----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:15:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.486294299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.246333399999997 0.000000000000000 c 0.000000000000000 0.000000000000000 5.747310709999999 Atomic positions (fractional): *1 Ge 0.36828060027907 0.10565243518829 0.60144982260631 72.640 2 Ge 0.13171939972093 0.39434756481171 0.10144982260631 72.640 3 Ge 0.63171939972093 0.10565243518829 0.89855017739369 72.640 4 Ge 0.86828060027907 0.39434756481171 0.39855017739368 72.640 5 Ge 0.63171939972093 0.89434756481171 0.39855017739368 72.640 6 Ge 0.86828060027907 0.60565243518829 0.89855017739369 72.640 7 Ge 0.36828060027907 0.89434756481171 0.10144982260631 72.640 8 Ge 0.13171939972093 0.60565243518829 0.60144982260631 72.640 *9 Ge 0.17860570969783 0.06549588999977 0.90993100711968 72.640 10 Ge 0.32139429030217 0.43450411000023 0.40993100711968 72.640 11 Ge 0.82139429030217 0.06549588999977 0.59006899288032 72.640 12 Ge 0.67860570969783 0.43450411000023 0.09006899288032 72.640 13 Ge 0.82139429030217 0.93450411000023 0.09006899288032 72.640 14 Ge 0.67860570969783 0.56549588999977 0.59006899288032 72.640 15 Ge 0.17860570969783 0.93450411000023 0.40993100711968 72.640 16 Ge 0.32139429030217 0.56549588999977 0.90993100711968 72.640 *17 Ge 0.42691592347596 0.71324985512890 0.54282738247377 72.640 18 Ge 0.07308407652404 0.78675014487110 0.04282738247377 72.640 19 Ge 0.57308407652404 0.71324985512890 0.95717261752623 72.640 20 Ge 0.92691592347596 0.78675014487110 0.45717261752623 72.640 21 Ge 0.57308407652404 0.28675014487110 0.45717261752623 72.640 22 Ge 0.92691592347596 0.21324985512890 0.95717261752623 72.640 23 Ge 0.42691592347596 0.28675014487110 0.04282738247377 72.640 24 Ge 0.07308407652404 0.21324985512890 0.54282738247377 72.640 *25 Os 0.50000000000000 0.92552666483610 0.75000000000000 190.230 26 Os 0.00000000000000 0.57447333516390 0.25000000000000 190.230 27 Os 0.50000000000000 0.07447333516390 0.25000000000000 190.230 28 Os 0.00000000000000 0.42552666483610 0.75000000000000 190.230 *29 Os 0.50000000000000 0.45987489354294 0.75000000000000 190.230 30 Os 0.00000000000000 0.04012510645706 0.25000000000000 190.230 31 Os 0.50000000000000 0.54012510645706 0.25000000000000 190.230 32 Os 0.00000000000000 0.95987489354294 0.75000000000000 190.230 *33 Os 0.25399423436039 0.31339883151813 0.76028196861682 190.230 34 Os 0.24600576563960 0.18660116848187 0.26028196861682 190.230 35 Os 0.74600576563960 0.31339883151813 0.73971803138318 190.230 36 Os 0.75399423436040 0.18660116848187 0.23971803138318 190.230 37 Os 0.74600576563960 0.68660116848187 0.23971803138318 190.230 38 Os 0.75399423436040 0.81339883151813 0.73971803138318 190.230 39 Os 0.25399423436039 0.68660116848187 0.26028196861682 190.230 40 Os 0.24600576563960 0.81339883151813 0.76028196861682 190.230 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.486294299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.246333399999997 0.000000000000000 c 0.000000000000000 0.000000000000000 5.747310709999999 Atomic positions (fractional): *1 Ge 0.36828060027907 0.10565243518829 0.60144982260631 72.640 > 1 2 Ge 0.13171939972093 0.39434756481171 0.10144982260631 72.640 > 2 3 Ge 0.63171939972093 0.10565243518829 0.89855017739369 72.640 > 3 4 Ge 0.86828060027907 0.39434756481171 0.39855017739368 72.640 > 4 5 Ge 0.63171939972093 0.89434756481171 0.39855017739368 72.640 > 5 6 Ge 0.86828060027907 0.60565243518829 0.89855017739369 72.640 > 6 7 Ge 0.36828060027907 0.89434756481171 0.10144982260631 72.640 > 7 8 Ge 0.13171939972093 0.60565243518829 0.60144982260631 72.640 > 8 *9 Ge 0.17860570969783 0.06549588999977 0.90993100711968 72.640 > 9 10 Ge 0.32139429030217 0.43450411000023 0.40993100711968 72.640 > 10 11 Ge 0.82139429030217 0.06549588999977 0.59006899288032 72.640 > 11 12 Ge 0.67860570969783 0.43450411000023 0.09006899288032 72.640 > 12 13 Ge 0.82139429030217 0.93450411000023 0.09006899288032 72.640 > 13 14 Ge 0.67860570969783 0.56549588999977 0.59006899288032 72.640 > 14 15 Ge 0.17860570969783 0.93450411000023 0.40993100711968 72.640 > 15 16 Ge 0.32139429030217 0.56549588999977 0.90993100711968 72.640 > 16 *17 Ge 0.42691592347596 0.71324985512890 0.54282738247377 72.640 > 17 18 Ge 0.07308407652404 0.78675014487110 0.04282738247377 72.640 > 18 19 Ge 0.57308407652404 0.71324985512890 0.95717261752623 72.640 > 19 20 Ge 0.92691592347596 0.78675014487110 0.45717261752623 72.640 > 20 21 Ge 0.57308407652404 0.28675014487110 0.45717261752623 72.640 > 21 22 Ge 0.92691592347596 0.21324985512890 0.95717261752623 72.640 > 22 23 Ge 0.42691592347596 0.28675014487110 0.04282738247377 72.640 > 23 24 Ge 0.07308407652404 0.21324985512890 0.54282738247377 72.640 > 24 *25 Os 0.50000000000000 0.92552666483610 0.75000000000000 190.230 > 25 26 Os 0.00000000000000 0.57447333516390 0.25000000000000 190.230 > 26 27 Os 0.50000000000000 0.07447333516390 0.25000000000000 190.230 > 27 28 Os 0.00000000000000 0.42552666483610 0.75000000000000 190.230 > 28 *29 Os 0.50000000000000 0.45987489354294 0.75000000000000 190.230 > 29 30 Os 0.00000000000000 0.04012510645706 0.25000000000000 190.230 > 30 31 Os 0.50000000000000 0.54012510645706 0.25000000000000 190.230 > 31 32 Os 0.00000000000000 0.95987489354294 0.75000000000000 190.230 > 32 *33 Os 0.25399423436039 0.31339883151813 0.76028196861682 190.230 > 33 34 Os 0.24600576563960 0.18660116848187 0.26028196861682 190.230 > 34 35 Os 0.74600576563960 0.31339883151813 0.73971803138318 190.230 > 35 36 Os 0.75399423436040 0.18660116848187 0.23971803138318 190.230 > 36 37 Os 0.74600576563960 0.68660116848187 0.23971803138318 190.230 > 37 38 Os 0.75399423436040 0.81339883151813 0.73971803138318 190.230 > 38 39 Os 0.25399423436039 0.68660116848187 0.26028196861682 190.230 > 39 40 Os 0.24600576563960 0.81339883151813 0.76028196861682 190.230 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.486294299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.246333399999997 0.000000000000000 c 0.000000000000000 0.000000000000000 11.494621419999998 Atomic positions (fractional): *1 Ge 0.36828060027907 0.10565243518829 0.30072491130316 72.640 > 1 2 Ge 0.36828060027907 0.10565243518829 0.80072491130316 72.640 > 1 3 Ge 0.13171939972093 0.39434756481171 0.05072491130316 72.640 > 2 4 Ge 0.13171939972093 0.39434756481171 0.55072491130316 72.640 > 2 5 Ge 0.63171939972093 0.10565243518829 0.44927508869684 72.640 > 3 6 Ge 0.63171939972093 0.10565243518829 0.94927508869684 72.640 > 3 7 Ge 0.86828060027907 0.39434756481171 0.19927508869684 72.640 > 4 8 Ge 0.86828060027907 0.39434756481171 0.69927508869684 72.640 > 4 9 Ge 0.63171939972093 0.89434756481171 0.19927508869684 72.640 > 5 10 Ge 0.63171939972093 0.89434756481171 0.69927508869684 72.640 > 5 11 Ge 0.86828060027907 0.60565243518829 0.44927508869684 72.640 > 6 12 Ge 0.86828060027907 0.60565243518829 0.94927508869684 72.640 > 6 13 Ge 0.36828060027907 0.89434756481171 0.05072491130316 72.640 > 7 14 Ge 0.36828060027907 0.89434756481171 0.55072491130316 72.640 > 7 15 Ge 0.13171939972093 0.60565243518829 0.30072491130316 72.640 > 8 16 Ge 0.13171939972093 0.60565243518829 0.80072491130316 72.640 > 8 *17 Ge 0.17860570969783 0.06549588999977 0.45496550355984 72.640 > 9 18 Ge 0.17860570969783 0.06549588999977 0.95496550355984 72.640 > 9 19 Ge 0.32139429030217 0.43450411000023 0.20496550355984 72.640 > 10 20 Ge 0.32139429030217 0.43450411000023 0.70496550355984 72.640 > 10 21 Ge 0.82139429030217 0.06549588999977 0.29503449644016 72.640 > 11 22 Ge 0.82139429030217 0.06549588999977 0.79503449644016 72.640 > 11 23 Ge 0.67860570969783 0.43450411000023 0.04503449644016 72.640 > 12 24 Ge 0.67860570969783 0.43450411000023 0.54503449644016 72.640 > 12 25 Ge 0.82139429030217 0.93450411000023 0.04503449644016 72.640 > 13 26 Ge 0.82139429030217 0.93450411000023 0.54503449644016 72.640 > 13 27 Ge 0.67860570969783 0.56549588999977 0.29503449644016 72.640 > 14 28 Ge 0.67860570969783 0.56549588999977 0.79503449644016 72.640 > 14 29 Ge 0.17860570969783 0.93450411000023 0.20496550355984 72.640 > 15 30 Ge 0.17860570969783 0.93450411000023 0.70496550355984 72.640 > 15 31 Ge 0.32139429030217 0.56549588999977 0.45496550355984 72.640 > 16 32 Ge 0.32139429030217 0.56549588999977 0.95496550355984 72.640 > 16 *33 Ge 0.42691592347596 0.71324985512890 0.27141369123689 72.640 > 17 34 Ge 0.42691592347596 0.71324985512890 0.77141369123688 72.640 > 17 35 Ge 0.07308407652404 0.78675014487110 0.02141369123688 72.640 > 18 36 Ge 0.07308407652404 0.78675014487110 0.52141369123688 72.640 > 18 37 Ge 0.57308407652404 0.71324985512890 0.47858630876311 72.640 > 19 38 Ge 0.57308407652404 0.71324985512890 0.97858630876312 72.640 > 19 39 Ge 0.92691592347596 0.78675014487110 0.22858630876312 72.640 > 20 40 Ge 0.92691592347596 0.78675014487110 0.72858630876312 72.640 > 20 41 Ge 0.57308407652404 0.28675014487110 0.22858630876312 72.640 > 21 42 Ge 0.57308407652404 0.28675014487110 0.72858630876312 72.640 > 21 43 Ge 0.92691592347596 0.21324985512890 0.47858630876311 72.640 > 22 44 Ge 0.92691592347596 0.21324985512890 0.97858630876312 72.640 > 22 45 Ge 0.42691592347596 0.28675014487110 0.02141369123688 72.640 > 23 46 Ge 0.42691592347596 0.28675014487110 0.52141369123688 72.640 > 23 47 Ge 0.07308407652404 0.21324985512890 0.27141369123689 72.640 > 24 48 Ge 0.07308407652404 0.21324985512890 0.77141369123688 72.640 > 24 *49 Os 0.50000000000000 0.92552666483610 0.37500000000000 190.230 > 25 50 Os 0.50000000000000 0.92552666483610 0.87500000000000 190.230 > 25 51 Os 0.00000000000000 0.57447333516390 0.12500000000000 190.230 > 26 52 Os 0.00000000000000 0.57447333516390 0.62500000000000 190.230 > 26 53 Os 0.50000000000000 0.07447333516390 0.12500000000000 190.230 > 27 54 Os 0.50000000000000 0.07447333516390 0.62500000000000 190.230 > 27 55 Os 0.00000000000000 0.42552666483610 0.37500000000000 190.230 > 28 56 Os 0.00000000000000 0.42552666483610 0.87500000000000 190.230 > 28 *57 Os 0.50000000000000 0.45987489354294 0.37500000000000 190.230 > 29 58 Os 0.50000000000000 0.45987489354294 0.87500000000000 190.230 > 29 59 Os 0.00000000000000 0.04012510645706 0.12500000000000 190.230 > 30 60 Os 0.00000000000000 0.04012510645706 0.62500000000000 190.230 > 30 61 Os 0.50000000000000 0.54012510645706 0.12500000000000 190.230 > 31 62 Os 0.50000000000000 0.54012510645706 0.62500000000000 190.230 > 31 63 Os 0.00000000000000 0.95987489354294 0.37500000000000 190.230 > 32 64 Os 0.00000000000000 0.95987489354294 0.87500000000000 190.230 > 32 *65 Os 0.25399423436039 0.31339883151813 0.38014098430841 190.230 > 33 66 Os 0.25399423436039 0.31339883151813 0.88014098430841 190.230 > 33 67 Os 0.24600576563960 0.18660116848187 0.13014098430841 190.230 > 34 68 Os 0.24600576563960 0.18660116848187 0.63014098430841 190.230 > 34 69 Os 0.74600576563960 0.31339883151813 0.36985901569159 190.230 > 35 70 Os 0.74600576563960 0.31339883151813 0.86985901569159 190.230 > 35 71 Os 0.75399423436040 0.18660116848187 0.11985901569159 190.230 > 36 72 Os 0.75399423436040 0.18660116848187 0.61985901569159 190.230 > 36 73 Os 0.74600576563960 0.68660116848187 0.11985901569159 190.230 > 37 74 Os 0.74600576563960 0.68660116848187 0.61985901569159 190.230 > 37 75 Os 0.75399423436040 0.81339883151813 0.36985901569159 190.230 > 38 76 Os 0.75399423436040 0.81339883151813 0.86985901569159 190.230 > 38 77 Os 0.25399423436039 0.68660116848187 0.13014098430841 190.230 > 39 78 Os 0.25399423436039 0.68660116848187 0.63014098430841 190.230 > 39 79 Os 0.24600576563960 0.81339883151813 0.38014098430841 190.230 > 40 80 Os 0.24600576563960 0.81339883151813 0.88014098430841 190.230 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 22.6804902 0.0000000 0.0000000 0.0000000 23.2042147 0.0000000 0.0000000 0.0000000 25.4689903 -------------------------- Born effective charges -------------------------- 1 Ge 4.1595948 -0.2962645 0.0119688 -0.4765829 4.4796170 -0.2322837 -0.2997655 -0.2399970 4.0687707 2 Ge 4.1595948 -0.2962645 -0.0119688 -0.4765829 4.4796170 0.2322837 0.2997655 0.2399970 4.0687707 3 Ge 4.1595948 0.2962645 0.0119688 0.4765829 4.4796170 0.2322837 -0.2997655 0.2399970 4.0687707 4 Ge 4.1595948 0.2962645 -0.0119688 0.4765829 4.4796170 -0.2322837 0.2997655 -0.2399970 4.0687707 5 Ge 4.1595948 -0.2962645 0.0119688 -0.4765829 4.4796170 -0.2322837 -0.2997655 -0.2399970 4.0687707 6 Ge 4.1595948 -0.2962645 -0.0119688 -0.4765829 4.4796170 0.2322837 0.2997655 0.2399970 4.0687707 7 Ge 4.1595948 0.2962645 0.0119688 0.4765829 4.4796170 0.2322837 -0.2997655 0.2399970 4.0687707 8 Ge 4.1595948 0.2962645 -0.0119688 0.4765829 4.4796170 -0.2322837 0.2997655 -0.2399970 4.0687707 9 Ge 3.8839237 0.4694553 -0.2520808 0.4424426 4.3098818 0.3001403 -0.3139681 0.1988928 3.9295118 10 Ge 3.8839237 0.4694553 0.2520808 0.4424426 4.3098818 -0.3001403 0.3139681 -0.1988928 3.9295118 11 Ge 3.8839237 -0.4694553 -0.2520808 -0.4424426 4.3098818 -0.3001403 -0.3139681 -0.1988928 3.9295118 12 Ge 3.8839237 -0.4694553 0.2520808 -0.4424426 4.3098818 0.3001403 0.3139681 0.1988928 3.9295118 13 Ge 3.8839237 0.4694553 -0.2520808 0.4424426 4.3098818 0.3001403 -0.3139681 0.1988928 3.9295118 14 Ge 3.8839237 0.4694553 0.2520808 0.4424426 4.3098818 -0.3001403 0.3139681 -0.1988928 3.9295118 15 Ge 3.8839237 -0.4694553 -0.2520808 -0.4424426 4.3098818 -0.3001403 -0.3139681 -0.1988928 3.9295118 16 Ge 3.8839237 -0.4694553 0.2520808 -0.4424426 4.3098818 0.3001403 0.3139681 0.1988928 3.9295118 17 Ge 3.9508397 -0.4298287 0.2882420 -0.5617553 4.3814211 0.4741656 0.2098254 0.2434498 4.0304246 18 Ge 3.9508397 -0.4298287 -0.2882420 -0.5617553 4.3814211 -0.4741656 -0.2098254 -0.2434498 4.0304246 19 Ge 3.9508397 0.4298287 0.2882420 0.5617553 4.3814211 -0.4741656 0.2098254 -0.2434498 4.0304246 20 Ge 3.9508397 0.4298287 -0.2882420 0.5617553 4.3814211 0.4741656 -0.2098254 0.2434498 4.0304246 21 Ge 3.9508397 -0.4298287 0.2882420 -0.5617553 4.3814211 0.4741656 0.2098254 0.2434498 4.0304246 22 Ge 3.9508397 -0.4298287 -0.2882420 -0.5617553 4.3814211 -0.4741656 -0.2098254 -0.2434498 4.0304246 23 Ge 3.9508397 0.4298287 0.2882420 0.5617553 4.3814211 -0.4741656 0.2098254 -0.2434498 4.0304246 24 Ge 3.9508397 0.4298287 -0.2882420 0.5617553 4.3814211 0.4741656 -0.2098254 0.2434498 4.0304246 25 Os -6.3379733 0.0000000 0.5105627 0.0000000 -6.0295765 0.0000000 0.4273654 0.0000000 -6.1472701 26 Os -6.3379733 0.0000000 -0.5105627 0.0000000 -6.0295765 0.0000000 -0.4273654 0.0000000 -6.1472701 27 Os -6.3379733 0.0000000 0.5105627 0.0000000 -6.0295765 0.0000000 0.4273654 0.0000000 -6.1472701 28 Os -6.3379733 0.0000000 -0.5105627 0.0000000 -6.0295765 0.0000000 -0.4273654 0.0000000 -6.1472701 29 Os -5.1429224 0.0000000 -0.8075602 0.0000000 -6.1517559 0.0000000 -0.6742866 0.0000000 -6.3975795 30 Os -5.1429224 0.0000000 0.8075602 0.0000000 -6.1517559 0.0000000 0.6742866 0.0000000 -6.3975795 31 Os -5.1429224 0.0000000 -0.8075602 0.0000000 -6.1517559 0.0000000 -0.6742866 0.0000000 -6.3975795 32 Os -5.1429224 0.0000000 0.8075602 0.0000000 -6.1517559 0.0000000 0.6742866 0.0000000 -6.3975795 33 Os -6.2539104 -0.6570004 -0.2719945 -0.1990708 -7.0802537 -0.1524959 -0.3699807 -0.1528186 -5.7562823 34 Os -6.2539104 -0.6570004 0.2719945 -0.1990708 -7.0802537 0.1524959 0.3699807 0.1528186 -5.7562823 35 Os -6.2539104 0.6570004 -0.2719945 0.1990708 -7.0802537 0.1524959 -0.3699807 0.1528186 -5.7562823 36 Os -6.2539104 0.6570004 0.2719945 0.1990708 -7.0802537 -0.1524959 0.3699807 -0.1528186 -5.7562823 37 Os -6.2539104 -0.6570004 -0.2719945 -0.1990708 -7.0802537 -0.1524959 -0.3699807 -0.1528186 -5.7562823 38 Os -6.2539104 -0.6570004 0.2719945 -0.1990708 -7.0802537 0.1524959 0.3699807 0.1528186 -5.7562823 39 Os -6.2539104 0.6570004 -0.2719945 0.1990708 -7.0802537 0.1524959 -0.3699807 0.1528186 -5.7562823 40 Os -6.2539104 0.6570004 0.2719945 0.1990708 -7.0802537 -0.1524959 0.3699807 -0.1528186 -5.7562823 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1894 Number of blocks in projector: 1894 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: 408 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 234 Use standard eigh solver. Tree of FC basis block matrices: - (1894, 1848), data: False |-- (234, 228), data: True |-- (234, 228), data: True |-- (234, 228), data: True |-- (392, 384), data: True |-- (392, 384), data: True |-- (408, 396), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.174 Solver_block: 200 / 640 - Time: 2.168 Solver_block: 300 / 640 - Time: 2.164 Solver_block: 400 / 640 - Time: 2.159 Solver_block: 500 / 640 - Time: 2.158 Solver_block: 600 / 640 - Time: 2.163 Solver_block: 640 / 640 - Time: 0.933 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.980 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1894 Number of blocks in projector: 1894 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: 408 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 234 Use standard eigh solver. Tree of FC basis block matrices: - (1894, 1848), data: False |-- (234, 228), data: True |-- (234, 228), data: True |-- (234, 228), data: True |-- (392, 384), data: True |-- (392, 384), data: True |-- (408, 396), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 02:16:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:16:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.486294299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.246333399999997 0.000000000000000 c 0.000000000000000 0.000000000000000 5.747310709999999 Atomic positions (fractional): 1 Ge 0.36828060027907 0.10565243518829 0.60144982260631 72.640 2 Ge 0.13171939972093 0.39434756481171 0.10144982260631 72.640 3 Ge 0.63171939972093 0.10565243518829 0.89855017739369 72.640 4 Ge 0.86828060027907 0.39434756481171 0.39855017739368 72.640 5 Ge 0.63171939972093 0.89434756481171 0.39855017739368 72.640 6 Ge 0.86828060027907 0.60565243518829 0.89855017739369 72.640 7 Ge 0.36828060027907 0.89434756481171 0.10144982260631 72.640 8 Ge 0.13171939972093 0.60565243518829 0.60144982260631 72.640 9 Ge 0.17860570969783 0.06549588999977 0.90993100711968 72.640 10 Ge 0.32139429030217 0.43450411000023 0.40993100711968 72.640 11 Ge 0.82139429030217 0.06549588999977 0.59006899288032 72.640 12 Ge 0.67860570969783 0.43450411000023 0.09006899288032 72.640 13 Ge 0.82139429030217 0.93450411000023 0.09006899288032 72.640 14 Ge 0.67860570969783 0.56549588999977 0.59006899288032 72.640 15 Ge 0.17860570969783 0.93450411000023 0.40993100711968 72.640 16 Ge 0.32139429030217 0.56549588999977 0.90993100711968 72.640 17 Ge 0.42691592347596 0.71324985512890 0.54282738247377 72.640 18 Ge 0.07308407652404 0.78675014487110 0.04282738247377 72.640 19 Ge 0.57308407652404 0.71324985512890 0.95717261752623 72.640 20 Ge 0.92691592347596 0.78675014487110 0.45717261752623 72.640 21 Ge 0.57308407652404 0.28675014487110 0.45717261752623 72.640 22 Ge 0.92691592347596 0.21324985512890 0.95717261752623 72.640 23 Ge 0.42691592347596 0.28675014487110 0.04282738247377 72.640 24 Ge 0.07308407652404 0.21324985512890 0.54282738247377 72.640 25 Os 0.50000000000000 0.92552666483610 0.75000000000000 190.230 26 Os 0.00000000000000 0.57447333516390 0.25000000000000 190.230 27 Os 0.50000000000000 0.07447333516390 0.25000000000000 190.230 28 Os 0.00000000000000 0.42552666483610 0.75000000000000 190.230 29 Os 0.50000000000000 0.45987489354294 0.75000000000000 190.230 30 Os 0.00000000000000 0.04012510645706 0.25000000000000 190.230 31 Os 0.50000000000000 0.54012510645706 0.25000000000000 190.230 32 Os 0.00000000000000 0.95987489354294 0.75000000000000 190.230 33 Os 0.25399423436039 0.31339883151813 0.76028196861682 190.230 34 Os 0.24600576563960 0.18660116848187 0.26028196861682 190.230 35 Os 0.74600576563960 0.31339883151813 0.73971803138318 190.230 36 Os 0.75399423436040 0.18660116848187 0.23971803138318 190.230 37 Os 0.74600576563960 0.68660116848187 0.23971803138318 190.230 38 Os 0.75399423436040 0.81339883151813 0.73971803138318 190.230 39 Os 0.25399423436039 0.68660116848187 0.26028196861682 190.230 40 Os 0.24600576563960 0.81339883151813 0.76028196861682 190.230 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.486294299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.246333399999997 0.000000000000000 c 0.000000000000000 0.000000000000000 11.494621419999998 Atomic positions (fractional): 1 Ge 0.36828060027907 0.10565243518829 0.30072491130316 72.640 > 1 2 Ge 0.36828060027907 0.10565243518829 0.80072491130316 72.640 > 1 3 Ge 0.13171939972093 0.39434756481171 0.05072491130316 72.640 > 3 4 Ge 0.13171939972093 0.39434756481171 0.55072491130316 72.640 > 3 5 Ge 0.63171939972093 0.10565243518829 0.44927508869684 72.640 > 5 6 Ge 0.63171939972093 0.10565243518829 0.94927508869684 72.640 > 5 7 Ge 0.86828060027907 0.39434756481171 0.19927508869684 72.640 > 7 8 Ge 0.86828060027907 0.39434756481171 0.69927508869684 72.640 > 7 9 Ge 0.63171939972093 0.89434756481171 0.19927508869684 72.640 > 9 10 Ge 0.63171939972093 0.89434756481171 0.69927508869684 72.640 > 9 11 Ge 0.86828060027907 0.60565243518829 0.44927508869684 72.640 > 11 12 Ge 0.86828060027907 0.60565243518829 0.94927508869684 72.640 > 11 13 Ge 0.36828060027907 0.89434756481171 0.05072491130316 72.640 > 13 14 Ge 0.36828060027907 0.89434756481171 0.55072491130316 72.640 > 13 15 Ge 0.13171939972093 0.60565243518829 0.30072491130316 72.640 > 15 16 Ge 0.13171939972093 0.60565243518829 0.80072491130316 72.640 > 15 17 Ge 0.17860570969783 0.06549588999977 0.45496550355984 72.640 > 17 18 Ge 0.17860570969783 0.06549588999977 0.95496550355984 72.640 > 17 19 Ge 0.32139429030217 0.43450411000023 0.20496550355984 72.640 > 19 20 Ge 0.32139429030217 0.43450411000023 0.70496550355984 72.640 > 19 21 Ge 0.82139429030217 0.06549588999977 0.29503449644016 72.640 > 21 22 Ge 0.82139429030217 0.06549588999977 0.79503449644016 72.640 > 21 23 Ge 0.67860570969783 0.43450411000023 0.04503449644016 72.640 > 23 24 Ge 0.67860570969783 0.43450411000023 0.54503449644016 72.640 > 23 25 Ge 0.82139429030217 0.93450411000023 0.04503449644016 72.640 > 25 26 Ge 0.82139429030217 0.93450411000023 0.54503449644016 72.640 > 25 27 Ge 0.67860570969783 0.56549588999977 0.29503449644016 72.640 > 27 28 Ge 0.67860570969783 0.56549588999977 0.79503449644016 72.640 > 27 29 Ge 0.17860570969783 0.93450411000023 0.20496550355984 72.640 > 29 30 Ge 0.17860570969783 0.93450411000023 0.70496550355984 72.640 > 29 31 Ge 0.32139429030217 0.56549588999977 0.45496550355984 72.640 > 31 32 Ge 0.32139429030217 0.56549588999977 0.95496550355984 72.640 > 31 33 Ge 0.42691592347596 0.71324985512890 0.27141369123689 72.640 > 33 34 Ge 0.42691592347596 0.71324985512890 0.77141369123688 72.640 > 33 35 Ge 0.07308407652404 0.78675014487110 0.02141369123688 72.640 > 35 36 Ge 0.07308407652404 0.78675014487110 0.52141369123688 72.640 > 35 37 Ge 0.57308407652404 0.71324985512890 0.47858630876311 72.640 > 37 38 Ge 0.57308407652404 0.71324985512890 0.97858630876312 72.640 > 37 39 Ge 0.92691592347596 0.78675014487110 0.22858630876312 72.640 > 39 40 Ge 0.92691592347596 0.78675014487110 0.72858630876312 72.640 > 39 41 Ge 0.57308407652404 0.28675014487110 0.22858630876312 72.640 > 41 42 Ge 0.57308407652404 0.28675014487110 0.72858630876312 72.640 > 41 43 Ge 0.92691592347596 0.21324985512890 0.47858630876311 72.640 > 43 44 Ge 0.92691592347596 0.21324985512890 0.97858630876312 72.640 > 43 45 Ge 0.42691592347596 0.28675014487110 0.02141369123688 72.640 > 45 46 Ge 0.42691592347596 0.28675014487110 0.52141369123688 72.640 > 45 47 Ge 0.07308407652404 0.21324985512890 0.27141369123689 72.640 > 47 48 Ge 0.07308407652404 0.21324985512890 0.77141369123688 72.640 > 47 49 Os 0.50000000000000 0.92552666483610 0.37500000000000 190.230 > 49 50 Os 0.50000000000000 0.92552666483610 0.87500000000000 190.230 > 49 51 Os 0.00000000000000 0.57447333516390 0.12500000000000 190.230 > 51 52 Os 0.00000000000000 0.57447333516390 0.62500000000000 190.230 > 51 53 Os 0.50000000000000 0.07447333516390 0.12500000000000 190.230 > 53 54 Os 0.50000000000000 0.07447333516390 0.62500000000000 190.230 > 53 55 Os 0.00000000000000 0.42552666483610 0.37500000000000 190.230 > 55 56 Os 0.00000000000000 0.42552666483610 0.87500000000000 190.230 > 55 57 Os 0.50000000000000 0.45987489354294 0.37500000000000 190.230 > 57 58 Os 0.50000000000000 0.45987489354294 0.87500000000000 190.230 > 57 59 Os 0.00000000000000 0.04012510645706 0.12500000000000 190.230 > 59 60 Os 0.00000000000000 0.04012510645706 0.62500000000000 190.230 > 59 61 Os 0.50000000000000 0.54012510645706 0.12500000000000 190.230 > 61 62 Os 0.50000000000000 0.54012510645706 0.62500000000000 190.230 > 61 63 Os 0.00000000000000 0.95987489354294 0.37500000000000 190.230 > 63 64 Os 0.00000000000000 0.95987489354294 0.87500000000000 190.230 > 63 65 Os 0.25399423436039 0.31339883151813 0.38014098430841 190.230 > 65 66 Os 0.25399423436039 0.31339883151813 0.88014098430841 190.230 > 65 67 Os 0.24600576563960 0.18660116848187 0.13014098430841 190.230 > 67 68 Os 0.24600576563960 0.18660116848187 0.63014098430841 190.230 > 67 69 Os 0.74600576563960 0.31339883151813 0.36985901569159 190.230 > 69 70 Os 0.74600576563960 0.31339883151813 0.86985901569159 190.230 > 69 71 Os 0.75399423436040 0.18660116848187 0.11985901569159 190.230 > 71 72 Os 0.75399423436040 0.18660116848187 0.61985901569159 190.230 > 71 73 Os 0.74600576563960 0.68660116848187 0.11985901569159 190.230 > 73 74 Os 0.74600576563960 0.68660116848187 0.61985901569159 190.230 > 73 75 Os 0.75399423436040 0.81339883151813 0.36985901569159 190.230 > 75 76 Os 0.75399423436040 0.81339883151813 0.86985901569159 190.230 > 75 77 Os 0.25399423436039 0.68660116848187 0.13014098430841 190.230 > 77 78 Os 0.25399423436039 0.68660116848187 0.63014098430841 190.230 > 77 79 Os 0.24600576563960 0.81339883151813 0.38014098430841 190.230 > 79 80 Os 0.24600576563960 0.81339883151813 0.88014098430841 190.230 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 22.6804902 0.0000000 0.0000000 0.0000000 23.2042147 0.0000000 0.0000000 0.0000000 25.4689903 -------------------------- Born effective charges -------------------------- 1 Ge 4.1595948 -0.2962645 0.0119688 -0.4765829 4.4796170 -0.2322837 -0.2997655 -0.2399970 4.0687707 2 Ge 4.1595948 -0.2962645 -0.0119688 -0.4765829 4.4796170 0.2322837 0.2997655 0.2399970 4.0687707 3 Ge 4.1595948 0.2962645 0.0119688 0.4765829 4.4796170 0.2322837 -0.2997655 0.2399970 4.0687707 4 Ge 4.1595948 0.2962645 -0.0119688 0.4765829 4.4796170 -0.2322837 0.2997655 -0.2399970 4.0687707 5 Ge 4.1595948 -0.2962645 0.0119688 -0.4765829 4.4796170 -0.2322837 -0.2997655 -0.2399970 4.0687707 6 Ge 4.1595948 -0.2962645 -0.0119688 -0.4765829 4.4796170 0.2322837 0.2997655 0.2399970 4.0687707 7 Ge 4.1595948 0.2962645 0.0119688 0.4765829 4.4796170 0.2322837 -0.2997655 0.2399970 4.0687707 8 Ge 4.1595948 0.2962645 -0.0119688 0.4765829 4.4796170 -0.2322837 0.2997655 -0.2399970 4.0687707 9 Ge 3.8839237 0.4694553 -0.2520808 0.4424426 4.3098818 0.3001403 -0.3139681 0.1988928 3.9295118 10 Ge 3.8839237 0.4694553 0.2520808 0.4424426 4.3098818 -0.3001403 0.3139681 -0.1988928 3.9295118 11 Ge 3.8839237 -0.4694553 -0.2520808 -0.4424426 4.3098818 -0.3001403 -0.3139681 -0.1988928 3.9295118 12 Ge 3.8839237 -0.4694553 0.2520808 -0.4424426 4.3098818 0.3001403 0.3139681 0.1988928 3.9295118 13 Ge 3.8839237 0.4694553 -0.2520808 0.4424426 4.3098818 0.3001403 -0.3139681 0.1988928 3.9295118 14 Ge 3.8839237 0.4694553 0.2520808 0.4424426 4.3098818 -0.3001403 0.3139681 -0.1988928 3.9295118 15 Ge 3.8839237 -0.4694553 -0.2520808 -0.4424426 4.3098818 -0.3001403 -0.3139681 -0.1988928 3.9295118 16 Ge 3.8839237 -0.4694553 0.2520808 -0.4424426 4.3098818 0.3001403 0.3139681 0.1988928 3.9295118 17 Ge 3.9508397 -0.4298287 0.2882420 -0.5617553 4.3814211 0.4741656 0.2098254 0.2434498 4.0304246 18 Ge 3.9508397 -0.4298287 -0.2882420 -0.5617553 4.3814211 -0.4741656 -0.2098254 -0.2434498 4.0304246 19 Ge 3.9508397 0.4298287 0.2882420 0.5617553 4.3814211 -0.4741656 0.2098254 -0.2434498 4.0304246 20 Ge 3.9508397 0.4298287 -0.2882420 0.5617553 4.3814211 0.4741656 -0.2098254 0.2434498 4.0304246 21 Ge 3.9508397 -0.4298287 0.2882420 -0.5617553 4.3814211 0.4741656 0.2098254 0.2434498 4.0304246 22 Ge 3.9508397 -0.4298287 -0.2882420 -0.5617553 4.3814211 -0.4741656 -0.2098254 -0.2434498 4.0304246 23 Ge 3.9508397 0.4298287 0.2882420 0.5617553 4.3814211 -0.4741656 0.2098254 -0.2434498 4.0304246 24 Ge 3.9508397 0.4298287 -0.2882420 0.5617553 4.3814211 0.4741656 -0.2098254 0.2434498 4.0304246 25 Os -6.3379733 0.0000000 0.5105627 0.0000000 -6.0295765 0.0000000 0.4273654 0.0000000 -6.1472701 26 Os -6.3379733 0.0000000 -0.5105627 0.0000000 -6.0295765 0.0000000 -0.4273654 0.0000000 -6.1472701 27 Os -6.3379733 0.0000000 0.5105627 0.0000000 -6.0295765 0.0000000 0.4273654 0.0000000 -6.1472701 28 Os -6.3379733 0.0000000 -0.5105627 0.0000000 -6.0295765 0.0000000 -0.4273654 0.0000000 -6.1472701 29 Os -5.1429224 0.0000000 -0.8075602 0.0000000 -6.1517559 0.0000000 -0.6742866 0.0000000 -6.3975795 30 Os -5.1429224 0.0000000 0.8075602 0.0000000 -6.1517559 0.0000000 0.6742866 0.0000000 -6.3975795 31 Os -5.1429224 0.0000000 -0.8075602 0.0000000 -6.1517559 0.0000000 -0.6742866 0.0000000 -6.3975795 32 Os -5.1429224 0.0000000 0.8075602 0.0000000 -6.1517559 0.0000000 0.6742866 0.0000000 -6.3975795 33 Os -6.2539104 -0.6570004 -0.2719945 -0.1990708 -7.0802537 -0.1524959 -0.3699807 -0.1528186 -5.7562823 34 Os -6.2539104 -0.6570004 0.2719945 -0.1990708 -7.0802537 0.1524959 0.3699807 0.1528186 -5.7562823 35 Os -6.2539104 0.6570004 -0.2719945 0.1990708 -7.0802537 0.1524959 -0.3699807 0.1528186 -5.7562823 36 Os -6.2539104 0.6570004 0.2719945 0.1990708 -7.0802537 -0.1524959 0.3699807 -0.1528186 -5.7562823 37 Os -6.2539104 -0.6570004 -0.2719945 -0.1990708 -7.0802537 -0.1524959 -0.3699807 -0.1528186 -5.7562823 38 Os -6.2539104 -0.6570004 0.2719945 -0.1990708 -7.0802537 0.1524959 0.3699807 0.1528186 -5.7562823 39 Os -6.2539104 0.6570004 -0.2719945 0.1990708 -7.0802537 0.1524959 -0.3699807 0.1528186 -5.7562823 40 Os -6.2539104 0.6570004 0.2719945 0.1990708 -7.0802537 -0.1524959 0.3699807 -0.1528186 -5.7562823 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) 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 02:16:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:16:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.486294299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.246333399999997 0.000000000000000 c 0.000000000000000 0.000000000000000 5.747310709999999 Atomic positions (fractional): 1 Ge 0.36828060027907 0.10565243518829 0.60144982260631 72.640 2 Ge 0.13171939972093 0.39434756481171 0.10144982260631 72.640 3 Ge 0.63171939972093 0.10565243518829 0.89855017739369 72.640 4 Ge 0.86828060027907 0.39434756481171 0.39855017739368 72.640 5 Ge 0.63171939972093 0.89434756481171 0.39855017739368 72.640 6 Ge 0.86828060027907 0.60565243518829 0.89855017739369 72.640 7 Ge 0.36828060027907 0.89434756481171 0.10144982260631 72.640 8 Ge 0.13171939972093 0.60565243518829 0.60144982260631 72.640 9 Ge 0.17860570969783 0.06549588999977 0.90993100711968 72.640 10 Ge 0.32139429030217 0.43450411000023 0.40993100711968 72.640 11 Ge 0.82139429030217 0.06549588999977 0.59006899288032 72.640 12 Ge 0.67860570969783 0.43450411000023 0.09006899288032 72.640 13 Ge 0.82139429030217 0.93450411000023 0.09006899288032 72.640 14 Ge 0.67860570969783 0.56549588999977 0.59006899288032 72.640 15 Ge 0.17860570969783 0.93450411000023 0.40993100711968 72.640 16 Ge 0.32139429030217 0.56549588999977 0.90993100711968 72.640 17 Ge 0.42691592347596 0.71324985512890 0.54282738247377 72.640 18 Ge 0.07308407652404 0.78675014487110 0.04282738247377 72.640 19 Ge 0.57308407652404 0.71324985512890 0.95717261752623 72.640 20 Ge 0.92691592347596 0.78675014487110 0.45717261752623 72.640 21 Ge 0.57308407652404 0.28675014487110 0.45717261752623 72.640 22 Ge 0.92691592347596 0.21324985512890 0.95717261752623 72.640 23 Ge 0.42691592347596 0.28675014487110 0.04282738247377 72.640 24 Ge 0.07308407652404 0.21324985512890 0.54282738247377 72.640 25 Os 0.50000000000000 0.92552666483610 0.75000000000000 190.230 26 Os 0.00000000000000 0.57447333516390 0.25000000000000 190.230 27 Os 0.50000000000000 0.07447333516390 0.25000000000000 190.230 28 Os 0.00000000000000 0.42552666483610 0.75000000000000 190.230 29 Os 0.50000000000000 0.45987489354294 0.75000000000000 190.230 30 Os 0.00000000000000 0.04012510645706 0.25000000000000 190.230 31 Os 0.50000000000000 0.54012510645706 0.25000000000000 190.230 32 Os 0.00000000000000 0.95987489354294 0.75000000000000 190.230 33 Os 0.25399423436039 0.31339883151813 0.76028196861682 190.230 34 Os 0.24600576563960 0.18660116848187 0.26028196861682 190.230 35 Os 0.74600576563960 0.31339883151813 0.73971803138318 190.230 36 Os 0.75399423436040 0.18660116848187 0.23971803138318 190.230 37 Os 0.74600576563960 0.68660116848187 0.23971803138318 190.230 38 Os 0.75399423436040 0.81339883151813 0.73971803138318 190.230 39 Os 0.25399423436039 0.68660116848187 0.26028196861682 190.230 40 Os 0.24600576563960 0.81339883151813 0.76028196861682 190.230 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.486294299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.246333399999997 0.000000000000000 c 0.000000000000000 0.000000000000000 11.494621419999998 Atomic positions (fractional): 1 Ge 0.36828060027907 0.10565243518829 0.30072491130316 72.640 > 1 2 Ge 0.36828060027907 0.10565243518829 0.80072491130316 72.640 > 1 3 Ge 0.13171939972093 0.39434756481171 0.05072491130316 72.640 > 3 4 Ge 0.13171939972093 0.39434756481171 0.55072491130316 72.640 > 3 5 Ge 0.63171939972093 0.10565243518829 0.44927508869684 72.640 > 5 6 Ge 0.63171939972093 0.10565243518829 0.94927508869684 72.640 > 5 7 Ge 0.86828060027907 0.39434756481171 0.19927508869684 72.640 > 7 8 Ge 0.86828060027907 0.39434756481171 0.69927508869684 72.640 > 7 9 Ge 0.63171939972093 0.89434756481171 0.19927508869684 72.640 > 9 10 Ge 0.63171939972093 0.89434756481171 0.69927508869684 72.640 > 9 11 Ge 0.86828060027907 0.60565243518829 0.44927508869684 72.640 > 11 12 Ge 0.86828060027907 0.60565243518829 0.94927508869684 72.640 > 11 13 Ge 0.36828060027907 0.89434756481171 0.05072491130316 72.640 > 13 14 Ge 0.36828060027907 0.89434756481171 0.55072491130316 72.640 > 13 15 Ge 0.13171939972093 0.60565243518829 0.30072491130316 72.640 > 15 16 Ge 0.13171939972093 0.60565243518829 0.80072491130316 72.640 > 15 17 Ge 0.17860570969783 0.06549588999977 0.45496550355984 72.640 > 17 18 Ge 0.17860570969783 0.06549588999977 0.95496550355984 72.640 > 17 19 Ge 0.32139429030217 0.43450411000023 0.20496550355984 72.640 > 19 20 Ge 0.32139429030217 0.43450411000023 0.70496550355984 72.640 > 19 21 Ge 0.82139429030217 0.06549588999977 0.29503449644016 72.640 > 21 22 Ge 0.82139429030217 0.06549588999977 0.79503449644016 72.640 > 21 23 Ge 0.67860570969783 0.43450411000023 0.04503449644016 72.640 > 23 24 Ge 0.67860570969783 0.43450411000023 0.54503449644016 72.640 > 23 25 Ge 0.82139429030217 0.93450411000023 0.04503449644016 72.640 > 25 26 Ge 0.82139429030217 0.93450411000023 0.54503449644016 72.640 > 25 27 Ge 0.67860570969783 0.56549588999977 0.29503449644016 72.640 > 27 28 Ge 0.67860570969783 0.56549588999977 0.79503449644016 72.640 > 27 29 Ge 0.17860570969783 0.93450411000023 0.20496550355984 72.640 > 29 30 Ge 0.17860570969783 0.93450411000023 0.70496550355984 72.640 > 29 31 Ge 0.32139429030217 0.56549588999977 0.45496550355984 72.640 > 31 32 Ge 0.32139429030217 0.56549588999977 0.95496550355984 72.640 > 31 33 Ge 0.42691592347596 0.71324985512890 0.27141369123689 72.640 > 33 34 Ge 0.42691592347596 0.71324985512890 0.77141369123688 72.640 > 33 35 Ge 0.07308407652404 0.78675014487110 0.02141369123688 72.640 > 35 36 Ge 0.07308407652404 0.78675014487110 0.52141369123688 72.640 > 35 37 Ge 0.57308407652404 0.71324985512890 0.47858630876311 72.640 > 37 38 Ge 0.57308407652404 0.71324985512890 0.97858630876312 72.640 > 37 39 Ge 0.92691592347596 0.78675014487110 0.22858630876312 72.640 > 39 40 Ge 0.92691592347596 0.78675014487110 0.72858630876312 72.640 > 39 41 Ge 0.57308407652404 0.28675014487110 0.22858630876312 72.640 > 41 42 Ge 0.57308407652404 0.28675014487110 0.72858630876312 72.640 > 41 43 Ge 0.92691592347596 0.21324985512890 0.47858630876311 72.640 > 43 44 Ge 0.92691592347596 0.21324985512890 0.97858630876312 72.640 > 43 45 Ge 0.42691592347596 0.28675014487110 0.02141369123688 72.640 > 45 46 Ge 0.42691592347596 0.28675014487110 0.52141369123688 72.640 > 45 47 Ge 0.07308407652404 0.21324985512890 0.27141369123689 72.640 > 47 48 Ge 0.07308407652404 0.21324985512890 0.77141369123688 72.640 > 47 49 Os 0.50000000000000 0.92552666483610 0.37500000000000 190.230 > 49 50 Os 0.50000000000000 0.92552666483610 0.87500000000000 190.230 > 49 51 Os 0.00000000000000 0.57447333516390 0.12500000000000 190.230 > 51 52 Os 0.00000000000000 0.57447333516390 0.62500000000000 190.230 > 51 53 Os 0.50000000000000 0.07447333516390 0.12500000000000 190.230 > 53 54 Os 0.50000000000000 0.07447333516390 0.62500000000000 190.230 > 53 55 Os 0.00000000000000 0.42552666483610 0.37500000000000 190.230 > 55 56 Os 0.00000000000000 0.42552666483610 0.87500000000000 190.230 > 55 57 Os 0.50000000000000 0.45987489354294 0.37500000000000 190.230 > 57 58 Os 0.50000000000000 0.45987489354294 0.87500000000000 190.230 > 57 59 Os 0.00000000000000 0.04012510645706 0.12500000000000 190.230 > 59 60 Os 0.00000000000000 0.04012510645706 0.62500000000000 190.230 > 59 61 Os 0.50000000000000 0.54012510645706 0.12500000000000 190.230 > 61 62 Os 0.50000000000000 0.54012510645706 0.62500000000000 190.230 > 61 63 Os 0.00000000000000 0.95987489354294 0.37500000000000 190.230 > 63 64 Os 0.00000000000000 0.95987489354294 0.87500000000000 190.230 > 63 65 Os 0.25399423436039 0.31339883151813 0.38014098430841 190.230 > 65 66 Os 0.25399423436039 0.31339883151813 0.88014098430841 190.230 > 65 67 Os 0.24600576563960 0.18660116848187 0.13014098430841 190.230 > 67 68 Os 0.24600576563960 0.18660116848187 0.63014098430841 190.230 > 67 69 Os 0.74600576563960 0.31339883151813 0.36985901569159 190.230 > 69 70 Os 0.74600576563960 0.31339883151813 0.86985901569159 190.230 > 69 71 Os 0.75399423436040 0.18660116848187 0.11985901569159 190.230 > 71 72 Os 0.75399423436040 0.18660116848187 0.61985901569159 190.230 > 71 73 Os 0.74600576563960 0.68660116848187 0.11985901569159 190.230 > 73 74 Os 0.74600576563960 0.68660116848187 0.61985901569159 190.230 > 73 75 Os 0.75399423436040 0.81339883151813 0.36985901569159 190.230 > 75 76 Os 0.75399423436040 0.81339883151813 0.86985901569159 190.230 > 75 77 Os 0.25399423436039 0.68660116848187 0.13014098430841 190.230 > 77 78 Os 0.25399423436039 0.68660116848187 0.63014098430841 190.230 > 77 79 Os 0.24600576563960 0.81339883151813 0.38014098430841 190.230 > 79 80 Os 0.24600576563960 0.81339883151813 0.88014098430841 190.230 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 22.6804902 0.0000000 0.0000000 0.0000000 23.2042147 0.0000000 0.0000000 0.0000000 25.4689903 -------------------------- Born effective charges -------------------------- 1 Ge 4.1595948 -0.2962645 0.0119688 -0.4765829 4.4796170 -0.2322837 -0.2997655 -0.2399970 4.0687707 2 Ge 4.1595948 -0.2962645 -0.0119688 -0.4765829 4.4796170 0.2322837 0.2997655 0.2399970 4.0687707 3 Ge 4.1595948 0.2962645 0.0119688 0.4765829 4.4796170 0.2322837 -0.2997655 0.2399970 4.0687707 4 Ge 4.1595948 0.2962645 -0.0119688 0.4765829 4.4796170 -0.2322837 0.2997655 -0.2399970 4.0687707 5 Ge 4.1595948 -0.2962645 0.0119688 -0.4765829 4.4796170 -0.2322837 -0.2997655 -0.2399970 4.0687707 6 Ge 4.1595948 -0.2962645 -0.0119688 -0.4765829 4.4796170 0.2322837 0.2997655 0.2399970 4.0687707 7 Ge 4.1595948 0.2962645 0.0119688 0.4765829 4.4796170 0.2322837 -0.2997655 0.2399970 4.0687707 8 Ge 4.1595948 0.2962645 -0.0119688 0.4765829 4.4796170 -0.2322837 0.2997655 -0.2399970 4.0687707 9 Ge 3.8839237 0.4694553 -0.2520808 0.4424426 4.3098818 0.3001403 -0.3139681 0.1988928 3.9295118 10 Ge 3.8839237 0.4694553 0.2520808 0.4424426 4.3098818 -0.3001403 0.3139681 -0.1988928 3.9295118 11 Ge 3.8839237 -0.4694553 -0.2520808 -0.4424426 4.3098818 -0.3001403 -0.3139681 -0.1988928 3.9295118 12 Ge 3.8839237 -0.4694553 0.2520808 -0.4424426 4.3098818 0.3001403 0.3139681 0.1988928 3.9295118 13 Ge 3.8839237 0.4694553 -0.2520808 0.4424426 4.3098818 0.3001403 -0.3139681 0.1988928 3.9295118 14 Ge 3.8839237 0.4694553 0.2520808 0.4424426 4.3098818 -0.3001403 0.3139681 -0.1988928 3.9295118 15 Ge 3.8839237 -0.4694553 -0.2520808 -0.4424426 4.3098818 -0.3001403 -0.3139681 -0.1988928 3.9295118 16 Ge 3.8839237 -0.4694553 0.2520808 -0.4424426 4.3098818 0.3001403 0.3139681 0.1988928 3.9295118 17 Ge 3.9508397 -0.4298287 0.2882420 -0.5617553 4.3814211 0.4741656 0.2098254 0.2434498 4.0304246 18 Ge 3.9508397 -0.4298287 -0.2882420 -0.5617553 4.3814211 -0.4741656 -0.2098254 -0.2434498 4.0304246 19 Ge 3.9508397 0.4298287 0.2882420 0.5617553 4.3814211 -0.4741656 0.2098254 -0.2434498 4.0304246 20 Ge 3.9508397 0.4298287 -0.2882420 0.5617553 4.3814211 0.4741656 -0.2098254 0.2434498 4.0304246 21 Ge 3.9508397 -0.4298287 0.2882420 -0.5617553 4.3814211 0.4741656 0.2098254 0.2434498 4.0304246 22 Ge 3.9508397 -0.4298287 -0.2882420 -0.5617553 4.3814211 -0.4741656 -0.2098254 -0.2434498 4.0304246 23 Ge 3.9508397 0.4298287 0.2882420 0.5617553 4.3814211 -0.4741656 0.2098254 -0.2434498 4.0304246 24 Ge 3.9508397 0.4298287 -0.2882420 0.5617553 4.3814211 0.4741656 -0.2098254 0.2434498 4.0304246 25 Os -6.3379733 0.0000000 0.5105627 0.0000000 -6.0295765 0.0000000 0.4273654 0.0000000 -6.1472701 26 Os -6.3379733 0.0000000 -0.5105627 0.0000000 -6.0295765 0.0000000 -0.4273654 0.0000000 -6.1472701 27 Os -6.3379733 0.0000000 0.5105627 0.0000000 -6.0295765 0.0000000 0.4273654 0.0000000 -6.1472701 28 Os -6.3379733 0.0000000 -0.5105627 0.0000000 -6.0295765 0.0000000 -0.4273654 0.0000000 -6.1472701 29 Os -5.1429224 0.0000000 -0.8075602 0.0000000 -6.1517559 0.0000000 -0.6742866 0.0000000 -6.3975795 30 Os -5.1429224 0.0000000 0.8075602 0.0000000 -6.1517559 0.0000000 0.6742866 0.0000000 -6.3975795 31 Os -5.1429224 0.0000000 -0.8075602 0.0000000 -6.1517559 0.0000000 -0.6742866 0.0000000 -6.3975795 32 Os -5.1429224 0.0000000 0.8075602 0.0000000 -6.1517559 0.0000000 0.6742866 0.0000000 -6.3975795 33 Os -6.2539104 -0.6570004 -0.2719945 -0.1990708 -7.0802537 -0.1524959 -0.3699807 -0.1528186 -5.7562823 34 Os -6.2539104 -0.6570004 0.2719945 -0.1990708 -7.0802537 0.1524959 0.3699807 0.1528186 -5.7562823 35 Os -6.2539104 0.6570004 -0.2719945 0.1990708 -7.0802537 0.1524959 -0.3699807 0.1528186 -5.7562823 36 Os -6.2539104 0.6570004 0.2719945 0.1990708 -7.0802537 -0.1524959 0.3699807 -0.1528186 -5.7562823 37 Os -6.2539104 -0.6570004 -0.2719945 -0.1990708 -7.0802537 -0.1524959 -0.3699807 -0.1528186 -5.7562823 38 Os -6.2539104 -0.6570004 0.2719945 -0.1990708 -7.0802537 0.1524959 0.3699807 0.1528186 -5.7562823 39 Os -6.2539104 0.6570004 -0.2719945 0.1990708 -7.0802537 0.1524959 -0.3699807 0.1528186 -5.7562823 40 Os -6.2539104 0.6570004 0.2719945 0.1990708 -7.0802537 -0.1524959 0.3699807 -0.1528186 -5.7562823 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 5 9 ] 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: 0.49, Number of G-points: 307, Lambda: 0.25 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 45 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 1.734 ( 0.000 0.000 0.000) 0.000 1.850 ( 0.000 0.000 0.000) 0.000 1.991 ( 0.000 0.000 0.000) 0.000 2.113 ( 0.000 0.000 0.000) 0.000 2.123 ( 0.000 0.000 0.000) 0.000 2.198 ( 0.000 0.000 0.000) 0.000 2.205 ( 0.000 0.000 0.000) 0.000 2.225 ( 0.000 0.000 0.000) 0.000 2.556 ( 0.000 0.000 0.000) 0.000 2.611 ( 0.000 0.000 0.000) 0.000 2.619 ( 0.000 0.000 0.000) 0.000 2.621 ( 0.000 0.000 0.000) 0.000 2.847 ( 0.000 0.000 0.000) 0.000 2.939 ( 0.000 0.000 0.000) 0.000 2.986 ( 0.000 0.000 0.000) 0.000 3.133 ( 0.000 0.000 0.000) 0.000 3.196 ( 0.000 0.000 0.000) 0.000 3.226 ( 0.000 0.000 0.000) 0.000 3.331 ( 0.000 0.000 0.000) 0.000 3.339 ( 0.000 0.000 0.000) 0.000 3.403 ( 0.000 0.000 0.000) 0.000 3.450 ( 0.000 0.000 0.000) 0.000 3.494 ( 0.000 0.000 0.000) 0.000 3.578 ( 0.000 0.000 0.000) 0.000 3.585 ( 0.000 0.000 0.000) 0.000 3.641 ( 0.000 0.000 0.000) 0.000 3.656 ( 0.000 0.000 0.000) 0.000 3.746 ( 0.000 0.000 0.000) 0.000 3.762 ( 0.000 0.000 0.000) 0.000 3.764 ( 0.000 0.000 0.000) 0.000 3.787 ( 0.000 0.000 0.000) 0.000 3.818 ( 0.000 0.000 0.000) 0.000 3.909 ( 0.000 0.000 0.000) 0.000 4.094 ( 0.000 0.000 0.000) 0.000 4.224 ( 0.000 0.000 0.000) 0.000 4.235 ( 0.000 0.000 0.000) 0.000 4.240 ( 0.000 0.000 0.000) 0.000 4.253 ( 0.000 0.000 0.000) 0.000 4.261 ( 0.000 0.000 0.000) 0.000 4.281 ( 0.000 0.000 0.000) 0.000 4.334 ( 0.000 0.000 0.000) 0.000 4.355 ( 0.000 0.000 0.000) 0.000 4.380 ( 0.000 0.000 0.000) 0.000 4.426 ( 0.000 0.000 0.000) 0.000 4.427 ( 0.000 0.000 0.000) 0.000 4.448 ( 0.000 0.000 0.000) 0.000 4.516 ( 0.000 0.000 0.000) 0.000 4.519 ( 0.000 0.000 0.000) 0.000 4.596 ( 0.000 0.000 0.000) 0.000 4.745 ( 0.000 0.000 0.000) 0.000 4.894 ( 0.000 0.000 0.000) 0.000 4.976 ( 0.000 0.000 0.000) 0.000 4.980 ( 0.000 0.000 0.000) 0.000 5.023 ( 0.000 0.000 0.000) 0.000 5.031 ( 0.000 0.000 0.000) 0.000 5.121 ( 0.000 0.000 0.000) 0.000 5.149 ( 0.000 0.000 0.000) 0.000 5.160 ( 0.000 0.000 0.000) 0.000 5.205 ( 0.000 0.000 0.000) 0.000 5.209 ( 0.000 0.000 0.000) 0.000 5.366 ( 0.000 0.000 0.000) 0.000 5.414 ( 0.000 0.000 0.000) 0.000 5.420 ( 0.000 0.000 0.000) 0.000 5.514 ( 0.000 0.000 0.000) 0.000 5.597 ( 0.000 0.000 0.000) 0.000 5.602 ( 0.000 0.000 0.000) 0.000 5.647 ( 0.000 0.000 0.000) 0.000 5.794 ( 0.000 0.000 0.000) 0.000 5.845 ( 0.000 0.000 0.000) 0.000 5.959 ( 0.000 0.000 0.000) 0.000 6.039 ( 0.000 0.000 0.000) 0.000 6.056 ( 0.000 0.000 0.000) 0.000 6.059 ( 0.000 0.000 0.000) 0.000 6.178 ( 0.000 0.000 0.000) 0.000 6.188 ( 0.000 0.000 0.000) 0.000 6.206 ( 0.000 0.000 0.000) 0.000 6.224 ( 0.000 0.000 0.000) 0.000 6.268 ( 0.000 0.000 0.000) 0.000 6.458 ( 0.000 0.000 0.000) 0.000 6.515 ( 0.000 0.000 0.000) 0.000 6.573 ( 0.000 0.000 0.000) 0.000 6.613 ( 0.000 0.000 0.000) 0.000 6.646 ( 0.000 0.000 0.000) 0.000 6.697 ( 0.000 0.000 0.000) 0.000 6.781 ( 0.000 0.000 0.000) 0.000 6.789 ( 0.000 0.000 0.000) 0.000 6.996 ( 0.000 0.000 0.000) 0.000 6.997 ( 0.000 0.000 0.000) 0.000 7.042 ( 0.000 0.000 0.000) 0.000 7.253 ( 0.000 0.000 0.000) 0.000 7.254 ( 0.000 0.000 0.000) 0.000 7.279 ( 0.000 0.000 0.000) 0.000 7.298 ( 0.000 0.000 0.000) 0.000 8.058 ( 0.000 0.000 0.000) 0.000 8.205 ( 0.000 0.000 0.000) 0.000 8.269 ( 0.000 0.000 0.000) 0.000 8.303 ( 0.000 0.000 0.000) 0.000 8.487 ( 0.000 0.000 0.000) 0.000 8.518 ( 0.000 0.000 0.000) 0.000 8.737 ( 0.000 0.000 0.000) 0.000 8.747 ( 0.000 0.000 0.000) 0.000 8.759 ( 0.000 0.000 0.000) 0.000 8.863 ( 0.000 0.000 0.000) 0.000 8.886 ( 0.000 0.000 0.000) 0.000 8.887 ( 0.000 0.000 0.000) 0.000 8.894 ( 0.000 0.000 0.000) 0.000 8.919 ( 0.000 0.000 0.000) 0.000 9.050 ( 0.000 0.000 0.000) 0.000 9.287 ( 0.000 0.000 0.000) 0.000 9.290 ( 0.000 0.000 0.000) 0.000 9.337 ( 0.000 0.000 0.000) 0.000 9.383 ( 0.000 0.000 0.000) 0.000 9.420 ( 0.000 0.000 0.000) 0.000 9.447 ( 0.000 0.000 0.000) 0.000 9.501 ( 0.000 0.000 0.000) 0.000 9.524 ( 0.000 0.000 0.000) 0.000 9.665 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 26.523 0.000 0.000) 26.523 0.676 ( 30.393 0.000 0.000) 30.393 1.085 ( 48.365 0.000 0.000) 48.365 1.595 ( -16.358 0.000 0.000) 16.358 1.846 ( -21.212 0.000 0.000) 21.212 1.990 ( -0.025 0.000 0.000) 0.025 1.999 ( 2.727 0.000 0.000) 2.727 2.154 ( 2.586 0.000 0.000) 2.586 2.163 ( 4.041 0.000 0.000) 4.041 2.220 ( 1.756 0.000 0.000) 1.756 2.312 ( 7.291 0.000 0.000) 7.291 2.461 ( -8.876 0.000 0.000) 8.876 2.639 ( -3.380 0.000 0.000) 3.380 2.666 ( 2.095 0.000 0.000) 2.095 2.828 ( 6.401 0.000 0.000) 6.401 2.837 ( 3.797 0.000 0.000) 3.797 2.908 ( -6.261 0.000 0.000) 6.261 2.959 ( -3.685 0.000 0.000) 3.685 3.089 ( 0.114 0.000 0.000) 0.114 3.119 ( -34.240 0.000 0.000) 34.240 3.238 ( 4.211 0.000 0.000) 4.211 3.301 ( 4.091 0.000 0.000) 4.091 3.325 ( -5.026 0.000 0.000) 5.026 3.363 ( 2.929 0.000 0.000) 2.929 3.416 ( -1.506 0.000 0.000) 1.506 3.467 ( 4.642 0.000 0.000) 4.642 3.572 ( -4.984 0.000 0.000) 4.984 3.596 ( 7.535 0.000 0.000) 7.535 3.607 ( -1.875 0.000 0.000) 1.875 3.695 ( -3.282 0.000 0.000) 3.282 3.733 ( -2.009 0.000 0.000) 2.009 3.740 ( -1.677 0.000 0.000) 1.677 3.765 ( 1.406 0.000 0.000) 1.406 3.806 ( 2.956 0.000 0.000) 2.956 3.932 ( -2.689 0.000 0.000) 2.689 3.967 ( -7.192 0.000 0.000) 7.192 4.155 ( -5.611 0.000 0.000) 5.611 4.206 ( 5.328 0.000 0.000) 5.328 4.218 ( -3.401 0.000 0.000) 3.401 4.227 ( 0.283 0.000 0.000) 0.283 4.259 ( -0.291 0.000 0.000) 0.291 4.338 ( -2.610 0.000 0.000) 2.610 4.353 ( 3.564 0.000 0.000) 3.564 4.414 ( -4.356 0.000 0.000) 4.356 4.423 ( -2.088 0.000 0.000) 2.088 4.428 ( 5.151 0.000 0.000) 5.151 4.439 ( 5.397 0.000 0.000) 5.397 4.479 ( 7.033 0.000 0.000) 7.033 4.486 ( 1.442 0.000 0.000) 1.442 4.519 ( -0.106 0.000 0.000) 0.106 4.627 ( 2.287 0.000 0.000) 2.287 4.667 ( 18.337 0.000 0.000) 18.337 4.709 ( -3.522 0.000 0.000) 3.522 4.871 ( -5.218 0.000 0.000) 5.218 4.930 ( -10.485 0.000 0.000) 10.485 4.966 ( -1.226 0.000 0.000) 1.226 5.004 ( 1.255 0.000 0.000) 1.255 5.015 ( 3.471 0.000 0.000) 3.471 5.108 ( -1.850 0.000 0.000) 1.850 5.177 ( 4.385 0.000 0.000) 4.385 5.188 ( -1.342 0.000 0.000) 1.342 5.232 ( 5.971 0.000 0.000) 5.971 5.372 ( 1.270 0.000 0.000) 1.270 5.413 ( 8.777 0.000 0.000) 8.777 5.422 ( -0.387 0.000 0.000) 0.387 5.452 ( 2.673 0.000 0.000) 2.673 5.487 ( -2.424 0.000 0.000) 2.424 5.567 ( -1.149 0.000 0.000) 1.149 5.602 ( -1.233 0.000 0.000) 1.233 5.605 ( -3.100 0.000 0.000) 3.100 5.724 ( -5.408 0.000 0.000) 5.408 5.756 ( -5.043 0.000 0.000) 5.043 6.014 ( -0.056 0.000 0.000) 0.056 6.024 ( 2.888 0.000 0.000) 2.888 6.056 ( 0.004 0.000 0.000) 0.004 6.134 ( -2.738 0.000 0.000) 2.738 6.152 ( 1.706 0.000 0.000) 1.706 6.195 ( -2.197 0.000 0.000) 2.197 6.202 ( 0.118 0.000 0.000) 0.118 6.211 ( 0.840 0.000 0.000) 0.840 6.306 ( 3.931 0.000 0.000) 3.931 6.498 ( -2.337 0.000 0.000) 2.337 6.587 ( 1.227 0.000 0.000) 1.227 6.643 ( 3.566 0.000 0.000) 3.566 6.660 ( 0.953 0.000 0.000) 0.953 6.678 ( -3.599 0.000 0.000) 3.599 6.687 ( -0.283 0.000 0.000) 0.283 6.909 ( -6.970 0.000 0.000) 6.970 6.937 ( 7.518 0.000 0.000) 7.518 6.984 ( -0.903 0.000 0.000) 0.903 6.985 ( -0.881 0.000 0.000) 0.881 7.159 ( 3.854 0.000 0.000) 3.854 7.229 ( -4.404 0.000 0.000) 4.404 7.247 ( -0.640 0.000 0.000) 0.640 7.264 ( 0.846 0.000 0.000) 0.846 7.295 ( -0.305 0.000 0.000) 0.305 8.080 ( 1.893 0.000 0.000) 1.893 8.184 ( -1.876 0.000 0.000) 1.876 8.273 ( 0.332 0.000 0.000) 0.332 8.296 ( -0.524 0.000 0.000) 0.524 8.491 ( 0.359 0.000 0.000) 0.359 8.513 ( -0.427 0.000 0.000) 0.427 8.743 ( 0.468 0.000 0.000) 0.468 8.754 ( 0.342 0.000 0.000) 0.342 8.871 ( 0.579 0.000 0.000) 0.579 8.876 ( -0.273 0.000 0.000) 0.273 8.889 ( 0.327 0.000 0.000) 0.327 8.894 ( 0.279 0.000 0.000) 0.279 8.910 ( 0.580 0.000 0.000) 0.580 8.914 ( -0.395 0.000 0.000) 0.395 9.289 ( 0.010 0.000 0.000) 0.010 9.313 ( 2.167 0.000 0.000) 2.167 9.321 ( -1.246 0.000 0.000) 1.246 9.424 ( -0.690 0.000 0.000) 0.690 9.424 ( 2.295 0.000 0.000) 2.295 9.431 ( 0.950 0.000 0.000) 0.950 9.488 ( -1.141 0.000 0.000) 1.141 9.526 ( 0.092 0.000 0.000) 0.092 9.529 ( 0.112 0.000 0.000) 0.112 9.625 ( -3.466 0.000 0.000) 3.466 ======================= Grid point 2 (3/45) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -23.682 0.000 0.000) 23.682 1.140 ( 23.682 0.000 0.000) 23.682 1.308 ( -27.345 0.000 0.000) 27.345 1.308 ( 27.345 0.000 0.000) 27.345 1.995 ( -0.507 0.000 0.000) 0.507 1.995 ( 0.507 0.000 0.000) 0.507 2.057 ( -35.403 0.000 0.000) 35.403 2.057 ( 35.403 0.000 0.000) 35.403 2.237 ( -1.366 0.000 0.000) 1.366 2.237 ( 1.366 0.000 0.000) 1.366 2.393 ( -20.195 0.000 0.000) 20.195 2.393 ( 20.195 0.000 0.000) 20.195 2.493 ( -8.281 0.000 0.000) 8.281 2.493 ( 8.281 0.000 0.000) 8.281 2.721 ( -6.411 0.000 0.000) 6.411 2.721 ( 6.411 0.000 0.000) 6.411 2.918 ( -2.675 0.000 0.000) 2.675 2.918 ( 2.675 0.000 0.000) 2.675 3.037 ( -10.249 0.000 0.000) 10.249 3.037 ( 10.249 0.000 0.000) 10.249 3.293 ( -4.108 0.000 0.000) 4.108 3.293 ( 4.108 0.000 0.000) 4.108 3.367 ( -4.934 0.000 0.000) 4.934 3.367 ( 4.934 0.000 0.000) 4.934 3.460 ( -5.795 0.000 0.000) 5.795 3.460 ( 5.795 0.000 0.000) 5.795 3.564 ( -4.501 0.000 0.000) 4.501 3.564 ( 4.501 0.000 0.000) 4.501 3.626 ( -3.295 0.000 0.000) 3.295 3.626 ( 3.295 0.000 0.000) 3.295 3.768 ( -1.798 0.000 0.000) 1.798 3.768 ( 1.798 0.000 0.000) 1.798 3.796 ( -5.367 0.000 0.000) 5.367 3.796 ( 5.367 0.000 0.000) 5.367 3.878 ( -0.811 0.000 0.000) 0.811 3.878 ( 0.811 0.000 0.000) 0.811 4.116 ( -3.793 0.000 0.000) 3.793 4.116 ( 3.793 0.000 0.000) 3.793 4.240 ( -1.007 0.000 0.000) 1.007 4.240 ( 1.007 0.000 0.000) 1.007 4.278 ( -2.692 0.000 0.000) 2.692 4.278 ( 2.692 0.000 0.000) 2.692 4.375 ( -1.490 0.000 0.000) 1.490 4.375 ( 1.490 0.000 0.000) 1.490 4.461 ( -3.975 0.000 0.000) 3.975 4.461 ( 3.975 0.000 0.000) 3.975 4.494 ( -1.991 0.000 0.000) 1.991 4.494 ( 1.991 0.000 0.000) 1.991 4.597 ( -6.836 0.000 0.000) 6.836 4.597 ( 6.836 0.000 0.000) 6.836 4.689 ( -11.068 0.000 0.000) 11.068 4.689 ( 11.068 0.000 0.000) 11.068 4.714 ( -6.186 0.000 0.000) 6.186 4.714 ( 6.186 0.000 0.000) 6.186 4.993 ( -9.941 0.000 0.000) 9.941 4.993 ( 9.941 0.000 0.000) 9.941 5.000 ( -1.696 0.000 0.000) 1.696 5.000 ( 1.696 0.000 0.000) 1.696 5.112 ( -4.778 0.000 0.000) 4.778 5.112 ( 4.778 0.000 0.000) 4.778 5.286 ( -3.574 0.000 0.000) 3.574 5.286 ( 3.574 0.000 0.000) 3.574 5.414 ( -3.579 0.000 0.000) 3.579 5.414 ( 3.579 0.000 0.000) 3.579 5.455 ( -3.901 0.000 0.000) 3.901 5.455 ( 3.901 0.000 0.000) 3.901 5.524 ( -3.441 0.000 0.000) 3.441 5.524 ( 3.441 0.000 0.000) 3.441 5.611 ( -3.645 0.000 0.000) 3.645 5.611 ( 3.645 0.000 0.000) 3.645 5.641 ( -5.926 0.000 0.000) 5.926 5.641 ( 5.926 0.000 0.000) 5.926 6.041 ( -1.635 0.000 0.000) 1.635 6.041 ( 1.635 0.000 0.000) 1.635 6.073 ( -2.455 0.000 0.000) 2.455 6.073 ( 2.455 0.000 0.000) 2.455 6.162 ( -0.361 0.000 0.000) 0.361 6.162 ( 0.361 0.000 0.000) 0.361 6.215 ( -0.536 0.000 0.000) 0.536 6.215 ( 0.536 0.000 0.000) 0.536 6.414 ( -5.001 0.000 0.000) 5.001 6.414 ( 5.001 0.000 0.000) 5.001 6.621 ( -1.903 0.000 0.000) 1.903 6.621 ( 1.903 0.000 0.000) 1.903 6.678 ( -0.612 0.000 0.000) 0.612 6.678 ( 0.612 0.000 0.000) 0.612 6.759 ( -6.517 0.000 0.000) 6.517 6.759 ( 6.517 0.000 0.000) 6.517 6.972 ( -0.052 0.000 0.000) 0.052 6.972 ( 0.052 0.000 0.000) 0.052 7.100 ( -7.080 0.000 0.000) 7.080 7.100 ( 7.080 0.000 0.000) 7.080 7.221 ( -1.911 0.000 0.000) 1.911 7.221 ( 1.911 0.000 0.000) 1.911 7.283 ( -0.798 0.000 0.000) 0.798 7.283 ( 0.798 0.000 0.000) 0.798 8.132 ( -2.665 0.000 0.000) 2.665 8.132 ( 2.665 0.000 0.000) 2.665 8.283 ( -0.604 0.000 0.000) 0.604 8.283 ( 0.604 0.000 0.000) 0.604 8.502 ( -0.537 0.000 0.000) 0.537 8.502 ( 0.537 0.000 0.000) 0.537 8.753 ( -0.368 0.000 0.000) 0.368 8.753 ( 0.368 0.000 0.000) 0.368 8.875 ( -0.065 0.000 0.000) 0.065 8.875 ( 0.065 0.000 0.000) 0.065 8.903 ( -0.511 0.000 0.000) 0.511 8.903 ( 0.511 0.000 0.000) 0.511 8.907 ( -0.851 0.000 0.000) 0.851 8.907 ( 0.851 0.000 0.000) 0.851 9.296 ( -0.782 0.000 0.000) 0.782 9.296 ( 0.782 0.000 0.000) 0.782 9.370 ( -2.766 0.000 0.000) 2.766 9.370 ( 2.766 0.000 0.000) 2.766 9.458 ( -1.456 0.000 0.000) 1.456 9.458 ( 1.456 0.000 0.000) 1.456 9.515 ( -2.948 0.000 0.000) 2.948 9.515 ( 2.948 0.000 0.000) 2.948 9.539 ( -2.142 0.000 0.000) 2.142 9.539 ( 2.142 0.000 0.000) 2.142 ======================= Grid point 5 (4/45) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 0.000 29.468 0.000) 29.468 0.665 ( 0.000 30.143 0.000) 30.143 1.138 ( 0.000 50.595 0.000) 50.595 1.795 ( 0.000 5.085 0.000) 5.085 1.901 ( 0.000 4.370 0.000) 4.370 1.989 ( 0.000 -1.055 0.000) 1.055 2.089 ( 0.000 -4.257 0.000) 4.257 2.171 ( 0.000 -6.252 0.000) 6.252 2.192 ( 0.000 -1.144 0.000) 1.144 2.279 ( 0.000 7.512 0.000) 7.512 2.457 ( 0.000 -6.979 0.000) 6.979 2.556 ( 0.000 -16.165 0.000) 16.165 2.564 ( 0.000 -8.531 0.000) 8.531 2.575 ( 0.000 -1.032 0.000) 1.032 2.582 ( 0.000 -1.246 0.000) 1.246 2.809 ( 0.000 1.767 0.000) 1.767 2.906 ( 0.000 -16.518 0.000) 16.518 3.090 ( 0.000 -8.305 0.000) 8.305 3.110 ( 0.000 -4.664 0.000) 4.664 3.134 ( 0.000 -14.638 0.000) 14.638 3.255 ( 0.000 3.026 0.000) 3.026 3.339 ( 0.000 2.533 0.000) 2.533 3.350 ( 0.000 0.196 0.000) 0.196 3.362 ( 0.000 -9.594 0.000) 9.594 3.475 ( 0.000 -4.551 0.000) 4.551 3.481 ( 0.000 1.728 0.000) 1.728 3.580 ( 0.000 -0.414 0.000) 0.414 3.582 ( 0.000 9.297 0.000) 9.297 3.628 ( 0.000 -1.521 0.000) 1.521 3.633 ( 0.000 0.306 0.000) 0.306 3.805 ( 0.000 2.031 0.000) 2.031 3.817 ( 0.000 3.991 0.000) 3.991 3.872 ( 0.000 5.729 0.000) 5.729 3.875 ( 0.000 5.393 0.000) 5.393 3.944 ( 0.000 -14.776 0.000) 14.776 3.967 ( 0.000 8.158 0.000) 8.158 4.033 ( 0.000 13.836 0.000) 13.836 4.102 ( 0.000 -6.585 0.000) 6.585 4.190 ( 0.000 -1.147 0.000) 1.147 4.208 ( 0.000 -1.571 0.000) 1.571 4.217 ( 0.000 -1.557 0.000) 1.557 4.306 ( 0.000 -2.602 0.000) 2.602 4.368 ( 0.000 8.251 0.000) 8.251 4.374 ( 0.000 0.108 0.000) 0.108 4.394 ( 0.000 5.919 0.000) 5.919 4.424 ( 0.000 6.584 0.000) 6.584 4.471 ( 0.000 3.674 0.000) 3.674 4.476 ( 0.000 -3.236 0.000) 3.236 4.528 ( 0.000 4.758 0.000) 4.758 4.535 ( 0.000 5.762 0.000) 5.762 4.597 ( 0.000 2.117 0.000) 2.117 4.656 ( 0.000 4.902 0.000) 4.902 4.770 ( 0.000 -1.034 0.000) 1.034 4.831 ( 0.000 1.480 0.000) 1.480 4.869 ( 0.000 -1.938 0.000) 1.938 4.891 ( 0.000 -7.277 0.000) 7.277 5.014 ( 0.000 -3.615 0.000) 3.615 5.111 ( 0.000 -3.109 0.000) 3.109 5.125 ( 0.000 -2.182 0.000) 2.182 5.150 ( 0.000 -1.697 0.000) 1.697 5.177 ( 0.000 5.707 0.000) 5.707 5.198 ( 0.000 -1.278 0.000) 1.278 5.265 ( 0.000 5.690 0.000) 5.690 5.334 ( 0.000 -2.273 0.000) 2.273 5.413 ( 0.000 0.206 0.000) 0.206 5.431 ( 0.000 -0.418 0.000) 0.418 5.498 ( 0.000 -1.221 0.000) 1.221 5.615 ( 0.000 -1.604 0.000) 1.604 5.616 ( 0.000 1.339 0.000) 1.339 5.632 ( 0.000 2.275 0.000) 2.275 5.765 ( 0.000 -2.333 0.000) 2.333 5.775 ( 0.000 -6.010 0.000) 6.010 5.933 ( 0.000 -1.109 0.000) 1.109 6.012 ( 0.000 -2.281 0.000) 2.281 6.079 ( 0.000 1.842 0.000) 1.842 6.140 ( 0.000 5.978 0.000) 5.978 6.148 ( 0.000 -1.627 0.000) 1.627 6.159 ( 0.000 -1.541 0.000) 1.541 6.170 ( 0.000 -2.687 0.000) 2.687 6.238 ( 0.000 0.643 0.000) 0.643 6.344 ( 0.000 4.931 0.000) 4.931 6.475 ( 0.000 1.345 0.000) 1.345 6.509 ( 0.000 -0.943 0.000) 0.943 6.516 ( 0.000 -6.830 0.000) 6.830 6.616 ( 0.000 -1.181 0.000) 1.181 6.680 ( 0.000 -1.664 0.000) 1.664 6.731 ( 0.000 0.254 0.000) 0.254 6.764 ( 0.000 -1.911 0.000) 1.911 6.866 ( 0.000 5.699 0.000) 5.699 6.979 ( 0.000 -4.514 0.000) 4.514 7.014 ( 0.000 -0.212 0.000) 0.212 7.016 ( 0.000 1.746 0.000) 1.746 7.235 ( 0.000 -1.636 0.000) 1.636 7.250 ( 0.000 -2.582 0.000) 2.582 7.265 ( 0.000 1.714 0.000) 1.714 7.330 ( 0.000 1.720 0.000) 1.720 8.099 ( 0.000 3.552 0.000) 3.552 8.251 ( 0.000 2.819 0.000) 2.819 8.295 ( 0.000 3.039 0.000) 3.039 8.346 ( 0.000 3.716 0.000) 3.716 8.491 ( 0.000 0.353 0.000) 0.353 8.519 ( 0.000 0.055 0.000) 0.055 8.730 ( 0.000 -2.423 0.000) 2.423 8.786 ( 0.000 3.399 0.000) 3.399 8.801 ( 0.000 -5.478 0.000) 5.478 8.839 ( 0.000 -3.571 0.000) 3.571 8.873 ( 0.000 0.739 0.000) 0.739 8.874 ( 0.000 0.267 0.000) 0.267 8.933 ( 0.000 -1.165 0.000) 1.165 9.100 ( 0.000 3.382 0.000) 3.382 9.172 ( 0.000 -6.672 0.000) 6.672 9.258 ( 0.000 -2.259 0.000) 2.259 9.335 ( 0.000 0.244 0.000) 0.244 9.390 ( 0.000 -2.973 0.000) 2.973 9.438 ( 0.000 1.572 0.000) 1.572 9.442 ( 0.000 3.733 0.000) 3.733 9.526 ( 0.000 -0.038 0.000) 0.038 9.542 ( 0.000 1.500 0.000) 1.500 9.701 ( 0.000 3.254 0.000) 3.254 9.957 ( 0.000 -2.342 0.000) 2.342 ======================= Grid point 6 (5/45) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 17.185 22.246 0.000) 28.111 0.941 ( 20.778 20.049 0.000) 28.874 1.517 ( 28.444 31.037 0.000) 42.100 1.677 ( -11.666 8.410 0.000) 14.381 1.892 ( -17.021 3.848 0.000) 17.450 1.903 ( 3.747 0.944 0.000) 3.865 1.990 ( -1.751 -0.910 0.000) 1.973 2.171 ( -3.365 2.671 0.000) 4.296 2.180 ( 2.951 -4.214 0.000) 5.145 2.283 ( 6.524 -2.270 0.000) 6.908 2.287 ( -9.751 -10.591 0.000) 14.397 2.475 ( -6.609 5.120 0.000) 8.360 2.556 ( -0.242 -5.414 0.000) 5.420 2.586 ( -0.804 -5.968 0.000) 6.022 2.743 ( 3.149 -7.808 0.000) 8.419 2.814 ( 3.445 3.999 0.000) 5.278 2.883 ( 1.678 -10.665 0.000) 10.796 2.910 ( -6.169 -12.745 0.000) 14.160 3.028 ( 4.708 0.061 0.000) 4.708 3.116 ( -12.345 -3.515 0.000) 12.835 3.225 ( -7.678 -0.685 0.000) 7.709 3.235 ( 4.595 -4.214 0.000) 6.235 3.294 ( -21.494 14.678 0.000) 26.028 3.365 ( 0.002 0.128 0.000) 0.128 3.395 ( -0.583 -6.396 0.000) 6.423 3.465 ( 2.915 -7.514 0.000) 8.060 3.491 ( 1.575 -1.752 0.000) 2.356 3.559 ( -4.188 -0.212 0.000) 4.193 3.661 ( 5.331 7.040 0.000) 8.831 3.668 ( -2.539 -1.967 0.000) 3.212 3.766 ( -1.244 0.031 0.000) 1.245 3.812 ( 0.519 -3.815 0.000) 3.850 3.835 ( -2.424 5.998 0.000) 6.470 3.863 ( 0.218 1.703 0.000) 1.717 3.999 ( 2.959 -11.554 0.000) 11.927 4.036 ( 1.117 5.805 0.000) 5.912 4.048 ( -0.275 9.148 0.000) 9.152 4.062 ( -3.981 -3.448 0.000) 5.267 4.135 ( -2.359 -4.960 0.000) 5.492 4.247 ( -1.025 0.644 0.000) 1.211 4.286 ( 2.191 2.832 0.000) 3.581 4.386 ( 2.909 2.785 0.000) 4.027 4.408 ( 0.928 3.548 0.000) 3.668 4.424 ( 2.256 3.675 0.000) 4.313 4.434 ( 3.001 2.113 0.000) 3.670 4.468 ( -0.731 3.154 0.000) 3.238 4.475 ( 0.145 -1.668 0.000) 1.675 4.510 ( -2.380 3.114 0.000) 3.920 4.524 ( 6.324 3.002 0.000) 7.001 4.611 ( 5.555 5.414 0.000) 7.757 4.641 ( 9.104 -3.843 0.000) 9.882 4.653 ( 2.549 3.926 0.000) 4.681 4.753 ( -4.510 -0.666 0.000) 4.559 4.818 ( 4.553 -0.977 0.000) 4.657 4.855 ( -6.125 -1.791 0.000) 6.382 4.870 ( -3.701 -3.968 0.000) 5.426 4.911 ( -3.656 -2.728 0.000) 4.561 5.049 ( -2.152 -4.126 0.000) 4.653 5.171 ( 1.787 1.290 0.000) 2.204 5.198 ( 1.812 0.184 0.000) 1.822 5.223 ( 5.875 1.549 0.000) 6.076 5.272 ( 2.190 5.484 0.000) 5.905 5.350 ( 1.873 -1.605 0.000) 2.467 5.375 ( 6.530 -2.129 0.000) 6.869 5.423 ( -0.017 0.635 0.000) 0.636 5.476 ( 2.731 -0.911 0.000) 2.879 5.490 ( 0.472 -0.263 0.000) 0.540 5.563 ( -3.593 -0.801 0.000) 3.681 5.591 ( -1.392 1.283 0.000) 1.893 5.624 ( -1.627 1.822 0.000) 2.443 5.715 ( -3.936 -1.062 0.000) 4.077 5.720 ( -3.308 -3.321 0.000) 4.688 5.970 ( 2.189 -2.327 0.000) 3.194 6.007 ( 0.166 -0.768 0.000) 0.786 6.121 ( 1.179 -1.157 0.000) 1.651 6.122 ( -1.204 1.952 0.000) 2.294 6.149 ( -1.438 0.223 0.000) 1.455 6.165 ( 2.119 -2.316 0.000) 3.139 6.188 ( 1.239 0.444 0.000) 1.316 6.202 ( -2.778 0.519 0.000) 2.826 6.360 ( 1.480 3.810 0.000) 4.087 6.462 ( -2.692 -2.731 0.000) 3.834 6.510 ( 2.661 -4.325 0.000) 5.078 6.565 ( 2.372 -5.512 0.000) 6.000 6.592 ( -0.475 -2.194 0.000) 2.245 6.660 ( -1.502 -2.301 0.000) 2.747 6.794 ( -0.109 6.046 0.000) 6.047 6.816 ( 1.605 -2.975 0.000) 3.380 6.908 ( 5.034 -2.889 0.000) 5.804 6.978 ( 0.162 -2.053 0.000) 2.060 7.010 ( -0.167 0.825 0.000) 0.842 7.068 ( 4.639 -1.351 0.000) 4.832 7.208 ( -3.393 -1.776 0.000) 3.830 7.241 ( -0.478 0.019 0.000) 0.478 7.261 ( 0.475 0.049 0.000) 0.478 7.315 ( -1.160 1.264 0.000) 1.716 8.122 ( 1.983 3.644 0.000) 4.148 8.232 ( -1.889 3.827 0.000) 4.268 8.310 ( 1.112 2.410 0.000) 2.654 8.342 ( -0.386 3.728 0.000) 3.748 8.497 ( 0.485 0.479 0.000) 0.681 8.517 ( -0.251 0.274 0.000) 0.371 8.746 ( 1.356 -2.182 0.000) 2.569 8.792 ( 0.199 2.945 0.000) 2.951 8.798 ( -0.192 -5.305 0.000) 5.309 8.813 ( -1.246 -3.436 0.000) 3.655 8.870 ( 0.106 -0.591 0.000) 0.600 8.900 ( 0.883 0.365 0.000) 0.956 8.947 ( 1.117 0.761 0.000) 1.351 9.032 ( -4.207 5.630 0.000) 7.028 9.188 ( 1.123 -6.419 0.000) 6.516 9.245 ( -1.099 -3.253 0.000) 3.434 9.373 ( 2.824 0.624 0.000) 2.893 9.387 ( -0.120 -1.821 0.000) 1.825 9.423 ( -0.958 1.312 0.000) 1.625 9.463 ( 2.009 2.973 0.000) 3.588 9.497 ( -1.941 0.519 0.000) 2.009 9.557 ( 0.601 1.136 0.000) 1.285 9.661 ( -3.294 3.192 0.000) 4.587 9.733 ( -9.945 7.741 0.000) 12.603 ======================= Grid point 7 (6/45) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -14.324 12.526 0.000) 19.029 1.287 ( 14.324 12.526 0.000) 19.029 1.457 ( -17.351 12.918 0.000) 21.631 1.457 ( 17.351 12.918 0.000) 21.631 1.909 ( -7.152 -7.276 0.000) 10.202 1.909 ( 7.152 -7.276 0.000) 10.202 2.116 ( -5.267 3.409 0.000) 6.274 2.116 ( 5.267 3.409 0.000) 6.274 2.253 ( -0.241 0.736 0.000) 0.775 2.253 ( 0.241 0.736 0.000) 0.775 2.459 ( -27.864 10.522 0.000) 29.784 2.459 ( 27.864 10.522 0.000) 29.784 2.517 ( -4.549 -1.500 0.000) 4.790 2.517 ( 4.549 -1.500 0.000) 4.790 2.621 ( -8.100 -8.278 0.000) 11.581 2.621 ( 8.100 -8.278 0.000) 11.581 2.913 ( -0.516 -16.626 0.000) 16.634 2.913 ( 0.516 -16.626 0.000) 16.634 2.978 ( -8.682 3.247 0.000) 9.269 2.978 ( 8.682 3.247 0.000) 9.269 3.153 ( -5.539 5.569 0.000) 7.855 3.153 ( 5.539 5.569 0.000) 7.855 3.350 ( -3.301 -8.369 0.000) 8.997 3.350 ( 3.301 -8.369 0.000) 8.997 3.424 ( -6.330 -1.534 0.000) 6.513 3.424 ( 6.330 -1.534 0.000) 6.513 3.530 ( -1.253 1.100 0.000) 1.667 3.530 ( 1.253 1.100 0.000) 1.667 3.685 ( -4.999 -7.282 0.000) 8.833 3.685 ( 4.999 -7.282 0.000) 8.833 3.783 ( -1.755 5.331 0.000) 5.613 3.783 ( 1.755 5.331 0.000) 5.613 3.804 ( -3.904 2.331 0.000) 4.548 3.804 ( 3.904 2.331 0.000) 4.548 4.025 ( -0.043 2.038 0.000) 2.038 4.025 ( 0.043 2.038 0.000) 2.038 4.068 ( -0.826 -1.879 0.000) 2.053 4.068 ( 0.826 -1.879 0.000) 2.053 4.134 ( -5.070 2.293 0.000) 5.564 4.134 ( 5.070 2.293 0.000) 5.564 4.360 ( -3.217 4.008 0.000) 5.140 4.360 ( 3.217 4.008 0.000) 5.140 4.428 ( -3.862 0.508 0.000) 3.895 4.428 ( 3.862 0.508 0.000) 3.895 4.466 ( -0.672 0.814 0.000) 1.056 4.466 ( 0.672 0.814 0.000) 1.056 4.499 ( -0.037 2.234 0.000) 2.234 4.499 ( 0.037 2.234 0.000) 2.234 4.657 ( -6.091 -0.605 0.000) 6.121 4.657 ( 6.091 -0.605 0.000) 6.121 4.674 ( -4.948 3.753 0.000) 6.210 4.674 ( 4.948 3.753 0.000) 6.210 4.778 ( -7.081 3.155 0.000) 7.752 4.778 ( 7.081 3.155 0.000) 7.752 4.818 ( -4.472 -8.612 0.000) 9.704 4.818 ( 4.472 -8.612 0.000) 9.704 4.969 ( -6.482 -2.251 0.000) 6.862 4.969 ( 6.482 -2.251 0.000) 6.862 5.198 ( -1.084 1.945 0.000) 2.227 5.198 ( 1.084 1.945 0.000) 2.227 5.319 ( -0.084 3.129 0.000) 3.130 5.319 ( 0.084 3.129 0.000) 3.130 5.409 ( -2.493 -2.670 0.000) 3.653 5.409 ( 2.493 -2.670 0.000) 3.653 5.431 ( -2.767 1.332 0.000) 3.071 5.431 ( 2.767 1.332 0.000) 3.071 5.545 ( -3.088 -0.053 0.000) 3.088 5.545 ( 3.088 -0.053 0.000) 3.088 5.586 ( -1.518 -0.313 0.000) 1.550 5.586 ( 1.518 -0.313 0.000) 1.550 5.659 ( -1.446 0.507 0.000) 1.532 5.659 ( 1.446 0.507 0.000) 1.532 6.007 ( -0.916 -1.800 0.000) 2.020 6.007 ( 0.916 -1.800 0.000) 2.020 6.111 ( -0.609 0.951 0.000) 1.129 6.111 ( 0.609 0.951 0.000) 1.129 6.145 ( -1.742 -0.586 0.000) 1.838 6.145 ( 1.742 -0.586 0.000) 1.838 6.202 ( -0.389 -0.488 0.000) 0.624 6.202 ( 0.389 -0.488 0.000) 0.624 6.403 ( -2.462 -0.238 0.000) 2.473 6.403 ( 2.462 -0.238 0.000) 2.473 6.570 ( -2.039 -4.190 0.000) 4.660 6.570 ( 2.039 -4.190 0.000) 4.660 6.618 ( -2.089 -3.958 0.000) 4.475 6.618 ( 2.089 -3.958 0.000) 4.475 6.797 ( -1.306 2.939 0.000) 3.216 6.797 ( 1.306 2.939 0.000) 3.216 6.980 ( -0.218 -1.464 0.000) 1.480 6.980 ( 0.218 -1.464 0.000) 1.480 7.066 ( -5.346 -2.055 0.000) 5.728 7.066 ( 5.346 -2.055 0.000) 5.728 7.199 ( -2.827 -0.005 0.000) 2.827 7.199 ( 2.827 -0.005 0.000) 2.827 7.287 ( -1.361 0.035 0.000) 1.362 7.287 ( 1.361 0.035 0.000) 1.362 8.177 ( -2.839 3.884 0.000) 4.811 8.177 ( 2.839 3.884 0.000) 4.811 8.330 ( -0.721 3.361 0.000) 3.437 8.330 ( 0.721 3.361 0.000) 3.437 8.508 ( -0.503 0.546 0.000) 0.743 8.508 ( 0.503 0.546 0.000) 0.743 8.779 ( -1.341 -0.326 0.000) 1.380 8.779 ( 1.341 -0.326 0.000) 1.380 8.797 ( -0.245 -4.173 0.000) 4.180 8.797 ( 0.245 -4.173 0.000) 4.180 8.889 ( -1.397 0.426 0.000) 1.461 8.889 ( 1.397 0.426 0.000) 1.461 8.974 ( -1.424 3.349 0.000) 3.639 8.974 ( 1.424 3.349 0.000) 3.639 9.216 ( -1.421 -5.312 0.000) 5.498 9.216 ( 1.421 -5.312 0.000) 5.498 9.391 ( -0.544 0.821 0.000) 0.984 9.391 ( 0.544 0.821 0.000) 0.984 9.448 ( -2.555 0.490 0.000) 2.602 9.448 ( 2.555 0.490 0.000) 2.602 9.532 ( -3.582 1.082 0.000) 3.742 9.532 ( 3.582 1.082 0.000) 3.742 9.621 ( -1.464 4.752 0.000) 4.972 9.621 ( 1.464 4.752 0.000) 4.972 ======================= Grid point 10 (7/45) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 0.000 23.978 0.000) 23.978 1.277 ( 0.000 24.594 0.000) 24.594 1.811 ( 0.000 -14.871 0.000) 14.871 1.877 ( 0.000 -13.357 0.000) 13.357 1.932 ( 0.000 0.130 0.000) 0.130 1.965 ( 0.000 9.756 0.000) 9.756 2.007 ( 0.000 -2.601 0.000) 2.601 2.115 ( 0.000 -6.520 0.000) 6.520 2.177 ( 0.000 34.048 0.000) 34.048 2.353 ( 0.000 -1.668 0.000) 1.668 2.381 ( 0.000 1.334 0.000) 1.334 2.390 ( 0.000 -5.112 0.000) 5.112 2.533 ( 0.000 16.120 0.000) 16.120 2.576 ( 0.000 -11.101 0.000) 11.101 2.589 ( 0.000 1.965 0.000) 1.965 2.603 ( 0.000 1.693 0.000) 1.693 2.765 ( 0.000 -18.619 0.000) 18.619 2.909 ( 0.000 4.237 0.000) 4.237 2.926 ( 0.000 -4.471 0.000) 4.471 2.987 ( 0.000 -2.644 0.000) 2.644 3.036 ( 0.000 -22.173 0.000) 22.173 3.136 ( 0.000 -10.401 0.000) 10.401 3.403 ( 0.000 6.014 0.000) 6.014 3.423 ( 0.000 4.612 0.000) 4.612 3.473 ( 0.000 3.404 0.000) 3.404 3.512 ( 0.000 -0.928 0.000) 0.928 3.561 ( 0.000 -2.757 0.000) 2.757 3.567 ( 0.000 -0.873 0.000) 0.873 3.573 ( 0.000 -5.621 0.000) 5.621 3.633 ( 0.000 -13.060 0.000) 13.060 3.760 ( 0.000 6.829 0.000) 6.829 3.873 ( 0.000 -4.292 0.000) 4.292 3.875 ( 0.000 3.968 0.000) 3.968 3.901 ( 0.000 3.190 0.000) 3.190 3.947 ( 0.000 0.544 0.000) 0.544 3.980 ( 0.000 -4.658 0.000) 4.658 4.159 ( 0.000 0.903 0.000) 0.903 4.161 ( 0.000 1.299 0.000) 1.299 4.172 ( 0.000 -1.370 0.000) 1.370 4.186 ( 0.000 0.250 0.000) 0.250 4.267 ( 0.000 12.041 0.000) 12.041 4.297 ( 0.000 2.862 0.000) 2.862 4.382 ( 0.000 -3.550 0.000) 3.550 4.462 ( 0.000 -2.522 0.000) 2.522 4.477 ( 0.000 7.206 0.000) 7.206 4.534 ( 0.000 4.721 0.000) 4.721 4.581 ( 0.000 0.201 0.000) 0.201 4.588 ( 0.000 7.565 0.000) 7.565 4.589 ( 0.000 -0.716 0.000) 0.716 4.625 ( 0.000 6.875 0.000) 6.875 4.695 ( 0.000 9.474 0.000) 9.474 4.735 ( 0.000 -6.690 0.000) 6.690 4.769 ( 0.000 -5.703 0.000) 5.703 4.778 ( 0.000 6.239 0.000) 6.239 4.840 ( 0.000 -3.096 0.000) 3.096 4.874 ( 0.000 7.089 0.000) 7.089 4.920 ( 0.000 -5.600 0.000) 5.600 5.040 ( 0.000 -3.386 0.000) 3.386 5.040 ( 0.000 -2.644 0.000) 2.644 5.059 ( 0.000 -7.881 0.000) 7.881 5.184 ( 0.000 1.064 0.000) 1.064 5.223 ( 0.000 -1.214 0.000) 1.214 5.315 ( 0.000 1.362 0.000) 1.362 5.372 ( 0.000 -3.564 0.000) 3.564 5.416 ( 0.000 7.173 0.000) 7.173 5.431 ( 0.000 1.310 0.000) 1.310 5.472 ( 0.000 -0.460 0.000) 0.460 5.611 ( 0.000 -8.539 0.000) 8.539 5.627 ( 0.000 1.612 0.000) 1.612 5.640 ( 0.000 0.551 0.000) 0.551 5.679 ( 0.000 1.760 0.000) 1.760 5.715 ( 0.000 -1.934 0.000) 1.934 5.928 ( 0.000 0.626 0.000) 0.626 5.959 ( 0.000 -2.188 0.000) 2.188 6.117 ( 0.000 -0.423 0.000) 0.423 6.120 ( 0.000 -1.338 0.000) 1.338 6.147 ( 0.000 2.873 0.000) 2.873 6.153 ( 0.000 2.300 0.000) 2.300 6.219 ( 0.000 -2.641 0.000) 2.641 6.220 ( 0.000 -1.341 0.000) 1.341 6.426 ( 0.000 0.989 0.000) 0.989 6.439 ( 0.000 2.715 0.000) 2.715 6.498 ( 0.000 0.431 0.000) 0.431 6.502 ( 0.000 0.686 0.000) 0.686 6.607 ( 0.000 0.182 0.000) 0.182 6.633 ( 0.000 -2.189 0.000) 2.189 6.701 ( 0.000 -2.632 0.000) 2.632 6.705 ( 0.000 -2.868 0.000) 2.868 6.923 ( 0.000 0.347 0.000) 0.347 6.969 ( 0.000 -3.032 0.000) 3.032 6.995 ( 0.000 5.510 0.000) 5.510 7.055 ( 0.000 0.803 0.000) 0.803 7.184 ( 0.000 -2.539 0.000) 2.539 7.189 ( 0.000 -2.180 0.000) 2.180 7.321 ( 0.000 2.539 0.000) 2.539 7.351 ( 0.000 -0.127 0.000) 0.127 8.192 ( 0.000 4.451 0.000) 4.451 8.263 ( 0.000 -1.570 0.000) 1.570 8.406 ( 0.000 5.297 0.000) 5.297 8.434 ( 0.000 3.080 0.000) 3.080 8.503 ( 0.000 0.692 0.000) 0.692 8.516 ( 0.000 -0.419 0.000) 0.419 8.668 ( 0.000 -2.677 0.000) 2.677 8.683 ( 0.000 -4.483 0.000) 4.483 8.797 ( 0.000 0.653 0.000) 0.653 8.863 ( 0.000 -4.396 0.000) 4.396 8.880 ( 0.000 2.664 0.000) 2.664 8.882 ( 0.000 0.361 0.000) 0.361 8.890 ( 0.000 3.231 0.000) 3.231 9.023 ( 0.000 -6.839 0.000) 6.839 9.167 ( 0.000 2.615 0.000) 2.615 9.214 ( 0.000 -1.863 0.000) 1.863 9.336 ( 0.000 0.011 0.000) 0.011 9.345 ( 0.000 -1.104 0.000) 1.104 9.478 ( 0.000 1.932 0.000) 1.932 9.511 ( 0.000 2.556 0.000) 2.556 9.514 ( 0.000 -1.180 0.000) 1.180 9.548 ( 0.000 -0.807 0.000) 0.807 9.791 ( 0.000 4.600 0.000) 4.600 9.887 ( 0.000 -4.033 0.000) 4.033 ======================= Grid point 11 (8/45) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 9.701 21.963 0.000) 24.010 1.402 ( 12.211 19.920 0.000) 23.365 1.800 ( -5.101 -0.416 0.000) 5.118 1.845 ( -1.376 -10.331 0.000) 10.422 1.884 ( -1.855 4.188 0.000) 4.581 1.950 ( -1.165 -4.624 0.000) 4.769 2.055 ( 3.485 -6.693 0.000) 7.546 2.111 ( -0.221 -3.133 0.000) 3.140 2.176 ( -9.102 6.104 0.000) 10.959 2.306 ( -1.904 6.579 0.000) 6.849 2.365 ( 6.752 26.041 0.000) 26.902 2.424 ( 1.503 -1.742 0.000) 2.301 2.439 ( 2.096 -3.934 0.000) 4.457 2.498 ( -6.489 -11.485 0.000) 13.192 2.584 ( -11.349 -11.892 0.000) 16.438 2.647 ( -0.109 -6.115 0.000) 6.116 2.647 ( 1.224 5.450 0.000) 5.586 2.930 ( 2.249 5.393 0.000) 5.844 2.966 ( 2.140 -8.894 0.000) 9.148 3.110 ( 4.723 -14.751 0.000) 15.489 3.123 ( 7.890 -0.357 0.000) 7.898 3.194 ( 0.865 -7.601 0.000) 7.650 3.226 ( -0.094 8.822 0.000) 8.823 3.370 ( -2.961 1.769 0.000) 3.450 3.375 ( -10.106 1.664 0.000) 10.243 3.466 ( -0.266 -9.166 0.000) 9.170 3.549 ( 2.547 4.167 0.000) 4.883 3.561 ( -11.377 2.070 0.000) 11.564 3.636 ( -3.722 -5.446 0.000) 6.596 3.637 ( 1.132 -1.889 0.000) 2.202 3.739 ( -4.511 1.946 0.000) 4.912 3.776 ( 2.333 0.452 0.000) 2.377 3.816 ( 0.137 -1.752 0.000) 1.757 3.860 ( -4.599 -3.572 0.000) 5.823 3.925 ( -3.040 2.505 0.000) 3.939 3.970 ( -0.773 -1.984 0.000) 2.130 4.136 ( 0.413 4.096 0.000) 4.117 4.177 ( 1.150 3.362 0.000) 3.553 4.224 ( 4.040 0.369 0.000) 4.056 4.246 ( 2.250 3.786 0.000) 4.404 4.314 ( 1.824 2.941 0.000) 3.461 4.397 ( 0.458 -3.401 0.000) 3.432 4.406 ( 4.231 -3.907 0.000) 5.759 4.447 ( -3.423 -7.138 0.000) 7.916 4.488 ( 1.282 4.444 0.000) 4.625 4.515 ( -1.301 4.385 0.000) 4.574 4.553 ( -1.381 2.838 0.000) 3.156 4.555 ( 1.205 2.400 0.000) 2.686 4.579 ( -2.444 7.290 0.000) 7.688 4.661 ( -0.289 2.505 0.000) 2.521 4.677 ( 3.733 3.578 0.000) 5.171 4.681 ( -2.001 -2.309 0.000) 3.056 4.756 ( -4.610 -5.883 0.000) 7.474 4.795 ( 0.244 -5.884 0.000) 5.889 4.842 ( 1.458 9.783 0.000) 9.891 4.872 ( 3.896 4.021 0.000) 5.599 4.923 ( -0.198 -0.984 0.000) 1.004 4.975 ( -3.135 0.533 0.000) 3.180 5.114 ( 2.793 -4.057 0.000) 4.925 5.118 ( 3.224 -6.754 0.000) 7.484 5.282 ( 5.895 2.306 0.000) 6.330 5.326 ( 7.687 -1.491 0.000) 7.830 5.338 ( 2.056 1.165 0.000) 2.363 5.387 ( 2.051 -1.781 0.000) 2.716 5.423 ( 0.245 3.749 0.000) 3.757 5.447 ( 0.795 1.142 0.000) 1.392 5.481 ( -0.067 -0.031 0.000) 0.074 5.567 ( -3.131 -4.779 0.000) 5.713 5.606 ( -0.392 2.499 0.000) 2.530 5.645 ( 0.525 -1.896 0.000) 1.967 5.664 ( -1.695 1.368 0.000) 2.178 5.687 ( -2.562 -1.131 0.000) 2.800 5.947 ( 1.469 0.289 0.000) 1.498 5.975 ( 0.820 -1.903 0.000) 2.072 6.107 ( -1.267 -0.978 0.000) 1.600 6.108 ( -1.068 -0.722 0.000) 1.289 6.124 ( 0.199 0.681 0.000) 0.710 6.170 ( -1.955 -2.423 0.000) 3.113 6.197 ( 1.647 3.256 0.000) 3.649 6.251 ( 0.254 0.376 0.000) 0.453 6.430 ( -0.788 0.749 0.000) 1.087 6.436 ( -0.175 2.271 0.000) 2.278 6.459 ( -1.372 -0.978 0.000) 1.685 6.466 ( -0.223 -2.228 0.000) 2.239 6.574 ( -1.384 0.189 0.000) 1.396 6.604 ( -2.048 -2.395 0.000) 3.151 6.769 ( 3.394 -1.572 0.000) 3.740 6.802 ( 5.261 -4.185 0.000) 6.723 6.922 ( -2.376 2.958 0.000) 3.794 6.937 ( 1.085 -0.327 0.000) 1.134 7.014 ( 0.757 1.033 0.000) 1.281 7.064 ( 0.019 -1.527 0.000) 1.527 7.181 ( 0.630 0.359 0.000) 0.726 7.216 ( 2.136 -1.974 0.000) 2.909 7.298 ( -2.020 2.267 0.000) 3.036 7.328 ( -1.964 -0.333 0.000) 1.992 8.217 ( 2.083 4.433 0.000) 4.898 8.280 ( 0.934 -0.632 0.000) 1.128 8.392 ( -0.910 4.614 0.000) 4.703 8.423 ( -0.991 2.469 0.000) 2.661 8.510 ( 0.533 0.632 0.000) 0.826 8.519 ( 0.196 -0.140 0.000) 0.241 8.680 ( 1.005 -2.924 0.000) 3.092 8.687 ( 0.358 -3.987 0.000) 4.003 8.762 ( -1.907 -0.236 0.000) 1.921 8.800 ( -2.990 -2.641 0.000) 3.989 8.905 ( 1.227 4.011 0.000) 4.195 8.919 ( 1.876 1.081 0.000) 2.165 8.952 ( 3.756 0.324 0.000) 3.770 9.041 ( 1.776 -6.082 0.000) 6.336 9.124 ( -3.451 2.583 0.000) 4.311 9.178 ( -2.904 -2.673 0.000) 3.947 9.369 ( 1.928 -0.028 0.000) 1.928 9.374 ( 3.079 -0.287 0.000) 3.092 9.462 ( -1.296 1.933 0.000) 2.327 9.495 ( -1.480 -0.877 0.000) 1.721 9.524 ( 1.030 2.333 0.000) 2.550 9.559 ( 0.610 -0.835 0.000) 1.034 9.740 ( -3.880 3.535 0.000) 5.249 9.793 ( -6.577 -0.822 0.000) 6.628 ======================= Grid point 12 (9/45) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -2.884 13.634 0.000) 13.935 1.600 ( 2.884 13.634 0.000) 13.935 1.771 ( -0.726 -3.152 0.000) 3.235 1.771 ( 0.726 -3.152 0.000) 3.235 1.817 ( -6.542 16.708 0.000) 17.943 1.817 ( 6.542 16.708 0.000) 17.943 2.112 ( -0.655 -5.750 0.000) 5.787 2.112 ( 0.655 -5.750 0.000) 5.787 2.202 ( -7.015 -5.692 0.000) 9.034 2.202 ( 7.015 -5.692 0.000) 9.034 2.366 ( -4.220 -9.262 0.000) 10.178 2.366 ( 4.220 -9.262 0.000) 10.178 2.455 ( -0.545 -3.288 0.000) 3.332 2.455 ( 0.545 -3.288 0.000) 3.332 2.605 ( -4.108 -6.229 0.000) 7.462 2.605 ( 4.108 -6.229 0.000) 7.462 2.825 ( -15.572 12.677 0.000) 20.080 2.825 ( 15.572 12.677 0.000) 20.080 3.049 ( -7.933 5.530 0.000) 9.670 3.049 ( 7.933 5.530 0.000) 9.670 3.203 ( -1.302 -3.160 0.000) 3.418 3.203 ( 1.302 -3.160 0.000) 3.418 3.307 ( -4.518 -6.269 0.000) 7.727 3.307 ( 4.518 -6.269 0.000) 7.727 3.339 ( -4.636 3.811 0.000) 6.001 3.339 ( 4.636 3.811 0.000) 6.001 3.525 ( -0.692 -4.494 0.000) 4.547 3.525 ( 0.692 -4.494 0.000) 4.547 3.612 ( -0.800 4.427 0.000) 4.499 3.612 ( 0.800 4.427 0.000) 4.499 3.735 ( -3.984 -4.506 0.000) 6.015 3.735 ( 3.984 -4.506 0.000) 6.015 3.835 ( -0.990 -3.193 0.000) 3.343 3.835 ( 0.990 -3.193 0.000) 3.343 3.898 ( -3.011 -1.993 0.000) 3.611 3.898 ( 3.011 -1.993 0.000) 3.611 4.192 ( -1.337 4.633 0.000) 4.823 4.192 ( 1.337 4.633 0.000) 4.823 4.283 ( -2.535 5.628 0.000) 6.172 4.283 ( 2.535 5.628 0.000) 6.172 4.318 ( -5.356 -4.707 0.000) 7.130 4.318 ( 5.356 -4.707 0.000) 7.130 4.409 ( -0.849 -1.797 0.000) 1.988 4.409 ( 0.849 -1.797 0.000) 1.988 4.517 ( -0.250 1.275 0.000) 1.300 4.517 ( 0.250 1.275 0.000) 1.300 4.544 ( -0.282 4.668 0.000) 4.676 4.544 ( 0.282 4.668 0.000) 4.676 4.646 ( -4.415 -4.829 0.000) 6.543 4.646 ( 4.415 -4.829 0.000) 6.543 4.668 ( -0.935 1.308 0.000) 1.608 4.668 ( 0.935 1.308 0.000) 1.608 4.759 ( -3.333 -0.508 0.000) 3.371 4.759 ( 3.333 -0.508 0.000) 3.371 4.896 ( -3.112 7.041 0.000) 7.698 4.896 ( 3.112 7.041 0.000) 7.698 4.930 ( -0.983 -0.520 0.000) 1.112 4.930 ( 0.983 -0.520 0.000) 1.112 5.146 ( -0.427 -5.495 0.000) 5.512 5.146 ( 0.427 -5.495 0.000) 5.512 5.377 ( -1.706 0.633 0.000) 1.820 5.377 ( 1.706 0.633 0.000) 1.820 5.413 ( -2.080 3.804 0.000) 4.335 5.413 ( 2.080 3.804 0.000) 4.335 5.458 ( -1.158 0.770 0.000) 1.391 5.458 ( 1.158 0.770 0.000) 1.391 5.496 ( -4.340 -3.438 0.000) 5.537 5.496 ( 4.340 -3.438 0.000) 5.537 5.599 ( -0.709 0.275 0.000) 0.761 5.599 ( 0.709 0.275 0.000) 0.761 5.666 ( -0.515 0.328 0.000) 0.611 5.666 ( 0.515 0.328 0.000) 0.611 5.976 ( -0.830 -0.904 0.000) 1.228 5.976 ( 0.830 -0.904 0.000) 1.228 6.087 ( -0.238 -1.201 0.000) 1.224 6.087 ( 0.238 -1.201 0.000) 1.224 6.138 ( -1.063 -0.657 0.000) 1.249 6.138 ( 1.063 -0.657 0.000) 1.249 6.231 ( -1.587 1.989 0.000) 2.544 6.231 ( 1.587 1.989 0.000) 2.544 6.420 ( -0.547 1.369 0.000) 1.474 6.420 ( 0.547 1.369 0.000) 1.474 6.475 ( -0.805 -3.308 0.000) 3.405 6.475 ( 0.805 -3.308 0.000) 3.405 6.562 ( -0.958 -1.206 0.000) 1.540 6.562 ( 0.958 -1.206 0.000) 1.540 6.824 ( -2.014 -1.285 0.000) 2.389 6.824 ( 2.014 -1.285 0.000) 2.389 6.938 ( -1.820 0.208 0.000) 1.832 6.938 ( 1.820 0.208 0.000) 1.832 7.036 ( -1.657 -1.251 0.000) 2.076 7.036 ( 1.657 -1.251 0.000) 2.076 7.231 ( -2.980 2.082 0.000) 3.635 7.231 ( 2.980 2.082 0.000) 3.635 7.276 ( -2.360 -1.073 0.000) 2.592 7.276 ( 2.360 -1.073 0.000) 2.592 8.268 ( -2.084 3.313 0.000) 3.915 8.268 ( 2.084 3.313 0.000) 3.915 8.395 ( -1.251 1.964 0.000) 2.329 8.395 ( 1.251 1.964 0.000) 2.329 8.519 ( -0.239 0.352 0.000) 0.426 8.519 ( 0.239 0.352 0.000) 0.426 8.696 ( -0.145 -3.265 0.000) 3.268 8.696 ( 0.145 -3.265 0.000) 3.268 8.749 ( -1.240 -1.824 0.000) 2.206 8.749 ( 1.240 -1.824 0.000) 2.206 8.931 ( -0.743 2.173 0.000) 2.297 8.931 ( 0.743 2.173 0.000) 2.297 9.037 ( -3.997 2.354 0.000) 4.639 9.037 ( 3.997 2.354 0.000) 4.639 9.104 ( -3.461 -4.463 0.000) 5.648 9.104 ( 3.461 -4.463 0.000) 5.648 9.417 ( -1.898 1.321 0.000) 2.313 9.417 ( 1.898 1.321 0.000) 2.313 9.451 ( -2.427 -0.433 0.000) 2.465 9.451 ( 2.427 -0.433 0.000) 2.465 9.555 ( -1.397 0.726 0.000) 1.574 9.555 ( 1.397 0.726 0.000) 1.574 9.692 ( -1.293 1.594 0.000) 2.052 9.692 ( 1.293 1.594 0.000) 2.052 ======================= Grid point 25 (10/45) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( 0.000 0.000 25.759) 25.759 0.617 ( 0.000 0.000 31.369) 31.369 1.013 ( 0.000 0.000 51.512) 51.512 1.875 ( 0.000 0.000 2.565) 2.565 1.914 ( 0.000 0.000 16.874) 16.874 2.094 ( 0.000 0.000 1.938) 1.938 2.123 ( 0.000 0.000 -5.721) 5.721 2.241 ( 0.000 0.000 4.698) 4.698 2.242 ( 0.000 0.000 8.085) 8.085 2.311 ( 0.000 0.000 5.728) 5.728 2.313 ( 0.000 0.000 9.465) 9.465 2.540 ( 0.000 0.000 -7.333) 7.333 2.603 ( 0.000 0.000 -0.729) 0.729 2.662 ( 0.000 0.000 3.932) 3.932 2.734 ( 0.000 0.000 7.203) 7.203 2.789 ( 0.000 0.000 -3.324) 3.324 2.948 ( 0.000 0.000 -5.344) 5.344 3.013 ( 0.000 0.000 5.545) 5.545 3.106 ( 0.000 0.000 -4.313) 4.313 3.144 ( 0.000 0.000 -10.645) 10.645 3.213 ( 0.000 0.000 7.328) 7.328 3.332 ( 0.000 0.000 6.373) 6.373 3.341 ( 0.000 0.000 -4.504) 4.504 3.355 ( 0.000 0.000 1.522) 1.522 3.483 ( 0.000 0.000 -4.889) 4.889 3.485 ( 0.000 0.000 -0.727) 0.727 3.501 ( 0.000 0.000 3.414) 3.414 3.607 ( 0.000 0.000 -2.460) 2.460 3.674 ( 0.000 0.000 2.873) 2.873 3.720 ( 0.000 0.000 0.375) 0.375 3.764 ( 0.000 0.000 -0.182) 0.182 3.767 ( 0.000 0.000 -0.243) 0.243 3.853 ( 0.000 0.000 9.473) 9.473 3.907 ( 0.000 0.000 5.102) 5.102 3.933 ( 0.000 0.000 2.070) 2.070 4.035 ( 0.000 0.000 0.998) 0.998 4.052 ( 0.000 0.000 -11.525) 11.525 4.074 ( 0.000 0.000 4.277) 4.277 4.165 ( 0.000 0.000 -5.456) 5.456 4.240 ( 0.000 0.000 -2.016) 2.016 4.257 ( 0.000 0.000 -3.211) 3.211 4.267 ( 0.000 0.000 1.871) 1.871 4.270 ( 0.000 0.000 -1.546) 1.546 4.328 ( 0.000 0.000 -2.459) 2.459 4.339 ( 0.000 0.000 1.032) 1.032 4.394 ( 0.000 0.000 1.093) 1.093 4.463 ( 0.000 0.000 0.763) 0.763 4.478 ( 0.000 0.000 3.711) 3.711 4.498 ( 0.000 0.000 -1.514) 1.514 4.507 ( 0.000 0.000 -7.963) 7.963 4.632 ( 0.000 0.000 9.108) 9.108 4.635 ( 0.000 0.000 -0.694) 0.694 4.686 ( 0.000 0.000 -5.844) 5.844 4.842 ( 0.000 0.000 -4.215) 4.215 4.895 ( 0.000 0.000 -4.190) 4.190 4.997 ( 0.000 0.000 2.178) 2.178 5.032 ( 0.000 0.000 0.365) 0.365 5.062 ( 0.000 0.000 2.759) 2.759 5.124 ( 0.000 0.000 -3.565) 3.565 5.132 ( 0.000 0.000 0.004) 0.004 5.219 ( 0.000 0.000 0.781) 0.781 5.230 ( 0.000 0.000 7.681) 7.681 5.289 ( 0.000 0.000 4.623) 4.623 5.342 ( 0.000 0.000 -1.512) 1.512 5.423 ( 0.000 0.000 0.251) 0.251 5.432 ( 0.000 0.000 1.028) 1.028 5.520 ( 0.000 0.000 -5.498) 5.498 5.574 ( 0.000 0.000 4.947) 4.947 5.602 ( 0.000 0.000 -4.124) 4.124 5.675 ( 0.000 0.000 -9.314) 9.314 5.755 ( 0.000 0.000 -0.023) 0.023 5.826 ( 0.000 0.000 -2.569) 2.569 5.926 ( 0.000 0.000 -9.402) 9.402 5.954 ( 0.000 0.000 -0.289) 0.289 6.081 ( 0.000 0.000 0.994) 0.994 6.153 ( 0.000 0.000 6.452) 6.452 6.165 ( 0.000 0.000 -3.015) 3.015 6.185 ( 0.000 0.000 0.497) 0.497 6.205 ( 0.000 0.000 0.881) 0.881 6.222 ( 0.000 0.000 0.251) 0.251 6.408 ( 0.000 0.000 3.333) 3.333 6.451 ( 0.000 0.000 -0.577) 0.577 6.583 ( 0.000 0.000 0.989) 0.989 6.641 ( 0.000 0.000 3.178) 3.178 6.650 ( 0.000 0.000 7.952) 7.952 6.753 ( 0.000 0.000 5.346) 5.346 6.771 ( 0.000 0.000 -1.143) 1.143 6.790 ( 0.000 0.000 -0.014) 0.014 6.939 ( 0.000 0.000 -4.506) 4.506 6.972 ( 0.000 0.000 -1.030) 1.030 7.015 ( 0.000 0.000 0.493) 0.493 7.208 ( 0.000 0.000 -4.379) 4.379 7.238 ( 0.000 0.000 7.172) 7.172 7.248 ( 0.000 0.000 -0.037) 0.037 7.255 ( 0.000 0.000 -2.375) 2.375 7.312 ( 0.000 0.000 1.096) 1.096 8.090 ( 0.000 0.000 1.947) 1.947 8.229 ( 0.000 0.000 2.227) 2.227 8.268 ( 0.000 0.000 -0.039) 0.039 8.301 ( 0.000 0.000 -0.106) 0.106 8.493 ( 0.000 0.000 0.616) 0.616 8.521 ( 0.000 0.000 0.390) 0.390 8.738 ( 0.000 0.000 -0.871) 0.871 8.739 ( 0.000 0.000 0.053) 0.053 8.766 ( 0.000 0.000 0.618) 0.618 8.863 ( 0.000 0.000 -0.163) 0.163 8.865 ( 0.000 0.000 -1.305) 1.305 8.901 ( 0.000 0.000 0.674) 0.674 8.905 ( 0.000 0.000 1.171) 1.171 9.068 ( 0.000 0.000 1.794) 1.794 9.226 ( 0.000 0.000 -3.548) 3.548 9.234 ( 0.000 0.000 -3.496) 3.496 9.291 ( 0.000 0.000 -1.163) 1.163 9.369 ( 0.000 0.000 -1.411) 1.411 9.392 ( 0.000 0.000 -2.575) 2.575 9.398 ( 0.000 0.000 4.058) 4.058 9.414 ( 0.000 0.000 -3.107) 3.107 9.502 ( 0.000 0.000 -0.070) 0.070 9.609 ( 0.000 0.000 -2.230) 2.230 9.627 ( 0.000 0.000 -3.785) 3.785 ======================= Grid point 26 (11/45) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 20.386 0.000 17.532) 26.889 0.912 ( 22.181 0.000 20.810) 30.414 1.443 ( 32.684 0.000 32.146) 45.843 1.708 ( -15.254 0.000 11.867) 19.327 1.912 ( -17.792 0.000 6.035) 18.788 1.962 ( 4.083 0.000 1.102) 4.229 2.153 ( -5.460 0.000 9.028) 10.551 2.177 ( 3.301 0.000 2.572) 4.185 2.267 ( 6.172 0.000 -1.822) 6.436 2.275 ( 2.949 0.000 10.682) 11.082 2.296 ( 0.201 0.000 4.031) 4.036 2.500 ( -10.923 0.000 3.642) 11.514 2.600 ( -5.067 0.000 -1.841) 5.391 2.692 ( 5.379 0.000 0.160) 5.382 2.736 ( 9.428 0.000 -5.112) 10.724 2.846 ( 1.693 0.000 0.538) 1.776 2.931 ( -4.542 0.000 3.400) 5.673 2.975 ( -2.784 0.000 0.482) 2.825 3.125 ( 1.258 0.000 3.290) 3.522 3.170 ( 2.410 0.000 -10.379) 10.655 3.210 ( -25.457 0.000 7.014) 26.406 3.292 ( -1.810 0.000 1.691) 2.476 3.294 ( 1.810 0.000 0.293) 1.834 3.335 ( -5.627 0.000 0.447) 5.645 3.353 ( 0.042 0.000 -4.483) 4.483 3.463 ( -0.755 0.000 0.774) 1.082 3.542 ( 1.018 0.000 2.546) 2.742 3.586 ( 2.756 0.000 -0.578) 2.816 3.644 ( 3.325 0.000 2.391) 4.095 3.705 ( -2.080 0.000 -0.943) 2.284 3.732 ( -5.371 0.000 4.854) 7.239 3.758 ( 2.949 0.000 -5.324) 6.086 3.860 ( 4.113 0.000 3.228) 5.229 3.874 ( -0.191 0.000 2.063) 2.072 3.942 ( -0.302 0.000 6.566) 6.573 4.017 ( -2.163 0.000 2.766) 3.511 4.065 ( -0.134 0.000 -7.912) 7.913 4.140 ( -1.548 0.000 -5.586) 5.797 4.175 ( 5.235 0.000 -3.909) 6.533 4.196 ( -2.127 0.000 -3.720) 4.285 4.229 ( -1.110 0.000 0.595) 1.259 4.256 ( -4.341 0.000 -0.682) 4.394 4.351 ( 0.863 0.000 -3.579) 3.682 4.374 ( 2.722 0.000 -2.030) 3.396 4.395 ( 4.105 0.000 -0.754) 4.174 4.416 ( -2.582 0.000 -3.037) 3.986 4.461 ( 0.365 0.000 0.494) 0.614 4.479 ( -0.169 0.000 -2.323) 2.329 4.504 ( 4.259 0.000 2.157) 4.774 4.558 ( -0.285 0.000 -0.651) 0.710 4.644 ( 1.325 0.000 2.138) 2.515 4.675 ( -1.682 0.000 -2.976) 3.419 4.715 ( 16.800 0.000 4.954) 17.515 4.864 ( -1.628 0.000 -1.532) 2.236 4.892 ( -7.509 0.000 -3.837) 8.433 4.932 ( -4.051 0.000 -1.110) 4.200 4.976 ( 2.674 0.000 0.153) 2.678 5.003 ( -0.218 0.000 -0.198) 0.295 5.160 ( -0.841 0.000 -2.379) 2.524 5.206 ( 2.888 0.000 2.413) 3.763 5.215 ( -1.809 0.000 6.696) 6.936 5.262 ( 6.028 0.000 1.765) 6.281 5.346 ( 1.772 0.000 -2.583) 3.133 5.415 ( 3.329 0.000 2.305) 4.049 5.449 ( 1.519 0.000 -1.238) 1.960 5.462 ( 4.239 0.000 2.150) 4.753 5.524 ( 0.861 0.000 -3.046) 3.165 5.534 ( -2.104 0.000 -0.433) 2.148 5.572 ( -2.773 0.000 0.727) 2.867 5.624 ( -4.401 0.000 -7.017) 8.283 5.670 ( -5.665 0.000 4.656) 7.332 5.751 ( -4.271 0.000 -0.853) 4.355 5.936 ( 4.470 0.000 -9.410) 10.418 6.027 ( 3.535 0.000 0.161) 3.539 6.065 ( -0.930 0.000 -1.510) 1.773 6.129 ( -1.758 0.000 -1.679) 2.431 6.143 ( -0.966 0.000 4.709) 4.807 6.182 ( -0.980 0.000 -0.584) 1.140 6.207 ( 0.118 0.000 -0.573) 0.585 6.209 ( -1.770 0.000 1.113) 2.091 6.369 ( -0.279 0.000 4.049) 4.058 6.446 ( -2.519 0.000 -2.949) 3.878 6.595 ( 1.053 0.000 0.790) 1.316 6.661 ( 1.829 0.000 2.754) 3.306 6.677 ( -3.469 0.000 -0.155) 3.473 6.704 ( 1.070 0.000 4.751) 4.870 6.783 ( 4.073 0.000 8.958) 9.840 6.917 ( 5.849 0.000 -2.095) 6.213 6.973 ( 0.872 0.000 -0.046) 0.873 6.998 ( -1.300 0.000 0.350) 1.346 7.056 ( 6.419 0.000 -6.542) 9.165 7.093 ( -8.240 0.000 9.148) 12.312 7.204 ( -4.159 0.000 -2.293) 4.749 7.209 ( -1.316 0.000 -2.640) 2.949 7.265 ( 0.987 0.000 0.142) 0.997 7.306 ( -0.541 0.000 0.948) 1.092 8.107 ( 1.704 0.000 2.325) 2.882 8.208 ( -1.843 0.000 2.237) 2.898 8.272 ( 0.360 0.000 -0.014) 0.360 8.296 ( -0.491 0.000 -0.050) 0.493 8.496 ( 0.280 0.000 0.521) 0.591 8.515 ( -0.464 0.000 0.313) 0.560 8.742 ( 0.333 0.000 -0.107) 0.350 8.746 ( 0.429 0.000 -0.780) 0.890 8.852 ( 4.447 0.000 -0.980) 4.554 8.864 ( 0.223 0.000 -0.713) 0.747 8.879 ( 1.010 0.000 -0.659) 1.206 8.889 ( -0.497 0.000 0.788) 0.932 8.917 ( 0.308 0.000 0.731) 0.793 9.001 ( -3.459 0.000 4.382) 5.583 9.244 ( 1.080 0.000 -2.807) 3.008 9.283 ( 2.261 0.000 -3.583) 4.237 9.348 ( -2.699 0.000 0.370) 2.724 9.356 ( 2.518 0.000 -5.046) 5.639 9.379 ( 1.836 0.000 -4.891) 5.225 9.428 ( 1.456 0.000 0.585) 1.569 9.433 ( 2.391 0.000 -1.428) 2.785 9.491 ( -1.046 0.000 0.068) 1.049 9.546 ( -3.721 0.000 -2.596) 4.537 9.600 ( -2.942 0.000 -2.764) 4.037 ======================= Grid point 27 (12/45) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -21.989 0.000 12.232) 25.162 1.274 ( 21.989 0.000 12.232) 25.162 1.435 ( -24.240 0.000 12.214) 27.143 1.435 ( 24.240 0.000 12.214) 27.143 2.049 ( -3.196 0.000 6.310) 7.073 2.049 ( 3.196 0.000 6.310) 7.073 2.165 ( -22.961 0.000 8.342) 24.429 2.165 ( 22.961 0.000 8.342) 24.429 2.262 ( -3.309 0.000 2.225) 3.987 2.262 ( 3.309 0.000 2.225) 3.987 2.449 ( -8.352 0.000 -3.438) 9.032 2.449 ( 8.352 0.000 -3.438) 9.032 2.525 ( -23.456 0.000 13.391) 27.010 2.525 ( 23.456 0.000 13.391) 27.010 2.771 ( -3.517 0.000 3.892) 5.246 2.771 ( 3.517 0.000 3.892) 5.246 2.900 ( -5.286 0.000 -0.437) 5.304 2.900 ( 5.286 0.000 -0.437) 5.304 3.039 ( -10.007 0.000 0.682) 10.031 3.039 ( 10.007 0.000 0.682) 10.031 3.254 ( -4.154 0.000 -10.167) 10.982 3.254 ( 4.154 0.000 -10.167) 10.982 3.295 ( -2.677 0.000 0.149) 2.682 3.295 ( 2.677 0.000 0.149) 2.682 3.421 ( -3.976 0.000 1.301) 4.184 3.421 ( 3.976 0.000 1.301) 4.184 3.611 ( -4.903 0.000 4.180) 6.443 3.611 ( 4.903 0.000 4.180) 6.443 3.619 ( -3.426 0.000 -0.293) 3.438 3.619 ( 3.426 0.000 -0.293) 3.438 3.826 ( -3.276 0.000 -4.577) 5.628 3.826 ( 3.276 0.000 -4.577) 5.628 3.835 ( -7.426 0.000 2.819) 7.943 3.835 ( 7.426 0.000 2.819) 7.943 3.958 ( -2.010 0.000 11.341) 11.518 3.958 ( 2.010 0.000 11.341) 11.518 4.089 ( -4.710 0.000 -2.623) 5.391 4.089 ( 4.710 0.000 -2.623) 5.391 4.180 ( -2.157 0.000 -5.790) 6.179 4.180 ( 2.157 0.000 -5.790) 6.179 4.217 ( -0.741 0.000 -3.021) 3.110 4.217 ( 0.741 0.000 -3.021) 3.110 4.350 ( -1.281 0.000 -1.717) 2.142 4.350 ( 1.281 0.000 -1.717) 2.142 4.451 ( -0.080 0.000 -2.221) 2.223 4.451 ( 0.080 0.000 -2.221) 2.223 4.488 ( -2.492 0.000 -1.450) 2.883 4.488 ( 2.492 0.000 -1.450) 2.883 4.585 ( -5.905 0.000 -1.617) 6.123 4.585 ( 5.905 0.000 -1.617) 6.123 4.690 ( -8.848 0.000 -0.621) 8.870 4.690 ( 8.848 0.000 -0.621) 8.870 4.721 ( -5.890 0.000 0.989) 5.972 4.721 ( 5.890 0.000 0.989) 5.972 4.971 ( -2.725 0.000 -2.639) 3.793 4.971 ( 2.725 0.000 -2.639) 3.793 5.000 ( -6.099 0.000 1.473) 6.274 5.000 ( 6.099 0.000 1.473) 6.274 5.137 ( -3.666 0.000 1.993) 4.173 5.137 ( 3.666 0.000 1.993) 4.173 5.293 ( -3.630 0.000 0.581) 3.677 5.293 ( 3.630 0.000 0.581) 3.677 5.413 ( -3.652 0.000 -1.968) 4.149 5.413 ( 3.652 0.000 -1.968) 4.149 5.488 ( -3.782 0.000 4.240) 5.682 5.488 ( 3.782 0.000 4.240) 5.682 5.505 ( -3.724 0.000 -4.461) 5.811 5.505 ( 3.724 0.000 -4.461) 5.811 5.582 ( -2.687 0.000 1.547) 3.100 5.582 ( 2.687 0.000 1.547) 3.100 5.641 ( -6.382 0.000 0.021) 6.382 5.641 ( 6.382 0.000 0.021) 6.382 6.035 ( -2.946 0.000 -5.379) 6.133 6.035 ( 2.946 0.000 -5.379) 6.133 6.083 ( -2.427 0.000 0.767) 2.545 6.083 ( 2.427 0.000 0.767) 2.545 6.148 ( -2.470 0.000 2.450) 3.479 6.148 ( 2.470 0.000 2.450) 3.479 6.191 ( -1.333 0.000 -2.174) 2.550 6.191 ( 1.333 0.000 -2.174) 2.550 6.391 ( -2.041 0.000 0.124) 2.045 6.391 ( 2.041 0.000 0.124) 2.045 6.624 ( -1.656 0.000 0.275) 1.678 6.624 ( 1.656 0.000 0.275) 1.678 6.695 ( -1.217 0.000 3.008) 3.245 6.695 ( 1.217 0.000 3.008) 3.245 6.917 ( -7.405 0.000 10.829) 13.119 6.917 ( 7.405 0.000 10.829) 13.119 6.967 ( -1.126 0.000 -0.613) 1.282 6.967 ( 1.126 0.000 -0.613) 1.282 7.083 ( -6.462 0.000 -1.533) 6.642 7.083 ( 6.462 0.000 -1.533) 6.642 7.162 ( -3.275 0.000 -4.910) 5.902 7.162 ( 3.275 0.000 -4.910) 5.902 7.288 ( -1.030 0.000 0.555) 1.170 7.288 ( 1.030 0.000 0.555) 1.170 8.156 ( -2.604 0.000 2.292) 3.469 8.156 ( 2.604 0.000 2.292) 3.469 8.283 ( -0.610 0.000 0.006) 0.610 8.283 ( 0.610 0.000 0.006) 0.610 8.504 ( -0.462 0.000 0.341) 0.574 8.504 ( 0.462 0.000 0.341) 0.574 8.749 ( -0.150 0.000 -0.448) 0.472 8.749 ( 0.150 0.000 -0.448) 0.472 8.873 ( -0.598 0.000 -0.339) 0.687 8.873 ( 0.598 0.000 -0.339) 0.687 8.909 ( -1.088 0.000 0.216) 1.110 8.909 ( 1.088 0.000 0.216) 1.110 8.931 ( -3.163 0.000 2.224) 3.867 8.931 ( 3.163 0.000 2.224) 3.867 9.286 ( -2.664 0.000 -0.971) 2.835 9.286 ( 2.664 0.000 -0.971) 2.835 9.332 ( -2.174 0.000 -3.536) 4.151 9.332 ( 2.174 0.000 -3.536) 4.151 9.461 ( -3.348 0.000 -4.671) 5.747 9.461 ( 3.348 0.000 -4.671) 5.747 9.461 ( -1.547 0.000 0.280) 1.572 9.461 ( 1.547 0.000 0.280) 1.572 9.517 ( -3.896 0.000 -2.219) 4.484 9.517 ( 3.896 0.000 -2.219) 4.484 ======================= Grid point 30 (13/45) ======================= q-point: ( 0.00 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 0.000 23.044 15.509) 27.777 0.899 ( 0.000 21.099 19.953) 29.040 1.494 ( 0.000 35.519 32.082) 47.863 1.876 ( 0.000 1.067 -1.232) 1.630 1.968 ( 0.000 4.073 15.214) 15.750 2.067 ( 0.000 -5.429 -5.591) 7.793 2.108 ( 0.000 -1.557 8.714) 8.852 2.186 ( 0.000 -3.209 9.232) 9.773 2.281 ( 0.000 -2.641 5.242) 5.870 2.320 ( 0.000 7.071 5.078) 8.706 2.457 ( 0.000 0.680 -2.580) 2.668 2.533 ( 0.000 0.002 -3.907) 3.907 2.559 ( 0.000 -7.253 -0.760) 7.292 2.602 ( 0.000 -0.818 3.348) 3.447 2.606 ( 0.000 -10.958 3.718) 11.571 2.807 ( 0.000 -2.081 0.077) 2.083 2.820 ( 0.000 -2.488 -3.297) 4.130 2.955 ( 0.000 -7.000 -8.476) 10.993 2.987 ( 0.000 -4.748 -4.422) 6.489 3.163 ( 0.000 -6.624 1.451) 6.781 3.169 ( 0.000 -6.466 3.594) 7.398 3.254 ( 0.000 0.786 -4.101) 4.175 3.359 ( 0.000 -4.206 -3.172) 5.268 3.368 ( 0.000 3.322 6.165) 7.003 3.458 ( 0.000 -5.032 -1.458) 5.239 3.508 ( 0.000 1.114 1.506) 1.873 3.526 ( 0.000 3.136 -3.065) 4.386 3.548 ( 0.000 3.993 -0.545) 4.030 3.720 ( 0.000 2.139 5.384) 5.793 3.736 ( 0.000 -3.587 3.127) 4.759 3.826 ( 0.000 4.391 -0.995) 4.502 3.846 ( 0.000 -0.607 3.578) 3.629 3.923 ( 0.000 -12.628 -2.118) 12.804 3.941 ( 0.000 3.768 -2.097) 4.312 3.950 ( 0.000 2.327 5.403) 5.883 3.965 ( 0.000 6.918 -0.804) 6.965 4.007 ( 0.000 -1.643 -6.333) 6.543 4.058 ( 0.000 8.141 2.089) 8.405 4.142 ( 0.000 -2.341 -3.788) 4.453 4.218 ( 0.000 -1.811 -2.427) 3.028 4.239 ( 0.000 -2.151 0.309) 2.173 4.241 ( 0.000 -1.834 1.779) 2.555 4.325 ( 0.000 3.336 -1.999) 3.889 4.385 ( 0.000 9.450 -2.808) 9.859 4.402 ( 0.000 1.842 -0.139) 1.847 4.419 ( 0.000 -0.414 0.104) 0.427 4.453 ( 0.000 0.439 1.041) 1.130 4.514 ( 0.000 5.892 -0.880) 5.957 4.542 ( 0.000 0.273 -1.706) 1.727 4.576 ( 0.000 3.699 1.719) 4.079 4.631 ( 0.000 4.512 0.520) 4.542 4.696 ( 0.000 5.115 7.992) 9.489 4.750 ( 0.000 3.259 -6.829) 7.567 4.776 ( 0.000 -2.645 1.723) 3.157 4.848 ( 0.000 0.256 -1.949) 1.966 4.906 ( 0.000 -7.115 0.961) 7.179 5.053 ( 0.000 -2.221 2.741) 3.528 5.101 ( 0.000 3.697 -2.994) 4.757 5.113 ( 0.000 -1.392 -3.459) 3.729 5.123 ( 0.000 -0.793 1.075) 1.336 5.185 ( 0.000 -4.621 3.325) 5.693 5.241 ( 0.000 -4.318 3.164) 5.353 5.255 ( 0.000 1.604 -1.854) 2.451 5.342 ( 0.000 1.217 1.976) 2.321 5.421 ( 0.000 0.049 -0.571) 0.573 5.440 ( 0.000 -1.827 1.004) 2.085 5.537 ( 0.000 0.097 -2.475) 2.477 5.560 ( 0.000 -2.047 -3.745) 4.268 5.568 ( 0.000 0.198 0.598) 0.630 5.682 ( 0.000 0.822 -5.174) 5.239 5.685 ( 0.000 -2.423 0.628) 2.504 5.790 ( 0.000 -4.572 0.394) 4.589 5.912 ( 0.000 0.840 -7.442) 7.489 5.949 ( 0.000 -0.528 0.462) 0.701 6.106 ( 0.000 1.615 -1.187) 2.004 6.143 ( 0.000 -0.088 3.434) 3.435 6.144 ( 0.000 -1.548 -1.951) 2.491 6.177 ( 0.000 -1.314 1.860) 2.278 6.207 ( 0.000 1.731 3.162) 3.605 6.261 ( 0.000 0.841 0.982) 1.293 6.397 ( 0.000 1.260 3.919) 4.116 6.466 ( 0.000 0.989 -0.729) 1.229 6.557 ( 0.000 -5.412 4.304) 6.915 6.559 ( 0.000 -2.568 2.971) 3.927 6.680 ( 0.000 0.762 5.837) 5.886 6.738 ( 0.000 -1.527 5.521) 5.729 6.760 ( 0.000 -1.206 -0.572) 1.335 6.777 ( 0.000 -1.477 1.270) 1.948 6.888 ( 0.000 1.716 0.879) 1.928 7.005 ( 0.000 2.283 -0.413) 2.320 7.011 ( 0.000 -1.179 -0.908) 1.488 7.035 ( 0.000 -7.144 7.877) 10.634 7.219 ( 0.000 -0.718 -3.129) 3.211 7.234 ( 0.000 -1.505 0.070) 1.506 7.244 ( 0.000 1.216 -1.771) 2.148 7.342 ( 0.000 1.076 1.116) 1.551 8.120 ( 0.000 3.189 2.019) 3.774 8.268 ( 0.000 1.946 1.445) 2.424 8.296 ( 0.000 3.617 0.392) 3.638 8.344 ( 0.000 3.604 -0.256) 3.613 8.496 ( 0.000 0.336 0.614) 0.700 8.521 ( 0.000 0.057 0.264) 0.270 8.734 ( 0.000 -2.331 0.295) 2.350 8.770 ( 0.000 2.122 -1.134) 2.406 8.803 ( 0.000 -4.823 0.098) 4.824 8.854 ( 0.000 -2.049 0.472) 2.102 8.864 ( 0.000 1.183 -0.771) 1.412 8.878 ( 0.000 0.168 1.031) 1.045 8.920 ( 0.000 0.572 -1.258) 1.382 9.109 ( 0.000 2.703 0.845) 2.832 9.150 ( 0.000 -5.520 -2.991) 6.278 9.204 ( 0.000 -2.556 -4.262) 4.970 9.347 ( 0.000 0.287 0.800) 0.850 9.368 ( 0.000 -2.447 -2.105) 3.228 9.406 ( 0.000 4.062 -4.726) 6.232 9.408 ( 0.000 1.111 -2.831) 3.041 9.498 ( 0.000 2.931 -1.193) 3.165 9.541 ( 0.000 1.880 -0.327) 1.908 9.656 ( 0.000 2.591 -4.433) 5.134 9.718 ( 0.000 6.716 -12.075) 13.817 ======================= Grid point 31 (14/45) ======================= q-point: ( 0.25 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 15.467 18.063 12.811) 27.011 1.099 ( 16.596 15.676 15.058) 27.348 1.761 ( 17.467 19.283 21.066) 33.477 1.794 ( -12.681 7.064 10.163) 17.720 1.890 ( -0.378 3.804 3.025) 4.875 1.981 ( -9.274 3.998 6.066) 11.781 2.103 ( -2.702 -2.915 7.052) 8.095 2.171 ( 2.045 -5.469 -0.955) 5.917 2.234 ( 0.544 -3.895 5.288) 6.590 2.269 ( 0.237 2.240 8.980) 9.258 2.398 ( 0.068 2.808 -0.864) 2.938 2.468 ( -6.925 0.896 5.902) 9.143 2.564 ( -2.635 -3.269 1.019) 4.321 2.600 ( 1.935 -9.454 1.561) 9.776 2.747 ( 3.270 -2.789 -1.777) 4.651 2.781 ( 3.443 -0.383 -0.777) 3.550 2.853 ( 3.687 -4.302 -1.343) 5.823 2.935 ( -0.981 -11.795 2.509) 12.099 3.006 ( 2.289 -7.885 0.094) 8.211 3.108 ( -1.309 -1.518 -1.586) 2.556 3.175 ( -4.553 -6.639 -0.924) 8.103 3.243 ( -1.489 5.958 -3.855) 7.250 3.324 ( -1.572 -1.388 1.354) 2.496 3.359 ( -24.127 8.012 6.709) 26.293 3.408 ( -3.851 0.944 -6.570) 7.674 3.440 ( 4.265 -2.878 3.086) 6.000 3.486 ( -1.986 -2.058 -0.061) 2.861 3.533 ( 2.485 -3.188 3.093) 5.090 3.707 ( -2.827 0.294 2.693) 3.915 3.728 ( 2.866 4.065 1.287) 5.138 3.763 ( -0.547 2.708 -1.400) 3.097 3.827 ( 0.238 -2.755 5.993) 6.600 3.863 ( 2.033 -2.223 1.138) 3.220 3.951 ( -0.848 -2.293 0.304) 2.463 3.972 ( 0.354 -7.278 -3.224) 7.968 4.008 ( -0.046 6.687 -2.486) 7.135 4.025 ( 0.847 0.968 -2.051) 2.421 4.036 ( 1.426 3.440 1.080) 3.877 4.109 ( -3.327 -2.256 -1.429) 4.266 4.211 ( 2.369 -0.001 -3.146) 3.939 4.249 ( 0.876 1.511 -3.397) 3.820 4.294 ( 0.833 3.771 -4.492) 5.924 4.387 ( -1.967 4.525 -3.104) 5.829 4.400 ( 0.260 1.509 -1.531) 2.165 4.408 ( 0.413 -0.324 -2.069) 2.135 4.441 ( 2.912 1.526 -2.296) 4.010 4.511 ( -0.062 3.967 0.283) 3.977 4.540 ( -0.597 0.856 0.299) 1.086 4.548 ( -1.122 3.979 2.804) 4.995 4.623 ( 4.710 5.071 -1.774) 7.144 4.650 ( 6.807 -1.085 1.825) 7.131 4.712 ( 3.552 0.658 5.386) 6.485 4.744 ( -0.815 4.428 -1.761) 4.834 4.786 ( 1.769 -2.714 -1.283) 3.485 4.843 ( -7.466 -4.457 -1.413) 8.809 4.859 ( 3.520 -0.787 0.703) 3.675 4.923 ( -5.382 -0.745 1.464) 5.627 5.106 ( -0.589 -2.619 -2.815) 3.890 5.118 ( 0.366 1.352 1.884) 2.348 5.175 ( 0.332 -1.614 -0.927) 1.890 5.244 ( 5.214 -2.302 2.149) 6.091 5.256 ( 1.734 1.700 -2.241) 3.304 5.319 ( 1.530 -2.310 -0.381) 2.797 5.405 ( 4.720 -0.681 1.974) 5.161 5.439 ( -1.218 -2.171 -1.172) 2.751 5.470 ( 4.477 -0.462 -0.200) 4.506 5.500 ( -1.450 0.032 -4.566) 4.791 5.557 ( -1.082 -0.214 3.088) 3.279 5.570 ( 1.078 1.941 -0.701) 2.328 5.643 ( -3.057 1.554 -3.972) 5.248 5.668 ( -2.025 0.178 2.946) 3.579 5.716 ( -4.162 -2.744 -0.189) 4.988 5.944 ( 3.617 0.200 -8.059) 8.836 5.994 ( 2.088 -1.055 0.684) 2.437 6.097 ( -2.039 -0.834 -0.850) 2.362 6.110 ( -0.901 1.654 0.436) 1.933 6.127 ( -1.503 -1.494 -1.565) 2.634 6.152 ( -0.689 -2.300 0.557) 2.465 6.229 ( -0.106 2.927 3.335) 4.438 6.254 ( -0.625 1.410 1.708) 2.301 6.389 ( -0.458 1.418 2.567) 2.968 6.427 ( -2.350 -0.253 -1.336) 2.716 6.550 ( 1.575 -4.233 3.355) 5.626 6.604 ( 1.899 -3.867 3.173) 5.350 6.645 ( -1.792 -1.951 3.641) 4.503 6.711 ( -2.022 -1.124 3.542) 4.231 6.813 ( 3.555 3.254 4.972) 6.924 6.889 ( 5.777 -3.776 0.038) 6.902 6.933 ( 2.536 -2.410 0.242) 3.506 6.997 ( -2.342 -4.417 7.168) 8.739 7.007 ( -0.185 -0.159 -0.685) 0.727 7.044 ( 3.386 1.002 -1.371) 3.788 7.184 ( -3.231 -1.678 -2.466) 4.398 7.213 ( -1.699 1.586 -2.661) 3.533 7.259 ( 1.251 -0.534 0.077) 1.363 7.324 ( -1.421 0.920 0.864) 1.901 8.143 ( 1.965 3.317 2.007) 4.346 8.252 ( -1.831 3.519 1.924) 4.408 8.305 ( 0.969 2.443 -0.300) 2.645 8.339 ( -0.415 3.568 -0.264) 3.602 8.501 ( 0.402 0.464 0.524) 0.807 8.518 ( -0.244 0.270 0.248) 0.440 8.749 ( 1.162 -1.825 0.089) 2.165 8.781 ( 0.716 1.971 -0.706) 2.212 8.807 ( 0.214 -4.831 0.581) 4.870 8.820 ( -1.422 -2.495 0.456) 2.908 8.876 ( 0.264 -0.432 0.508) 0.717 8.890 ( 0.584 0.715 -0.832) 1.243 8.940 ( 1.662 1.612 -0.680) 2.413 9.051 ( -3.761 3.292 1.427) 5.198 9.165 ( 1.299 -5.634 -2.214) 6.192 9.224 ( 0.456 -3.281 -2.102) 3.924 9.347 ( -0.542 -0.525 -3.449) 3.531 9.375 ( 1.067 -0.030 -1.999) 2.266 9.389 ( -0.503 0.720 -1.683) 1.899 9.432 ( 1.645 1.882 -3.866) 4.604 9.479 ( -1.282 2.174 -0.845) 2.661 9.546 ( -0.191 2.312 -0.625) 2.403 9.593 ( -3.439 2.963 -5.704) 7.290 9.669 ( -3.248 5.733 -4.336) 7.887 ======================= Grid point 32 (15/45) ======================= q-point: (-0.50 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -13.054 9.993 10.051) 19.268 1.396 ( 13.054 9.993 10.051) 19.268 1.554 ( -14.693 10.976 9.276) 20.553 1.554 ( 14.693 10.976 9.276) 20.553 1.958 ( -6.920 -7.648 4.246) 11.154 1.958 ( 6.920 -7.648 4.246) 11.154 2.191 ( -4.395 3.789 7.638) 9.593 2.191 ( 4.395 3.789 7.638) 9.593 2.269 ( -3.066 0.061 1.934) 3.625 2.269 ( 3.066 0.061 1.934) 3.625 2.482 ( -5.513 -1.269 -2.270) 6.096 2.482 ( 5.513 -1.269 -2.270) 6.096 2.611 ( -17.630 3.191 11.397) 21.234 2.611 ( 17.630 3.191 11.397) 21.234 2.686 ( -13.048 -0.538 8.423) 15.540 2.686 ( 13.048 -0.538 8.423) 15.540 2.904 ( -2.445 -9.790 -1.139) 10.155 2.904 ( 2.445 -9.790 -1.139) 10.155 2.995 ( -6.593 -2.356 2.135) 7.320 2.995 ( 6.593 -2.356 2.135) 7.320 3.131 ( -4.173 4.316 -1.161) 6.115 3.131 ( 4.173 4.316 -1.161) 6.115 3.251 ( -4.468 -2.531 -5.402) 7.453 3.251 ( 4.468 -2.531 -5.402) 7.453 3.428 ( -4.030 -1.851 -2.725) 5.205 3.428 ( 4.030 -1.851 -2.725) 5.205 3.536 ( -3.343 -3.723 4.538) 6.755 3.536 ( 3.343 -3.723 4.538) 6.755 3.708 ( -3.868 1.584 -1.837) 4.565 3.708 ( 3.868 1.584 -1.837) 4.565 3.823 ( -2.732 1.253 1.454) 3.339 3.823 ( 2.732 1.253 1.454) 3.339 3.877 ( -1.895 -6.319 7.010) 9.626 3.877 ( 1.895 -6.319 7.010) 9.626 3.991 ( -0.666 5.415 -3.432) 6.446 3.991 ( 0.666 5.415 -3.432) 6.446 4.049 ( -0.770 -3.319 -1.079) 3.574 4.049 ( 0.770 -3.319 -1.079) 3.574 4.139 ( -5.775 4.184 0.734) 7.169 4.139 ( 5.775 4.184 0.734) 7.169 4.297 ( -2.981 5.718 -4.828) 8.056 4.297 ( 2.981 5.718 -4.828) 8.056 4.398 ( -1.674 1.138 -2.444) 3.173 4.398 ( 1.674 1.138 -2.444) 3.173 4.412 ( -2.110 -2.886 -3.222) 4.812 4.412 ( 2.110 -2.886 -3.222) 4.812 4.528 ( -0.546 2.995 -0.242) 3.054 4.528 ( 0.546 2.995 -0.242) 3.054 4.630 ( -6.799 2.368 -2.486) 7.616 4.630 ( 6.799 2.368 -2.486) 7.616 4.708 ( -0.609 2.967 2.026) 3.644 4.708 ( 0.609 2.967 2.026) 3.644 4.758 ( -4.365 -1.388 -1.055) 4.700 4.758 ( 4.365 -1.388 -1.055) 4.700 4.826 ( -3.669 -3.602 0.495) 5.165 4.826 ( 3.669 -3.602 0.495) 5.165 5.027 ( -6.918 -1.490 4.424) 8.346 5.027 ( 6.918 -1.490 4.424) 8.346 5.141 ( -2.138 0.675 -3.581) 4.225 5.141 ( 2.138 0.675 -3.581) 4.225 5.316 ( -1.332 0.189 -0.224) 1.364 5.316 ( 1.332 0.189 -0.224) 1.364 5.349 ( -2.687 -3.611 -3.504) 5.704 5.349 ( 2.687 -3.611 -3.504) 5.704 5.487 ( -2.380 0.385 -1.313) 2.745 5.487 ( 2.380 0.385 -1.313) 2.745 5.556 ( -3.219 2.367 1.315) 4.206 5.556 ( 3.219 2.367 1.315) 4.206 5.578 ( -2.596 -0.525 2.435) 3.598 5.578 ( 2.596 -0.525 2.435) 3.598 5.649 ( -3.182 0.959 -0.023) 3.323 5.649 ( 3.182 0.959 -0.023) 3.323 6.019 ( -1.594 -1.278 -5.608) 5.968 6.019 ( 1.594 -1.278 -5.608) 5.968 6.070 ( -1.908 -0.311 1.412) 2.394 6.070 ( 1.908 -0.311 1.412) 2.394 6.124 ( -1.037 -2.020 -0.477) 2.320 6.124 ( 1.037 -2.020 -0.477) 2.320 6.236 ( -0.900 2.936 1.859) 3.589 6.236 ( 0.900 2.936 1.859) 3.589 6.391 ( -0.861 0.320 0.264) 0.955 6.391 ( 0.861 0.320 0.264) 0.955 6.596 ( -2.233 -3.120 2.535) 4.599 6.596 ( 2.233 -3.120 2.535) 4.599 6.659 ( -2.522 -2.052 2.969) 4.403 6.659 ( 2.522 -2.052 2.969) 4.403 6.898 ( -4.124 -0.878 8.501) 9.489 6.898 ( 4.124 -0.878 8.501) 9.489 6.967 ( -1.020 -1.814 -1.367) 2.490 6.967 ( 1.020 -1.814 -1.367) 2.490 7.059 ( -4.576 -1.463 -0.459) 4.826 7.059 ( 4.576 -1.463 -0.459) 4.826 7.160 ( -2.910 1.139 -3.499) 4.692 7.160 ( 2.910 1.139 -3.499) 4.692 7.290 ( -1.559 -0.001 0.387) 1.607 7.290 ( 1.559 -0.001 0.387) 1.607 8.198 ( -2.823 3.592 1.974) 4.977 8.198 ( 2.823 3.592 1.974) 4.977 8.326 ( -0.791 3.171 -0.336) 3.285 8.326 ( 0.791 3.171 -0.336) 3.285 8.511 ( -0.414 0.533 0.337) 0.754 8.511 ( 0.414 0.533 0.337) 0.754 8.776 ( -1.153 0.329 -0.326) 1.243 8.776 ( 1.153 0.329 -0.326) 1.243 8.809 ( -0.179 -4.347 0.921) 4.447 8.809 ( 0.179 -4.347 0.921) 4.447 8.889 ( -0.632 0.112 -0.188) 0.668 8.889 ( 0.632 0.112 -0.188) 0.668 8.982 ( -2.342 2.810 0.678) 3.721 8.982 ( 2.342 2.810 0.678) 3.721 9.203 ( -1.934 -5.136 -1.259) 5.631 9.203 ( 1.934 -5.136 -1.259) 5.631 9.353 ( -1.157 0.640 -3.874) 4.093 9.353 ( 1.157 0.640 -3.874) 4.093 9.429 ( -2.123 -0.218 -1.787) 2.783 9.429 ( 2.123 -0.218 -1.787) 2.783 9.495 ( -2.813 1.326 -2.857) 4.223 9.495 ( 2.813 1.326 -2.857) 4.223 9.600 ( -2.578 4.887 -2.046) 5.892 9.600 ( 2.578 4.887 -2.046) 5.892 ======================= Grid point 35 (16/45) ======================= q-point: ( 0.00 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 0.000 22.270 8.968) 24.007 1.379 ( 0.000 20.449 9.026) 22.352 1.845 ( 0.000 -12.681 -3.843) 13.250 1.857 ( 0.000 -14.078 4.874) 14.898 1.946 ( 0.000 5.494 -1.951) 5.830 2.077 ( 0.000 2.798 12.534) 12.842 2.138 ( 0.000 -1.572 11.842) 11.946 2.158 ( 0.000 -10.368 6.364) 12.165 2.265 ( 0.000 21.282 6.742) 22.325 2.371 ( 0.000 -2.890 -0.927) 3.035 2.427 ( 0.000 3.315 9.902) 10.442 2.465 ( 0.000 -0.357 6.776) 6.786 2.571 ( 0.000 14.294 5.299) 15.245 2.600 ( 0.000 4.278 1.224) 4.450 2.602 ( 0.000 -9.196 3.141) 9.718 2.715 ( 0.000 7.511 8.549) 11.380 2.736 ( 0.000 -12.319 -3.170) 12.720 2.871 ( 0.000 -2.204 -5.795) 6.200 2.886 ( 0.000 2.588 -1.175) 2.842 2.938 ( 0.000 -6.623 0.945) 6.690 3.079 ( 0.000 -7.175 -1.951) 7.436 3.196 ( 0.000 -16.921 9.089) 19.207 3.309 ( 0.000 3.287 -4.184) 5.320 3.346 ( 0.000 1.353 -4.309) 4.517 3.438 ( 0.000 2.273 -1.337) 2.637 3.545 ( 0.000 0.839 0.231) 0.870 3.545 ( 0.000 -2.833 -1.532) 3.221 3.568 ( 0.000 -0.062 1.258) 1.260 3.588 ( 0.000 -8.017 -0.730) 8.050 3.666 ( 0.000 -9.198 4.803) 10.377 3.767 ( 0.000 3.734 0.214) 3.740 3.826 ( 0.000 -1.613 -3.472) 3.828 3.898 ( 0.000 2.799 -0.711) 2.888 3.948 ( 0.000 -1.189 -0.392) 1.252 3.970 ( 0.000 -0.897 -0.401) 0.982 3.971 ( 0.000 0.394 0.109) 0.409 4.134 ( 0.000 1.706 -2.190) 2.776 4.142 ( 0.000 0.577 -2.356) 2.426 4.160 ( 0.000 -0.253 -1.274) 1.299 4.170 ( 0.000 0.459 -1.604) 1.668 4.246 ( 0.000 1.636 -1.640) 2.317 4.269 ( 0.000 5.340 -0.245) 5.346 4.355 ( 0.000 -0.006 -1.087) 1.087 4.430 ( 0.000 0.913 -2.843) 2.986 4.460 ( 0.000 8.114 -2.391) 8.460 4.550 ( 0.000 2.381 2.195) 3.238 4.551 ( 0.000 0.343 -0.834) 0.902 4.585 ( 0.000 -1.503 -0.811) 1.708 4.601 ( 0.000 4.989 -0.237) 4.995 4.680 ( 0.000 10.396 -0.516) 10.408 4.722 ( 0.000 -5.566 2.268) 6.010 4.736 ( 0.000 4.111 -0.646) 4.161 4.802 ( 0.000 0.258 6.659) 6.664 4.810 ( 0.000 2.766 -0.369) 2.791 4.821 ( 0.000 3.051 -0.189) 3.057 4.846 ( 0.000 -1.471 0.447) 1.538 5.012 ( 0.000 -1.427 4.991) 5.191 5.041 ( 0.000 -5.045 -1.729) 5.333 5.060 ( 0.000 -4.097 1.286) 4.294 5.092 ( 0.000 -3.342 5.107) 6.103 5.144 ( 0.000 0.673 -5.521) 5.561 5.151 ( 0.000 -1.504 -1.701) 2.271 5.258 ( 0.000 0.167 -2.572) 2.577 5.321 ( 0.000 -5.724 -2.524) 6.256 5.422 ( 0.000 5.006 -0.587) 5.041 5.447 ( 0.000 1.579 -1.255) 2.017 5.505 ( 0.000 -1.966 0.436) 2.014 5.534 ( 0.000 -2.471 -4.542) 5.171 5.587 ( 0.000 1.051 -4.279) 4.406 5.627 ( 0.000 -3.091 -1.837) 3.595 5.715 ( 0.000 1.764 1.553) 2.350 5.736 ( 0.000 -0.413 4.121) 4.141 5.927 ( 0.000 0.501 -2.871) 2.915 5.936 ( 0.000 -0.477 0.250) 0.539 6.108 ( 0.000 -0.481 -1.499) 1.574 6.113 ( 0.000 -1.078 -1.360) 1.736 6.165 ( 0.000 0.886 1.961) 2.152 6.179 ( 0.000 1.675 1.123) 2.017 6.233 ( 0.000 0.149 2.641) 2.645 6.256 ( 0.000 -1.133 2.489) 2.734 6.421 ( 0.000 -0.609 0.512) 0.795 6.425 ( 0.000 -2.269 1.029) 2.491 6.554 ( 0.000 3.722 3.032) 4.801 6.556 ( 0.000 4.158 3.849) 5.666 6.649 ( 0.000 -3.264 4.637) 5.670 6.663 ( 0.000 -5.067 2.909) 5.842 6.747 ( 0.000 0.199 4.095) 4.100 6.766 ( 0.000 -0.941 4.222) 4.325 6.923 ( 0.000 -0.427 1.241) 1.312 6.959 ( 0.000 -2.882 -0.954) 3.035 6.995 ( 0.000 4.252 0.212) 4.258 7.049 ( 0.000 0.708 -0.379) 0.803 7.170 ( 0.000 -1.799 -1.280) 2.207 7.188 ( 0.000 -2.377 -0.040) 2.377 7.310 ( 0.000 3.021 -1.037) 3.194 7.350 ( 0.000 -0.624 -0.108) 0.634 8.207 ( 0.000 4.188 1.433) 4.426 8.274 ( 0.000 -1.467 0.972) 1.760 8.408 ( 0.000 4.950 0.300) 4.959 8.430 ( 0.000 3.134 -0.358) 3.154 8.507 ( 0.000 0.638 0.533) 0.831 8.519 ( 0.000 -0.309 0.384) 0.493 8.674 ( 0.000 -2.587 0.474) 2.631 8.690 ( 0.000 -4.455 0.640) 4.500 8.789 ( 0.000 1.020 -0.699) 1.237 8.854 ( 0.000 -3.565 -0.585) 3.613 8.873 ( 0.000 1.948 -0.764) 2.092 8.885 ( 0.000 -0.626 -0.069) 0.630 8.901 ( 0.000 3.161 0.911) 3.289 9.018 ( 0.000 -6.268 -0.715) 6.308 9.157 ( 0.000 1.418 -1.208) 1.863 9.174 ( 0.000 -0.529 -3.837) 3.873 9.336 ( 0.000 -0.325 -0.703) 0.774 9.343 ( 0.000 -0.578 0.681) 0.893 9.435 ( 0.000 1.204 -3.560) 3.758 9.449 ( 0.000 0.286 -4.202) 4.211 9.539 ( 0.000 1.520 0.423) 1.578 9.559 ( 0.000 -0.162 0.337) 0.374 9.725 ( 0.000 3.267 -6.249) 7.051 9.775 ( 0.000 -0.715 -9.484) 9.511 ======================= Grid point 36 (17/45) ======================= q-point: ( 0.25 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 8.186 16.952 5.604) 19.641 1.490 ( 9.196 17.960 7.242) 21.438 1.818 ( -1.017 -4.012 0.379) 4.156 1.881 ( -5.042 -1.122 4.128) 6.612 1.940 ( 3.315 -7.793 2.811) 8.923 2.039 ( -0.108 0.097 2.800) 2.803 2.088 ( -3.854 0.704 13.568) 14.122 2.190 ( -1.408 -0.601 6.961) 7.127 2.280 ( -5.807 -0.573 8.251) 10.106 2.324 ( -0.118 5.776 -0.805) 5.833 2.372 ( -0.564 0.725 2.091) 2.284 2.450 ( 0.130 0.580 3.891) 3.936 2.531 ( 4.914 6.040 10.427) 13.014 2.545 ( -10.013 -4.233 2.144) 11.081 2.575 ( -5.051 -9.920 0.972) 11.174 2.656 ( -1.119 -4.276 2.760) 5.211 2.737 ( 2.580 3.558 8.350) 9.436 2.899 ( 5.381 5.664 -1.532) 7.961 2.982 ( 3.692 -1.289 1.182) 4.085 3.034 ( 5.686 -1.168 -2.972) 6.522 3.159 ( 3.271 0.985 -1.994) 3.956 3.190 ( 0.999 -3.830 -0.778) 4.034 3.282 ( 2.881 -11.306 10.081) 15.419 3.356 ( -2.403 2.547 -0.938) 3.625 3.428 ( -5.775 -0.475 1.288) 5.936 3.438 ( -2.049 -0.346 -5.074) 5.483 3.486 ( 0.034 1.856 -0.814) 2.027 3.583 ( -4.029 0.128 4.315) 5.905 3.639 ( 0.708 -8.071 2.038) 8.355 3.721 ( 1.235 -4.091 3.151) 5.310 3.735 ( -5.387 3.523 0.319) 6.445 3.791 ( -2.958 -0.844 1.266) 3.327 3.805 ( -2.695 -2.016 -0.799) 3.459 3.857 ( -2.889 -0.167 -1.253) 3.153 3.883 ( -3.775 -1.549 -3.461) 5.351 3.995 ( -1.154 0.267 1.016) 1.560 4.130 ( 0.643 2.034 -1.061) 2.382 4.152 ( 1.085 3.029 -2.394) 4.011 4.189 ( 3.507 2.470 -3.791) 5.724 4.228 ( 3.236 2.930 -1.928) 4.772 4.251 ( 2.532 0.580 -3.671) 4.497 4.313 ( 1.940 -2.503 -5.918) 6.712 4.416 ( -0.931 -0.213 -2.223) 2.420 4.441 ( -1.226 0.405 -3.374) 3.612 4.453 ( -0.436 4.447 -2.832) 5.290 4.516 ( -1.268 0.400 -0.189) 1.343 4.531 ( 0.923 -2.248 4.356) 4.988 4.549 ( -3.552 -0.328 0.633) 3.623 4.591 ( -2.087 5.602 -1.899) 6.272 4.656 ( 0.713 3.480 0.342) 3.569 4.722 ( -0.185 -2.426 -1.136) 2.686 4.749 ( -0.127 1.041 1.185) 1.582 4.767 ( -3.107 -1.173 3.555) 4.865 4.814 ( -1.443 1.752 3.867) 4.484 4.826 ( 1.945 6.158 -0.769) 6.503 4.883 ( 5.459 1.720 2.769) 6.358 4.943 ( -1.330 2.231 -1.315) 2.911 5.018 ( -1.319 -2.980 1.752) 3.700 5.107 ( 2.827 -3.786 0.074) 4.725 5.135 ( 0.928 -2.360 1.252) 2.828 5.188 ( 3.165 -0.434 -3.925) 5.061 5.233 ( 0.392 -3.748 -4.319) 5.732 5.289 ( 2.292 0.897 -3.746) 4.482 5.352 ( 5.375 -3.581 -2.320) 6.863 5.439 ( 0.660 3.430 1.051) 3.647 5.476 ( 1.931 0.165 -1.934) 2.738 5.507 ( 0.903 -0.249 -3.047) 3.187 5.551 ( 0.357 -0.083 -0.654) 0.750 5.576 ( 0.131 -2.270 -0.298) 2.293 5.642 ( 0.971 -0.917 -0.482) 1.419 5.681 ( -1.415 1.247 2.609) 3.219 5.709 ( -2.826 1.305 2.936) 4.278 5.940 ( 1.943 -0.118 -4.998) 5.363 5.981 ( 2.735 -0.680 0.780) 2.924 6.085 ( -1.848 -0.566 -3.351) 3.869 6.106 ( -3.075 0.909 1.987) 3.772 6.119 ( -0.931 -0.637 1.305) 1.725 6.136 ( -2.688 -0.262 -0.919) 2.852 6.261 ( 0.899 0.330 3.321) 3.456 6.270 ( 0.432 -0.062 1.657) 1.714 6.411 ( -0.256 0.940 0.664) 1.179 6.435 ( 0.743 -1.694 0.468) 1.908 6.511 ( -1.662 2.987 4.726) 5.832 6.556 ( -0.027 0.284 4.833) 4.842 6.601 ( -1.604 -2.005 3.449) 4.300 6.656 ( -0.906 -3.479 3.959) 5.348 6.807 ( 3.542 -2.358 3.448) 5.477 6.862 ( 4.740 -0.531 5.052) 6.947 6.908 ( -1.346 -1.475 -0.392) 2.034 6.944 ( 0.046 1.224 0.860) 1.496 7.002 ( 0.393 1.359 -1.120) 1.804 7.059 ( 0.140 -1.481 -0.374) 1.534 7.160 ( 0.139 0.404 -1.864) 1.912 7.215 ( 1.917 -1.521 -0.358) 2.474 7.286 ( -2.015 2.437 -0.879) 3.283 7.330 ( -1.746 -0.506 0.077) 1.819 8.231 ( 2.081 4.185 1.412) 4.883 8.292 ( 1.165 -0.750 1.137) 1.793 8.389 ( -1.320 4.466 -0.115) 4.659 8.417 ( -1.114 2.430 -0.488) 2.717 8.514 ( 0.479 0.606 0.502) 0.921 8.522 ( 0.185 -0.032 0.376) 0.420 8.682 ( 0.779 -3.372 0.371) 3.480 8.706 ( 1.186 -3.300 1.409) 3.779 8.761 ( -1.787 -0.414 -0.075) 1.836 8.798 ( -2.695 -2.343 -0.183) 3.576 8.903 ( 1.377 2.353 -0.255) 2.738 8.916 ( 1.482 2.638 -0.443) 3.058 8.952 ( 3.827 -0.008 -0.096) 3.829 9.033 ( 1.665 -6.040 -0.940) 6.336 9.097 ( -3.251 0.746 -2.420) 4.121 9.184 ( -1.596 -0.450 0.362) 1.697 9.342 ( 0.883 0.466 -2.814) 2.986 9.361 ( 1.661 -0.963 -1.437) 2.399 9.422 ( -1.137 1.611 -3.328) 3.869 9.447 ( -0.430 -0.432 -3.975) 4.021 9.520 ( -0.874 1.299 -0.225) 1.582 9.572 ( -0.689 0.402 -0.142) 0.810 9.649 ( -3.040 1.679 -7.116) 7.918 9.751 ( -2.819 1.535 -4.439) 5.478 ======================= Grid point 37 (18/45) ======================= q-point: (-0.50 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -4.223 7.061 1.779) 8.417 1.615 ( 4.223 7.061 1.779) 8.417 1.837 ( -6.603 3.626 5.365) 9.248 1.837 ( 6.603 3.626 5.365) 9.248 1.897 ( -4.951 13.331 7.125) 15.906 1.897 ( 4.951 13.331 7.125) 15.906 2.169 ( -4.594 -5.368 3.261) 7.782 2.169 ( 4.594 -5.368 3.261) 7.782 2.246 ( -6.285 -7.157 7.557) 12.159 2.246 ( 6.285 -7.158 7.557) 12.159 2.415 ( -3.409 -5.991 2.375) 7.291 2.415 ( 3.409 -5.991 2.375) 7.291 2.445 ( -5.372 -1.716 1.887) 5.946 2.445 ( 5.372 -1.716 1.887) 5.946 2.629 ( -3.271 -8.411 3.450) 9.662 2.629 ( 3.271 -8.411 3.450) 9.662 2.920 ( -8.886 5.938 6.062) 12.287 2.920 ( 8.886 5.938 6.062) 12.287 3.074 ( -12.135 9.303 4.093) 15.829 3.074 ( 12.135 9.303 4.093) 15.829 3.165 ( -4.281 -2.433 -1.707) 5.212 3.165 ( 4.281 -2.433 -1.707) 5.212 3.308 ( -3.345 5.949 0.018) 6.825 3.308 ( 3.345 5.949 0.018) 6.825 3.405 ( -2.514 -4.419 5.009) 7.137 3.405 ( 2.514 -4.419 5.009) 7.137 3.477 ( -2.073 3.333 -2.760) 4.798 3.477 ( 2.073 3.333 -2.760) 4.798 3.662 ( -2.778 -6.893 5.099) 9.013 3.662 ( 2.778 -6.893 5.099) 9.013 3.738 ( -3.670 -2.712 -0.769) 4.628 3.738 ( 3.670 -2.712 -0.769) 4.628 3.810 ( -2.296 -2.311 -2.547) 4.135 3.810 ( 2.296 -2.311 -2.547) 4.135 3.903 ( -4.601 -3.043 0.465) 5.536 3.903 ( 4.601 -3.043 0.465) 5.536 4.169 ( -0.562 3.314 -2.399) 4.130 4.169 ( 0.562 3.314 -2.399) 4.130 4.248 ( -2.603 1.481 -2.678) 4.018 4.248 ( 2.603 1.481 -2.678) 4.018 4.314 ( -3.405 -0.281 -1.942) 3.930 4.314 ( 3.405 -0.281 -1.942) 3.930 4.389 ( -1.118 -1.023 -2.206) 2.676 4.389 ( 1.118 -1.023 -2.206) 2.676 4.454 ( -1.773 4.270 -4.606) 6.526 4.454 ( 1.773 4.270 -4.606) 6.526 4.528 ( -1.078 0.505 0.319) 1.232 4.528 ( 1.078 0.505 0.319) 1.232 4.648 ( -5.007 -3.477 0.717) 6.138 4.648 ( 5.007 -3.477 0.717) 6.138 4.706 ( -2.433 0.681 -3.739) 4.512 4.706 ( 2.433 0.681 -3.739) 4.512 4.776 ( -1.824 2.324 6.037) 6.721 4.776 ( 1.824 2.324 6.037) 6.721 4.896 ( -3.497 5.434 -0.278) 6.468 4.896 ( 3.497 5.434 -0.278) 6.468 4.989 ( -2.069 -1.083 2.931) 3.748 4.989 ( 2.069 -1.083 2.931) 3.748 5.134 ( -0.657 -1.946 -0.771) 2.194 5.134 ( 0.657 -1.946 -0.771) 2.194 5.223 ( -0.834 -3.883 -6.791) 7.867 5.223 ( 0.834 -3.883 -6.791) 7.867 5.367 ( -3.063 1.729 -3.103) 4.690 5.367 ( 3.063 1.729 -3.103) 4.690 5.490 ( -1.634 -0.201 -4.866) 5.137 5.490 ( 1.634 -0.201 -4.866) 5.137 5.534 ( -4.090 -1.674 2.731) 5.195 5.534 ( 4.090 -1.674 2.731) 5.195 5.610 ( -4.112 1.259 3.579) 5.594 5.610 ( 4.112 1.259 3.579) 5.594 5.677 ( -0.448 1.101 1.336) 1.788 5.677 ( 0.448 1.101 1.336) 1.788 6.006 ( -3.821 0.109 -5.755) 6.909 6.006 ( 3.821 0.109 -5.755) 6.909 6.047 ( -3.104 -1.521 2.275) 4.138 6.047 ( 3.104 -1.521 2.275) 4.138 6.102 ( -0.959 -0.059 0.013) 0.961 6.102 ( 0.959 -0.059 0.013) 0.961 6.269 ( -0.262 0.178 2.241) 2.264 6.269 ( 0.262 0.178 2.241) 2.264 6.426 ( -1.345 2.402 0.550) 2.807 6.426 ( 1.345 2.402 0.550) 2.807 6.524 ( -2.238 -2.428 4.632) 5.688 6.524 ( 2.238 -2.428 4.632) 5.688 6.622 ( -2.174 -1.178 4.560) 5.188 6.622 ( 2.174 -1.178 4.560) 5.188 6.856 ( -1.769 -2.757 2.851) 4.342 6.856 ( 1.769 -2.757 2.851) 4.342 6.947 ( -1.331 1.166 1.531) 2.339 6.947 ( 1.331 1.166 1.531) 2.339 7.027 ( -2.254 -1.551 -0.964) 2.901 7.027 ( 2.254 -1.551 -0.964) 2.901 7.206 ( -3.165 2.023 -2.159) 4.333 7.206 ( 3.165 2.023 -2.159) 4.333 7.282 ( -2.276 -0.654 0.434) 2.408 7.282 ( 2.276 -0.654 0.434) 2.408 8.284 ( -2.149 3.200 1.490) 4.133 8.284 ( 2.149 3.200 1.490) 4.133 8.387 ( -1.302 1.771 -0.695) 2.306 8.387 ( 1.302 1.771 -0.695) 2.306 8.522 ( -0.202 0.397 0.420) 0.612 8.522 ( 0.202 0.397 0.420) 0.612 8.708 ( -1.418 -3.215 0.939) 3.637 8.708 ( 1.418 -3.215 0.939) 3.637 8.752 ( -1.451 -1.752 0.342) 2.300 8.752 ( 1.451 -1.752 0.342) 2.300 8.928 ( -0.547 2.229 -0.449) 2.339 8.928 ( 0.547 2.229 -0.449) 2.339 9.028 ( -3.101 0.811 -1.002) 3.358 9.028 ( 3.101 0.811 -1.002) 3.358 9.105 ( -4.581 -2.935 0.260) 5.447 9.105 ( 4.581 -2.935 0.260) 5.447 9.376 ( -1.754 1.277 -5.418) 5.836 9.376 ( 1.754 1.277 -5.418) 5.836 9.418 ( -1.957 -0.866 -2.116) 3.010 9.418 ( 1.957 -0.866 -2.116) 3.010 9.522 ( -1.460 0.799 -2.188) 2.749 9.522 ( 1.460 0.799 -2.188) 2.749 9.675 ( -3.401 1.788 -2.008) 4.335 9.675 ( 3.401 1.788 -2.008) 4.335 ======================= Grid point 50 (19/45) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 0.000 0.000 22.780) 22.780 1.202 ( 0.000 0.000 28.867) 28.867 1.946 ( 0.000 0.000 6.152) 6.152 1.971 ( 0.000 0.000 45.253) 45.253 1.987 ( 0.000 0.000 -7.999) 7.999 2.192 ( 0.000 0.000 7.959) 7.959 2.290 ( 0.000 0.000 19.248) 19.248 2.366 ( 0.000 0.000 8.028) 8.028 2.378 ( 0.000 0.000 -8.408) 8.408 2.404 ( 0.000 0.000 7.601) 7.601 2.419 ( 0.000 0.000 4.571) 4.571 2.505 ( 0.000 0.000 9.337) 9.337 2.580 ( 0.000 0.000 -2.024) 2.024 2.731 ( 0.000 0.000 2.314) 2.314 2.767 ( 0.000 0.000 1.547) 1.547 2.797 ( 0.000 0.000 -7.362) 7.362 2.930 ( 0.000 0.000 11.565) 11.565 3.000 ( 0.000 0.000 -5.639) 5.639 3.075 ( 0.000 0.000 1.892) 1.892 3.127 ( 0.000 0.000 5.781) 5.781 3.248 ( 0.000 0.000 -5.560) 5.560 3.375 ( 0.000 0.000 5.410) 5.410 3.391 ( 0.000 0.000 2.254) 2.254 3.433 ( 0.000 0.000 1.553) 1.553 3.464 ( 0.000 0.000 6.944) 6.944 3.495 ( 0.000 0.000 -4.824) 4.824 3.497 ( 0.000 0.000 4.289) 4.289 3.598 ( 0.000 0.000 4.913) 4.913 3.701 ( 0.000 0.000 -1.789) 1.789 3.702 ( 0.000 0.000 -7.379) 7.379 3.768 ( 0.000 0.000 2.312) 2.312 3.779 ( 0.000 0.000 3.487) 3.487 3.843 ( 0.000 0.000 -4.568) 4.568 3.864 ( 0.000 0.000 -6.846) 6.846 3.892 ( 0.000 0.000 -4.235) 4.235 4.048 ( 0.000 0.000 -5.746) 5.746 4.051 ( 0.000 0.000 4.019) 4.019 4.107 ( 0.000 0.000 -1.110) 1.110 4.123 ( 0.000 0.000 6.377) 6.377 4.172 ( 0.000 0.000 -6.011) 6.011 4.230 ( 0.000 0.000 -1.666) 1.666 4.246 ( 0.000 0.000 0.771) 0.771 4.288 ( 0.000 0.000 -1.850) 1.850 4.328 ( 0.000 0.000 3.306) 3.306 4.358 ( 0.000 0.000 -5.460) 5.460 4.406 ( 0.000 0.000 0.971) 0.971 4.430 ( 0.000 0.000 5.819) 5.819 4.471 ( 0.000 0.000 0.409) 0.409 4.496 ( 0.000 0.000 1.070) 1.070 4.510 ( 0.000 0.000 2.005) 2.005 4.558 ( 0.000 0.000 -6.200) 6.200 4.610 ( 0.000 0.000 -0.779) 0.779 4.744 ( 0.000 0.000 -6.122) 6.122 4.804 ( 0.000 0.000 8.187) 8.187 4.880 ( 0.000 0.000 2.783) 2.783 5.024 ( 0.000 0.000 -1.004) 1.004 5.035 ( 0.000 0.000 -5.293) 5.293 5.049 ( 0.000 0.000 1.476) 1.476 5.126 ( 0.000 0.000 4.402) 4.402 5.149 ( 0.000 0.000 1.209) 1.209 5.205 ( 0.000 0.000 -2.372) 2.372 5.293 ( 0.000 0.000 -5.517) 5.517 5.344 ( 0.000 0.000 1.941) 1.941 5.347 ( 0.000 0.000 1.235) 1.235 5.417 ( 0.000 0.000 -1.004) 1.004 5.437 ( 0.000 0.000 -1.466) 1.466 5.450 ( 0.000 0.000 -0.068) 0.068 5.509 ( 0.000 0.000 -5.473) 5.473 5.536 ( 0.000 0.000 -2.488) 2.488 5.660 ( 0.000 0.000 3.036) 3.036 5.701 ( 0.000 0.000 -5.302) 5.302 5.737 ( 0.000 0.000 -5.906) 5.906 5.816 ( 0.000 0.000 -0.441) 0.441 5.957 ( 0.000 0.000 0.801) 0.801 6.059 ( 0.000 0.000 -3.121) 3.121 6.097 ( 0.000 0.000 -3.854) 3.854 6.184 ( 0.000 0.000 -0.873) 0.873 6.230 ( 0.000 0.000 1.534) 1.534 6.238 ( 0.000 0.000 1.831) 1.831 6.256 ( 0.000 0.000 2.376) 2.376 6.448 ( 0.000 0.000 0.566) 0.566 6.464 ( 0.000 0.000 2.726) 2.726 6.607 ( 0.000 0.000 1.339) 1.339 6.683 ( 0.000 0.000 -3.712) 3.712 6.735 ( 0.000 0.000 -2.609) 2.609 6.736 ( 0.000 0.000 6.129) 6.129 6.781 ( 0.000 0.000 -0.988) 0.988 6.877 ( 0.000 0.000 6.619) 6.619 6.967 ( 0.000 0.000 0.610) 0.610 6.997 ( 0.000 0.000 9.244) 9.244 7.013 ( 0.000 0.000 -0.660) 0.660 7.106 ( 0.000 0.000 -5.434) 5.434 7.196 ( 0.000 0.000 -3.414) 3.414 7.265 ( 0.000 0.000 1.835) 1.835 7.333 ( 0.000 0.000 1.173) 1.173 7.361 ( 0.000 0.000 5.196) 5.196 8.140 ( 0.000 0.000 3.128) 3.128 8.273 ( 0.000 0.000 0.642) 0.642 8.280 ( 0.000 0.000 2.805) 2.805 8.300 ( 0.000 0.000 -0.040) 0.040 8.515 ( 0.000 0.000 1.735) 1.735 8.534 ( 0.000 0.000 0.905) 0.905 8.717 ( 0.000 0.000 -1.185) 1.185 8.733 ( 0.000 0.000 -0.815) 0.815 8.778 ( 0.000 0.000 0.484) 0.484 8.841 ( 0.000 0.000 -0.967) 0.967 8.849 ( 0.000 0.000 -1.408) 1.408 8.917 ( 0.000 0.000 1.017) 1.017 8.941 ( 0.000 0.000 2.470) 2.470 9.107 ( 0.000 0.000 1.633) 1.633 9.147 ( 0.000 0.000 -4.560) 4.560 9.172 ( 0.000 0.000 -2.839) 2.839 9.237 ( 0.000 0.000 -4.089) 4.089 9.321 ( 0.000 0.000 -3.808) 3.808 9.331 ( 0.000 0.000 -3.527) 3.527 9.346 ( 0.000 0.000 -3.190) 3.190 9.474 ( 0.000 0.000 3.657) 3.657 9.494 ( 0.000 0.000 -0.897) 0.897 9.527 ( 0.000 0.000 -6.285) 6.285 9.571 ( 0.000 0.000 -1.185) 1.185 ======================= Grid point 51 (20/45) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 14.877 0.000 19.500) 24.527 1.366 ( 13.812 0.000 24.497) 28.123 1.961 ( -18.144 0.000 11.924) 21.712 2.000 ( -3.011 0.000 -0.113) 3.013 2.014 ( 5.899 0.000 5.334) 7.953 2.119 ( 10.093 0.000 29.758) 31.423 2.241 ( 2.003 0.000 4.068) 4.534 2.274 ( -3.310 0.000 6.128) 6.965 2.349 ( -6.382 0.000 8.418) 10.563 2.398 ( -2.941 0.000 4.282) 5.195 2.441 ( 9.327 0.000 10.400) 13.970 2.553 ( -9.006 0.000 0.799) 9.042 2.593 ( -6.850 0.000 1.719) 7.062 2.668 ( 7.301 0.000 -2.079) 7.592 2.767 ( 10.954 0.000 9.049) 14.208 2.839 ( 1.209 0.000 -0.656) 1.376 2.989 ( 2.007 0.000 -0.770) 2.150 3.045 ( 0.435 0.000 1.356) 1.424 3.061 ( -1.392 0.000 8.929) 9.037 3.165 ( -4.856 0.000 -5.773) 7.543 3.177 ( 1.572 0.000 0.533) 1.660 3.329 ( -2.148 0.000 3.346) 3.976 3.345 ( -5.924 0.000 1.182) 6.041 3.375 ( -0.864 0.000 6.279) 6.338 3.454 ( -8.005 0.000 4.155) 9.019 3.508 ( -0.963 0.000 3.728) 3.850 3.551 ( -0.615 0.000 -3.349) 3.405 3.626 ( 0.758 0.000 4.370) 4.435 3.667 ( 6.001 0.000 0.454) 6.018 3.685 ( -3.151 0.000 3.353) 4.601 3.728 ( -2.050 0.000 2.039) 2.892 3.789 ( -5.606 0.000 -0.876) 5.674 3.820 ( -4.979 0.000 -2.351) 5.506 3.842 ( 5.761 0.000 -6.260) 8.507 3.941 ( 4.428 0.000 -2.452) 5.062 3.987 ( 4.574 0.000 0.270) 4.582 4.053 ( -0.759 0.000 -3.948) 4.020 4.087 ( -5.176 0.000 -6.552) 8.349 4.124 ( -0.423 0.000 3.526) 3.552 4.162 ( 1.938 0.000 -0.818) 2.104 4.225 ( 4.656 0.000 -0.760) 4.718 4.230 ( -3.204 0.000 -1.815) 3.682 4.295 ( -1.662 0.000 -1.737) 2.404 4.335 ( -3.160 0.000 -0.127) 3.163 4.345 ( 2.024 0.000 -2.812) 3.465 4.407 ( 0.949 0.000 2.087) 2.293 4.448 ( 2.768 0.000 0.378) 2.794 4.453 ( 1.446 0.000 -0.939) 1.724 4.485 ( 0.840 0.000 -5.564) 5.627 4.554 ( -2.162 0.000 1.327) 2.537 4.610 ( 2.370 0.000 -3.025) 3.843 4.701 ( -5.496 0.000 2.901) 6.214 4.791 ( 2.951 0.000 -5.179) 5.960 4.794 ( -3.219 0.000 -3.295) 4.607 4.848 ( 12.215 0.000 6.257) 13.725 4.955 ( -8.188 0.000 1.048) 8.255 4.996 ( 2.284 0.000 0.963) 2.479 5.005 ( -4.214 0.000 1.303) 4.411 5.109 ( 0.905 0.000 -2.070) 2.259 5.213 ( 1.440 0.000 -2.823) 3.169 5.282 ( 2.356 0.000 -4.412) 5.002 5.293 ( -4.178 0.000 -2.173) 4.710 5.308 ( 4.216 0.000 3.021) 5.187 5.421 ( 0.253 0.000 1.937) 1.954 5.437 ( -0.274 0.000 -3.230) 3.241 5.466 ( 4.031 0.000 -0.973) 4.147 5.476 ( 3.373 0.000 -1.178) 3.573 5.490 ( -0.926 0.000 -1.287) 1.585 5.548 ( 3.183 0.000 0.140) 3.186 5.634 ( -2.117 0.000 1.852) 2.813 5.722 ( -1.319 0.000 -1.633) 2.099 5.742 ( -4.410 0.000 -0.168) 4.413 5.769 ( 4.629 0.000 -3.392) 5.739 6.004 ( -4.331 0.000 -4.451) 6.210 6.024 ( 4.533 0.000 -0.391) 4.550 6.077 ( -0.711 0.000 -2.440) 2.541 6.179 ( -1.159 0.000 -1.268) 1.718 6.190 ( -1.062 0.000 1.357) 1.723 6.204 ( -2.176 0.000 0.951) 2.375 6.269 ( -1.535 0.000 2.716) 3.120 6.431 ( -1.006 0.000 1.052) 1.456 6.443 ( -1.080 0.000 3.647) 3.804 6.614 ( 0.516 0.000 0.862) 1.004 6.670 ( -2.870 0.000 -0.539) 2.920 6.750 ( 1.754 0.000 5.525) 5.797 6.771 ( 3.452 0.000 -0.702) 3.523 6.861 ( 4.261 0.000 -3.565) 5.555 6.884 ( 2.130 0.000 2.267) 3.111 6.980 ( 0.680 0.000 0.284) 0.737 6.997 ( -0.638 0.000 -0.149) 0.655 7.052 ( 2.918 0.000 4.879) 5.685 7.081 ( -0.924 0.000 -2.127) 2.319 7.150 ( -3.772 0.000 -2.931) 4.777 7.279 ( 1.115 0.000 1.511) 1.878 7.299 ( -4.913 0.000 6.910) 8.478 7.327 ( -0.662 0.000 1.203) 1.373 8.161 ( 1.793 0.000 3.142) 3.618 8.260 ( -1.765 0.000 2.902) 3.397 8.276 ( 0.334 0.000 0.572) 0.663 8.296 ( -0.351 0.000 0.097) 0.364 8.515 ( 0.047 0.000 1.533) 1.534 8.527 ( -0.480 0.000 0.964) 1.077 8.726 ( 0.599 0.000 -1.173) 1.317 8.735 ( 0.127 0.000 -0.859) 0.868 8.841 ( 4.913 0.000 -0.520) 4.940 8.848 ( 0.546 0.000 -0.734) 0.914 8.857 ( 0.655 0.000 -1.564) 1.696 8.908 ( -0.436 0.000 1.101) 1.184 8.938 ( -0.566 0.000 1.424) 1.533 9.057 ( -3.671 0.000 0.743) 3.745 9.196 ( 2.314 0.000 -1.978) 3.044 9.198 ( 3.079 0.000 -3.852) 4.932 9.264 ( 2.272 0.000 -5.636) 6.077 9.303 ( -0.654 0.000 -2.561) 2.643 9.320 ( -1.348 0.000 -2.498) 2.839 9.381 ( 2.551 0.000 -3.965) 4.715 9.463 ( -0.560 0.000 2.230) 2.299 9.483 ( -3.751 0.000 -3.760) 5.311 9.486 ( -0.738 0.000 -0.453) 0.866 9.535 ( -2.882 0.000 -2.833) 4.042 ======================= Grid point 52 (21/45) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -18.869 0.000 15.063) 24.144 1.548 ( 18.869 0.000 15.063) 24.144 1.728 ( -17.561 0.000 16.524) 24.113 1.728 ( 17.561 0.000 16.524) 24.113 2.181 ( -8.430 0.000 6.267) 10.504 2.181 ( 8.430 0.000 6.267) 10.504 2.283 ( -4.120 0.000 -1.303) 4.321 2.283 ( 4.120 0.000 -1.303) 4.321 2.325 ( -9.081 0.000 6.006) 10.887 2.325 ( 9.081 0.000 6.006) 10.887 2.429 ( -7.558 0.000 3.251) 8.228 2.429 ( 7.558 0.000 3.251) 8.228 2.820 ( -3.965 0.000 0.337) 3.979 2.820 ( 3.965 0.000 0.337) 3.979 2.827 ( -19.357 0.000 15.263) 24.650 2.827 ( 19.357 0.000 15.263) 24.650 2.992 ( -8.527 0.000 8.686) 12.171 2.992 ( 8.527 0.000 8.686) 12.171 3.081 ( -5.378 0.000 3.291) 6.306 3.081 ( 5.378 0.000 3.291) 6.306 3.124 ( -5.917 0.000 0.825) 5.974 3.124 ( 5.917 0.000 0.825) 5.974 3.304 ( -0.980 0.000 1.277) 1.610 3.304 ( 0.980 0.000 1.277) 1.610 3.459 ( -4.004 0.000 2.385) 4.660 3.459 ( 4.004 0.000 2.385) 4.660 3.616 ( -5.324 0.000 -0.474) 5.345 3.616 ( 5.324 0.000 -0.474) 5.345 3.693 ( -1.718 0.000 -0.802) 1.896 3.693 ( 1.718 0.000 -0.802) 1.896 3.720 ( -1.323 0.000 -0.836) 1.566 3.720 ( 1.323 0.000 -0.836) 1.566 3.857 ( -6.928 0.000 -1.055) 7.008 3.857 ( 6.928 0.000 -1.055) 7.008 3.996 ( -0.699 0.000 -7.220) 7.254 3.996 ( 0.699 0.000 -7.220) 7.254 4.088 ( -3.057 0.000 1.888) 3.593 4.088 ( 3.057 0.000 1.888) 3.593 4.101 ( -6.079 0.000 -0.351) 6.089 4.101 ( 6.079 0.000 -0.351) 6.089 4.209 ( -3.465 0.000 0.509) 3.502 4.209 ( 3.465 0.000 0.509) 3.502 4.327 ( -2.940 0.000 -0.509) 2.984 4.327 ( 2.940 0.000 -0.509) 2.984 4.408 ( -4.444 0.000 -1.121) 4.583 4.408 ( 4.444 0.000 -1.121) 4.583 4.453 ( -1.318 0.000 -1.092) 1.711 4.453 ( 1.318 0.000 -1.092) 1.711 4.542 ( -5.611 0.000 -2.380) 6.095 4.542 ( 5.611 0.000 -2.380) 6.095 4.635 ( -7.321 0.000 -4.327) 8.504 4.635 ( 7.321 0.000 -4.327) 8.504 4.747 ( -7.365 0.000 1.309) 7.481 4.747 ( 7.365 0.000 1.309) 7.481 4.908 ( -4.452 0.000 -3.718) 5.800 4.908 ( 4.452 0.000 -3.718) 5.800 5.049 ( -4.529 0.000 2.595) 5.220 5.049 ( 4.529 0.000 2.595) 5.220 5.156 ( -8.692 0.000 -0.453) 8.704 5.156 ( 8.692 0.000 -0.453) 8.704 5.267 ( -2.697 0.000 -4.628) 5.356 5.267 ( 2.697 0.000 -4.628) 5.356 5.378 ( -2.086 0.000 -0.666) 2.190 5.378 ( 2.086 0.000 -0.666) 2.190 5.446 ( -2.023 0.000 0.003) 2.023 5.446 ( 2.023 0.000 0.003) 2.023 5.551 ( -3.105 0.000 0.877) 3.226 5.551 ( 3.105 0.000 0.877) 3.226 5.638 ( -4.422 0.000 2.790) 5.229 5.638 ( 4.422 0.000 2.790) 5.229 5.646 ( -5.219 0.000 0.569) 5.250 5.646 ( 5.219 0.000 0.569) 5.250 5.896 ( -5.584 0.000 -6.403) 8.496 5.896 ( 5.584 0.000 -6.403) 8.496 6.089 ( -0.437 0.000 -0.398) 0.591 6.089 ( 0.437 0.000 -0.398) 0.591 6.154 ( -1.290 0.000 -1.018) 1.643 6.154 ( 1.290 0.000 -1.018) 1.643 6.208 ( -2.681 0.000 2.407) 3.603 6.208 ( 2.681 0.000 2.407) 3.603 6.426 ( -0.480 0.000 2.847) 2.888 6.426 ( 0.480 0.000 2.847) 2.888 6.629 ( -1.068 0.000 0.118) 1.075 6.629 ( 1.068 0.000 0.118) 1.075 6.782 ( -1.183 0.000 5.096) 5.231 6.782 ( 1.183 0.000 5.096) 5.231 6.940 ( -2.898 0.000 -2.415) 3.772 6.940 ( 2.898 0.000 -2.415) 3.772 6.983 ( -5.162 0.000 -4.740) 7.008 6.983 ( 5.162 0.000 -4.740) 7.008 7.055 ( -4.323 0.000 -0.953) 4.427 7.055 ( 4.323 0.000 -0.953) 4.427 7.179 ( -5.692 0.000 7.797) 9.654 7.179 ( 5.692 0.000 7.797) 9.654 7.306 ( -1.198 0.000 1.276) 1.750 7.306 ( 1.198 0.000 1.276) 1.750 8.211 ( -2.548 0.000 3.057) 3.980 8.211 ( 2.548 0.000 3.057) 3.980 8.286 ( -0.506 0.000 0.367) 0.625 8.286 ( 0.506 0.000 0.367) 0.625 8.518 ( -0.271 0.000 1.167) 1.198 8.518 ( 0.271 0.000 1.167) 1.198 8.735 ( -0.186 0.000 -1.031) 1.048 8.735 ( 0.186 0.000 -1.031) 1.048 8.861 ( -0.477 0.000 -0.833) 0.960 8.861 ( 0.477 0.000 -0.833) 0.960 8.916 ( -1.170 0.000 0.497) 1.271 8.916 ( 1.170 0.000 0.497) 1.271 8.957 ( -5.265 0.000 -0.164) 5.267 8.957 ( 5.265 0.000 -0.164) 5.267 9.254 ( -2.077 0.000 -4.352) 4.822 9.254 ( 2.077 0.000 -4.352) 4.822 9.264 ( -3.431 0.000 -1.100) 3.603 9.264 ( 3.431 0.000 -1.100) 3.603 9.370 ( -4.784 0.000 -3.975) 6.220 9.370 ( 4.784 0.000 -3.975) 6.220 9.462 ( -3.318 0.000 -3.119) 4.553 9.462 ( 3.318 0.000 -3.119) 4.553 9.466 ( -0.822 0.000 0.213) 0.849 9.466 ( 0.822 0.000 0.213) 0.849 ======================= Grid point 55 (22/45) ======================= q-point: ( 0.00 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 0.000 15.324 18.285) 23.858 1.329 ( 0.000 10.688 23.150) 25.498 1.888 ( 0.000 -3.193 3.013) 4.390 1.914 ( 0.000 -6.257 -7.408) 9.697 2.162 ( 0.000 10.256 27.503) 29.353 2.275 ( 0.000 3.727 11.814) 12.388 2.323 ( 0.000 -0.625 10.810) 10.828 2.339 ( 0.000 -2.344 3.770) 4.439 2.375 ( 0.000 2.393 4.573) 5.161 2.443 ( 0.000 2.867 -0.307) 2.883 2.471 ( 0.000 8.764 11.050) 14.104 2.491 ( 0.000 2.783 10.817) 11.169 2.539 ( 0.000 -7.505 -0.564) 7.526 2.662 ( 0.000 -1.655 1.293) 2.100 2.737 ( 0.000 1.186 8.100) 8.186 2.783 ( 0.000 -0.470 0.242) 0.529 2.871 ( 0.000 -5.519 5.783) 7.994 2.961 ( 0.000 -10.198 6.667) 12.184 2.993 ( 0.000 -5.541 4.200) 6.953 3.113 ( 0.000 5.287 -3.966) 6.609 3.252 ( 0.000 -6.520 -3.953) 7.625 3.261 ( 0.000 -9.089 4.105) 9.973 3.312 ( 0.000 -2.061 5.929) 6.277 3.404 ( 0.000 -2.967 -3.074) 4.272 3.475 ( 0.000 3.779 0.597) 3.826 3.486 ( 0.000 1.827 0.698) 1.955 3.548 ( 0.000 1.939 2.437) 3.115 3.584 ( 0.000 -1.884 3.926) 4.355 3.711 ( 0.000 0.376 -1.918) 1.955 3.787 ( 0.000 3.889 -3.291) 5.095 3.796 ( 0.000 -6.226 -6.754) 9.186 3.809 ( 0.000 -1.099 2.781) 2.990 3.859 ( 0.000 -1.122 -4.521) 4.658 3.860 ( 0.000 2.129 -4.697) 5.157 3.930 ( 0.000 -7.548 -2.442) 7.933 3.933 ( 0.000 6.754 -1.983) 7.040 4.051 ( 0.000 5.072 -1.885) 5.411 4.080 ( 0.000 0.334 0.445) 0.557 4.087 ( 0.000 1.129 4.354) 4.498 4.194 ( 0.000 -6.064 -0.988) 6.144 4.233 ( 0.000 2.108 -3.060) 3.716 4.263 ( 0.000 2.183 0.084) 2.185 4.293 ( 0.000 -1.692 -1.229) 2.091 4.384 ( 0.000 5.092 0.640) 5.132 4.400 ( 0.000 -4.886 -0.707) 4.937 4.407 ( 0.000 -0.955 -0.376) 1.026 4.438 ( 0.000 7.307 -3.218) 7.984 4.500 ( 0.000 2.684 1.067) 2.888 4.534 ( 0.000 6.637 4.870) 8.232 4.587 ( 0.000 4.436 1.230) 4.604 4.616 ( 0.000 2.909 -6.077) 6.738 4.644 ( 0.000 4.295 -0.291) 4.305 4.796 ( 0.000 -2.046 2.766) 3.440 4.799 ( 0.000 3.519 -2.752) 4.467 4.873 ( 0.000 3.189 6.371) 7.124 4.924 ( 0.000 -6.420 1.283) 6.547 5.007 ( 0.000 -1.631 -6.893) 7.084 5.042 ( 0.000 -2.552 -2.678) 3.700 5.128 ( 0.000 -1.295 3.336) 3.578 5.164 ( 0.000 0.994 2.533) 2.721 5.185 ( 0.000 -0.664 0.566) 0.872 5.262 ( 0.000 -3.116 -2.333) 3.893 5.296 ( 0.000 -2.265 1.656) 2.806 5.384 ( 0.000 0.935 1.907) 2.124 5.392 ( 0.000 -0.937 -3.356) 3.484 5.427 ( 0.000 -4.558 -2.052) 4.999 5.461 ( 0.000 0.933 -3.360) 3.487 5.481 ( 0.000 -0.305 -4.059) 4.071 5.538 ( 0.000 -0.543 -0.062) 0.546 5.653 ( 0.000 -3.093 -2.953) 4.277 5.691 ( 0.000 3.073 2.733) 4.113 5.771 ( 0.000 1.484 -4.301) 4.549 5.802 ( 0.000 0.500 -0.734) 0.888 5.955 ( 0.000 -0.365 0.460) 0.587 6.067 ( 0.000 0.390 -2.757) 2.784 6.089 ( 0.000 -0.741 -3.394) 3.474 6.171 ( 0.000 -0.365 -0.508) 0.626 6.227 ( 0.000 -0.256 2.597) 2.610 6.258 ( 0.000 1.288 1.252) 1.796 6.281 ( 0.000 1.523 1.219) 1.951 6.457 ( 0.000 -0.232 2.574) 2.584 6.458 ( 0.000 0.556 0.240) 0.606 6.607 ( 0.000 -0.794 1.804) 1.971 6.674 ( 0.000 -3.322 6.997) 7.746 6.705 ( 0.000 2.172 -2.699) 3.465 6.731 ( 0.000 -0.769 -2.220) 2.349 6.785 ( 0.000 -0.047 -0.651) 0.652 6.868 ( 0.000 -1.050 6.971) 7.050 6.966 ( 0.000 -2.000 -3.254) 3.819 6.979 ( 0.000 -0.592 8.783) 8.803 7.018 ( 0.000 2.486 1.503) 2.905 7.145 ( 0.000 1.217 -3.969) 4.152 7.194 ( 0.000 -8.676 6.706) 10.965 7.205 ( 0.000 2.095 -2.168) 3.015 7.248 ( 0.000 -1.651 1.532) 2.252 7.370 ( 0.000 -0.430 1.686) 1.740 8.170 ( 0.000 2.735 2.995) 4.056 8.289 ( 0.000 1.179 0.904) 1.485 8.324 ( 0.000 3.826 2.228) 4.427 8.339 ( 0.000 3.365 -0.216) 3.372 8.518 ( 0.000 0.344 1.796) 1.828 8.533 ( 0.000 0.122 1.103) 1.109 8.732 ( 0.000 -0.317 -0.653) 0.726 8.754 ( 0.000 -0.460 -0.408) 0.615 8.797 ( 0.000 -2.754 -0.940) 2.910 8.842 ( 0.000 -0.740 -1.439) 1.618 8.847 ( 0.000 4.197 -1.271) 4.385 8.898 ( 0.000 -0.612 -0.300) 0.681 8.915 ( 0.000 -1.277 2.323) 2.651 9.058 ( 0.000 -5.122 -5.116) 7.240 9.123 ( 0.000 0.723 0.167) 0.742 9.135 ( 0.000 -3.462 -3.229) 4.734 9.296 ( 0.000 3.498 -5.396) 6.431 9.325 ( 0.000 -0.801 -1.541) 1.737 9.343 ( 0.000 0.823 -3.560) 3.654 9.347 ( 0.000 1.799 -1.669) 2.454 9.497 ( 0.000 1.268 0.657) 1.428 9.516 ( 0.000 1.523 -3.563) 3.875 9.551 ( 0.000 1.826 -4.740) 5.080 9.587 ( 0.000 1.418 -3.000) 3.318 ======================= Grid point 56 (23/45) ======================= q-point: ( 0.25 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 12.311 12.308 16.082) 23.700 1.450 ( 10.331 7.364 19.603) 23.350 1.875 ( 0.125 -5.621 1.109) 5.731 1.974 ( -3.167 -2.205 2.259) 4.472 2.085 ( -9.438 6.180 8.401) 14.066 2.177 ( -5.287 -2.670 9.073) 10.835 2.258 ( -1.056 1.992 9.639) 9.899 2.274 ( -0.376 0.944 10.028) 10.079 2.340 ( 0.397 0.743 2.907) 3.027 2.390 ( -2.623 -0.328 3.968) 4.768 2.506 ( -1.394 4.202 8.672) 9.737 2.562 ( 0.822 -0.355 4.986) 5.066 2.611 ( 4.804 6.153 10.138) 12.795 2.704 ( 6.363 -1.473 6.954) 9.541 2.772 ( 3.340 3.898 1.001) 5.230 2.811 ( 3.904 -2.250 9.046) 10.106 2.853 ( 0.518 -7.185 4.284) 8.382 3.018 ( 1.900 -9.549 5.201) 11.038 3.035 ( 2.144 -6.106 1.316) 6.604 3.088 ( 0.366 1.641 0.727) 1.832 3.181 ( -4.357 -4.626 -1.343) 6.495 3.245 ( -4.050 1.773 6.252) 7.657 3.316 ( -4.616 0.841 -2.565) 5.348 3.352 ( -1.730 -4.050 1.522) 4.660 3.408 ( -1.714 -1.062 0.297) 2.039 3.491 ( 4.807 -2.329 2.053) 5.722 3.583 ( -1.784 0.259 2.847) 3.370 3.615 ( -6.467 1.880 6.227) 9.172 3.682 ( -0.682 1.655 -4.615) 4.950 3.725 ( -4.034 -6.322 -0.798) 7.542 3.763 ( -5.901 3.895 1.317) 7.193 3.848 ( 2.368 -1.372 -2.607) 3.779 3.868 ( 1.162 3.968 -0.180) 4.139 3.893 ( 1.733 4.209 -3.547) 5.771 3.915 ( 1.910 -1.960 -2.706) 3.849 3.968 ( -0.466 2.489 -0.645) 2.613 4.008 ( 2.603 -6.713 0.470) 7.215 4.064 ( 0.694 1.549 -1.023) 1.981 4.083 ( -1.027 2.263 -0.924) 2.651 4.171 ( 3.865 -2.202 -3.602) 5.724 4.212 ( -0.224 -1.112 0.770) 1.371 4.228 ( -2.142 1.585 -1.418) 3.019 4.323 ( -1.087 0.205 -4.218) 4.361 4.349 ( -0.189 -0.350 -1.575) 1.624 4.365 ( 2.455 3.555 -1.529) 4.583 4.429 ( -0.972 4.163 0.785) 4.346 4.471 ( 1.035 0.932 -4.865) 5.061 4.517 ( -2.573 4.194 -2.212) 5.395 4.560 ( -1.705 5.515 1.342) 5.927 4.599 ( 2.562 0.903 -2.303) 3.562 4.673 ( 0.510 4.469 -1.395) 4.709 4.712 ( 3.021 -0.484 1.077) 3.243 4.741 ( -0.199 -0.699 -0.257) 0.771 4.787 ( -6.509 -0.724 -2.975) 7.193 4.868 ( -1.215 -3.243 3.972) 5.269 4.905 ( 9.521 2.487 3.845) 10.565 4.957 ( -6.035 0.354 2.040) 6.380 5.019 ( -1.556 -3.435 -2.556) 4.556 5.080 ( 0.473 -1.604 -5.343) 5.599 5.202 ( 1.760 0.221 1.000) 2.036 5.267 ( 3.506 -1.803 0.436) 3.966 5.274 ( -0.964 -1.973 0.756) 2.322 5.321 ( -0.273 -0.855 -1.082) 1.405 5.370 ( -3.503 -3.784 -2.522) 5.740 5.398 ( 1.409 -1.005 -3.217) 3.653 5.432 ( 0.364 -1.063 -2.172) 2.446 5.467 ( 5.446 -0.814 0.613) 5.541 5.551 ( 4.442 0.201 -1.402) 4.662 5.569 ( 2.026 1.339 0.965) 2.613 5.643 ( -0.992 1.806 -0.754) 2.194 5.692 ( -0.317 -0.888 1.442) 1.723 5.754 ( -3.163 0.720 2.832) 4.306 5.793 ( 2.328 1.587 -5.739) 6.393 5.975 ( -2.628 -1.713 -3.043) 4.371 6.039 ( 1.852 0.048 -2.111) 2.809 6.087 ( -0.895 1.390 -1.665) 2.346 6.151 ( -1.357 -1.764 0.593) 2.303 6.176 ( -1.693 0.287 1.617) 2.359 6.265 ( -0.647 3.151 0.490) 3.254 6.288 ( -0.737 1.085 1.509) 1.999 6.423 ( -1.126 -0.134 1.485) 1.869 6.450 ( -1.228 0.448 2.907) 3.187 6.614 ( 0.710 -0.755 2.359) 2.577 6.675 ( -2.453 0.214 -0.317) 2.483 6.693 ( 1.660 -3.313 5.741) 6.833 6.769 ( 1.182 -0.369 0.284) 1.270 6.842 ( 4.284 -2.074 -2.520) 5.385 6.879 ( 1.794 0.489 1.685) 2.510 6.969 ( -0.232 -1.508 -2.698) 3.100 7.006 ( 2.722 0.297 5.777) 6.393 7.053 ( 2.977 0.792 3.904) 4.973 7.098 ( -3.914 0.207 -3.071) 4.980 7.165 ( -2.858 0.928 -0.710) 3.088 7.182 ( -1.420 -5.541 5.294) 7.795 7.268 ( 1.407 -0.920 1.048) 1.981 7.346 ( -1.872 -0.048 1.454) 2.371 8.192 ( 1.902 2.805 2.909) 4.467 8.297 ( -0.785 2.329 2.095) 3.229 8.306 ( -0.270 2.963 0.838) 3.091 8.335 ( -0.364 3.268 -0.108) 3.290 8.521 ( 0.193 0.504 1.602) 1.691 8.531 ( -0.216 0.375 1.129) 1.210 8.745 ( 1.000 -0.237 -0.518) 1.151 8.768 ( 0.804 0.982 -0.824) 1.513 8.811 ( 0.336 -3.268 0.001) 3.285 8.829 ( -0.112 -2.505 0.160) 2.513 8.854 ( 0.617 2.436 -2.423) 3.491 8.894 ( -0.115 -1.027 0.553) 1.172 8.926 ( 0.968 0.072 -0.472) 1.080 9.051 ( -1.618 -1.662 -2.129) 3.149 9.125 ( 1.371 -4.030 -1.605) 4.550 9.177 ( 2.648 -1.120 -2.126) 3.576 9.248 ( -2.463 -0.560 -5.269) 5.844 9.323 ( -1.580 0.242 -2.722) 3.156 9.354 ( 1.343 2.199 -2.739) 3.761 9.376 ( 2.040 -0.233 -1.606) 2.606 9.471 ( -1.938 1.285 -0.144) 2.330 9.481 ( -3.245 0.557 -5.440) 6.359 9.534 ( 0.267 2.598 -1.101) 2.834 9.587 ( -0.963 3.513 -3.683) 5.180 ======================= Grid point 57 (24/45) ======================= q-point: (-0.50 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -10.067 4.039 11.666) 15.930 1.618 ( 10.067 4.039 11.666) 15.930 1.777 ( -6.957 6.494 12.597) 15.788 1.777 ( 6.957 6.494 12.597) 15.788 2.056 ( -4.445 -6.405 6.171) 9.943 2.056 ( 4.445 -6.405 6.171) 9.943 2.287 ( -3.603 -1.700 1.567) 4.281 2.287 ( 3.603 -1.700 1.567) 4.281 2.366 ( -4.147 3.311 4.292) 6.825 2.366 ( 4.147 3.311 4.292) 6.825 2.473 ( -4.812 1.178 3.323) 5.965 2.473 ( 4.812 1.178 3.323) 5.965 2.778 ( -3.733 -5.018 8.993) 10.954 2.778 ( 3.733 -5.018 8.993) 10.954 2.872 ( -1.499 -5.909 0.050) 6.096 2.872 ( 1.499 -5.909 0.050) 6.096 2.974 ( -11.062 8.891 11.150) 18.048 2.974 ( 11.062 8.891 11.150) 18.048 3.054 ( -6.008 -4.545 3.897) 8.482 3.054 ( 6.008 -4.545 3.897) 8.482 3.183 ( -7.194 4.446 8.263) 11.823 3.183 ( 7.194 4.446 8.263) 11.823 3.212 ( -3.810 0.586 3.184) 5.000 3.212 ( 3.810 0.586 3.184) 5.000 3.407 ( -4.258 -4.687 1.518) 6.512 3.407 ( 4.258 -4.687 1.518) 6.512 3.604 ( -3.657 -1.241 1.550) 4.161 3.604 ( 3.657 -1.241 1.550) 4.161 3.652 ( -2.786 0.463 -3.197) 4.266 3.652 ( 2.786 0.463 -3.197) 4.266 3.805 ( -4.803 -5.582 -3.788) 8.281 3.805 ( 4.803 -5.582 -3.788) 8.281 3.897 ( -0.688 7.099 -3.937) 8.147 3.897 ( 0.688 7.099 -3.937) 8.147 3.973 ( -2.071 -4.127 1.048) 4.734 3.973 ( 2.071 -4.127 1.048) 4.734 4.041 ( -2.380 0.213 0.460) 2.434 4.041 ( 2.380 0.213 0.460) 2.434 4.121 ( -3.915 3.234 -2.709) 5.756 4.121 ( 3.915 3.234 -2.709) 5.756 4.265 ( -3.878 2.965 -0.182) 4.885 4.265 ( 3.878 2.965 -0.182) 4.885 4.344 ( -3.576 -3.965 -2.758) 6.010 4.344 ( 3.576 -3.965 -2.758) 6.010 4.366 ( -3.831 1.989 -0.260) 4.324 4.366 ( 3.831 1.989 -0.260) 4.324 4.494 ( -2.551 4.267 -1.514) 5.197 4.494 ( 2.551 4.267 -1.514) 5.197 4.576 ( -6.781 1.084 -2.841) 7.432 4.576 ( 6.781 1.084 -2.841) 7.432 4.675 ( -3.065 1.314 -3.923) 5.149 4.675 ( 3.065 1.314 -3.923) 5.149 4.778 ( -2.636 0.746 0.423) 2.772 4.778 ( 2.636 0.746 0.423) 2.772 4.841 ( -0.561 -0.591 1.962) 2.124 4.841 ( 0.561 -0.591 1.962) 2.124 5.022 ( -3.328 -3.358 -3.057) 5.630 5.022 ( 3.328 -3.358 -3.057) 5.630 5.162 ( -7.524 0.939 1.460) 7.721 5.162 ( 7.524 0.939 1.460) 7.721 5.276 ( -3.182 -0.335 -3.064) 4.430 5.276 ( 3.182 -0.335 -3.064) 4.430 5.306 ( -0.497 -3.755 -0.434) 3.812 5.306 ( 0.497 -3.755 -0.434) 3.812 5.435 ( -0.865 -1.518 -1.447) 2.268 5.435 ( 0.865 -1.518 -1.447) 2.268 5.582 ( -2.454 -0.016 -0.198) 2.462 5.582 ( 2.454 -0.016 -0.198) 2.462 5.630 ( -2.445 1.548 1.701) 3.357 5.630 ( 2.445 1.548 1.701) 3.357 5.677 ( -2.496 1.937 2.592) 4.087 5.677 ( 2.496 1.937 2.592) 4.087 5.879 ( -4.733 -1.343 -6.191) 7.907 5.879 ( 4.733 -1.343 -6.191) 7.907 6.085 ( -1.429 -0.150 -0.982) 1.741 6.085 ( 1.429 -0.150 -0.982) 1.741 6.137 ( -1.123 -0.676 1.735) 2.174 6.137 ( 1.123 -0.676 1.735) 2.174 6.260 ( -0.697 3.343 0.717) 3.489 6.260 ( 0.697 3.343 0.717) 3.489 6.423 ( -0.899 -0.078 2.657) 2.806 6.423 ( 0.899 -0.078 2.657) 2.806 6.635 ( -1.273 0.263 0.983) 1.629 6.635 ( 1.273 0.263 0.983) 1.629 6.739 ( -2.360 -3.035 4.853) 6.191 6.739 ( 2.360 -3.035 4.853) 6.191 6.918 ( -0.620 -1.305 -2.549) 2.930 6.918 ( 0.620 -1.305 -2.549) 2.930 6.991 ( -4.532 -0.362 -2.544) 5.210 6.991 ( 4.532 -0.362 -2.544) 5.210 7.087 ( -4.025 1.878 1.312) 4.631 7.087 ( 4.025 1.878 1.312) 4.631 7.131 ( -3.226 -2.565 5.091) 6.550 7.131 ( 3.226 -2.565 5.091) 6.550 7.303 ( -1.839 -0.374 0.981) 2.118 7.303 ( 1.839 -0.374 0.981) 2.118 8.245 ( -2.745 3.029 2.717) 4.908 8.245 ( 2.745 3.029 2.717) 4.908 8.323 ( -0.766 2.813 0.091) 2.917 8.323 ( 0.766 2.813 0.091) 2.917 8.526 ( -0.228 0.644 1.300) 1.468 8.526 ( 0.228 0.644 1.300) 1.468 8.767 ( -0.858 1.248 -0.633) 1.641 8.767 ( 0.858 1.248 -0.633) 1.641 8.819 ( -0.843 -3.360 0.003) 3.464 8.819 ( 0.843 -3.360 0.003) 3.464 8.880 ( -1.209 -1.210 -0.658) 1.833 8.880 ( 1.209 -1.210 -0.658) 1.833 8.983 ( -3.861 1.345 -1.098) 4.233 8.983 ( 3.861 1.345 -1.098) 4.233 9.174 ( -2.466 -4.358 -1.849) 5.338 9.174 ( 2.466 -4.358 -1.849) 5.338 9.266 ( -3.208 -0.897 -4.082) 5.269 9.266 ( 3.208 -0.897 -4.082) 5.269 9.394 ( -1.695 -0.210 -1.379) 2.195 9.394 ( 1.695 -0.210 -1.379) 2.195 9.436 ( -0.799 1.898 -3.375) 3.953 9.436 ( 0.799 1.898 -3.375) 3.953 9.554 ( -1.538 4.045 -2.348) 4.924 9.554 ( 1.538 4.045 -2.348) 4.924 ======================= Grid point 60 (25/45) ======================= q-point: ( 0.00 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 0.000 16.665 11.052) 19.997 1.568 ( 0.000 8.533 9.460) 12.740 1.769 ( 0.000 -4.393 -2.989) 5.313 1.922 ( 0.000 8.606 2.096) 8.857 1.994 ( 0.000 -16.087 7.073) 17.574 2.207 ( 0.000 -13.338 4.394) 14.043 2.304 ( 0.000 -3.199 0.419) 3.226 2.307 ( 0.000 -2.015 4.339) 4.784 2.428 ( 0.000 8.262 7.870) 11.410 2.500 ( 0.000 3.859 11.132) 11.782 2.573 ( 0.000 7.502 1.855) 7.727 2.644 ( 0.000 4.506 11.016) 11.902 2.645 ( 0.000 -1.191 13.422) 13.474 2.694 ( 0.000 -3.102 8.150) 8.720 2.756 ( 0.000 -5.518 3.359) 6.460 2.789 ( 0.000 4.595 6.424) 7.899 2.810 ( 0.000 -6.436 8.057) 10.311 2.869 ( 0.000 6.971 0.501) 6.989 2.932 ( 0.000 17.576 16.241) 23.931 3.025 ( 0.000 -11.623 6.321) 13.231 3.095 ( 0.000 -6.981 0.703) 7.016 3.195 ( 0.000 0.956 -2.863) 3.018 3.277 ( 0.000 2.804 1.164) 3.036 3.410 ( 0.000 0.769 -1.320) 1.527 3.446 ( 0.000 -6.610 6.878) 9.540 3.501 ( 0.000 -6.300 -3.521) 7.217 3.545 ( 0.000 -0.093 0.466) 0.475 3.579 ( 0.000 -5.569 1.038) 5.665 3.616 ( 0.000 3.559 3.027) 4.672 3.735 ( 0.000 -3.909 -1.982) 4.382 3.754 ( 0.000 -2.962 -0.580) 3.018 3.756 ( 0.000 -0.387 -0.673) 0.777 3.844 ( 0.000 2.494 -5.580) 6.112 3.884 ( 0.000 -0.551 -4.718) 4.750 3.906 ( 0.000 1.353 -4.674) 4.866 3.966 ( 0.000 -6.457 1.774) 6.696 4.080 ( 0.000 -0.669 -2.418) 2.509 4.090 ( 0.000 0.227 -2.489) 2.499 4.109 ( 0.000 2.404 -3.172) 3.980 4.126 ( 0.000 -0.142 -1.832) 1.837 4.297 ( 0.000 1.216 3.732) 3.926 4.298 ( 0.000 -0.709 0.414) 0.821 4.320 ( 0.000 2.962 -0.763) 3.058 4.353 ( 0.000 -0.468 -5.114) 5.135 4.402 ( 0.000 7.340 -3.255) 8.030 4.515 ( 0.000 -1.528 -3.353) 3.685 4.524 ( 0.000 3.628 -4.482) 5.767 4.574 ( 0.000 4.013 -1.338) 4.231 4.598 ( 0.000 -0.235 -0.775) 0.809 4.684 ( 0.000 1.207 1.613) 2.015 4.703 ( 0.000 6.305 -2.075) 6.637 4.772 ( 0.000 -1.283 1.241) 1.785 4.775 ( 0.000 4.627 -1.108) 4.758 4.802 ( 0.000 -1.384 0.257) 1.408 4.865 ( 0.000 2.911 0.642) 2.981 4.933 ( 0.000 -3.491 2.847) 4.505 4.978 ( 0.000 0.827 -3.121) 3.229 4.983 ( 0.000 -1.071 -3.014) 3.199 5.082 ( 0.000 -0.107 2.599) 2.601 5.161 ( 0.000 -3.410 1.833) 3.872 5.194 ( 0.000 0.631 5.584) 5.619 5.198 ( 0.000 -0.526 4.397) 4.428 5.239 ( 0.000 -2.218 -0.341) 2.244 5.266 ( 0.000 -5.906 -4.731) 7.567 5.406 ( 0.000 1.236 0.120) 1.242 5.415 ( 0.000 0.777 0.398) 0.873 5.455 ( 0.000 -1.555 -3.611) 3.931 5.462 ( 0.000 -1.368 -3.558) 3.812 5.531 ( 0.000 1.152 -0.637) 1.316 5.582 ( 0.000 -3.120 -2.323) 3.890 5.767 ( 0.000 2.952 2.711) 4.008 5.795 ( 0.000 0.339 2.106) 2.133 5.857 ( 0.000 3.853 -4.238) 5.728 5.930 ( 0.000 -2.282 -1.187) 2.572 6.065 ( 0.000 -0.284 -2.413) 2.429 6.070 ( 0.000 -0.772 -2.811) 2.915 6.184 ( 0.000 1.359 -0.191) 1.372 6.215 ( 0.000 -1.084 2.395) 2.629 6.285 ( 0.000 1.066 1.781) 2.075 6.295 ( 0.000 -0.036 1.583) 1.583 6.450 ( 0.000 -0.937 1.331) 1.627 6.451 ( 0.000 -0.665 1.996) 2.104 6.613 ( 0.000 2.344 2.930) 3.752 6.658 ( 0.000 1.371 6.074) 6.226 6.694 ( 0.000 -2.341 -0.018) 2.342 6.724 ( 0.000 -1.797 1.212) 2.167 6.789 ( 0.000 1.565 -0.617) 1.682 6.831 ( 0.000 -2.007 2.249) 3.014 6.949 ( 0.000 1.118 1.221) 1.656 7.005 ( 0.000 1.995 4.858) 5.252 7.030 ( 0.000 -5.244 4.997) 7.244 7.055 ( 0.000 -0.352 1.357) 1.402 7.145 ( 0.000 0.883 -0.876) 1.244 7.196 ( 0.000 -2.870 1.097) 3.073 7.283 ( 0.000 3.760 -1.650) 4.106 7.345 ( 0.000 -1.910 -0.411) 1.954 8.244 ( 0.000 3.540 2.315) 4.230 8.298 ( 0.000 -0.967 1.529) 1.809 8.420 ( 0.000 3.837 0.900) 3.942 8.423 ( 0.000 3.392 -0.312) 3.407 8.528 ( 0.000 0.454 1.713) 1.772 8.535 ( 0.000 -0.101 1.401) 1.404 8.683 ( 0.000 -2.242 0.338) 2.267 8.703 ( 0.000 -4.162 0.654) 4.213 8.774 ( 0.000 1.546 -0.819) 1.749 8.845 ( 0.000 -4.076 -0.414) 4.097 8.852 ( 0.000 1.746 -1.424) 2.253 8.877 ( 0.000 -0.890 -0.575) 1.060 8.917 ( 0.000 1.793 0.644) 1.905 8.988 ( 0.000 -3.410 -2.526) 4.244 9.084 ( 0.000 0.618 -4.850) 4.889 9.116 ( 0.000 -1.325 -2.936) 3.222 9.329 ( 0.000 1.010 0.005) 1.010 9.344 ( 0.000 0.436 -3.079) 3.110 9.363 ( 0.000 0.784 -3.351) 3.442 9.369 ( 0.000 0.251 -1.498) 1.518 9.523 ( 0.000 1.237 -2.576) 2.858 9.538 ( 0.000 0.164 -4.007) 4.010 9.591 ( 0.000 1.629 -5.371) 5.613 9.610 ( 0.000 0.154 -5.705) 5.708 ======================= Grid point 61 (26/45) ======================= q-point: ( 0.25 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 2.588 5.026 6.209) 8.397 1.640 ( 4.834 10.133 7.241) 13.360 1.819 ( 4.460 1.013 1.293) 4.753 1.973 ( 2.505 7.155 5.811) 9.551 2.024 ( 2.407 -11.973 4.882) 13.153 2.147 ( -4.768 -1.471 6.411) 8.124 2.253 ( -1.318 -5.653 1.095) 5.907 2.306 ( -3.680 2.259 5.160) 6.728 2.352 ( -7.522 0.967 6.686) 10.110 2.443 ( -1.045 2.919 1.380) 3.393 2.504 ( 0.180 3.692 8.099) 8.903 2.562 ( -5.171 0.054 10.660) 11.848 2.634 ( -4.823 1.565 12.617) 13.598 2.666 ( -3.220 -6.282 5.991) 9.259 2.695 ( -2.211 -8.813 7.236) 11.616 2.824 ( 0.153 -6.518 12.156) 13.794 2.871 ( 2.926 3.917 1.713) 5.181 2.950 ( 8.248 1.308 6.398) 10.520 3.003 ( 4.164 -2.460 0.898) 4.919 3.074 ( 8.092 14.951 11.025) 20.262 3.176 ( -0.252 -0.930 1.853) 2.088 3.198 ( 3.100 1.194 3.130) 4.564 3.320 ( 1.145 2.470 -0.510) 2.770 3.392 ( -1.847 -0.265 1.470) 2.375 3.442 ( -3.113 3.900 -0.293) 4.999 3.469 ( 0.255 -5.927 1.373) 6.089 3.480 ( 2.534 -3.311 4.767) 6.333 3.584 ( -0.092 -0.756 -2.028) 2.166 3.695 ( 0.982 0.004 -2.104) 2.322 3.723 ( -1.064 1.360 -4.400) 4.726 3.746 ( 1.073 -8.169 3.113) 8.807 3.796 ( -2.002 -3.615 -0.623) 4.179 3.814 ( 1.824 -2.875 -1.794) 3.848 3.840 ( -3.079 -2.981 0.454) 4.310 3.875 ( -8.510 -0.023 7.866) 11.589 3.975 ( -0.306 2.568 -2.796) 3.808 4.076 ( 4.703 0.730 -3.559) 5.943 4.099 ( 0.209 3.007 -2.775) 4.097 4.129 ( -2.428 -0.015 -2.151) 3.244 4.167 ( 2.579 0.121 -4.666) 5.332 4.196 ( 3.959 0.793 -1.808) 4.424 4.249 ( -1.329 -0.884 0.145) 1.603 4.354 ( -1.332 4.313 -4.189) 6.158 4.362 ( -1.882 2.425 -1.825) 3.571 4.436 ( 0.486 -1.156 -0.519) 1.357 4.464 ( -2.495 -1.551 -4.336) 5.237 4.497 ( -1.933 2.831 -4.579) 5.720 4.556 ( 1.095 3.362 -1.303) 3.768 4.616 ( -1.618 0.270 -3.519) 3.882 4.665 ( -5.303 -5.227 3.627) 8.282 4.708 ( -3.400 5.104 2.569) 6.650 4.741 ( -1.041 0.806 -1.996) 2.391 4.753 ( 0.556 3.304 -4.193) 5.368 4.801 ( 2.643 4.624 -2.623) 5.937 4.876 ( 0.474 -5.251 -1.872) 5.595 4.900 ( 1.777 -2.002 -1.007) 2.860 4.935 ( -1.136 2.884 0.279) 3.112 4.994 ( -2.002 0.613 3.461) 4.045 5.101 ( 4.201 3.641 0.391) 5.573 5.164 ( -2.832 -4.961 0.289) 5.720 5.204 ( -0.450 -3.268 0.963) 3.436 5.244 ( 1.582 0.408 2.031) 2.607 5.274 ( 2.070 -1.070 2.223) 3.220 5.301 ( 3.134 -2.640 -2.783) 4.954 5.392 ( 0.609 -0.930 -2.330) 2.582 5.406 ( -2.014 -0.466 -4.633) 5.073 5.463 ( 3.071 0.267 0.578) 3.136 5.544 ( 3.950 -0.124 -1.212) 4.134 5.571 ( 4.398 -0.281 0.625) 4.451 5.633 ( 3.200 -1.222 -0.631) 3.483 5.745 ( -1.984 2.890 2.172) 4.124 5.771 ( -2.261 0.426 3.579) 4.254 5.819 ( -0.887 0.577 -5.656) 5.754 5.943 ( -2.479 -0.935 -4.412) 5.146 6.038 ( 1.870 0.098 -1.917) 2.680 6.114 ( 0.024 0.434 -1.384) 1.450 6.127 ( -2.159 -0.052 1.891) 2.871 6.189 ( -2.210 0.551 2.891) 3.680 6.296 ( 0.195 -0.198 0.993) 1.031 6.307 ( 0.313 0.524 1.160) 1.310 6.437 ( -0.447 1.006 1.731) 2.051 6.453 ( -0.039 -0.384 1.435) 1.486 6.607 ( -0.072 1.668 4.385) 4.692 6.653 ( 0.405 -0.448 3.103) 3.162 6.671 ( -1.443 -0.614 4.010) 4.306 6.708 ( -0.843 -4.468 1.471) 4.779 6.846 ( 3.808 2.166 -1.944) 4.793 6.901 ( 3.169 0.523 2.502) 4.071 6.938 ( -0.105 -0.556 -1.319) 1.435 7.005 ( -0.742 -2.794 5.596) 6.298 7.020 ( -0.061 -0.669 3.890) 3.948 7.068 ( 0.338 -2.243 2.534) 3.401 7.130 ( -0.359 2.102 -0.542) 2.200 7.200 ( 0.010 -0.927 -0.954) 1.330 7.275 ( -0.473 2.242 -0.328) 2.315 7.329 ( -1.479 -1.521 -0.233) 2.135 8.267 ( 2.002 3.557 2.191) 4.633 8.318 ( 1.566 -0.620 1.468) 2.234 8.394 ( -2.069 3.677 0.664) 4.271 8.410 ( -1.201 2.588 -0.187) 2.859 8.533 ( 0.409 0.539 1.584) 1.722 8.539 ( 0.242 0.230 1.518) 1.554 8.691 ( 0.948 -2.901 0.593) 3.109 8.729 ( 1.739 -2.853 0.731) 3.421 8.763 ( -1.077 -0.701 0.281) 1.315 8.794 ( -2.232 -1.895 -0.181) 2.934 8.889 ( 1.245 0.455 -1.400) 1.928 8.901 ( 1.146 3.131 -0.871) 3.446 8.939 ( 2.611 0.247 -1.655) 3.101 9.000 ( 1.357 -3.742 -2.423) 4.659 9.044 ( -1.770 -1.601 -2.757) 3.646 9.171 ( 2.996 -0.093 -3.015) 4.251 9.267 ( -5.005 2.077 -3.701) 6.562 9.313 ( -3.369 -1.471 -3.218) 4.885 9.375 ( 0.934 0.299 -1.158) 1.518 9.380 ( 0.624 0.220 -2.221) 2.317 9.497 ( -2.634 0.598 -6.019) 6.598 9.503 ( -1.390 1.074 -1.704) 2.448 9.574 ( 1.504 0.950 -1.536) 2.350 9.646 ( 0.067 1.502 -5.564) 5.763 ======================= Grid point 62 (27/45) ======================= q-point: (-0.50 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -3.981 0.074 2.232) 4.565 1.655 ( 3.981 0.074 2.232) 4.565 1.964 ( -7.834 3.638 7.145) 11.210 1.964 ( 7.834 3.638 7.145) 11.210 2.054 ( -7.477 10.369 9.343) 15.834 2.054 ( 7.477 10.369 9.343) 15.834 2.203 ( -7.058 -4.580 0.213) 8.416 2.203 ( 7.058 -4.580 0.213) 8.416 2.405 ( -5.145 -8.520 5.464) 11.354 2.405 ( 5.145 -8.520 5.464) 11.354 2.458 ( -2.430 4.433 5.083) 7.168 2.458 ( 2.430 4.433 5.083) 7.168 2.613 ( -0.846 -4.538 12.709) 13.521 2.613 ( 0.846 -4.538 12.709) 13.521 2.745 ( -5.609 -6.499 8.570) 12.130 2.745 ( 5.609 -6.499 8.570) 12.130 2.959 ( -3.959 -0.520 -0.220) 3.999 2.959 ( 3.959 -0.520 -0.220) 3.999 3.149 ( -3.289 -1.489 2.972) 4.677 3.149 ( 3.289 -1.489 2.972) 4.677 3.226 ( -3.816 7.248 4.951) 9.571 3.226 ( 3.816 7.248 4.951) 9.571 3.338 ( -2.420 3.290 1.804) 4.465 3.338 ( 2.420 3.290 1.804) 4.465 3.479 ( -8.028 7.704 4.532) 12.014 3.479 ( 8.028 7.704 4.532) 12.014 3.516 ( -3.198 -1.850 6.799) 7.738 3.516 ( 3.198 -1.850 6.799) 7.738 3.681 ( -3.291 1.366 -1.788) 3.987 3.681 ( 3.291 1.366 -1.788) 3.987 3.719 ( -1.769 -1.114 -4.700) 5.144 3.719 ( 1.769 -1.114 -4.700) 5.144 3.823 ( -2.499 -6.857 6.723) 9.923 3.823 ( 2.499 -6.857 6.723) 9.923 3.903 ( -4.442 -4.679 -0.866) 6.510 3.903 ( 4.442 -4.679 -0.866) 6.510 4.103 ( -0.444 2.400 -4.359) 4.996 4.103 ( 0.444 2.400 -4.359) 4.996 4.196 ( -3.668 -1.805 -3.031) 5.089 4.196 ( 3.668 -1.805 -3.031) 5.089 4.243 ( -3.047 0.863 -4.182) 5.246 4.243 ( 3.047 0.863 -4.182) 5.246 4.338 ( -2.331 0.311 -0.588) 2.424 4.338 ( 2.331 0.311 -0.588) 2.424 4.412 ( -0.547 1.809 -1.108) 2.190 4.412 ( 0.547 1.809 -1.108) 2.190 4.505 ( -2.921 0.584 -3.317) 4.458 4.505 ( 2.921 0.584 -3.317) 4.458 4.613 ( -2.679 -2.320 -3.769) 5.173 4.613 ( 2.679 -2.320 -3.769) 5.173 4.668 ( -3.748 3.068 -0.168) 4.846 4.668 ( 3.748 3.068 -0.168) 4.846 4.822 ( -1.824 3.223 -2.616) 4.534 4.822 ( 1.824 3.223 -2.616) 4.534 4.915 ( -2.436 -2.668 -0.061) 3.613 4.915 ( 2.436 -2.668 -0.061) 3.613 4.946 ( -3.298 3.640 -0.888) 4.992 4.946 ( 3.298 3.640 -0.888) 4.992 5.127 ( -1.661 -4.698 0.576) 5.016 5.127 ( 1.661 -4.698 0.576) 5.016 5.243 ( -2.784 0.434 3.189) 4.255 5.243 ( 2.784 0.434 3.189) 4.255 5.302 ( -2.323 0.705 -4.475) 5.091 5.302 ( 2.323 0.705 -4.475) 5.091 5.392 ( -1.346 -1.913 -1.687) 2.884 5.392 ( 1.346 -1.913 -1.687) 2.884 5.559 ( -3.170 -0.902 -0.106) 3.298 5.559 ( 3.170 -0.902 -0.106) 3.298 5.668 ( -3.048 0.942 2.381) 3.981 5.668 ( 3.048 0.942 2.381) 3.981 5.713 ( -2.083 1.025 1.609) 2.824 5.713 ( 2.083 1.025 1.609) 2.824 5.855 ( -4.009 -0.565 -6.694) 7.823 5.855 ( 4.009 -0.565 -6.694) 7.823 6.087 ( -2.332 0.224 -1.468) 2.765 6.087 ( 2.332 0.224 -1.468) 2.765 6.133 ( -2.394 0.049 3.894) 4.571 6.133 ( 2.394 0.049 3.894) 4.571 6.303 ( -0.473 0.328 1.050) 1.197 6.303 ( 0.473 0.328 1.050) 1.197 6.443 ( -0.769 1.621 1.330) 2.233 6.443 ( 0.769 1.621 1.330) 2.233 6.626 ( -1.810 -0.944 4.683) 5.109 6.626 ( 1.810 -0.944 4.683) 5.109 6.686 ( -1.653 -1.299 2.018) 2.914 6.686 ( 1.653 -1.299 2.018) 2.914 6.903 ( -1.385 -0.151 1.371) 1.955 6.903 ( 1.385 -0.151 1.371) 1.955 6.974 ( -1.591 -0.620 -1.339) 2.170 6.974 ( 1.591 -0.620 -1.339) 2.170 7.042 ( -1.861 -2.261 5.064) 5.850 7.042 ( 1.861 -2.261 5.064) 5.850 7.168 ( -2.756 2.181 -1.218) 3.719 7.168 ( 2.756 2.181 -1.218) 3.719 7.289 ( -1.750 -0.698 0.249) 1.901 7.289 ( 1.750 -0.698 0.249) 1.901 8.320 ( -2.352 2.967 2.130) 4.344 8.320 ( 2.352 2.967 2.130) 4.344 8.376 ( -1.469 1.409 -0.200) 2.045 8.376 ( 1.469 1.409 -0.200) 2.045 8.541 ( -0.157 0.549 1.544) 1.646 8.541 ( 0.157 0.549 1.544) 1.646 8.724 ( -1.975 -2.786 0.790) 3.505 8.724 ( 1.975 -2.786 0.790) 3.505 8.761 ( -1.213 -1.787 0.545) 2.227 8.761 ( 1.213 -1.787 0.545) 2.227 8.907 ( -0.367 2.142 -1.835) 2.844 8.907 ( 0.367 2.142 -1.835) 2.844 8.996 ( -1.918 -0.455 -2.254) 2.994 8.996 ( 1.918 -0.455 -2.254) 2.994 9.105 ( -7.129 -1.371 -1.436) 7.400 9.105 ( 7.129 -1.371 -1.436) 7.400 9.246 ( -2.906 -0.665 -5.520) 6.273 9.246 ( 2.906 -0.665 -5.520) 6.273 9.386 ( -0.279 -0.188 -1.238) 1.283 9.386 ( 0.279 -0.188 -1.238) 1.283 9.478 ( -0.589 1.145 -2.673) 2.967 9.478 ( 0.589 1.145 -2.673) 2.967 9.618 ( -2.133 1.576 -3.510) 4.399 9.618 ( 2.133 1.576 -3.510) 4.399 ======================= Grid point 75 (28/45) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 0.000 0.000 16.714) 16.714 1.722 ( 0.000 0.000 24.619) 24.619 1.836 ( 0.000 0.000 -7.088) 7.088 2.062 ( 0.000 0.000 6.989) 6.989 2.250 ( 0.000 0.000 -3.582) 3.582 2.381 ( 0.000 0.000 10.018) 10.018 2.462 ( 0.000 0.000 4.305) 4.305 2.475 ( 0.000 0.000 0.869) 0.869 2.486 ( 0.000 0.000 0.794) 0.794 2.519 ( 0.000 0.000 -3.411) 3.411 2.537 ( 0.000 0.000 3.602) 3.602 2.642 ( 0.000 0.000 9.204) 9.204 2.756 ( 0.000 0.000 2.918) 2.918 2.782 ( 0.000 0.000 4.644) 4.644 2.811 ( 0.000 0.000 0.695) 0.695 2.868 ( 0.000 0.000 37.238) 37.238 2.921 ( 0.000 0.000 0.099) 0.099 3.045 ( 0.000 0.000 -5.422) 5.422 3.141 ( 0.000 0.000 2.230) 2.230 3.160 ( 0.000 0.000 1.888) 1.888 3.236 ( 0.000 0.000 6.420) 6.420 3.429 ( 0.000 0.000 -0.207) 0.207 3.437 ( 0.000 0.000 1.059) 1.059 3.443 ( 0.000 0.000 4.289) 4.289 3.450 ( 0.000 0.000 -1.386) 1.386 3.534 ( 0.000 0.000 -7.823) 7.823 3.546 ( 0.000 0.000 -2.014) 2.014 3.656 ( 0.000 0.000 -0.038) 0.038 3.697 ( 0.000 0.000 8.437) 8.437 3.715 ( 0.000 0.000 6.088) 6.088 3.748 ( 0.000 0.000 -1.545) 1.545 3.763 ( 0.000 0.000 -0.383) 0.383 3.793 ( 0.000 0.000 0.478) 0.478 3.878 ( 0.000 0.000 6.190) 6.190 3.902 ( 0.000 0.000 5.517) 5.517 3.943 ( 0.000 0.000 -5.738) 5.738 3.957 ( 0.000 0.000 -5.213) 5.213 4.017 ( 0.000 0.000 -8.270) 8.270 4.170 ( 0.000 0.000 -0.384) 0.384 4.214 ( 0.000 0.000 -0.163) 0.163 4.229 ( 0.000 0.000 3.405) 3.405 4.258 ( 0.000 0.000 -1.151) 1.151 4.260 ( 0.000 0.000 1.183) 1.183 4.291 ( 0.000 0.000 -3.581) 3.581 4.340 ( 0.000 0.000 -0.420) 0.420 4.410 ( 0.000 0.000 -2.651) 2.651 4.424 ( 0.000 0.000 -5.133) 5.133 4.479 ( 0.000 0.000 0.021) 0.021 4.482 ( 0.000 0.000 -1.302) 1.302 4.519 ( 0.000 0.000 7.038) 7.038 4.599 ( 0.000 0.000 -9.033) 9.033 4.633 ( 0.000 0.000 6.539) 6.539 4.708 ( 0.000 0.000 10.404) 10.404 4.935 ( 0.000 0.000 -4.562) 4.562 4.942 ( 0.000 0.000 5.685) 5.685 4.985 ( 0.000 0.000 4.786) 4.786 5.006 ( 0.000 0.000 1.350) 1.350 5.007 ( 0.000 0.000 -4.656) 4.656 5.070 ( 0.000 0.000 -12.435) 12.435 5.147 ( 0.000 0.000 -3.301) 3.301 5.195 ( 0.000 0.000 -1.441) 1.441 5.248 ( 0.000 0.000 7.292) 7.292 5.296 ( 0.000 0.000 -1.746) 1.746 5.334 ( 0.000 0.000 -7.507) 7.507 5.369 ( 0.000 0.000 -4.330) 4.330 5.381 ( 0.000 0.000 -7.325) 7.325 5.395 ( 0.000 0.000 2.724) 2.724 5.499 ( 0.000 0.000 1.892) 1.892 5.572 ( 0.000 0.000 3.649) 3.649 5.644 ( 0.000 0.000 -0.895) 0.895 5.652 ( 0.000 0.000 -2.242) 2.242 5.671 ( 0.000 0.000 -1.995) 1.995 5.834 ( 0.000 0.000 1.450) 1.450 5.985 ( 0.000 0.000 -3.455) 3.455 5.993 ( 0.000 0.000 2.966) 2.966 6.014 ( 0.000 0.000 -4.678) 4.678 6.146 ( 0.000 0.000 -2.936) 2.936 6.233 ( 0.000 0.000 -1.883) 1.883 6.259 ( 0.000 0.000 1.367) 1.367 6.290 ( 0.000 0.000 0.800) 0.800 6.476 ( 0.000 0.000 2.247) 2.247 6.511 ( 0.000 0.000 1.971) 1.971 6.621 ( 0.000 0.000 -0.249) 0.249 6.629 ( 0.000 0.000 -0.507) 0.507 6.674 ( 0.000 0.000 -3.555) 3.555 6.752 ( 0.000 0.000 -1.864) 1.864 6.852 ( 0.000 0.000 5.380) 5.380 6.954 ( 0.000 0.000 -0.610) 0.610 6.980 ( 0.000 0.000 -0.664) 0.664 6.994 ( 0.000 0.000 -0.432) 0.432 7.053 ( 0.000 0.000 1.896) 1.896 7.140 ( 0.000 0.000 -1.931) 1.931 7.179 ( 0.000 0.000 8.464) 8.464 7.314 ( 0.000 0.000 2.893) 2.893 7.358 ( 0.000 0.000 1.410) 1.410 7.431 ( 0.000 0.000 1.945) 1.945 8.203 ( 0.000 0.000 3.201) 3.201 8.295 ( 0.000 0.000 1.580) 1.580 8.299 ( 0.000 0.000 -0.156) 0.156 8.327 ( 0.000 0.000 1.822) 1.822 8.558 ( 0.000 0.000 1.638) 1.638 8.560 ( 0.000 0.000 2.855) 2.855 8.695 ( 0.000 0.000 -1.143) 1.143 8.702 ( 0.000 0.000 -2.319) 2.319 8.781 ( 0.000 0.000 -0.256) 0.256 8.811 ( 0.000 0.000 -2.227) 2.227 8.838 ( 0.000 0.000 0.837) 0.837 8.944 ( 0.000 0.000 1.869) 1.869 8.996 ( 0.000 0.000 3.098) 3.098 9.054 ( 0.000 0.000 -4.963) 4.963 9.111 ( 0.000 0.000 -1.198) 1.198 9.128 ( 0.000 0.000 -1.628) 1.628 9.146 ( 0.000 0.000 -4.999) 4.999 9.230 ( 0.000 0.000 -4.992) 4.992 9.265 ( 0.000 0.000 -3.046) 3.046 9.322 ( 0.000 0.000 0.867) 0.867 9.398 ( 0.000 0.000 -6.589) 6.589 9.467 ( 0.000 0.000 -1.806) 1.806 9.535 ( 0.000 0.000 2.478) 2.478 9.566 ( 0.000 0.000 0.385) 0.385 ======================= Grid point 76 (29/45) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 12.089 0.000 15.530) 19.680 1.812 ( 7.912 0.000 19.712) 21.241 1.931 ( 7.174 0.000 -3.475) 7.971 2.086 ( -3.116 0.000 4.931) 5.833 2.182 ( -1.751 0.000 7.605) 7.804 2.362 ( -3.705 0.000 0.575) 3.749 2.373 ( -4.989 0.000 5.474) 7.406 2.382 ( -6.774 0.000 6.808) 9.604 2.423 ( -4.818 0.000 2.589) 5.470 2.471 ( 1.041 0.000 6.719) 6.799 2.535 ( -8.211 0.000 -0.271) 8.215 2.617 ( 6.846 0.000 -3.548) 7.711 2.676 ( -6.216 0.000 5.885) 8.560 2.839 ( 0.794 0.000 0.296) 0.848 2.922 ( 1.804 0.000 0.899) 2.016 2.958 ( 8.528 0.000 5.560) 10.181 2.981 ( 7.529 0.000 25.810) 26.886 3.051 ( 4.122 0.000 0.183) 4.126 3.114 ( -3.352 0.000 -3.701) 4.994 3.201 ( 1.903 0.000 5.395) 5.721 3.250 ( -0.392 0.000 7.348) 7.358 3.333 ( -5.404 0.000 -2.211) 5.839 3.410 ( -0.805 0.000 -2.764) 2.879 3.437 ( -1.599 0.000 5.004) 5.253 3.492 ( 3.083 0.000 -0.539) 3.130 3.494 ( 1.560 0.000 7.652) 7.809 3.586 ( -4.756 0.000 1.945) 5.138 3.647 ( 0.726 0.000 -2.110) 2.231 3.678 ( -3.818 0.000 -4.780) 6.118 3.700 ( 2.626 0.000 2.185) 3.416 3.717 ( 3.148 0.000 -3.151) 4.454 3.777 ( 0.195 0.000 0.725) 0.750 3.842 ( -2.607 0.000 5.288) 5.896 3.927 ( 3.337 0.000 7.794) 8.478 3.932 ( -2.744 0.000 -2.908) 3.998 3.969 ( 6.823 0.000 1.355) 6.956 3.977 ( -5.332 0.000 0.820) 5.394 3.981 ( -3.723 0.000 -4.751) 6.036 4.102 ( -3.081 0.000 -1.096) 3.270 4.155 ( -1.115 0.000 -0.103) 1.119 4.187 ( 3.057 0.000 -2.659) 4.051 4.253 ( 3.828 0.000 3.383) 5.109 4.291 ( -3.853 0.000 -0.250) 3.861 4.329 ( 1.175 0.000 1.415) 1.840 4.344 ( -2.209 0.000 0.069) 2.210 4.371 ( -1.199 0.000 -4.345) 4.507 4.439 ( -0.917 0.000 0.828) 1.235 4.447 ( 5.309 0.000 0.648) 5.348 4.523 ( 1.024 0.000 -2.441) 2.647 4.538 ( 1.001 0.000 7.152) 7.222 4.546 ( 0.653 0.000 -4.223) 4.273 4.660 ( 5.740 0.000 -6.921) 8.991 4.746 ( -9.807 0.000 -0.851) 9.844 4.767 ( -9.720 0.000 1.881) 9.900 4.909 ( -7.254 0.000 -4.740) 8.665 4.957 ( 9.615 0.000 2.560) 9.950 5.030 ( -6.351 0.000 -4.422) 7.739 5.040 ( 2.356 0.000 0.976) 2.550 5.096 ( 2.464 0.000 4.047) 4.738 5.114 ( -1.670 0.000 -4.814) 5.095 5.172 ( -0.919 0.000 -4.452) 4.545 5.203 ( -2.146 0.000 -3.632) 4.218 5.328 ( 2.277 0.000 -5.496) 5.949 5.374 ( 0.886 0.000 -0.961) 1.307 5.427 ( 6.213 0.000 -2.082) 6.553 5.450 ( 4.664 0.000 -0.035) 4.664 5.471 ( 3.220 0.000 -0.549) 3.267 5.481 ( -1.022 0.000 1.070) 1.479 5.568 ( 1.196 0.000 1.568) 1.972 5.636 ( -0.327 0.000 -0.592) 0.677 5.674 ( 1.362 0.000 -2.389) 2.750 5.688 ( -0.210 0.000 -2.843) 2.851 5.827 ( -0.265 0.000 4.044) 4.052 5.935 ( -3.678 0.000 -1.316) 3.907 6.021 ( 2.054 0.000 -1.164) 2.361 6.050 ( 3.179 0.000 0.758) 3.268 6.139 ( -0.828 0.000 -2.629) 2.756 6.204 ( -0.423 0.000 0.051) 0.426 6.228 ( -2.720 0.000 1.337) 3.031 6.292 ( -1.350 0.000 -0.167) 1.361 6.471 ( 0.198 0.000 2.772) 2.779 6.512 ( -0.842 0.000 3.539) 3.637 6.614 ( -0.269 0.000 -1.088) 1.121 6.659 ( -1.525 0.000 -0.639) 1.654 6.695 ( 5.567 0.000 -3.583) 6.620 6.785 ( 3.177 0.000 -4.136) 5.215 6.862 ( 0.319 0.000 4.587) 4.598 6.935 ( -1.185 0.000 -0.691) 1.372 6.956 ( -2.525 0.000 -2.419) 3.497 7.009 ( 1.414 0.000 0.636) 1.551 7.013 ( -3.041 0.000 2.209) 3.759 7.106 ( -2.614 0.000 -1.266) 2.904 7.225 ( 3.581 0.000 7.342) 8.169 7.321 ( 0.610 0.000 2.539) 2.612 7.353 ( -0.496 0.000 1.554) 1.631 7.396 ( -2.972 0.000 3.092) 4.289 8.222 ( 1.591 0.000 2.968) 3.367 8.295 ( 0.048 0.000 1.171) 1.172 8.299 ( -0.032 0.000 0.229) 0.231 8.310 ( -1.545 0.000 1.998) 2.526 8.552 ( -0.306 0.000 1.848) 1.874 8.557 ( -0.290 0.000 2.582) 2.598 8.699 ( 0.319 0.000 -1.849) 1.876 8.707 ( 0.229 0.000 -1.865) 1.879 8.822 ( 1.035 0.000 -1.808) 2.083 8.826 ( 3.831 0.000 -1.029) 3.967 8.845 ( 0.496 0.000 0.615) 0.790 8.934 ( -0.674 0.000 1.719) 1.846 8.969 ( -2.054 0.000 1.713) 2.674 9.016 ( -3.150 0.000 -3.954) 5.056 9.136 ( 1.471 0.000 -3.560) 3.852 9.151 ( 0.382 0.000 -5.621) 5.634 9.172 ( 3.511 0.000 -0.424) 3.537 9.260 ( 2.820 0.000 -3.002) 4.119 9.271 ( 0.170 0.000 -2.263) 2.269 9.323 ( 0.060 0.000 -0.363) 0.368 9.391 ( -0.361 0.000 -4.919) 4.932 9.461 ( -0.363 0.000 -1.517) 1.560 9.508 ( -2.109 0.000 1.749) 2.740 9.517 ( -4.091 0.000 0.418) 4.112 ======================= Grid point 77 (30/45) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -15.066 0.000 13.133) 19.987 1.829 ( 15.066 0.000 13.133) 19.987 2.001 ( -5.467 0.000 9.176) 10.681 2.001 ( 5.467 0.000 9.176) 10.681 2.267 ( -1.590 0.000 2.000) 2.555 2.267 ( 1.590 0.000 2.000) 2.555 2.285 ( -6.037 0.000 4.248) 7.382 2.285 ( 6.037 0.000 4.248) 7.382 2.382 ( -3.893 0.000 2.316) 4.530 2.382 ( 3.893 0.000 2.316) 4.530 2.552 ( -5.038 0.000 8.423) 9.815 2.552 ( 5.038 0.000 8.423) 9.815 2.780 ( -6.674 0.000 -4.368) 7.977 2.780 ( 6.674 0.000 -4.368) 7.977 2.960 ( -2.044 0.000 -3.224) 3.817 2.960 ( 2.044 0.000 -3.224) 3.817 3.114 ( -5.088 0.000 -0.406) 5.104 3.114 ( 5.088 0.000 -0.406) 5.104 3.158 ( -5.097 0.000 13.852) 14.760 3.158 ( 5.097 0.000 13.852) 14.760 3.309 ( -10.745 0.000 5.001) 11.852 3.309 ( 10.745 0.000 5.001) 11.852 3.379 ( -4.018 0.000 6.634) 7.756 3.379 ( 4.018 0.000 6.634) 7.756 3.524 ( -1.367 0.000 0.968) 1.675 3.524 ( 1.367 0.000 0.968) 1.675 3.578 ( -4.638 0.000 -3.347) 5.720 3.578 ( 4.638 0.000 -3.347) 5.720 3.664 ( -7.287 0.000 10.519) 12.796 3.664 ( 7.287 0.000 10.519) 12.796 3.799 ( -4.251 0.000 4.303) 6.049 3.799 ( 4.251 0.000 4.303) 6.049 3.823 ( -5.880 0.000 -2.281) 6.307 3.823 ( 5.880 0.000 -2.281) 6.307 3.868 ( -5.698 0.000 -4.322) 7.152 3.868 ( 5.698 0.000 -4.322) 7.152 4.047 ( -3.375 0.000 -6.137) 7.004 4.047 ( 3.375 0.000 -6.137) 7.004 4.129 ( -7.676 0.000 1.798) 7.884 4.129 ( 7.676 0.000 1.798) 7.884 4.220 ( -6.388 0.000 2.233) 6.767 4.220 ( 6.388 0.000 2.233) 6.767 4.333 ( -7.081 0.000 1.288) 7.198 4.333 ( 7.081 0.000 1.288) 7.198 4.372 ( -1.416 0.000 -3.255) 3.549 4.372 ( 1.416 0.000 -3.255) 3.549 4.482 ( -5.213 0.000 3.824) 6.465 4.482 ( 5.213 0.000 3.824) 6.465 4.502 ( -6.299 0.000 -1.788) 6.548 4.502 ( 6.299 0.000 -1.788) 6.548 4.580 ( -3.824 0.000 -0.333) 3.838 4.580 ( 3.824 0.000 -0.333) 3.838 4.738 ( -5.866 0.000 -3.868) 7.026 4.738 ( 5.866 0.000 -3.868) 7.026 4.841 ( -8.502 0.000 -2.655) 8.908 4.841 ( 8.502 0.000 -2.655) 8.908 5.050 ( -1.808 0.000 -2.894) 3.412 5.050 ( 1.808 0.000 -2.894) 3.412 5.130 ( -2.373 0.000 -8.435) 8.762 5.130 ( 2.373 0.000 -8.435) 8.762 5.169 ( -3.287 0.000 2.798) 4.317 5.169 ( 3.287 0.000 2.798) 4.317 5.361 ( -1.497 0.000 -2.023) 2.517 5.361 ( 1.497 0.000 -2.023) 2.517 5.479 ( -1.013 0.000 2.168) 2.393 5.479 ( 1.013 0.000 2.168) 2.393 5.527 ( -0.299 0.000 -2.069) 2.090 5.527 ( 0.299 0.000 -2.069) 2.090 5.642 ( -3.892 0.000 -2.734) 4.756 5.642 ( 3.892 0.000 -2.734) 4.756 5.649 ( -2.198 0.000 -0.750) 2.323 5.649 ( 2.198 0.000 -0.750) 2.323 5.860 ( -3.047 0.000 3.121) 4.362 5.860 ( 3.047 0.000 3.121) 4.362 6.075 ( -2.306 0.000 -1.114) 2.561 6.075 ( 2.306 0.000 -1.114) 2.561 6.155 ( -3.453 0.000 1.043) 3.608 6.155 ( 3.453 0.000 1.043) 3.608 6.236 ( -2.899 0.000 0.517) 2.944 6.236 ( 2.899 0.000 0.517) 2.944 6.487 ( -1.118 0.000 3.303) 3.487 6.487 ( 1.118 0.000 3.303) 3.487 6.624 ( -1.266 0.000 -0.807) 1.501 6.624 ( 1.266 0.000 -0.807) 1.501 6.817 ( -4.610 0.000 -2.665) 5.325 6.817 ( 4.610 0.000 -2.665) 5.325 6.875 ( -4.499 0.000 -3.935) 5.977 6.875 ( 4.499 0.000 -3.935) 5.977 6.947 ( -2.382 0.000 2.982) 3.816 6.947 ( 2.382 0.000 2.982) 3.816 7.050 ( -2.294 0.000 0.100) 2.296 7.050 ( 2.294 0.000 0.100) 2.296 7.314 ( -4.252 0.000 5.303) 6.797 7.314 ( 4.252 0.000 5.303) 6.797 7.338 ( -0.850 0.000 1.955) 2.132 7.338 ( 0.850 0.000 1.955) 2.132 8.266 ( -2.262 0.000 2.452) 3.336 8.266 ( 2.262 0.000 2.452) 3.336 8.297 ( -0.123 0.000 0.688) 0.699 8.297 ( 0.123 0.000 0.688) 0.699 8.551 ( -0.157 0.000 2.195) 2.201 8.551 ( 0.157 0.000 2.195) 2.201 8.706 ( -0.272 0.000 -2.020) 2.038 8.706 ( 0.272 0.000 -2.020) 2.038 8.847 ( -0.674 0.000 -0.449) 0.810 8.847 ( 0.674 0.000 -0.449) 0.810 8.926 ( -4.826 0.000 -2.527) 5.447 8.926 ( 4.826 0.000 -2.527) 5.447 8.931 ( -0.850 0.000 1.255) 1.516 8.931 ( 0.850 0.000 1.255) 1.516 9.155 ( -0.224 0.000 -5.744) 5.749 9.155 ( 0.224 0.000 -5.744) 5.749 9.248 ( -2.626 0.000 -0.521) 2.677 9.248 ( 2.626 0.000 -0.521) 2.677 9.317 ( -1.165 0.000 -2.127) 2.425 9.317 ( 1.165 0.000 -2.127) 2.425 9.419 ( -3.790 0.000 -0.755) 3.865 9.419 ( 3.790 0.000 -0.755) 3.865 9.467 ( -1.182 0.000 -0.252) 1.208 9.467 ( 1.182 0.000 -0.252) 1.208 ======================= Grid point 80 (31/45) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 0.000 9.854 13.539) 16.745 1.757 ( 0.000 2.347 20.275) 20.411 1.788 ( 0.000 -3.811 -5.187) 6.437 1.984 ( 0.000 -5.061 6.536) 8.266 2.271 ( 0.000 1.608 -3.202) 3.583 2.358 ( 0.000 -9.090 0.391) 9.098 2.404 ( 0.000 2.303 5.724) 6.170 2.455 ( 0.000 -2.682 3.260) 4.222 2.465 ( 0.000 -1.623 6.305) 6.511 2.488 ( 0.000 -1.462 -1.222) 1.905 2.610 ( 0.000 5.712 -1.681) 5.954 2.697 ( 0.000 6.298 10.940) 12.623 2.707 ( 0.000 -0.828 9.295) 9.331 2.833 ( 0.000 3.110 4.601) 5.553 2.843 ( 0.000 2.695 -0.198) 2.702 2.960 ( 0.000 -0.528 14.494) 14.504 3.004 ( 0.000 3.770 2.439) 4.490 3.052 ( 0.000 4.656 7.436) 8.773 3.108 ( 0.000 -3.619 4.728) 5.954 3.131 ( 0.000 1.923 10.154) 10.334 3.189 ( 0.000 -4.908 7.050) 8.590 3.326 ( 0.000 -5.214 -3.082) 6.056 3.368 ( 0.000 -4.812 7.281) 8.727 3.412 ( 0.000 -3.619 -4.565) 5.825 3.488 ( 0.000 -0.881 6.391) 6.452 3.510 ( 0.000 2.620 3.090) 4.051 3.529 ( 0.000 3.497 -6.669) 7.531 3.641 ( 0.000 -6.257 -3.015) 6.945 3.671 ( 0.000 -6.490 3.550) 7.398 3.731 ( 0.000 -0.253 -1.137) 1.165 3.756 ( 0.000 1.804 -4.304) 4.667 3.787 ( 0.000 4.551 1.087) 4.679 3.790 ( 0.000 -3.180 -0.947) 3.318 3.847 ( 0.000 -8.294 0.333) 8.301 3.913 ( 0.000 -2.939 2.365) 3.772 3.930 ( 0.000 9.336 2.427) 9.646 4.010 ( 0.000 4.584 -4.914) 6.720 4.038 ( 0.000 3.883 1.367) 4.117 4.120 ( 0.000 -5.096 -2.123) 5.520 4.146 ( 0.000 -1.600 -4.185) 4.481 4.219 ( 0.000 -1.237 -2.240) 2.559 4.237 ( 0.000 -2.130 1.840) 2.815 4.303 ( 0.000 -1.502 -6.773) 6.937 4.320 ( 0.000 0.317 -3.285) 3.300 4.333 ( 0.000 4.092 2.868) 4.997 4.404 ( 0.000 3.148 -0.648) 3.213 4.433 ( 0.000 0.771 1.239) 1.459 4.500 ( 0.000 2.099 -6.350) 6.687 4.539 ( 0.000 0.504 1.207) 1.308 4.606 ( 0.000 1.459 -3.584) 3.870 4.655 ( 0.000 3.171 3.686) 4.863 4.663 ( 0.000 8.603 4.773) 9.838 4.789 ( 0.000 3.529 3.313) 4.840 4.869 ( 0.000 -0.181 -6.424) 6.427 4.879 ( 0.000 -6.713 6.807) 9.561 4.932 ( 0.000 -2.952 0.436) 2.984 4.967 ( 0.000 -2.013 -0.644) 2.114 5.011 ( 0.000 0.074 3.299) 3.300 5.132 ( 0.000 1.880 -10.142) 10.315 5.143 ( 0.000 -0.756 -1.485) 1.666 5.213 ( 0.000 1.823 1.723) 2.509 5.242 ( 0.000 -3.579 -3.754) 5.187 5.276 ( 0.000 1.684 6.555) 6.768 5.276 ( 0.000 -4.017 -6.667) 7.783 5.388 ( 0.000 1.348 -3.823) 4.053 5.397 ( 0.000 1.190 -3.376) 3.580 5.405 ( 0.000 0.325 1.993) 2.019 5.489 ( 0.000 -0.657 2.171) 2.268 5.567 ( 0.000 -1.198 1.658) 2.045 5.613 ( 0.000 -1.875 -0.746) 2.018 5.691 ( 0.000 2.579 -2.948) 3.917 5.719 ( 0.000 4.186 -0.120) 4.187 5.829 ( 0.000 -0.093 2.156) 2.158 5.950 ( 0.000 -2.161 -1.715) 2.759 6.015 ( 0.000 -0.131 -4.224) 4.226 6.028 ( 0.000 1.226 -0.013) 1.226 6.141 ( 0.000 0.200 -1.938) 1.949 6.253 ( 0.000 1.671 -1.590) 2.307 6.260 ( 0.000 -0.049 0.892) 0.893 6.302 ( 0.000 0.794 0.483) 0.929 6.480 ( 0.000 0.281 1.982) 2.002 6.504 ( 0.000 -0.405 2.444) 2.478 6.620 ( 0.000 0.637 0.057) 0.639 6.666 ( 0.000 2.161 -1.131) 2.439 6.673 ( 0.000 -0.135 -3.448) 3.451 6.753 ( 0.000 0.098 -2.193) 2.195 6.796 ( 0.000 -3.008 4.716) 5.593 6.897 ( 0.000 -3.989 -3.160) 5.089 6.984 ( 0.000 -0.029 4.078) 4.078 7.055 ( 0.000 4.096 1.450) 4.345 7.088 ( 0.000 2.017 -0.821) 2.178 7.151 ( 0.000 -2.203 7.993) 8.291 7.165 ( 0.000 2.536 -1.830) 3.127 7.281 ( 0.000 -5.273 2.465) 5.821 7.293 ( 0.000 -3.010 3.173) 4.374 7.400 ( 0.000 -2.441 1.109) 2.682 8.231 ( 0.000 2.409 3.113) 3.936 8.315 ( 0.000 1.553 1.787) 2.367 8.334 ( 0.000 3.101 -0.330) 3.119 8.363 ( 0.000 3.085 1.519) 3.439 8.564 ( 0.000 0.523 2.060) 2.125 8.566 ( 0.000 0.494 3.049) 3.089 8.716 ( 0.000 1.562 -0.888) 1.797 8.745 ( 0.000 -2.501 -0.679) 2.592 8.756 ( 0.000 1.995 -3.326) 3.878 8.803 ( 0.000 -0.680 -2.395) 2.489 8.829 ( 0.000 0.769 0.036) 0.770 8.915 ( 0.000 -2.049 1.690) 2.656 8.961 ( 0.000 -2.325 2.508) 3.420 8.971 ( 0.000 -5.797 -3.981) 7.033 9.073 ( 0.000 -3.189 -3.190) 4.511 9.104 ( 0.000 -1.277 -1.987) 2.362 9.206 ( 0.000 2.988 -3.678) 4.739 9.279 ( 0.000 0.967 -2.817) 2.979 9.281 ( 0.000 3.412 -4.503) 5.650 9.330 ( 0.000 1.050 1.917) 2.186 9.395 ( 0.000 0.262 -6.708) 6.713 9.499 ( 0.000 2.026 -2.382) 3.128 9.519 ( 0.000 -1.451 1.520) 2.102 9.564 ( 0.000 -0.201 -0.163) 0.259 ======================= Grid point 81 (32/45) ======================= q-point: ( 0.25 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 9.565 6.798 12.218) 16.941 1.794 ( 3.678 -2.746 12.170) 13.007 1.871 ( 5.540 -3.236 1.772) 6.656 2.038 ( 3.719 -2.630 5.477) 7.124 2.216 ( -4.056 2.959 4.407) 6.680 2.314 ( -3.960 -5.872 0.761) 7.123 2.317 ( -7.842 -3.706 5.185) 10.105 2.389 ( -3.456 -1.437 1.570) 4.059 2.444 ( -5.276 4.196 7.221) 9.878 2.490 ( 2.485 0.766 6.647) 7.137 2.527 ( -2.912 3.250 1.700) 4.683 2.663 ( -0.039 1.128 2.094) 2.379 2.715 ( -0.492 2.147 0.782) 2.338 2.842 ( 0.639 2.638 5.176) 5.845 2.961 ( 1.617 -3.568 3.634) 5.343 2.988 ( 1.128 3.222 -0.257) 3.423 3.009 ( 3.496 -0.610 10.495) 11.079 3.077 ( -1.215 -1.281 -3.115) 3.580 3.117 ( 4.385 -1.864 3.594) 5.968 3.138 ( 0.868 4.235 15.533) 16.123 3.219 ( 4.705 1.405 9.472) 10.669 3.293 ( -5.783 -0.054 2.226) 6.197 3.376 ( -0.927 -4.545 5.051) 6.857 3.398 ( 1.287 -3.212 3.325) 4.799 3.476 ( -0.910 -0.571 -0.221) 1.097 3.512 ( 5.097 -0.568 3.647) 6.293 3.551 ( 1.241 -3.194 -0.018) 3.427 3.606 ( -1.416 -2.011 -0.177) 2.465 3.674 ( -3.927 -3.624 -1.673) 5.599 3.691 ( -2.634 -2.637 -0.733) 3.798 3.758 ( 0.518 4.055 -1.300) 4.290 3.789 ( 1.804 2.942 -5.003) 6.078 3.823 ( 1.726 -1.268 2.634) 3.395 3.893 ( 1.611 -2.594 -2.049) 3.677 3.934 ( 1.628 4.015 2.352) 4.930 3.987 ( -1.596 -2.997 -1.535) 3.726 4.004 ( 0.097 3.241 -6.592) 7.346 4.069 ( 4.961 -3.259 2.946) 6.626 4.091 ( -7.454 0.879 6.497) 9.928 4.102 ( -0.937 5.074 1.289) 5.319 4.165 ( -3.383 -3.161 -3.445) 5.771 4.235 ( 0.857 -0.649 -0.258) 1.105 4.266 ( 0.965 0.824 -0.227) 1.289 4.317 ( -1.199 -0.751 -3.626) 3.892 4.355 ( 2.775 0.645 0.694) 2.933 4.408 ( 2.153 0.608 -0.805) 2.378 4.461 ( -2.024 3.502 1.195) 4.217 4.470 ( 0.466 1.790 -1.867) 2.628 4.540 ( 0.489 0.308 -0.375) 0.689 4.592 ( -0.222 4.226 -5.903) 7.263 4.635 ( -0.747 3.919 3.237) 5.138 4.675 ( 1.345 0.750 -4.309) 4.576 4.732 ( -4.643 0.805 -2.039) 5.134 4.793 ( -6.896 0.238 4.007) 7.980 4.890 ( -1.531 -0.087 -1.944) 2.476 4.949 ( -0.088 -1.925 -1.613) 2.513 4.974 ( 0.350 -3.873 -1.560) 4.190 5.024 ( -2.890 -0.910 0.848) 3.146 5.037 ( 2.581 -0.754 4.399) 5.155 5.153 ( -2.016 -1.124 -7.491) 7.838 5.197 ( -1.166 1.578 -2.484) 3.165 5.211 ( -1.166 1.088 -4.317) 4.602 5.322 ( 2.998 -1.298 -1.874) 3.767 5.345 ( 1.240 -1.616 -0.533) 2.105 5.395 ( 3.059 -1.115 2.309) 3.991 5.428 ( 1.804 -0.005 2.284) 2.911 5.478 ( 4.279 -0.671 -0.661) 4.382 5.496 ( 2.379 0.309 -2.719) 3.626 5.593 ( 1.643 0.264 -0.178) 1.673 5.610 ( -0.201 0.001 -1.460) 1.473 5.691 ( -0.556 1.098 -2.839) 3.094 5.725 ( 0.502 2.893 -0.678) 3.014 5.830 ( -0.163 0.230 3.912) 3.922 5.920 ( -3.068 -1.682 -1.099) 3.667 6.014 ( 1.558 -0.803 -1.345) 2.209 6.065 ( 1.976 0.990 -0.460) 2.258 6.140 ( -0.031 0.546 -1.014) 1.152 6.206 ( -1.592 0.748 1.426) 2.264 6.264 ( -0.810 2.318 -0.650) 2.541 6.298 ( -0.977 0.451 -0.311) 1.120 6.470 ( -0.130 0.190 3.181) 3.189 6.508 ( -0.642 -0.431 3.084) 3.179 6.629 ( 0.149 0.941 -0.807) 1.249 6.660 ( -1.151 0.054 -0.869) 1.443 6.706 ( 3.932 0.891 -3.049) 5.055 6.772 ( 1.720 -1.543 -2.965) 3.759 6.813 ( 1.604 -1.770 2.881) 3.743 6.902 ( 0.047 -2.846 -3.365) 4.407 6.965 ( -1.424 -0.471 4.534) 4.775 7.025 ( -3.211 3.907 -1.144) 5.186 7.071 ( -0.262 2.105 1.403) 2.543 7.134 ( -1.966 2.560 -1.210) 3.447 7.194 ( 2.886 -2.445 6.766) 7.752 7.282 ( -0.364 -5.578 3.623) 6.662 7.299 ( 0.741 -1.886 1.991) 2.841 7.377 ( -2.023 -1.873 1.374) 3.080 8.249 ( 1.623 2.435 2.860) 4.092 8.321 ( 0.438 1.955 1.358) 2.421 8.334 ( -0.124 2.995 -0.027) 2.997 8.343 ( -1.682 2.874 1.702) 3.740 8.560 ( -0.093 0.654 2.254) 2.349 8.566 ( -0.108 0.816 2.756) 2.876 8.730 ( 0.988 2.126 -1.151) 2.611 8.743 ( 0.111 0.981 -1.902) 2.143 8.789 ( 1.563 -0.938 -2.813) 3.353 8.816 ( 1.794 -1.879 -1.307) 2.908 8.824 ( -0.309 -0.601 0.312) 0.744 8.908 ( -0.671 -2.162 1.071) 2.504 8.920 ( -1.437 -3.080 -0.460) 3.430 9.000 ( -0.355 -2.099 -2.076) 2.973 9.079 ( 1.101 -4.173 -3.114) 5.322 9.121 ( 0.918 -1.804 -4.143) 4.611 9.189 ( -0.447 1.251 -0.930) 1.622 9.273 ( -0.947 -0.058 -2.120) 2.323 9.311 ( 2.550 2.712 -3.972) 5.444 9.343 ( 1.077 1.848 0.881) 2.313 9.378 ( -1.216 -0.187 -5.077) 5.224 9.481 ( -2.791 -0.775 1.003) 3.066 9.502 ( -0.100 2.053 -1.979) 2.853 9.545 ( -1.469 1.232 -0.882) 2.111 ======================= Grid point 82 (33/45) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -6.074 -3.976 8.095) 10.873 1.813 ( 6.074 -3.976 8.095) 10.873 1.990 ( -6.744 2.873 8.006) 10.855 1.990 ( 6.744 2.873 8.006) 10.855 2.201 ( -2.842 -2.001 7.995) 8.718 2.201 ( 2.842 -2.001 7.995) 8.718 2.283 ( -3.810 -3.324 0.116) 5.057 2.283 ( 3.810 -3.324 0.116) 5.057 2.432 ( -3.527 4.503 3.009) 6.462 2.432 ( 3.527 4.503 3.009) 6.462 2.581 ( -4.994 1.113 8.065) 9.551 2.581 ( 4.994 1.113 8.065) 9.551 2.811 ( -4.784 2.096 -2.834) 5.943 2.811 ( 4.784 2.096 -2.834) 5.943 2.970 ( -0.657 -1.651 1.467) 2.304 2.970 ( 0.657 -1.651 1.467) 2.304 3.049 ( -0.963 -2.407 3.517) 4.369 3.049 ( 0.963 -2.407 3.517) 4.369 3.155 ( -3.860 -0.092 5.721) 6.902 3.155 ( 3.860 -0.092 5.721) 6.902 3.306 ( -6.468 -2.189 0.682) 6.862 3.306 ( 6.468 -2.189 0.682) 6.862 3.363 ( -6.043 2.144 10.193) 12.042 3.363 ( 6.043 2.144 10.193) 12.042 3.523 ( -4.755 -2.371 1.609) 5.552 3.523 ( 4.755 -2.371 1.609) 5.552 3.609 ( -0.559 -3.029 -1.635) 3.487 3.609 ( 0.559 -3.029 -1.635) 3.487 3.685 ( -8.985 3.639 13.159) 16.344 3.685 ( 8.985 3.639 13.159) 16.344 3.706 ( -5.104 1.751 -2.070) 5.780 3.706 ( 5.104 1.751 -2.070) 5.780 3.831 ( -3.779 -0.400 -2.766) 4.700 3.831 ( 3.779 -0.400 -2.766) 4.700 3.979 ( -1.186 -0.200 -0.808) 1.449 3.979 ( 1.186 -0.200 -0.808) 1.449 4.044 ( -3.342 5.092 -4.221) 7.410 4.044 ( 3.342 5.092 -4.221) 7.410 4.067 ( -3.000 -3.871 1.122) 5.024 4.067 ( 3.000 -3.871 1.122) 5.024 4.216 ( -4.487 -0.743 -2.331) 5.111 4.216 ( 4.487 -0.743 -2.331) 5.111 4.308 ( -2.387 -2.735 -1.508) 3.930 4.308 ( 2.387 -2.735 -1.508) 3.930 4.389 ( -5.175 2.030 1.883) 5.869 4.389 ( 5.175 2.030 1.883) 5.869 4.482 ( -3.469 0.079 -2.901) 4.523 4.482 ( 3.469 0.079 -2.901) 4.523 4.552 ( -1.501 4.103 1.551) 4.637 4.552 ( 1.501 4.103 1.551) 4.637 4.620 ( -1.144 1.685 -0.332) 2.063 4.620 ( 1.144 1.685 -0.332) 2.063 4.757 ( -2.875 0.554 -1.780) 3.426 4.757 ( 2.875 0.554 -1.780) 3.426 4.867 ( -5.312 2.597 -1.207) 6.035 4.867 ( 5.312 2.597 -1.207) 6.035 4.966 ( -1.489 -4.965 -2.919) 5.949 4.966 ( 1.489 -4.965 -2.919) 5.949 5.124 ( -2.231 -0.787 -3.737) 4.423 5.124 ( 2.231 -0.787 -3.737) 4.423 5.187 ( -1.013 0.114 -2.918) 3.091 5.187 ( 1.013 0.114 -2.918) 3.091 5.352 ( -0.639 -0.748 0.036) 0.984 5.352 ( 0.639 -0.748 0.036) 0.984 5.438 ( -0.305 -1.559 3.267) 3.632 5.438 ( 0.305 -1.559 3.267) 3.632 5.550 ( -1.559 -0.002 -2.658) 3.082 5.550 ( 1.559 -0.002 -2.658) 3.082 5.621 ( -0.543 0.962 -2.770) 2.982 5.621 ( 0.543 0.962 -2.770) 2.982 5.686 ( -2.694 1.276 -2.091) 3.641 5.686 ( 2.694 1.276 -2.091) 3.641 5.856 ( -2.546 -0.682 3.940) 4.740 5.856 ( 2.546 -0.682 3.940) 4.740 6.062 ( -2.361 -0.871 -1.399) 2.879 6.062 ( 2.361 -0.871 -1.399) 2.879 6.169 ( -2.341 1.156 1.674) 3.102 6.169 ( 2.341 1.156 1.674) 3.102 6.265 ( -1.333 2.211 -0.292) 2.598 6.265 ( 1.333 2.211 -0.292) 2.598 6.483 ( -1.199 -0.205 3.405) 3.615 6.483 ( 1.199 -0.205 3.405) 3.615 6.636 ( -0.752 1.008 -0.787) 1.483 6.636 ( 0.752 1.008 -0.787) 1.483 6.780 ( -1.794 -2.669 -1.195) 3.431 6.780 ( 1.794 -2.669 -1.195) 3.431 6.878 ( -3.044 -0.607 -3.674) 4.810 6.878 ( 3.044 -0.607 -3.674) 4.810 6.951 ( -1.450 1.348 2.376) 3.093 6.951 ( 1.450 1.348 2.376) 3.093 7.091 ( -1.752 2.929 -0.016) 3.413 7.091 ( 1.752 2.929 -0.016) 3.413 7.256 ( -2.211 -4.297 5.411) 7.254 7.256 ( 2.211 -4.297 5.411) 7.254 7.328 ( -1.998 -1.360 1.401) 2.794 7.328 ( 1.998 -1.360 1.401) 2.794 8.295 ( -2.378 2.568 2.264) 4.168 8.295 ( 2.378 2.568 2.264) 4.168 8.330 ( -0.316 2.632 0.593) 2.716 8.330 ( 0.316 2.632 0.593) 2.716 8.562 ( -0.213 0.957 2.470) 2.658 8.562 ( 0.213 0.957 2.470) 2.658 8.744 ( -0.170 2.699 -2.053) 3.395 8.744 ( 0.170 2.699 -2.053) 3.395 8.813 ( -0.778 -2.672 -0.316) 2.801 8.813 ( 0.778 -2.672 -0.316) 2.801 8.866 ( -2.104 -3.024 -0.887) 3.789 8.866 ( 2.104 -3.024 -0.887) 3.789 8.950 ( -3.083 -0.122 -1.332) 3.361 8.950 ( 3.083 -0.122 -1.332) 3.361 9.111 ( -1.377 -3.571 -4.549) 5.945 9.111 ( 1.377 -3.571 -4.549) 5.945 9.227 ( -2.937 -1.007 -0.190) 3.110 9.227 ( 2.937 -1.007 -0.190) 3.110 9.353 ( -0.873 1.385 -3.836) 4.171 9.353 ( 0.873 1.385 -3.836) 4.171 9.401 ( -3.911 0.415 0.866) 4.027 9.401 ( 3.911 0.415 0.866) 4.027 9.514 ( -1.122 2.560 -1.878) 3.367 9.514 ( 1.122 2.560 -1.878) 3.367 ======================= Grid point 85 (34/45) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 0.000 0.906 2.421) 2.585 1.727 ( 0.000 -3.824 7.255) 8.201 1.776 ( 0.000 10.838 3.536) 11.400 1.983 ( 0.000 0.556 1.996) 2.073 2.141 ( 0.000 -6.041 8.748) 10.631 2.242 ( 0.000 -6.426 2.049) 6.744 2.384 ( 0.000 -1.440 5.838) 6.013 2.392 ( 0.000 -1.710 3.847) 4.210 2.523 ( 0.000 5.530 2.143) 5.931 2.534 ( 0.000 6.071 6.908) 9.196 2.698 ( 0.000 0.505 2.131) 2.190 2.769 ( 0.000 -8.364 -0.421) 8.374 2.816 ( 0.000 8.117 5.231) 9.657 2.849 ( 0.000 -0.467 -2.456) 2.500 2.862 ( 0.000 0.864 6.560) 6.616 2.901 ( 0.000 4.287 12.933) 13.625 3.019 ( 0.000 -1.224 17.098) 17.142 3.028 ( 0.000 -5.832 -3.680) 6.896 3.076 ( 0.000 0.629 9.824) 9.844 3.118 ( 0.000 -2.123 2.139) 3.014 3.245 ( 0.000 2.462 -1.677) 2.979 3.264 ( 0.000 -1.568 9.808) 9.932 3.332 ( 0.000 1.203 13.443) 13.497 3.365 ( 0.000 -4.403 -6.444) 7.805 3.451 ( 0.000 1.319 6.884) 7.010 3.506 ( 0.000 -1.944 -2.164) 2.908 3.571 ( 0.000 1.291 3.167) 3.420 3.575 ( 0.000 0.447 1.434) 1.502 3.658 ( 0.000 -1.457 1.533) 2.115 3.680 ( 0.000 6.142 -10.420) 12.096 3.703 ( 0.000 -3.389 -0.732) 3.467 3.767 ( 0.000 0.846 1.023) 1.327 3.781 ( 0.000 -0.275 -3.887) 3.896 3.835 ( 0.000 -4.513 2.948) 5.391 3.878 ( 0.000 2.880 2.308) 3.691 3.969 ( 0.000 -6.590 -2.027) 6.895 4.020 ( 0.000 -1.633 -2.407) 2.909 4.050 ( 0.000 -4.301 -2.230) 4.845 4.115 ( 0.000 1.125 1.122) 1.588 4.119 ( 0.000 2.272 2.292) 3.227 4.229 ( 0.000 3.750 -1.731) 4.130 4.241 ( 0.000 2.429 -5.670) 6.168 4.312 ( 0.000 2.281 -5.695) 6.135 4.336 ( 0.000 1.292 -0.147) 1.301 4.402 ( 0.000 -1.214 3.657) 3.853 4.417 ( 0.000 -3.751 -3.761) 5.312 4.467 ( 0.000 2.575 -6.314) 6.819 4.503 ( 0.000 -0.888 1.762) 1.973 4.583 ( 0.000 5.121 -4.394) 6.748 4.628 ( 0.000 2.745 -1.554) 3.154 4.675 ( 0.000 -3.929 -5.789) 6.996 4.750 ( 0.000 -5.516 5.241) 7.609 4.796 ( 0.000 4.155 -0.817) 4.234 4.864 ( 0.000 5.768 0.434) 5.784 4.888 ( 0.000 -3.320 0.273) 3.331 4.929 ( 0.000 2.110 0.010) 2.110 4.981 ( 0.000 5.332 1.932) 5.671 4.993 ( 0.000 -1.929 5.983) 6.286 5.123 ( 0.000 -2.292 -6.249) 6.656 5.138 ( 0.000 0.587 1.208) 1.343 5.160 ( 0.000 -3.830 -6.826) 7.827 5.178 ( 0.000 -3.309 -3.448) 4.779 5.263 ( 0.000 2.142 3.565) 4.159 5.294 ( 0.000 -0.394 4.628) 4.645 5.394 ( 0.000 -0.173 -2.490) 2.496 5.400 ( 0.000 -0.641 0.326) 0.719 5.459 ( 0.000 3.244 2.558) 4.131 5.493 ( 0.000 1.133 3.260) 3.452 5.526 ( 0.000 -1.897 0.651) 2.005 5.558 ( 0.000 -3.024 0.134) 3.027 5.770 ( 0.000 4.749 -4.666) 6.658 5.807 ( 0.000 2.979 0.921) 3.118 5.835 ( 0.000 0.176 2.369) 2.376 5.878 ( 0.000 -4.520 -3.416) 5.666 6.010 ( 0.000 0.033 -3.280) 3.281 6.025 ( 0.000 -1.039 -1.912) 2.177 6.180 ( 0.000 3.076 0.249) 3.086 6.242 ( 0.000 -1.997 0.547) 2.070 6.294 ( 0.000 1.684 -0.840) 1.882 6.312 ( 0.000 -0.024 -0.116) 0.118 6.485 ( 0.000 0.329 2.465) 2.487 6.496 ( 0.000 -0.465 2.820) 2.858 6.650 ( 0.000 1.569 0.634) 1.693 6.666 ( 0.000 -0.398 -2.356) 2.389 6.701 ( 0.000 1.582 -1.927) 2.493 6.750 ( 0.000 -1.905 2.463) 3.114 6.765 ( 0.000 1.092 -2.224) 2.478 6.808 ( 0.000 -3.471 -2.740) 4.422 7.015 ( 0.000 3.322 4.255) 5.399 7.102 ( 0.000 0.472 3.128) 3.163 7.104 ( 0.000 -2.420 5.606) 6.106 7.140 ( 0.000 -5.523 4.767) 7.296 7.148 ( 0.000 3.759 1.051) 3.903 7.228 ( 0.000 -3.475 2.009) 4.014 7.245 ( 0.000 4.278 -2.338) 4.875 7.333 ( 0.000 -3.695 -0.886) 3.800 8.294 ( 0.000 2.972 2.804) 4.085 8.335 ( 0.000 -0.352 2.334) 2.360 8.415 ( 0.000 3.578 -0.639) 3.634 8.435 ( 0.000 2.344 0.326) 2.367 8.574 ( 0.000 0.219 2.610) 2.619 8.574 ( 0.000 0.115 3.032) 3.034 8.686 ( 0.000 -1.502 0.014) 1.502 8.713 ( 0.000 -3.374 0.243) 3.383 8.758 ( 0.000 2.020 -0.715) 2.142 8.816 ( 0.000 2.184 -2.285) 3.160 8.834 ( 0.000 -4.501 -0.804) 4.572 8.862 ( 0.000 -1.808 -1.462) 2.325 8.927 ( 0.000 1.968 -2.647) 3.298 8.927 ( 0.000 -0.374 0.549) 0.665 9.005 ( 0.000 -1.325 -3.215) 3.477 9.052 ( 0.000 -3.201 -3.432) 4.693 9.265 ( 0.000 2.133 -3.361) 3.980 9.290 ( 0.000 -0.198 -2.648) 2.656 9.341 ( 0.000 1.883 -3.244) 3.751 9.356 ( 0.000 0.570 0.302) 0.645 9.420 ( 0.000 2.135 -4.753) 5.211 9.475 ( 0.000 -2.537 -0.492) 2.584 9.535 ( 0.000 1.243 -2.336) 2.646 9.555 ( 0.000 -0.650 -1.518) 1.651 ======================= Grid point 86 (35/45) ======================= q-point: ( 0.25 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 0.468 -2.137 5.172) 5.616 1.747 ( -0.131 -0.075 4.396) 4.399 1.868 ( 7.774 4.783 1.712) 9.286 2.043 ( 4.907 -2.197 1.101) 5.489 2.160 ( 1.956 0.247 8.772) 8.991 2.246 ( -4.143 -1.753 3.284) 5.569 2.296 ( -2.627 -3.497 1.359) 4.580 2.374 ( -3.718 3.553 4.912) 7.111 2.468 ( -3.376 -1.524 6.564) 7.537 2.532 ( -0.408 1.554 8.326) 8.479 2.652 ( -3.137 1.875 2.507) 4.431 2.668 ( -4.851 5.238 8.174) 10.853 2.776 ( -0.961 0.972 0.805) 1.586 2.817 ( 2.338 -4.259 3.890) 6.224 2.919 ( -1.241 0.008 10.236) 10.311 2.925 ( -2.579 -0.181 10.780) 11.085 2.995 ( 0.318 -4.085 3.468) 5.368 3.050 ( -1.548 -2.226 2.780) 3.884 3.145 ( 5.912 2.235 10.298) 12.083 3.162 ( 1.428 2.062 -0.691) 2.602 3.206 ( 2.739 -5.344 2.550) 6.524 3.300 ( 1.340 0.427 -1.876) 2.344 3.356 ( -1.352 0.428 -0.058) 1.419 3.415 ( 3.391 0.811 7.088) 7.899 3.431 ( 0.045 -3.136 -2.712) 4.147 3.502 ( -0.743 -1.125 -0.484) 1.433 3.539 ( -0.943 4.130 1.362) 4.450 3.586 ( 2.755 6.399 7.147) 9.981 3.642 ( -0.982 0.426 1.839) 2.128 3.664 ( -1.729 -0.751 -4.108) 4.519 3.762 ( 6.417 -2.141 0.165) 6.766 3.798 ( 0.765 -5.948 -1.641) 6.217 3.829 ( 3.140 -2.150 2.305) 4.449 3.852 ( -2.293 -0.770 3.839) 4.538 3.890 ( 3.247 3.606 -1.616) 5.115 4.015 ( 4.085 -0.355 -5.029) 6.489 4.037 ( 0.163 -1.508 -1.757) 2.321 4.041 ( -0.837 1.554 -1.410) 2.259 4.091 ( -5.466 0.588 1.556) 5.713 4.114 ( -0.545 -2.442 -0.514) 2.554 4.173 ( 0.406 0.050 3.413) 3.438 4.245 ( 2.188 1.528 -4.484) 5.218 4.294 ( -2.732 0.984 -0.358) 2.926 4.322 ( -2.718 1.638 -4.537) 5.537 4.396 ( 0.498 1.160 -0.018) 1.263 4.431 ( 1.437 -5.036 -0.935) 5.320 4.459 ( -3.654 5.183 0.704) 6.380 4.533 ( -0.113 3.729 -2.495) 4.488 4.558 ( 3.260 2.968 0.899) 4.499 4.610 ( -1.738 -3.436 -4.566) 5.973 4.647 ( -2.560 -3.908 -1.831) 5.017 4.733 ( -1.264 4.062 -2.518) 4.944 4.772 ( -3.539 4.113 -0.334) 5.437 4.803 ( -4.808 -0.228 -0.435) 4.833 4.852 ( 0.139 -4.872 6.035) 7.758 4.906 ( 0.938 -2.445 1.277) 2.913 4.933 ( -2.036 2.522 -0.877) 3.358 5.026 ( -3.912 1.096 -4.026) 5.719 5.071 ( 1.930 2.501 -3.995) 5.094 5.131 ( -0.674 -1.218 -7.311) 7.442 5.162 ( 0.247 -3.729 0.823) 3.826 5.203 ( -2.656 -0.817 -1.192) 3.024 5.292 ( 3.155 -0.502 0.398) 3.219 5.331 ( 0.100 -0.338 2.570) 2.594 5.400 ( 2.052 0.865 4.761) 5.256 5.447 ( 2.067 -0.114 2.631) 3.348 5.462 ( 3.058 0.427 0.193) 3.093 5.507 ( 2.175 0.750 -2.030) 3.068 5.576 ( 2.980 0.160 -1.502) 3.340 5.609 ( 3.419 -1.507 -0.914) 3.847 5.725 ( -3.108 1.810 -4.403) 5.685 5.790 ( -0.365 2.330 2.092) 3.152 5.833 ( -1.809 -0.253 0.815) 2.000 5.871 ( -2.164 -2.003 -0.280) 2.962 5.988 ( 1.764 -1.085 -2.430) 3.193 6.077 ( 0.985 0.158 -2.529) 2.719 6.170 ( 0.025 1.589 2.155) 2.678 6.224 ( -1.149 0.395 1.199) 1.707 6.301 ( 0.126 0.538 -0.808) 0.979 6.309 ( -0.121 0.702 -0.645) 0.961 6.483 ( -0.270 0.701 3.150) 3.239 6.493 ( -0.081 -0.718 2.736) 2.830 6.654 ( 0.295 1.744 0.329) 1.799 6.659 ( -0.001 -0.131 -1.071) 1.079 6.708 ( 0.504 -1.530 -0.315) 1.642 6.741 ( -1.117 -0.599 0.409) 1.332 6.801 ( 3.474 0.314 -2.018) 4.030 6.846 ( 2.025 -1.823 -4.361) 5.142 6.995 ( -1.158 3.039 4.157) 5.278 7.067 ( -3.073 -0.428 3.113) 4.395 7.114 ( 0.247 0.114 3.641) 3.651 7.148 ( 0.618 -0.531 3.500) 3.594 7.157 ( 1.027 -1.868 2.955) 3.643 7.194 ( -1.633 -0.532 0.976) 1.975 7.266 ( 0.908 0.543 -0.519) 1.179 7.321 ( -1.130 -3.062 -0.589) 3.317 8.313 ( 1.661 2.943 2.500) 4.204 8.350 ( 1.239 0.019 1.906) 2.273 8.404 ( -1.088 2.610 -0.023) 2.827 8.413 ( -1.658 2.682 0.568) 3.204 8.574 ( 0.310 0.403 2.594) 2.643 8.583 ( 0.273 0.421 2.989) 3.031 8.703 ( 1.364 -1.737 0.497) 2.264 8.735 ( 1.577 -2.621 -0.077) 3.060 8.767 ( 0.483 -0.192 0.013) 0.520 8.790 ( -1.585 -0.672 -0.491) 1.791 8.849 ( 0.521 0.101 -2.418) 2.476 8.878 ( 0.730 0.421 -3.931) 4.020 8.890 ( -0.350 1.209 -0.162) 1.269 8.958 ( 1.390 -1.789 -1.730) 2.851 8.992 ( -0.961 -2.341 -2.705) 3.705 9.067 ( 0.421 -2.498 -5.874) 6.397 9.229 ( -2.452 2.037 -0.855) 3.300 9.264 ( -2.545 -0.924 -1.539) 3.115 9.347 ( 0.621 0.569 -2.439) 2.580 9.367 ( 0.429 0.561 -1.115) 1.320 9.401 ( 0.061 1.256 -2.324) 2.643 9.467 ( -1.198 -0.370 -0.995) 1.600 9.538 ( 0.363 0.944 -2.256) 2.472 9.562 ( 0.177 0.300 -3.023) 3.043 ======================= Grid point 87 (36/45) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -2.427 -3.102 4.297) 5.829 1.714 ( 2.427 -3.102 4.297) 5.829 2.070 ( -9.262 3.103 0.601) 9.787 2.070 ( 9.262 3.103 0.601) 9.787 2.165 ( -4.916 -5.294 1.668) 7.415 2.165 ( 4.916 -5.294 1.668) 7.415 2.268 ( -4.245 6.448 8.887) 11.772 2.268 ( 4.245 6.448 8.887) 11.772 2.501 ( -3.338 -3.616 4.037) 6.365 2.501 ( 3.338 -3.616 4.037) 6.365 2.597 ( -1.055 5.171 10.098) 11.394 2.597 ( 1.055 5.171 10.098) 11.394 2.828 ( -4.080 -1.099 8.136) 9.168 2.828 ( 4.080 -1.099 8.136) 9.168 2.893 ( -3.700 -4.115 4.883) 7.380 2.893 ( 3.700 -4.115 4.883) 7.380 2.987 ( -1.461 -2.301 4.597) 5.344 2.987 ( 1.461 -2.301 4.597) 5.344 3.219 ( -3.081 2.675 -1.672) 4.409 3.219 ( 3.081 2.675 -1.672) 4.409 3.259 ( -2.181 0.924 1.646) 2.884 3.259 ( 2.181 0.924 1.646) 2.884 3.387 ( -3.867 -1.489 2.851) 5.030 3.387 ( 3.867 -1.489 2.851) 5.030 3.484 ( -2.018 0.094 1.451) 2.487 3.484 ( 2.018 0.094 1.451) 2.487 3.571 ( -3.527 -1.657 -5.943) 7.107 3.571 ( 3.527 -1.657 -5.943) 7.107 3.656 ( -4.278 -1.364 -0.359) 4.505 3.656 ( 4.278 -1.364 -0.359) 4.505 3.821 ( -7.322 5.096 13.476) 16.161 3.821 ( 7.322 5.096 13.476) 16.161 3.881 ( -1.851 -0.875 0.027) 2.047 3.881 ( 1.851 -0.875 0.027) 2.047 3.946 ( -2.600 1.721 4.325) 5.332 3.946 ( 2.600 1.721 4.325) 5.332 4.003 ( -0.140 0.759 -4.843) 4.904 4.003 ( 0.140 0.759 -4.843) 4.904 4.118 ( -0.399 -1.661 -4.757) 5.054 4.118 ( 0.399 -1.661 -4.757) 5.054 4.189 ( -3.125 -1.846 -0.221) 3.637 4.189 ( 3.125 -1.846 -0.221) 3.637 4.314 ( -4.550 3.275 -4.115) 6.954 4.314 ( 4.550 3.275 -4.115) 6.954 4.422 ( -5.271 1.103 -0.001) 5.385 4.422 ( 5.271 1.103 -0.001) 5.385 4.480 ( -5.855 0.078 0.544) 5.881 4.480 ( 5.855 0.078 0.544) 5.881 4.531 ( -4.580 -5.247 1.392) 7.103 4.531 ( 4.580 -5.247 1.392) 7.103 4.688 ( -3.399 3.669 0.827) 5.069 4.688 ( 3.399 3.669 0.827) 5.069 4.769 ( -3.198 1.638 -1.346) 3.836 4.769 ( 3.198 1.638 -1.346) 3.836 4.865 ( -1.911 -3.660 -1.809) 4.508 4.865 ( 1.911 -3.660 -1.809) 4.508 4.953 ( -2.385 3.202 -4.897) 6.318 4.953 ( 2.385 3.202 -4.897) 6.318 5.112 ( -1.872 -0.863 -4.540) 4.986 5.112 ( 1.872 -0.863 -4.540) 4.986 5.157 ( -0.167 -1.423 -0.972) 1.731 5.157 ( 0.167 -1.423 -0.972) 1.731 5.322 ( -0.410 -1.347 1.321) 1.931 5.322 ( 0.410 -1.347 1.321) 1.931 5.445 ( -1.043 1.100 5.195) 5.412 5.445 ( 1.043 1.100 5.195) 5.412 5.543 ( -0.962 -0.087 -1.549) 1.826 5.543 ( 0.962 -0.087 -1.549) 1.826 5.648 ( -3.243 0.493 -4.347) 5.446 5.648 ( 3.243 0.493 -4.347) 5.446 5.708 ( -6.071 1.027 -3.276) 6.975 5.708 ( 6.071 1.027 -3.276) 6.975 5.828 ( -1.472 -1.419 4.422) 4.871 5.828 ( 1.472 -1.419 4.422) 4.871 6.049 ( -2.966 -0.274 -1.981) 3.577 6.049 ( 2.966 -0.274 -1.981) 3.577 6.194 ( -1.624 0.831 2.504) 3.098 6.194 ( 1.624 0.831 2.504) 3.098 6.305 ( -0.272 1.019 -0.813) 1.331 6.305 ( 0.272 1.019 -0.813) 1.331 6.486 ( -0.484 0.370 3.166) 3.224 6.486 ( 0.484 0.370 3.166) 3.224 6.661 ( -0.208 1.133 -0.571) 1.286 6.661 ( 0.208 1.133 -0.571) 1.286 6.721 ( -0.713 -2.257 1.061) 2.594 6.721 ( 0.713 -2.257 1.061) 2.594 6.861 ( -1.173 -0.522 -4.660) 4.834 6.861 ( 1.173 -0.522 -4.660) 4.834 6.998 ( -2.119 2.305 3.771) 4.901 6.998 ( 2.119 2.305 3.771) 4.901 7.131 ( -1.365 -1.114 2.011) 2.674 7.131 ( 1.365 -1.114 2.011) 2.674 7.180 ( -0.542 -0.450 3.141) 3.219 7.180 ( 0.542 -0.450 3.141) 3.219 7.290 ( -1.433 -1.591 -0.259) 2.157 7.290 ( 1.433 -1.591 -0.259) 2.157 8.360 ( -2.356 2.672 1.810) 3.996 8.360 ( 2.356 2.672 1.810) 3.996 8.382 ( -1.384 1.346 0.693) 2.051 8.382 ( 1.384 1.346 0.693) 2.051 8.582 ( -0.314 0.612 2.768) 2.852 8.582 ( 0.314 0.612 2.768) 2.852 8.739 ( -1.698 -1.896 0.536) 2.601 8.739 ( 1.698 -1.896 0.536) 2.601 8.771 ( -0.624 -1.650 0.511) 1.837 8.771 ( 0.624 -1.650 0.511) 1.837 8.858 ( -0.655 1.862 -3.073) 3.652 8.858 ( 0.655 1.862 -3.073) 3.652 8.945 ( -2.569 0.636 -2.792) 3.847 8.945 ( 2.569 0.636 -2.792) 3.847 9.024 ( -3.651 -3.906 -5.161) 7.431 9.024 ( 3.651 -3.906 -5.161) 7.431 9.213 ( -1.443 -0.256 0.764) 1.653 9.213 ( 1.443 -0.256 0.764) 1.653 9.363 ( -0.655 0.154 -2.027) 2.136 9.363 ( 0.655 0.154 -2.027) 2.136 9.429 ( -1.956 1.049 -1.202) 2.524 9.429 ( 1.956 1.049 -1.202) 2.524 9.553 ( -0.815 0.937 -3.058) 3.301 9.553 ( 0.815 0.937 -3.058) 3.301 ======================= Grid point 100 (37/45) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 0.000 0.000 7.871) 7.871 1.720 ( 0.000 0.000 -5.091) 5.091 2.138 ( 0.000 0.000 17.493) 17.493 2.207 ( 0.000 0.000 7.401) 7.401 2.265 ( 0.000 0.000 4.865) 4.865 2.380 ( 0.000 0.000 -5.772) 5.772 2.391 ( 0.000 0.000 -6.785) 6.785 2.427 ( 0.000 0.000 -7.600) 7.600 2.529 ( 0.000 0.000 1.767) 1.767 2.547 ( 0.000 0.000 -0.226) 0.226 2.636 ( 0.000 0.000 11.414) 11.414 2.744 ( 0.000 0.000 -1.710) 1.710 2.766 ( 0.000 0.000 -3.634) 3.634 2.812 ( 0.000 0.000 6.652) 6.652 2.854 ( 0.000 0.000 -8.667) 8.667 2.890 ( 0.000 0.000 3.784) 3.784 3.072 ( 0.000 0.000 11.492) 11.492 3.110 ( 0.000 0.000 -2.774) 2.774 3.153 ( 0.000 0.000 -3.253) 3.253 3.295 ( 0.000 0.000 -11.058) 11.058 3.383 ( 0.000 0.000 -1.242) 1.242 3.400 ( 0.000 0.000 9.455) 9.455 3.405 ( 0.000 0.000 -2.522) 2.522 3.513 ( 0.000 0.000 17.463) 17.463 3.532 ( 0.000 0.000 2.483) 2.483 3.535 ( 0.000 0.000 3.479) 3.479 3.558 ( 0.000 0.000 3.576) 3.576 3.591 ( 0.000 0.000 -7.143) 7.143 3.688 ( 0.000 0.000 3.405) 3.405 3.776 ( 0.000 0.000 -2.999) 2.999 3.782 ( 0.000 0.000 -3.193) 3.193 3.810 ( 0.000 0.000 -5.244) 5.244 3.814 ( 0.000 0.000 9.679) 9.679 3.901 ( 0.000 0.000 7.478) 7.478 3.946 ( 0.000 0.000 2.036) 2.036 4.015 ( 0.000 0.000 7.778) 7.778 4.021 ( 0.000 0.000 5.016) 5.016 4.035 ( 0.000 0.000 4.720) 4.720 4.093 ( 0.000 0.000 -1.985) 1.985 4.176 ( 0.000 0.000 -9.170) 9.170 4.179 ( 0.000 0.000 -7.350) 7.350 4.197 ( 0.000 0.000 -3.074) 3.074 4.247 ( 0.000 0.000 0.329) 0.329 4.260 ( 0.000 0.000 -0.679) 0.679 4.306 ( 0.000 0.000 -4.142) 4.142 4.368 ( 0.000 0.000 -10.931) 10.931 4.402 ( 0.000 0.000 1.574) 1.574 4.409 ( 0.000 0.000 6.199) 6.199 4.453 ( 0.000 0.000 -2.765) 2.765 4.494 ( 0.000 0.000 -1.526) 1.526 4.692 ( 0.000 0.000 7.706) 7.706 4.756 ( 0.000 0.000 6.205) 6.205 4.824 ( 0.000 0.000 -9.930) 9.930 4.876 ( 0.000 0.000 -6.496) 6.496 4.887 ( 0.000 0.000 4.233) 4.233 4.953 ( 0.000 0.000 11.655) 11.655 4.990 ( 0.000 0.000 1.591) 1.591 5.041 ( 0.000 0.000 0.084) 0.084 5.065 ( 0.000 0.000 -11.169) 11.169 5.086 ( 0.000 0.000 -0.289) 0.289 5.101 ( 0.000 0.000 1.914) 1.914 5.177 ( 0.000 0.000 -10.347) 10.347 5.293 ( 0.000 0.000 -0.355) 0.355 5.309 ( 0.000 0.000 -1.775) 1.775 5.319 ( 0.000 0.000 3.423) 3.423 5.356 ( 0.000 0.000 1.682) 1.682 5.459 ( 0.000 0.000 5.142) 5.142 5.522 ( 0.000 0.000 0.761) 0.761 5.582 ( 0.000 0.000 -2.856) 2.856 5.599 ( 0.000 0.000 -4.320) 4.320 5.633 ( 0.000 0.000 -0.149) 0.149 5.636 ( 0.000 0.000 -0.266) 0.266 5.866 ( 0.000 0.000 2.105) 2.105 5.926 ( 0.000 0.000 -4.076) 4.076 5.974 ( 0.000 0.000 2.627) 2.627 6.038 ( 0.000 0.000 -1.421) 1.421 6.104 ( 0.000 0.000 1.552) 1.552 6.175 ( 0.000 0.000 -3.902) 3.902 6.280 ( 0.000 0.000 0.745) 0.745 6.290 ( 0.000 0.000 -0.391) 0.391 6.532 ( 0.000 0.000 3.406) 3.406 6.549 ( 0.000 0.000 2.198) 2.198 6.594 ( 0.000 0.000 -2.253) 2.253 6.602 ( 0.000 0.000 -3.767) 3.767 6.659 ( 0.000 0.000 2.744) 2.744 6.712 ( 0.000 0.000 -2.415) 2.415 6.924 ( 0.000 0.000 0.270) 0.270 6.939 ( 0.000 0.000 2.561) 2.561 6.944 ( 0.000 0.000 -1.957) 1.957 6.983 ( 0.000 0.000 -1.479) 1.479 7.107 ( 0.000 0.000 2.099) 2.099 7.125 ( 0.000 0.000 -0.159) 0.159 7.306 ( 0.000 0.000 4.421) 4.421 7.349 ( 0.000 0.000 -0.071) 0.071 7.395 ( 0.000 0.000 2.524) 2.524 7.436 ( 0.000 0.000 -1.253) 1.253 8.258 ( 0.000 0.000 2.286) 2.286 8.289 ( 0.000 0.000 -0.979) 0.979 8.328 ( 0.000 0.000 1.579) 1.579 8.345 ( 0.000 0.000 -0.032) 0.032 8.598 ( 0.000 0.000 2.449) 2.449 8.619 ( 0.000 0.000 3.013) 3.013 8.650 ( 0.000 0.000 -2.875) 2.875 8.668 ( 0.000 0.000 -1.901) 1.901 8.771 ( 0.000 0.000 -0.509) 0.509 8.775 ( 0.000 0.000 -1.173) 1.173 8.877 ( 0.000 0.000 3.212) 3.212 8.957 ( 0.000 0.000 -4.860) 4.860 8.990 ( 0.000 0.000 2.905) 2.905 9.053 ( 0.000 0.000 2.413) 2.413 9.057 ( 0.000 0.000 -4.046) 4.046 9.084 ( 0.000 0.000 -1.214) 1.214 9.114 ( 0.000 0.000 0.390) 0.390 9.148 ( 0.000 0.000 -3.148) 3.148 9.229 ( 0.000 0.000 -0.035) 0.035 9.277 ( 0.000 0.000 -4.708) 4.708 9.370 ( 0.000 0.000 2.782) 2.782 9.424 ( 0.000 0.000 -2.611) 2.611 9.568 ( 0.000 0.000 0.969) 0.969 9.574 ( 0.000 0.000 0.225) 0.225 ======================= Grid point 101 (38/45) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 10.871 0.000 7.119) 12.994 1.832 ( 9.349 0.000 -3.944) 10.147 2.162 ( 0.710 0.000 11.779) 11.800 2.179 ( -2.896 0.000 4.820) 5.623 2.315 ( 3.209 0.000 5.765) 6.598 2.316 ( -1.666 0.000 -2.725) 3.194 2.396 ( -2.201 0.000 -2.015) 2.985 2.467 ( -3.672 0.000 0.379) 3.692 2.515 ( 5.395 0.000 -3.986) 6.708 2.526 ( -1.882 0.000 3.884) 4.316 2.552 ( -9.784 0.000 4.617) 10.819 2.657 ( 1.478 0.000 8.508) 8.635 2.717 ( -2.844 0.000 -3.927) 4.849 2.848 ( -3.937 0.000 2.964) 4.928 2.855 ( 0.475 0.000 -8.750) 8.763 2.891 ( 0.788 0.000 -1.530) 1.721 3.099 ( -0.598 0.000 2.282) 2.359 3.121 ( 4.225 0.000 4.332) 6.051 3.179 ( 2.417 0.000 -4.281) 4.916 3.214 ( -5.789 0.000 -5.262) 7.823 3.385 ( 0.102 0.000 1.152) 1.157 3.391 ( 1.986 0.000 2.763) 3.403 3.452 ( 2.878 0.000 0.824) 2.993 3.474 ( -0.367 0.000 12.763) 12.768 3.550 ( -4.150 0.000 -3.697) 5.558 3.567 ( 1.477 0.000 4.998) 5.212 3.610 ( 1.682 0.000 1.828) 2.484 3.648 ( 2.568 0.000 0.743) 2.673 3.672 ( 0.729 0.000 1.858) 1.996 3.700 ( -3.163 0.000 -3.570) 4.770 3.723 ( -4.172 0.000 -0.215) 4.177 3.796 ( 1.970 0.000 -4.362) 4.786 3.875 ( 5.930 0.000 11.275) 12.739 3.892 ( -0.612 0.000 -1.639) 1.750 3.935 ( -1.730 0.000 5.870) 6.120 3.963 ( -1.929 0.000 4.093) 4.525 3.998 ( -5.971 0.000 -3.698) 7.024 4.031 ( 0.122 0.000 1.872) 1.876 4.133 ( -0.069 0.000 -5.137) 5.137 4.171 ( 7.857 0.000 2.200) 8.159 4.215 ( 0.293 0.000 7.455) 7.461 4.246 ( -2.544 0.000 -7.900) 8.299 4.278 ( 2.582 0.000 -1.389) 2.931 4.325 ( 4.882 0.000 -2.588) 5.525 4.342 ( 5.853 0.000 0.187) 5.856 4.390 ( 0.663 0.000 7.919) 7.947 4.406 ( 2.469 0.000 -5.108) 5.673 4.496 ( 7.745 0.000 -3.157) 8.364 4.499 ( 1.774 0.000 1.115) 2.095 4.533 ( 0.732 0.000 -1.917) 2.052 4.540 ( -9.506 0.000 10.025) 13.815 4.643 ( -4.683 0.000 1.240) 4.844 4.708 ( -9.063 0.000 -7.886) 12.013 4.775 ( -8.062 0.000 -10.539) 13.269 4.818 ( -5.232 0.000 9.501) 10.847 4.915 ( -4.012 0.000 -1.550) 4.301 4.935 ( -0.946 0.000 -2.460) 2.636 5.006 ( -4.022 0.000 -7.239) 8.281 5.057 ( 0.198 0.000 2.209) 2.218 5.109 ( -4.634 0.000 -3.930) 6.076 5.170 ( 2.675 0.000 -0.013) 2.675 5.217 ( 4.007 0.000 -4.449) 5.988 5.233 ( 1.709 0.000 6.407) 6.631 5.314 ( 1.964 0.000 -3.076) 3.649 5.447 ( 4.872 0.000 2.191) 5.342 5.461 ( 4.731 0.000 0.183) 4.734 5.475 ( 1.691 0.000 2.400) 2.936 5.500 ( 0.075 0.000 1.260) 1.262 5.567 ( -0.767 0.000 -2.514) 2.628 5.596 ( 0.607 0.000 -4.860) 4.897 5.630 ( -0.924 0.000 -0.962) 1.334 5.633 ( -0.592 0.000 -0.783) 0.981 5.906 ( 2.659 0.000 3.812) 4.647 5.971 ( -0.317 0.000 4.097) 4.109 5.972 ( 3.346 0.000 -3.141) 4.589 6.052 ( 0.402 0.000 -3.341) 3.365 6.125 ( 2.252 0.000 2.911) 3.680 6.184 ( 1.121 0.000 -2.288) 2.548 6.252 ( -2.323 0.000 1.173) 2.603 6.275 ( -1.496 0.000 -1.226) 1.934 6.527 ( 0.370 0.000 2.834) 2.858 6.578 ( -0.067 0.000 -2.370) 2.371 6.578 ( 0.058 0.000 3.248) 3.249 6.634 ( -0.188 0.000 -2.226) 2.234 6.668 ( 2.684 0.000 0.772) 2.793 6.710 ( 1.895 0.000 -3.283) 3.790 6.882 ( -3.731 0.000 -0.260) 3.740 6.904 ( -3.550 0.000 -2.358) 4.261 6.962 ( 1.897 0.000 2.872) 3.442 7.003 ( 1.644 0.000 -1.274) 2.079 7.074 ( -2.572 0.000 2.439) 3.544 7.097 ( -2.177 0.000 -0.236) 2.190 7.329 ( 1.903 0.000 3.320) 3.827 7.356 ( 0.606 0.000 0.435) 0.746 7.389 ( -0.522 0.000 2.185) 2.246 7.420 ( -1.456 0.000 -0.496) 1.539 8.270 ( 1.076 0.000 1.923) 2.204 8.294 ( 0.459 0.000 -0.633) 0.782 8.322 ( -0.518 0.000 1.177) 1.286 8.332 ( -1.142 0.000 0.262) 1.172 8.595 ( -0.028 0.000 2.606) 2.606 8.613 ( -0.491 0.000 3.050) 3.089 8.650 ( 0.139 0.000 -2.896) 2.899 8.667 ( -0.211 0.000 -2.424) 2.433 8.798 ( 2.033 0.000 -0.450) 2.082 8.805 ( 2.859 0.000 -0.963) 3.017 8.874 ( -0.356 0.000 2.462) 2.488 8.937 ( -1.846 0.000 -3.878) 4.295 8.978 ( -0.797 0.000 2.902) 3.010 9.008 ( -2.578 0.000 2.400) 3.522 9.049 ( -0.419 0.000 -4.458) 4.478 9.066 ( -1.110 0.000 -3.628) 3.794 9.178 ( 4.057 0.000 0.809) 4.136 9.204 ( 3.901 0.000 -2.141) 4.450 9.247 ( 1.156 0.000 0.271) 1.187 9.288 ( 0.550 0.000 -3.537) 3.580 9.372 ( 0.697 0.000 2.517) 2.611 9.423 ( 0.176 0.000 -2.411) 2.417 9.530 ( -3.838 0.000 0.533) 3.875 9.531 ( -3.165 0.000 0.514) 3.207 ======================= Grid point 102 (39/45) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -12.357 0.000 5.294) 13.443 2.013 ( 12.357 0.000 5.294) 13.443 2.061 ( -9.738 0.000 -0.560) 9.754 2.061 ( 9.738 0.000 -0.560) 9.754 2.353 ( -4.618 0.000 3.847) 6.010 2.353 ( 4.618 0.000 3.847) 6.010 2.356 ( -1.943 0.000 3.123) 3.678 2.356 ( 1.943 0.000 3.123) 3.678 2.472 ( -2.544 0.000 7.138) 7.578 2.472 ( 2.544 0.000 7.138) 7.578 2.639 ( -3.995 0.000 -8.090) 9.023 2.639 ( 3.995 0.000 -8.090) 9.023 2.737 ( -4.898 0.000 7.997) 9.378 2.737 ( 4.898 0.000 7.997) 9.378 2.874 ( -1.277 0.000 -5.590) 5.734 2.874 ( 1.277 0.000 -5.590) 5.734 3.114 ( -2.608 0.000 2.014) 3.295 3.114 ( 2.608 0.000 2.014) 3.295 3.203 ( -1.858 0.000 -5.676) 5.973 3.203 ( 1.858 0.000 -5.676) 5.973 3.421 ( -4.009 0.000 4.872) 6.310 3.421 ( 4.009 0.000 4.872) 6.310 3.472 ( -4.140 0.000 -0.987) 4.256 3.472 ( 4.140 0.000 -0.987) 4.256 3.541 ( -4.177 0.000 4.254) 5.962 3.541 ( 4.177 0.000 4.254) 5.962 3.562 ( -3.754 0.000 4.366) 5.758 3.562 ( 3.754 0.000 4.366) 5.758 3.739 ( -3.878 0.000 -3.747) 5.392 3.739 ( 3.878 0.000 -3.747) 5.392 3.784 ( -5.638 0.000 -4.246) 7.058 3.784 ( 5.638 0.000 -4.246) 7.058 3.870 ( -4.008 0.000 2.062) 4.507 3.870 ( 4.008 0.000 2.062) 4.507 3.911 ( -1.782 0.000 -2.530) 3.095 3.911 ( 1.782 0.000 -2.530) 3.095 4.041 ( -7.175 0.000 13.009) 14.857 4.041 ( 7.175 0.000 13.009) 14.857 4.136 ( -5.914 0.000 -1.026) 6.003 4.136 ( 5.914 0.000 -1.026) 6.003 4.269 ( -5.376 0.000 5.436) 7.645 4.269 ( 5.376 0.000 5.436) 7.645 4.373 ( -4.591 0.000 3.522) 5.786 4.373 ( 4.591 0.000 3.522) 5.786 4.378 ( -9.640 0.000 1.985) 9.842 4.378 ( 9.640 0.000 1.985) 9.842 4.463 ( -5.602 0.000 -2.803) 6.265 4.463 ( 5.602 0.000 -2.803) 6.265 4.501 ( -4.164 0.000 -1.651) 4.479 4.501 ( 4.164 0.000 -1.651) 4.479 4.566 ( -4.832 0.000 -12.546) 13.444 4.566 ( 4.832 0.000 -12.546) 13.444 4.665 ( -8.894 0.000 7.672) 11.746 4.665 ( 8.894 0.000 7.672) 11.746 4.787 ( -9.644 0.000 -4.022) 10.449 4.787 ( 9.644 0.000 -4.022) 10.449 4.983 ( -5.374 0.000 -2.756) 6.040 4.983 ( 5.374 0.000 -2.756) 6.040 4.993 ( -4.569 0.000 -4.442) 6.372 4.993 ( 4.569 0.000 -4.442) 6.372 5.237 ( -2.313 0.000 3.599) 4.278 5.237 ( 2.313 0.000 3.599) 4.278 5.302 ( -2.929 0.000 -3.360) 4.457 5.302 ( 2.929 0.000 -3.360) 4.457 5.505 ( -1.066 0.000 -0.023) 1.066 5.505 ( 1.066 0.000 -0.023) 1.066 5.510 ( -1.256 0.000 0.535) 1.366 5.510 ( 1.256 0.000 0.535) 1.366 5.592 ( -2.474 0.000 -0.832) 2.610 5.592 ( 2.474 0.000 -0.832) 2.610 5.617 ( -0.940 0.000 -2.237) 2.427 5.617 ( 0.940 0.000 -2.237) 2.427 5.953 ( -1.472 0.000 5.113) 5.321 5.953 ( 1.472 0.000 5.113) 5.321 6.034 ( -2.002 0.000 -3.165) 3.745 6.034 ( 2.002 0.000 -3.165) 3.745 6.190 ( -3.185 0.000 2.250) 3.900 6.190 ( 3.185 0.000 2.250) 3.900 6.228 ( -2.532 0.000 -1.328) 2.859 6.228 ( 2.532 0.000 -1.328) 2.859 6.549 ( -1.581 0.000 2.931) 3.331 6.549 ( 1.581 0.000 2.931) 3.331 6.597 ( -1.777 0.000 -1.963) 2.648 6.597 ( 1.777 0.000 -1.963) 2.648 6.774 ( -5.707 0.000 -0.504) 5.729 6.774 ( 5.707 0.000 -0.504) 5.729 6.803 ( -5.250 0.000 -3.084) 6.088 6.803 ( 5.250 0.000 -3.084) 6.088 7.014 ( -2.735 0.000 2.798) 3.913 7.014 ( 2.735 0.000 2.798) 3.913 7.047 ( -2.277 0.000 -0.705) 2.383 7.047 ( 2.277 0.000 -0.705) 2.383 7.373 ( -0.881 0.000 1.388) 1.644 7.373 ( 0.881 0.000 1.388) 1.644 7.377 ( -2.288 0.000 1.290) 2.627 7.377 ( 2.288 0.000 1.290) 2.627 8.300 ( -1.598 0.000 1.067) 1.921 8.300 ( 1.598 0.000 1.067) 1.921 8.308 ( -0.703 0.000 0.241) 0.743 8.308 ( 0.703 0.000 0.241) 0.743 8.601 ( -0.506 0.000 2.906) 2.949 8.601 ( 0.506 0.000 2.906) 2.949 8.658 ( -0.528 0.000 -2.863) 2.911 8.658 ( 0.528 0.000 -2.863) 2.911 8.849 ( -2.117 0.000 0.784) 2.258 8.849 ( 2.117 0.000 0.784) 2.258 8.878 ( -3.406 0.000 -2.145) 4.025 8.878 ( 3.406 0.000 -2.145) 4.025 8.971 ( -0.499 0.000 2.974) 3.016 8.971 ( 0.499 0.000 2.974) 3.016 9.048 ( -0.408 0.000 -4.974) 4.991 9.048 ( 0.408 0.000 -4.974) 4.991 9.248 ( -1.686 0.000 0.645) 1.805 9.248 ( 1.686 0.000 0.645) 1.805 9.274 ( -2.047 0.000 -2.024) 2.879 9.274 ( 2.047 0.000 -2.024) 2.879 9.430 ( -4.480 0.000 1.336) 4.675 9.430 ( 4.480 0.000 1.336) 4.675 9.455 ( -3.004 0.000 -1.006) 3.168 9.455 ( 3.004 0.000 -1.006) 3.168 ======================= Grid point 105 (40/45) ======================= q-point: ( 0.00 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 0.000 4.480 4.623) 6.438 1.716 ( 0.000 -0.129 -2.525) 2.528 2.068 ( 0.000 -8.171 10.228) 13.091 2.117 ( 0.000 -5.937 5.486) 8.083 2.294 ( 0.000 2.577 5.180) 5.785 2.335 ( 0.000 -2.648 -0.300) 2.665 2.406 ( 0.000 -0.265 -4.102) 4.111 2.416 ( 0.000 1.916 -5.931) 6.233 2.526 ( 0.000 0.242 3.765) 3.773 2.581 ( 0.000 3.347 -1.324) 3.600 2.649 ( 0.000 0.966 10.820) 10.863 2.792 ( 0.000 3.152 -1.576) 3.524 2.806 ( 0.000 4.111 -0.313) 4.123 2.852 ( 0.000 0.485 -8.246) 8.260 2.896 ( 0.000 5.677 7.675) 9.547 2.934 ( 0.000 1.333 0.967) 1.647 3.065 ( 0.000 -0.954 2.754) 2.915 3.074 ( 0.000 0.003 5.377) 5.377 3.177 ( 0.000 0.557 -3.486) 3.530 3.209 ( 0.000 -6.758 -6.326) 9.257 3.257 ( 0.000 -6.389 0.384) 6.400 3.351 ( 0.000 -2.609 -7.757) 8.184 3.425 ( 0.000 2.832 8.394) 8.859 3.534 ( 0.000 -0.312 7.359) 7.366 3.578 ( 0.000 2.479 2.823) 3.756 3.589 ( 0.000 -0.995 4.027) 4.148 3.616 ( 0.000 1.992 -8.605) 8.832 3.619 ( 0.000 4.235 9.861) 10.732 3.694 ( 0.000 -7.664 2.569) 8.083 3.702 ( 0.000 -0.624 7.192) 7.219 3.769 ( 0.000 -0.921 5.852) 5.924 3.780 ( 0.000 -5.627 3.536) 6.646 3.802 ( 0.000 -2.003 -0.841) 2.173 3.827 ( 0.000 -0.276 -6.191) 6.198 3.893 ( 0.000 -1.977 2.297) 3.031 3.992 ( 0.000 -6.140 -9.748) 11.520 4.014 ( 0.000 5.387 5.194) 7.484 4.059 ( 0.000 0.099 4.908) 4.909 4.078 ( 0.000 0.310 3.176) 3.191 4.106 ( 0.000 -5.022 -0.618) 5.059 4.147 ( 0.000 -0.621 -7.037) 7.064 4.258 ( 0.000 4.921 6.248) 7.953 4.264 ( 0.000 -0.706 0.771) 1.045 4.274 ( 0.000 0.274 -1.321) 1.349 4.292 ( 0.000 3.995 -13.041) 13.639 4.413 ( 0.000 0.945 2.287) 2.475 4.413 ( 0.000 -0.348 1.903) 1.935 4.462 ( 0.000 5.034 -5.820) 7.695 4.492 ( 0.000 1.965 -4.874) 5.255 4.499 ( 0.000 -1.732 -0.074) 1.734 4.736 ( 0.000 2.984 3.221) 4.391 4.763 ( 0.000 -0.501 6.701) 6.720 4.771 ( 0.000 0.519 -1.971) 2.038 4.875 ( 0.000 -0.506 -4.729) 4.756 4.878 ( 0.000 -1.075 1.281) 1.673 4.932 ( 0.000 1.733 -7.962) 8.148 4.957 ( 0.000 -2.642 1.825) 3.211 4.998 ( 0.000 -3.728 0.667) 3.788 5.083 ( 0.000 -0.065 0.839) 0.842 5.107 ( 0.000 0.405 0.251) 0.476 5.172 ( 0.000 4.035 0.211) 4.040 5.241 ( 0.000 3.529 -3.336) 4.856 5.251 ( 0.000 -5.026 5.048) 7.123 5.314 ( 0.000 3.331 0.192) 3.336 5.345 ( 0.000 -1.723 -1.814) 2.502 5.354 ( 0.000 4.443 -2.293) 4.999 5.471 ( 0.000 1.016 5.449) 5.543 5.521 ( 0.000 -0.311 1.370) 1.405 5.566 ( 0.000 -0.362 -0.586) 0.689 5.618 ( 0.000 -1.063 1.038) 1.485 5.647 ( 0.000 0.670 -1.865) 1.981 5.654 ( 0.000 3.360 -6.653) 7.453 5.873 ( 0.000 0.609 2.488) 2.561 5.934 ( 0.000 0.545 -3.884) 3.922 5.954 ( 0.000 -1.781 3.038) 3.522 6.020 ( 0.000 -1.569 -2.462) 2.919 6.137 ( 0.000 2.809 2.395) 3.691 6.202 ( 0.000 2.298 -3.424) 4.124 6.274 ( 0.000 -0.492 0.844) 0.977 6.294 ( 0.000 0.121 -1.029) 1.036 6.532 ( 0.000 0.147 3.293) 3.296 6.556 ( 0.000 0.573 2.917) 2.972 6.602 ( 0.000 0.051 -3.780) 3.780 6.610 ( 0.000 1.199 -2.143) 2.456 6.663 ( 0.000 0.422 1.697) 1.749 6.708 ( 0.000 -0.232 -2.457) 2.467 6.842 ( 0.000 -3.991 0.613) 4.038 6.857 ( 0.000 -4.343 -1.101) 4.481 7.031 ( 0.000 3.309 1.876) 3.804 7.061 ( 0.000 4.902 -0.691) 4.950 7.114 ( 0.000 1.267 1.750) 2.161 7.138 ( 0.000 1.065 -0.980) 1.448 7.268 ( 0.000 -3.099 3.903) 4.984 7.305 ( 0.000 -3.954 -0.113) 3.956 7.355 ( 0.000 -3.306 3.029) 4.484 7.400 ( 0.000 -3.206 -1.300) 3.460 8.285 ( 0.000 2.418 2.414) 3.417 8.321 ( 0.000 2.748 -1.205) 3.001 8.353 ( 0.000 1.984 1.864) 2.722 8.376 ( 0.000 2.524 -0.316) 2.544 8.614 ( 0.000 1.279 3.142) 3.392 8.630 ( 0.000 0.862 3.408) 3.515 8.683 ( 0.000 2.288 -3.886) 4.510 8.689 ( 0.000 1.654 -2.321) 2.850 8.737 ( 0.000 -2.306 0.251) 2.320 8.759 ( 0.000 -1.206 -1.907) 2.256 8.850 ( 0.000 -1.878 1.971) 2.722 8.901 ( 0.000 -4.028 -3.206) 5.148 8.957 ( 0.000 -2.497 2.580) 3.590 9.012 ( 0.000 -3.032 2.647) 4.025 9.012 ( 0.000 -2.987 -3.058) 4.275 9.061 ( 0.000 -2.422 -2.360) 3.382 9.167 ( 0.000 3.293 -0.127) 3.295 9.200 ( 0.000 3.611 -3.335) 4.915 9.247 ( 0.000 1.236 -0.084) 1.239 9.286 ( 0.000 0.827 -4.060) 4.144 9.384 ( 0.000 1.327 3.236) 3.498 9.446 ( 0.000 1.663 -3.041) 3.466 9.547 ( 0.000 -1.850 1.164) 2.185 9.561 ( 0.000 -1.202 -0.348) 1.252 ======================= Grid point 106 (41/45) ======================= q-point: ( 0.25 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 8.173 1.551 4.352) 9.389 1.810 ( 7.936 -1.377 -1.708) 8.234 2.050 ( -2.030 -8.155 8.126) 11.690 2.133 ( 0.092 -5.707 1.122) 5.817 2.288 ( -0.627 -0.462 1.832) 1.990 2.307 ( -0.360 -0.468 1.843) 1.936 2.384 ( -2.706 -1.029 2.542) 3.853 2.433 ( -2.050 -2.226 -0.281) 3.039 2.512 ( -0.375 1.599 2.431) 2.934 2.576 ( 1.322 4.641 0.095) 4.826 2.625 ( -4.886 4.608 3.609) 7.625 2.700 ( 0.753 3.836 10.207) 10.930 2.757 ( -3.224 3.357 -2.693) 5.377 2.864 ( 0.018 1.396 -6.123) 6.280 2.925 ( 0.317 2.720 -0.726) 2.833 2.943 ( -0.978 5.323 -0.903) 5.487 3.087 ( 1.154 0.033 3.282) 3.479 3.117 ( 0.470 -1.759 -0.614) 1.922 3.165 ( -0.437 -2.604 -0.494) 2.686 3.181 ( 2.744 -0.020 3.425) 4.389 3.317 ( 2.385 -5.608 -5.199) 8.010 3.348 ( -0.596 -3.750 -4.732) 6.067 3.402 ( -0.645 -1.451 6.930) 7.110 3.503 ( -3.289 1.466 2.130) 4.183 3.525 ( -3.098 -3.375 5.874) 7.450 3.583 ( -1.651 -1.349 5.144) 5.569 3.610 ( 0.187 -1.017 -1.072) 1.490 3.650 ( -0.425 -3.601 0.781) 3.709 3.687 ( 2.102 -0.514 1.953) 2.915 3.707 ( -3.103 2.179 0.709) 3.857 3.735 ( 4.006 1.568 1.520) 4.562 3.804 ( 2.437 1.340 -5.637) 6.285 3.843 ( 0.954 0.717 -0.766) 1.418 3.890 ( 0.849 -1.103 4.815) 5.012 3.908 ( 2.973 -2.622 4.729) 6.171 3.924 ( -1.861 -1.384 2.746) 3.594 3.988 ( 0.873 -0.717 -3.203) 3.397 4.058 ( 0.852 -0.428 3.546) 3.672 4.103 ( 1.568 -5.074 -2.596) 5.911 4.124 ( -1.719 4.523 0.115) 4.840 4.222 ( 1.121 0.075 -2.198) 2.469 4.240 ( -1.589 -1.094 4.652) 5.036 4.284 ( 1.646 -0.087 3.318) 3.705 4.332 ( 0.318 1.447 -0.352) 1.523 4.351 ( 2.970 -0.616 -3.189) 4.402 4.374 ( 0.986 1.288 -5.828) 6.050 4.420 ( 6.254 -0.599 1.808) 6.537 4.507 ( 2.648 0.247 0.661) 2.741 4.509 ( 3.744 1.353 -3.239) 5.132 4.552 ( -4.429 4.345 4.490) 7.658 4.612 ( -3.654 2.201 2.698) 5.047 4.666 ( -6.539 1.326 -1.498) 6.839 4.708 ( -1.952 0.390 -1.738) 2.643 4.788 ( -5.618 1.252 -6.910) 8.993 4.848 ( -4.782 1.334 -1.196) 5.107 4.866 ( -0.624 0.907 -1.270) 1.681 4.964 ( -8.272 -0.069 -0.926) 8.323 4.998 ( -0.453 -1.967 -2.220) 3.000 5.097 ( -2.924 -1.239 -1.702) 3.603 5.103 ( 0.079 -0.291 -0.805) 0.860 5.128 ( 3.540 -0.266 4.056) 5.390 5.211 ( -1.540 0.791 1.545) 2.321 5.286 ( 2.595 2.183 -1.549) 3.728 5.320 ( 0.472 0.455 -2.415) 2.502 5.429 ( 4.547 -1.030 0.133) 4.664 5.443 ( 4.838 -0.611 -0.537) 4.906 5.485 ( 1.289 1.275 4.291) 4.658 5.509 ( 0.205 0.779 1.792) 1.965 5.555 ( -0.242 -0.669 -1.923) 2.050 5.603 ( -1.101 0.110 -0.563) 1.242 5.637 ( -0.576 0.059 -2.463) 2.530 5.657 ( -0.717 2.113 -4.657) 5.164 5.908 ( 2.525 0.124 3.712) 4.491 5.946 ( 0.992 -1.364 1.416) 2.202 5.985 ( 2.005 -0.022 -0.185) 2.013 6.035 ( 0.622 -1.285 -2.985) 3.308 6.156 ( 1.794 2.518 2.658) 4.077 6.209 ( 0.860 2.075 -1.965) 2.984 6.256 ( -1.526 0.295 0.809) 1.752 6.281 ( -1.181 0.504 -1.317) 1.840 6.534 ( 0.282 0.714 3.293) 3.381 6.569 ( 0.098 -0.551 3.010) 3.062 6.595 ( 0.037 1.175 -2.340) 2.619 6.630 ( -0.052 -0.253 -2.441) 2.454 6.676 ( 2.368 0.738 0.370) 2.508 6.710 ( 1.703 0.074 -2.765) 3.249 6.832 ( -1.458 -3.029 0.044) 3.362 6.852 ( -1.000 -3.570 -1.975) 4.201 7.020 ( -0.609 3.085 2.464) 3.995 7.048 ( -0.805 3.369 0.696) 3.533 7.092 ( -1.646 2.076 0.873) 2.790 7.111 ( -1.897 1.140 -0.992) 2.425 7.291 ( 1.807 -3.155 3.027) 4.731 7.316 ( 0.921 -3.539 0.238) 3.665 7.349 ( -0.541 -3.322 2.659) 4.289 7.385 ( -1.337 -3.043 -0.753) 3.408 8.298 ( 1.094 2.432 2.060) 3.370 8.326 ( 0.466 2.723 -0.851) 2.891 8.349 ( -0.361 2.198 1.315) 2.586 8.362 ( -1.185 2.484 0.111) 2.754 8.613 ( 0.071 1.383 3.242) 3.525 8.628 ( -0.263 1.215 3.395) 3.616 8.683 ( 0.093 2.446 -3.595) 4.349 8.693 ( 0.008 2.122 -3.039) 3.706 8.763 ( 2.160 -2.510 0.214) 3.319 8.783 ( 2.241 -1.767 -1.605) 3.274 8.846 ( -0.501 -2.111 1.686) 2.747 8.885 ( -1.505 -3.599 -2.220) 4.488 8.950 ( -0.310 -2.270 2.593) 3.460 8.994 ( -1.560 -1.887 0.930) 2.619 9.013 ( 0.097 -3.177 -2.999) 4.370 9.046 ( -1.196 -2.199 -3.373) 4.200 9.191 ( 2.162 1.581 1.182) 2.928 9.235 ( 2.627 2.299 -3.290) 4.797 9.253 ( 0.222 0.428 0.325) 0.581 9.290 ( 0.214 0.475 -3.407) 3.446 9.391 ( 0.810 1.549 3.040) 3.507 9.450 ( 0.447 1.822 -2.879) 3.436 9.511 ( -3.018 -1.191 1.342) 3.511 9.532 ( -2.411 -0.350 -0.776) 2.557 ======================= Grid point 107 (42/45) ======================= q-point: (-0.50 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -5.886 -5.958 5.577) 10.062 1.941 ( 5.886 -5.958 5.577) 10.062 2.030 ( -8.173 -2.458 -2.952) 9.031 2.030 ( 8.173 -2.458 -2.952) 9.031 2.313 ( -1.639 -1.907 4.284) 4.967 2.313 ( 1.639 -1.907 4.284) 4.967 2.348 ( -3.777 -1.547 2.094) 4.588 2.348 ( 3.777 -1.547 2.094) 4.588 2.513 ( -1.454 4.416 7.592) 8.903 2.513 ( 1.454 4.416 7.592) 8.903 2.686 ( -3.681 3.546 -6.804) 8.510 2.686 ( 3.681 3.546 -6.804) 8.510 2.787 ( -6.109 3.638 7.987) 10.693 2.787 ( 6.109 3.638 7.987) 10.693 2.921 ( -0.243 4.046 -4.708) 6.213 2.921 ( 0.243 4.046 -4.708) 6.213 3.110 ( -1.491 -0.085 3.713) 4.002 3.110 ( 1.491 -0.085 3.713) 4.002 3.207 ( -3.280 0.483 -4.235) 5.378 3.207 ( 3.280 0.483 -4.235) 5.378 3.320 ( -2.866 -6.524 4.793) 8.588 3.320 ( 2.866 -6.524 4.793) 8.588 3.439 ( -3.994 -5.031 -6.570) 9.188 3.439 ( 3.994 -5.031 -6.570) 9.188 3.522 ( -2.226 -1.605 6.780) 7.315 3.522 ( 2.226 -1.605 6.780) 7.315 3.627 ( -1.068 0.661 -1.140) 1.696 3.627 ( 1.068 0.661 -1.140) 1.696 3.700 ( -3.538 1.145 3.013) 4.786 3.700 ( 3.538 1.145 3.013) 4.786 3.800 ( -2.360 0.511 -3.031) 3.875 3.800 ( 2.360 0.511 -3.031) 3.875 3.876 ( -4.412 0.984 1.171) 4.669 3.876 ( 4.412 0.984 1.171) 4.669 3.954 ( -4.630 1.722 -2.121) 5.376 3.954 ( 4.630 1.722 -2.121) 5.376 4.026 ( -4.841 -0.663 6.813) 8.384 4.026 ( 4.841 -0.663 6.813) 8.384 4.109 ( -1.965 -2.171 -0.247) 2.938 4.109 ( 1.965 -2.171 -0.247) 2.938 4.231 ( -1.192 0.018 4.865) 5.009 4.231 ( 1.192 0.018 4.865) 5.009 4.308 ( -3.531 -4.686 1.155) 5.980 4.308 ( 3.531 -4.686 1.155) 5.980 4.400 ( -0.834 0.278 -0.932) 1.282 4.400 ( 0.834 0.278 -0.932) 1.282 4.481 ( -4.270 3.059 3.103) 6.101 4.481 ( 4.270 3.059 3.103) 6.101 4.510 ( -1.858 1.879 -2.089) 3.369 4.510 ( 1.858 1.879 -2.089) 3.369 4.652 ( -4.483 3.578 -2.336) 6.193 4.652 ( 4.483 3.578 -2.336) 6.193 4.719 ( -4.673 4.364 -1.272) 6.519 4.719 ( 4.673 4.364 -1.272) 6.519 4.768 ( -8.299 -1.543 -6.284) 10.524 4.768 ( 8.299 -1.543 -6.284) 10.524 4.941 ( -7.290 -1.510 2.692) 7.917 4.941 ( 7.290 -1.510 2.692) 7.917 5.041 ( -4.268 0.279 -5.503) 6.970 5.041 ( 4.268 0.279 -5.503) 6.970 5.214 ( -0.786 -0.579 4.912) 5.008 5.214 ( 0.786 -0.579 4.912) 5.008 5.310 ( -0.519 0.316 -3.742) 3.791 5.310 ( 0.519 0.316 -3.742) 3.791 5.495 ( -1.129 0.034 0.185) 1.145 5.495 ( 1.129 0.034 0.185) 1.145 5.514 ( -1.817 0.011 -0.430) 1.867 5.514 ( 1.817 0.011 -0.430) 1.867 5.576 ( -2.082 -0.580 0.583) 2.239 5.576 ( 2.082 -0.580 0.583) 2.239 5.631 ( -0.823 0.428 -3.309) 3.436 5.631 ( 0.823 0.428 -3.309) 3.436 5.952 ( -0.949 -0.390 4.767) 4.876 5.952 ( 0.949 -0.390 4.767) 4.876 6.024 ( -1.506 -0.835 -2.716) 3.216 6.024 ( 1.506 -0.835 -2.716) 3.216 6.207 ( -2.363 1.397 2.198) 3.516 6.207 ( 2.363 1.397 2.198) 3.516 6.246 ( -1.736 1.495 -1.646) 2.821 6.246 ( 1.736 1.495 -1.646) 2.821 6.550 ( -1.166 0.217 3.410) 3.610 6.550 ( 1.166 0.217 3.410) 3.610 6.607 ( -1.127 0.872 -2.261) 2.672 6.607 ( 1.127 0.872 -2.261) 2.672 6.757 ( -2.981 -1.268 0.100) 3.241 6.757 ( 2.981 -1.268 0.100) 3.241 6.796 ( -2.897 -0.834 -3.674) 4.753 6.796 ( 2.897 -0.834 -3.674) 4.753 7.026 ( -1.178 1.569 3.731) 4.215 7.026 ( 1.178 1.569 3.731) 4.215 7.078 ( -0.790 2.378 -1.566) 2.955 7.078 ( 0.790 2.378 -1.566) 2.955 7.329 ( -1.206 -3.605 2.243) 4.414 7.329 ( 1.206 -3.605 2.243) 4.414 7.347 ( -1.789 -2.731 0.254) 3.275 7.347 ( 1.789 -2.731 0.254) 3.275 8.329 ( -1.589 2.450 1.158) 3.141 8.329 ( 1.589 2.450 1.158) 3.141 8.339 ( -0.615 2.556 0.104) 2.631 8.339 ( 0.615 2.556 0.104) 2.631 8.619 ( -0.441 1.514 3.381) 3.731 8.619 ( 0.441 1.514 3.381) 3.731 8.688 ( -0.323 2.424 -3.487) 4.259 8.688 ( 0.323 2.424 -3.487) 4.259 8.817 ( -2.258 -2.468 0.730) 3.424 8.817 ( 2.258 -2.468 0.730) 3.424 8.840 ( -2.467 -2.741 -1.558) 4.003 8.840 ( 2.467 -2.741 -1.558) 4.003 8.958 ( -1.211 -1.579 2.107) 2.899 8.958 ( 1.211 -1.579 2.107) 2.899 9.022 ( -0.789 -2.618 -4.239) 5.044 9.022 ( 0.789 -2.618 -4.239) 5.044 9.239 ( -1.671 -0.231 1.396) 2.190 9.239 ( 1.671 -0.231 1.396) 2.190 9.282 ( -1.235 0.712 -3.058) 3.374 9.282 ( 1.235 0.712 -3.058) 3.374 9.435 ( -3.283 0.581 2.197) 3.993 9.435 ( 3.283 0.581 2.197) 3.993 9.477 ( -2.129 1.344 -2.045) 3.244 9.477 ( 2.129 1.344 -2.045) 3.244 ======================= Grid point 110 (43/45) ======================= q-point: ( 0.00 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 0.000 2.833 2.843) 4.014 1.790 ( 0.000 7.034 -2.116) 7.345 1.859 ( 0.000 -8.702 6.324) 10.757 1.961 ( 0.000 -8.326 -3.781) 9.145 2.321 ( 0.000 1.155 8.505) 8.583 2.341 ( 0.000 0.490 6.989) 7.006 2.422 ( 0.000 1.285 -1.405) 1.904 2.442 ( 0.000 -0.049 -1.489) 1.490 2.586 ( 0.000 6.576 4.359) 7.890 2.697 ( 0.000 3.289 7.546) 8.232 2.704 ( 0.000 7.574 -6.212) 9.795 2.781 ( 0.000 -7.740 1.534) 7.891 2.802 ( 0.000 -2.285 7.723) 8.054 2.888 ( 0.000 -6.145 -2.845) 6.772 2.955 ( 0.000 8.219 2.648) 8.635 2.960 ( 0.000 1.730 -2.092) 2.714 3.036 ( 0.000 -4.027 -5.661) 6.947 3.117 ( 0.000 0.481 -4.745) 4.769 3.120 ( 0.000 -2.947 1.138) 3.159 3.147 ( 0.000 -2.062 -0.395) 2.100 3.190 ( 0.000 7.589 8.238) 11.201 3.426 ( 0.000 -11.460 10.220) 15.355 3.433 ( 0.000 7.630 -12.792) 14.895 3.501 ( 0.000 1.660 8.723) 8.880 3.522 ( 0.000 -0.818 6.154) 6.208 3.531 ( 0.000 -3.059 6.254) 6.962 3.563 ( 0.000 -1.355 1.914) 2.345 3.618 ( 0.000 1.633 1.727) 2.377 3.652 ( 0.000 -7.124 -7.397) 10.269 3.701 ( 0.000 -5.077 3.179) 5.990 3.715 ( 0.000 3.215 -2.913) 4.338 3.748 ( 0.000 0.866 10.643) 10.678 3.760 ( 0.000 -0.321 -2.379) 2.400 3.785 ( 0.000 -2.363 -0.769) 2.485 3.894 ( 0.000 0.205 -3.027) 3.034 3.899 ( 0.000 -1.494 -6.978) 7.136 4.027 ( 0.000 -1.340 0.761) 1.541 4.040 ( 0.000 -2.096 3.464) 4.049 4.092 ( 0.000 2.795 -5.341) 6.028 4.125 ( 0.000 2.172 -2.833) 3.569 4.206 ( 0.000 1.049 0.852) 1.352 4.225 ( 0.000 -2.008 4.956) 5.347 4.290 ( 0.000 1.433 -2.844) 3.185 4.307 ( 0.000 3.357 -1.563) 3.703 4.350 ( 0.000 -2.090 2.865) 3.546 4.404 ( 0.000 -2.193 2.268) 3.155 4.449 ( 0.000 3.137 -4.004) 5.087 4.500 ( 0.000 -1.314 -5.363) 5.522 4.505 ( 0.000 5.914 3.132) 6.692 4.612 ( 0.000 9.848 -4.363) 10.771 4.674 ( 0.000 -7.621 7.267) 10.531 4.799 ( 0.000 3.263 3.626) 4.878 4.816 ( 0.000 -6.703 -5.613) 8.743 4.853 ( 0.000 4.958 -1.054) 5.068 4.875 ( 0.000 -4.049 5.372) 6.727 4.930 ( 0.000 -2.331 -0.335) 2.355 4.933 ( 0.000 4.530 -3.667) 5.828 4.998 ( 0.000 4.763 -8.602) 9.832 5.046 ( 0.000 -4.573 -2.271) 5.106 5.097 ( 0.000 -2.855 -3.670) 4.650 5.169 ( 0.000 -0.420 8.034) 8.045 5.190 ( 0.000 -1.011 5.458) 5.551 5.284 ( 0.000 0.606 -3.218) 3.275 5.298 ( 0.000 -1.553 -4.474) 4.736 5.410 ( 0.000 4.373 4.860) 6.538 5.476 ( 0.000 -1.526 6.241) 6.425 5.481 ( 0.000 4.970 -1.088) 5.088 5.521 ( 0.000 0.556 0.417) 0.695 5.564 ( 0.000 0.119 3.176) 3.178 5.587 ( 0.000 -1.691 2.973) 3.420 5.673 ( 0.000 1.923 -5.352) 5.687 5.704 ( 0.000 0.364 -9.036) 9.043 5.888 ( 0.000 0.571 2.959) 3.013 5.908 ( 0.000 -1.832 4.150) 4.536 5.947 ( 0.000 0.913 -3.194) 3.322 5.980 ( 0.000 -1.956 -2.980) 3.565 6.205 ( 0.000 3.029 2.325) 3.819 6.255 ( 0.000 -1.462 1.240) 1.917 6.258 ( 0.000 2.305 -2.678) 3.534 6.289 ( 0.000 -0.674 -1.919) 2.034 6.543 ( 0.000 0.845 3.335) 3.441 6.560 ( 0.000 -0.437 3.654) 3.680 6.609 ( 0.000 0.711 -3.357) 3.431 6.627 ( 0.000 -0.311 -2.902) 2.918 6.688 ( 0.000 2.379 0.683) 2.475 6.717 ( 0.000 1.474 -2.216) 2.662 6.763 ( 0.000 -4.014 -0.317) 4.026 6.768 ( 0.000 -3.073 -1.123) 3.271 7.098 ( 0.000 3.591 4.064) 5.423 7.147 ( 0.000 1.868 0.224) 1.881 7.170 ( 0.000 4.423 1.094) 4.556 7.192 ( 0.000 -4.135 2.774) 4.979 7.197 ( 0.000 4.695 -2.164) 5.169 7.202 ( 0.000 -4.180 1.551) 4.458 7.268 ( 0.000 -4.491 2.092) 4.954 7.308 ( 0.000 -5.006 -1.802) 5.320 8.349 ( 0.000 2.932 2.694) 3.982 8.384 ( 0.000 0.141 2.578) 2.582 8.393 ( 0.000 3.306 -1.749) 3.740 8.425 ( 0.000 0.966 -1.392) 1.695 8.635 ( 0.000 0.286 3.553) 3.565 8.638 ( 0.000 -0.294 3.174) 3.188 8.680 ( 0.000 -0.801 -0.953) 1.245 8.698 ( 0.000 -1.308 -2.310) 2.654 8.749 ( 0.000 2.534 -0.056) 2.534 8.769 ( 0.000 2.645 -2.183) 3.430 8.817 ( 0.000 -3.497 -0.667) 3.560 8.823 ( 0.000 -1.346 -1.338) 1.898 8.918 ( 0.000 0.055 1.097) 1.099 8.947 ( 0.000 -2.447 1.622) 2.936 8.953 ( 0.000 -1.403 -2.303) 2.697 8.991 ( 0.000 -3.543 -2.812) 4.524 9.232 ( 0.000 2.465 0.189) 2.472 9.262 ( 0.000 -0.190 0.104) 0.217 9.269 ( 0.000 2.418 -3.318) 4.106 9.298 ( 0.000 -0.205 -3.431) 3.438 9.429 ( 0.000 2.749 2.751) 3.889 9.485 ( 0.000 1.845 -2.839) 3.386 9.493 ( 0.000 -2.929 1.673) 3.373 9.526 ( 0.000 -1.903 -1.602) 2.488 ======================= Grid point 111 (44/45) ======================= q-point: ( 0.25 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 2.736 0.981 4.423) 5.293 1.821 ( 2.356 0.749 1.259) 2.774 1.878 ( 2.229 -5.095 2.567) 6.125 1.991 ( 1.695 -5.739 -6.224) 8.634 2.293 ( -2.334 0.439 4.298) 4.911 2.313 ( -1.421 -0.003 5.987) 6.153 2.358 ( -4.618 0.293 0.826) 4.701 2.410 ( -3.010 -1.027 -1.720) 3.615 2.602 ( 0.846 6.541 6.171) 9.033 2.688 ( -1.626 1.675 8.402) 8.720 2.704 ( 2.246 5.071 -2.751) 6.191 2.788 ( 1.074 1.510 8.245) 8.451 2.809 ( 0.228 -2.559 0.758) 2.679 2.897 ( -1.589 4.439 4.584) 6.576 2.973 ( 4.936 -2.224 -0.048) 5.414 2.996 ( 0.079 3.306 -4.061) 5.237 3.062 ( 2.974 -1.508 -0.329) 3.351 3.103 ( -1.120 -0.010 -4.586) 4.721 3.147 ( -0.850 3.659 2.439) 4.479 3.177 ( 2.296 -4.654 -2.871) 5.931 3.185 ( 2.064 -1.717 2.161) 3.446 3.312 ( -6.142 -7.946 5.820) 11.608 3.376 ( -6.622 2.464 -3.393) 7.838 3.418 ( -1.045 0.302 2.088) 2.354 3.489 ( -4.544 -3.839 -2.266) 6.366 3.509 ( -2.037 -0.656 0.507) 2.199 3.556 ( -3.693 -3.775 0.567) 5.311 3.627 ( 2.609 0.875 7.898) 8.364 3.708 ( 3.234 -0.541 -2.481) 4.112 3.722 ( -0.049 -1.052 2.193) 2.433 3.736 ( 2.933 0.103 1.485) 3.289 3.784 ( 4.356 -1.366 -1.236) 4.729 3.838 ( 7.452 -0.618 3.323) 8.183 3.870 ( 2.240 2.007 -2.467) 3.890 3.914 ( 3.103 0.203 1.036) 3.278 3.931 ( 0.046 -0.173 -2.740) 2.746 4.001 ( 1.313 -3.007 -4.710) 5.740 4.014 ( -0.159 2.376 -6.524) 6.945 4.077 ( 0.993 1.982 6.695) 7.053 4.166 ( -1.627 -1.846 5.972) 6.459 4.210 ( -2.419 -3.887 -2.206) 5.082 4.225 ( -3.113 0.011 1.471) 3.443 4.265 ( -1.304 2.329 -0.487) 2.713 4.353 ( 5.071 2.142 2.300) 5.966 4.360 ( -0.791 -1.043 -2.883) 3.166 4.412 ( 3.534 2.110 3.049) 5.123 4.475 ( 2.405 -0.296 -0.450) 2.464 4.508 ( 3.072 4.264 1.101) 5.370 4.568 ( -2.354 3.035 3.273) 5.046 4.614 ( 4.243 0.072 -3.691) 5.624 4.640 ( -1.762 2.534 -3.932) 4.999 4.688 ( -5.323 0.213 0.718) 5.375 4.725 ( -2.537 -0.014 0.272) 2.551 4.797 ( -2.873 -1.421 -3.194) 4.525 4.867 ( -5.463 1.825 -1.017) 5.848 4.920 ( -4.444 -0.880 1.113) 4.665 4.939 ( -1.831 1.486 0.502) 2.411 4.978 ( -1.115 -0.762 -2.305) 2.671 5.008 ( -1.777 -2.277 -3.345) 4.419 5.053 ( -4.799 -3.227 1.133) 5.893 5.161 ( 3.200 0.425 1.333) 3.493 5.222 ( 0.206 -0.129 3.974) 3.982 5.290 ( 1.933 -0.288 -3.031) 3.607 5.324 ( 0.815 -0.578 -3.897) 4.023 5.429 ( 2.838 0.134 1.686) 3.304 5.479 ( 0.871 3.983 -0.717) 4.139 5.524 ( 2.492 1.001 5.859) 6.445 5.531 ( 0.229 0.689 3.343) 3.421 5.546 ( -0.749 -0.204 -0.053) 0.778 5.602 ( 0.863 -0.798 -0.077) 1.178 5.622 ( -2.956 -0.006 -5.409) 6.164 5.699 ( -1.864 0.906 -7.700) 7.974 5.909 ( 1.515 0.045 5.161) 5.379 5.922 ( 0.784 -0.540 2.441) 2.620 5.962 ( 2.074 -1.519 -0.368) 2.597 6.015 ( 1.320 -0.476 -3.962) 4.203 6.213 ( 0.812 2.168 2.439) 3.363 6.250 ( -0.179 0.419 1.196) 1.280 6.266 ( 0.362 1.141 -2.044) 2.368 6.287 ( -0.248 -0.195 -1.646) 1.676 6.552 ( 0.477 0.606 3.701) 3.780 6.557 ( 0.021 -0.363 3.766) 3.784 6.620 ( 0.703 0.563 -2.976) 3.109 6.627 ( 0.054 0.165 -2.963) 2.968 6.702 ( 1.275 1.711 0.340) 2.161 6.720 ( 0.552 0.963 -1.327) 1.730 6.769 ( 0.274 -2.849 -1.196) 3.102 6.776 ( 0.417 -2.783 -2.265) 3.613 7.081 ( -0.994 3.026 4.345) 5.387 7.126 ( -2.624 2.107 2.340) 4.099 7.139 ( -0.799 2.355 -0.669) 2.576 7.159 ( -1.820 2.109 -1.520) 3.173 7.219 ( 1.652 -2.867 2.647) 4.237 7.234 ( 1.166 -1.952 1.205) 2.573 7.268 ( 0.017 -3.433 1.133) 3.616 7.301 ( -0.724 -4.292 -1.594) 4.635 8.360 ( 0.992 2.737 2.213) 3.657 8.388 ( 0.284 0.747 1.792) 1.963 8.393 ( 0.052 2.668 -1.038) 2.863 8.415 ( -0.926 1.506 -0.643) 1.881 8.634 ( 0.430 0.235 3.654) 3.687 8.649 ( 0.385 0.341 3.639) 3.675 8.701 ( 1.571 -1.018 -1.517) 2.410 8.709 ( 0.872 -0.781 -2.751) 2.989 8.762 ( 1.203 1.459 -0.358) 1.925 8.768 ( 0.131 2.329 -1.263) 2.652 8.815 ( -0.381 -2.508 -0.796) 2.658 8.820 ( -0.393 -0.467 -1.361) 1.492 8.905 ( -0.636 -0.813 1.533) 1.849 8.938 ( -0.416 -2.779 -0.545) 2.863 8.944 ( -1.050 -1.661 -1.544) 2.499 8.977 ( -1.268 -3.542 -3.399) 5.070 9.233 ( 0.156 1.774 1.374) 2.249 9.258 ( -0.502 -0.259 0.969) 1.122 9.282 ( 0.964 1.597 -3.489) 3.956 9.301 ( 0.246 0.193 -3.375) 3.389 9.430 ( 0.255 1.793 2.805) 3.339 9.477 ( -0.997 -0.901 0.930) 1.634 9.489 ( -0.057 0.714 -2.194) 2.308 9.516 ( -0.794 -1.002 -2.054) 2.419 ======================= Grid point 112 (45/45) ======================= q-point: (-0.50 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -1.672 -3.329 7.064) 7.986 1.826 ( 1.672 -3.329 7.064) 7.986 1.972 ( -4.174 -1.976 -7.503) 8.811 1.972 ( 4.174 -1.976 -7.503) 8.811 2.262 ( -0.672 -1.779 5.758) 6.064 2.262 ( 0.672 -1.779 5.758) 6.064 2.344 ( -2.174 0.490 -1.628) 2.760 2.344 ( 2.174 0.490 -1.628) 2.760 2.632 ( -2.386 4.538 9.532) 10.823 2.632 ( 2.386 4.538 9.532) 10.823 2.767 ( -2.823 3.541 0.957) 4.628 2.767 ( 2.823 3.541 0.957) 4.628 2.864 ( -3.707 3.067 4.094) 6.317 2.864 ( 3.707 3.067 4.094) 6.317 3.012 ( -2.418 2.821 -4.546) 5.871 3.012 ( 2.418 2.821 -4.546) 5.871 3.089 ( -2.848 -3.438 10.361) 11.282 3.089 ( 2.848 -3.438 10.361) 11.282 3.156 ( -2.385 -3.030 3.045) 4.913 3.156 ( 2.385 -3.030 3.045) 4.913 3.250 ( -2.297 -0.649 -4.607) 5.189 3.250 ( 2.297 -0.649 -4.607) 5.189 3.333 ( -7.142 -1.745 -11.583) 13.719 3.333 ( 7.142 -1.745 -11.583) 13.719 3.455 ( -3.223 -3.147 5.981) 7.487 3.455 ( 3.223 -3.147 5.981) 7.487 3.577 ( -4.646 -3.254 -4.477) 7.226 3.577 ( 4.646 -3.254 -4.477) 7.226 3.726 ( -2.292 0.997 8.887) 9.232 3.726 ( 2.292 0.997 8.887) 9.232 3.864 ( -0.716 2.988 -5.334) 6.156 3.864 ( 0.716 2.988 -5.334) 6.156 3.894 ( -2.564 -0.427 1.753) 3.135 3.894 ( 2.564 -0.427 1.753) 3.135 3.950 ( -3.716 0.189 -0.751) 3.796 3.950 ( 3.716 0.189 -0.751) 3.796 4.026 ( -5.376 -0.130 0.474) 5.399 4.026 ( 5.376 -0.130 0.474) 5.399 4.089 ( -4.462 -0.048 -1.006) 4.575 4.089 ( 4.462 -0.048 -1.006) 4.575 4.193 ( -0.632 -2.609 3.055) 4.067 4.193 ( 0.632 -2.609 3.055) 4.067 4.280 ( -4.273 1.362 -2.146) 4.972 4.280 ( 4.273 1.362 -2.146) 4.972 4.448 ( -1.621 1.419 5.231) 5.658 4.448 ( 1.621 1.419 5.231) 5.658 4.496 ( -4.098 0.748 7.465) 8.548 4.496 ( 4.098 0.748 7.465) 8.548 4.591 ( -1.669 3.631 -5.417) 6.731 4.591 ( 1.669 3.631 -5.417) 6.731 4.682 ( -3.855 -0.363 -5.500) 6.726 4.682 ( 3.855 -0.363 -5.500) 6.726 4.760 ( -4.017 0.852 1.134) 4.261 4.760 ( 4.017 0.852 1.134) 4.261 4.814 ( -4.805 3.695 -1.559) 6.259 4.814 ( 4.805 3.695 -1.559) 6.259 4.871 ( -3.185 -4.217 3.110) 6.132 4.871 ( 3.185 -4.217 3.110) 6.132 5.005 ( -2.244 -2.548 -7.141) 7.906 5.005 ( 2.244 -2.548 -7.141) 7.906 5.218 ( -1.044 0.348 5.901) 6.003 5.218 ( 1.044 0.348 5.901) 6.003 5.320 ( -1.149 0.483 -2.436) 2.737 5.320 ( 1.149 0.483 -2.436) 2.737 5.502 ( -0.704 0.005 -1.134) 1.335 5.502 ( 0.704 0.005 -1.134) 1.335 5.531 ( -0.556 1.595 -0.245) 1.707 5.531 ( 0.556 1.595 -0.245) 1.707 5.567 ( -1.909 -0.431 0.226) 1.970 5.567 ( 1.909 -0.431 0.226) 1.970 5.633 ( -2.981 -0.021 -3.895) 4.905 5.633 ( 2.981 -0.021 -3.895) 4.905 5.932 ( -0.270 -1.052 5.196) 5.308 5.932 ( 0.270 -1.052 5.196) 5.308 6.009 ( -1.703 -0.398 -2.691) 3.210 6.009 ( 1.703 -0.398 -2.691) 3.210 6.237 ( -1.073 0.966 2.129) 2.573 6.237 ( 1.073 0.966 2.129) 2.573 6.277 ( -0.635 0.953 -1.894) 2.213 6.277 ( 0.635 0.953 -1.894) 2.213 6.558 ( -0.200 0.348 4.038) 4.058 6.558 ( 0.200 0.348 4.038) 4.058 6.628 ( -0.056 0.836 -2.809) 2.932 6.628 ( 0.056 0.836 -2.809) 2.932 6.729 ( -0.591 -1.054 0.762) 1.429 6.729 ( 0.591 -1.054 0.762) 1.429 6.774 ( -0.443 -0.832 -3.793) 3.909 6.774 ( 0.443 -0.832 -3.793) 3.909 7.079 ( -1.142 2.655 3.905) 4.858 7.079 ( 1.142 2.655 3.905) 4.858 7.132 ( -0.415 2.008 -1.422) 2.495 7.132 ( 0.415 2.008 -1.422) 2.495 7.245 ( -0.377 -3.111 2.606) 4.075 7.245 ( 0.377 -3.111 2.606) 4.075 7.278 ( -1.098 -2.909 -1.025) 3.274 7.278 ( 1.098 -2.909 -1.025) 3.274 8.387 ( -1.305 2.216 0.958) 2.744 8.387 ( 1.305 2.216 0.958) 2.744 8.394 ( -0.186 1.751 0.278) 1.782 8.394 ( 0.186 1.751 0.278) 1.782 8.647 ( -0.513 0.567 3.929) 4.002 8.647 ( 0.513 0.567 3.929) 4.002 8.722 ( -0.125 -0.230 -2.959) 2.971 8.722 ( 0.125 -0.230 -2.959) 2.971 8.782 ( -0.632 -0.446 0.749) 1.076 8.782 ( 0.632 -0.446 0.749) 1.076 8.805 ( -0.529 0.750 -1.796) 2.017 8.805 ( 0.529 0.750 -1.796) 2.017 8.913 ( -1.297 -1.522 0.055) 2.001 8.913 ( 1.297 -1.522 0.055) 2.001 8.945 ( -1.146 -3.704 -2.982) 4.891 8.945 ( 1.146 -3.704 -2.982) 4.891 9.243 ( -0.711 0.280 2.222) 2.350 9.243 ( 0.711 0.280 2.222) 2.350 9.300 ( -0.484 0.619 -3.598) 3.683 9.300 ( 0.484 0.619 -3.598) 3.683 9.447 ( -1.337 0.366 2.259) 2.650 9.447 ( 1.337 0.366 2.259) 2.650 9.498 ( -0.783 0.480 -2.772) 2.920 9.498 ( 0.783 0.480 -2.772) 2.920 =================== 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 3/21600 10.0 1459.495 1159.149 1949.658 0.000 0.000 -0.000 3/21600 20.0 305.999 238.931 349.695 0.000 0.000 -0.000 3/21600 30.0 96.762 75.723 115.806 0.000 0.000 -0.000 3/21600 40.0 47.805 38.726 58.615 0.000 0.000 -0.000 3/21600 50.0 29.924 24.814 37.217 0.000 0.000 -0.000 3/21600 60.0 21.327 17.917 26.743 0.000 0.000 -0.000 3/21600 70.0 16.440 13.908 20.715 0.000 0.000 -0.000 3/21600 80.0 13.340 11.329 16.860 0.000 0.000 -0.000 3/21600 90.0 11.218 9.547 14.207 0.000 0.000 -0.000 3/21600 100.0 9.682 8.249 12.280 0.000 0.000 -0.000 3/21600 110.0 8.522 7.265 10.820 0.000 0.000 -0.000 3/21600 120.0 7.616 6.495 9.678 0.000 0.000 -0.000 3/21600 130.0 6.889 5.876 8.760 0.000 0.000 -0.000 3/21600 140.0 6.292 5.368 8.007 0.000 0.000 -0.000 3/21600 150.0 5.794 4.943 7.377 0.000 0.000 -0.000 3/21600 160.0 5.372 4.583 6.842 0.000 0.000 -0.000 3/21600 170.0 5.009 4.274 6.383 0.000 0.000 -0.000 3/21600 180.0 4.694 4.005 5.983 0.000 0.000 -0.000 3/21600 190.0 4.418 3.769 5.633 0.000 0.000 -0.000 3/21600 200.0 4.173 3.560 5.322 0.000 0.000 -0.000 3/21600 210.0 3.955 3.374 5.045 0.000 0.000 -0.000 3/21600 220.0 3.759 3.208 4.797 0.000 0.000 -0.000 3/21600 230.0 3.582 3.057 4.572 0.000 0.000 -0.000 3/21600 240.0 3.422 2.920 4.368 0.000 0.000 -0.000 3/21600 250.0 3.276 2.795 4.182 0.000 0.000 -0.000 3/21600 260.0 3.142 2.681 4.012 0.000 0.000 -0.000 3/21600 270.0 3.019 2.576 3.855 0.000 0.000 -0.000 3/21600 280.0 2.905 2.479 3.711 0.000 0.000 -0.000 3/21600 290.0 2.800 2.390 3.577 0.000 0.000 -0.000 3/21600 300.0 2.702 2.306 3.453 0.000 0.000 -0.000 3/21600 310.0 2.611 2.229 3.337 0.000 0.000 -0.000 3/21600 320.0 2.526 2.157 3.229 0.000 0.000 -0.000 3/21600 330.0 2.447 2.089 3.128 0.000 0.000 -0.000 3/21600 340.0 2.373 2.025 3.033 0.000 0.000 -0.000 3/21600 350.0 2.303 1.966 2.943 0.000 0.000 -0.000 3/21600 360.0 2.237 1.909 2.859 0.000 0.000 -0.000 3/21600 370.0 2.174 1.856 2.780 0.000 0.000 -0.000 3/21600 380.0 2.116 1.806 2.705 0.000 0.000 -0.000 3/21600 390.0 2.060 1.759 2.634 0.000 0.000 -0.000 3/21600 400.0 2.007 1.714 2.567 0.000 0.000 -0.000 3/21600 410.0 1.957 1.671 2.503 0.000 0.000 -0.000 3/21600 420.0 1.910 1.631 2.442 0.000 0.000 -0.000 3/21600 430.0 1.864 1.592 2.385 0.000 0.000 -0.000 3/21600 440.0 1.821 1.555 2.329 0.000 0.000 -0.000 3/21600 450.0 1.780 1.520 2.277 0.000 0.000 -0.000 3/21600 460.0 1.741 1.486 2.227 0.000 0.000 -0.000 3/21600 470.0 1.703 1.454 2.179 0.000 0.000 -0.000 3/21600 480.0 1.667 1.424 2.133 0.000 0.000 -0.000 3/21600 490.0 1.632 1.394 2.089 0.000 0.000 -0.000 3/21600 500.0 1.599 1.366 2.046 0.000 0.000 -0.000 3/21600 510.0 1.567 1.339 2.006 0.000 0.000 -0.000 3/21600 520.0 1.537 1.313 1.967 0.000 0.000 -0.000 3/21600 530.0 1.508 1.288 1.929 0.000 0.000 -0.000 3/21600 540.0 1.479 1.264 1.893 0.000 0.000 -0.000 3/21600 550.0 1.452 1.240 1.858 0.000 0.000 -0.000 3/21600 560.0 1.426 1.218 1.825 0.000 0.000 -0.000 3/21600 570.0 1.401 1.196 1.793 0.000 0.000 -0.000 3/21600 580.0 1.376 1.176 1.762 0.000 0.000 -0.000 3/21600 590.0 1.353 1.156 1.731 0.000 0.000 -0.000 3/21600 600.0 1.330 1.136 1.702 0.000 0.000 -0.000 3/21600 610.0 1.308 1.117 1.674 0.000 0.000 -0.000 3/21600 620.0 1.287 1.099 1.647 0.000 0.000 -0.000 3/21600 630.0 1.266 1.082 1.621 0.000 0.000 -0.000 3/21600 640.0 1.246 1.065 1.595 0.000 0.000 -0.000 3/21600 650.0 1.227 1.048 1.571 0.000 0.000 -0.000 3/21600 660.0 1.208 1.032 1.547 0.000 0.000 -0.000 3/21600 670.0 1.190 1.017 1.524 0.000 0.000 -0.000 3/21600 680.0 1.173 1.002 1.501 0.000 0.000 -0.000 3/21600 690.0 1.155 0.987 1.479 0.000 0.000 -0.000 3/21600 700.0 1.139 0.973 1.458 0.000 0.000 -0.000 3/21600 710.0 1.123 0.959 1.437 0.000 0.000 -0.000 3/21600 720.0 1.107 0.946 1.417 0.000 0.000 -0.000 3/21600 730.0 1.092 0.933 1.398 0.000 0.000 -0.000 3/21600 740.0 1.077 0.920 1.379 0.000 0.000 -0.000 3/21600 750.0 1.063 0.908 1.360 0.000 0.000 -0.000 3/21600 760.0 1.048 0.896 1.342 0.000 0.000 -0.000 3/21600 770.0 1.035 0.884 1.325 0.000 0.000 -0.000 3/21600 780.0 1.022 0.873 1.308 0.000 0.000 -0.000 3/21600 790.0 1.009 0.862 1.291 0.000 0.000 -0.000 3/21600 800.0 0.996 0.851 1.275 0.000 0.000 -0.000 3/21600 810.0 0.984 0.840 1.259 0.000 0.000 -0.000 3/21600 820.0 0.971 0.830 1.244 0.000 0.000 -0.000 3/21600 830.0 0.960 0.820 1.229 0.000 0.000 -0.000 3/21600 840.0 0.948 0.810 1.214 0.000 0.000 -0.000 3/21600 850.0 0.937 0.801 1.200 0.000 0.000 -0.000 3/21600 860.0 0.926 0.791 1.186 0.000 0.000 -0.000 3/21600 870.0 0.915 0.782 1.172 0.000 0.000 -0.000 3/21600 880.0 0.905 0.773 1.159 0.000 0.000 -0.000 3/21600 890.0 0.895 0.765 1.146 0.000 0.000 -0.000 3/21600 900.0 0.885 0.756 1.133 0.000 0.000 -0.000 3/21600 910.0 0.875 0.748 1.121 0.000 0.000 -0.000 3/21600 920.0 0.866 0.740 1.109 0.000 0.000 -0.000 3/21600 930.0 0.856 0.732 1.097 0.000 0.000 -0.000 3/21600 940.0 0.847 0.724 1.085 0.000 0.000 -0.000 3/21600 950.0 0.838 0.716 1.073 0.000 0.000 -0.000 3/21600 960.0 0.829 0.709 1.062 0.000 0.000 -0.000 3/21600 970.0 0.821 0.702 1.051 0.000 0.000 -0.000 3/21600 980.0 0.813 0.694 1.041 0.000 0.000 -0.000 3/21600 990.0 0.804 0.687 1.030 0.000 0.000 -0.000 3/21600 1000.0 0.796 0.681 1.020 0.000 0.000 -0.000 3/21600 Thermal conductivity related properties were written into "kappa-m459.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:27:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|