----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 16:23:34]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.210214390000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.003708680000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.785153469999997 Atomic positions (fractional): *1 Sr 0.28873024077936 0.75000000000000 0.48092130051183 87.620 *2 Sr 0.25279006418348 0.11993850708612 0.62598108159268 87.620 *3 Sr 0.47113060853783 0.38715682617428 0.24663743749503 87.620 4 Sr 0.24720993581652 0.61993850708612 0.12598108159269 87.620 5 Sr 0.97113060853783 0.38715682617428 0.25336256250497 87.620 6 Sr 0.02886939146217 0.88715682617428 0.74663743749503 87.620 7 Sr 0.74720993581652 0.88006149291388 0.37401891840731 87.620 8 Sr 0.52886939146217 0.61284317382572 0.75336256250497 87.620 9 Sr 0.75279006418348 0.38006149291388 0.87401891840732 87.620 10 Sr 0.24720993581652 0.88006149291388 0.12598108159269 87.620 11 Sr 0.75279006418348 0.11993850708612 0.87401891840732 87.620 12 Sr 0.78873024077936 0.75000000000000 0.01907869948817 87.620 13 Sr 0.02886939146217 0.61284317382572 0.74663743749503 87.620 14 Sr 0.21126975922064 0.25000000000000 0.98092130051183 87.620 15 Sr 0.74720993581652 0.61993850708612 0.37401891840731 87.620 16 Sr 0.52886939146217 0.88715682617428 0.75336256250497 87.620 17 Sr 0.97113060853783 0.11284317382572 0.25336256250497 87.620 18 Sr 0.47113060853783 0.11284317382572 0.24663743749503 87.620 19 Sr 0.25279006418348 0.38006149291388 0.62598108159268 87.620 20 Sr 0.71126975922064 0.25000000000000 0.51907869948817 87.620 *21 B 0.19883640479269 0.46168268983708 0.93844093590236 10.811 *22 B 0.21780473263960 0.25000000000000 0.38946238667417 10.811 23 B 0.71780473263960 0.25000000000000 0.11053761332583 10.811 24 B 0.30116359520731 0.96168268983708 0.43844093590236 10.811 25 B 0.80116359520731 0.53831731016292 0.06155906409764 10.811 26 B 0.19883640479269 0.03831731016292 0.93844093590236 10.811 27 B 0.69883640479269 0.03831731016292 0.56155906409764 10.811 28 B 0.69883640479269 0.46168268983708 0.56155906409764 10.811 29 B 0.30116359520731 0.53831731016292 0.43844093590236 10.811 30 B 0.78219526736040 0.75000000000000 0.61053761332583 10.811 31 B 0.80116359520731 0.96168268983708 0.06155906409764 10.811 32 B 0.28219526736040 0.75000000000000 0.88946238667417 10.811 *33 O 0.21544562684760 0.25000000000000 0.24708492804074 15.999 *34 O 0.22254716499614 0.06944791329032 0.07243442892921 15.999 35 O 0.77745283500386 0.93055208670968 0.92756557107079 15.999 36 O 0.72254716499614 0.43055208670968 0.42756557107079 15.999 *37 O 0.59107151900658 0.41003428174755 0.65287639150818 15.999 38 O 0.90892848099342 0.91003428174755 0.15287639150818 15.999 *39 O 0.55498827878942 0.25000000000000 0.03662632078439 15.999 *40 O 0.78107836125968 0.95386526410293 0.60412492880684 15.999 41 O 0.27745283500386 0.56944791329032 0.57243442892921 15.999 42 O 0.21892163874032 0.45386526410292 0.39587507119316 15.999 *43 O 0.88649803875455 0.25000000000000 0.04403017205777 15.999 44 O 0.71544562684760 0.25000000000000 0.25291507195926 15.999 45 O 0.28107836125968 0.54613473589707 0.89587507119316 15.999 46 O 0.40892848099342 0.58996571825245 0.34712360849182 15.999 47 O 0.78107836125968 0.54613473589707 0.60412492880684 15.999 48 O 0.44501172121058 0.75000000000000 0.96337367921561 15.999 49 O 0.28107836125968 0.95386526410293 0.89587507119316 15.999 50 O 0.78455437315240 0.75000000000000 0.75291507195926 15.999 51 O 0.05498827878942 0.25000000000000 0.46337367921561 15.999 52 O 0.09107151900658 0.08996571825245 0.84712360849182 15.999 53 O 0.40892848099342 0.91003428174755 0.34712360849182 15.999 54 O 0.38649803875455 0.25000000000000 0.45596982794223 15.999 55 O 0.71892163874032 0.45386526410292 0.10412492880684 15.999 56 O 0.61350196124545 0.75000000000000 0.54403017205777 15.999 57 O 0.27745283500386 0.93055208670968 0.57243442892921 15.999 58 O 0.11350196124545 0.75000000000000 0.95596982794223 15.999 59 O 0.59107151900658 0.08996571825245 0.65287639150818 15.999 60 O 0.21892163874032 0.04613473589708 0.39587507119316 15.999 61 O 0.28455437315240 0.75000000000000 0.74708492804074 15.999 62 O 0.71892163874032 0.04613473589708 0.10412492880684 15.999 63 O 0.77745283500386 0.56944791329032 0.92756557107079 15.999 64 O 0.72254716499614 0.06944791329032 0.42756557107079 15.999 65 O 0.22254716499614 0.43055208670968 0.07243442892921 15.999 66 O 0.90892848099342 0.58996571825245 0.15287639150818 15.999 67 O 0.94501172121058 0.75000000000000 0.53662632078439 15.999 68 O 0.09107151900658 0.41003428174755 0.84712360849182 15.999 *69 F 0.36348805492940 0.25000000000000 0.76436617952028 18.998 70 F 0.86348805492940 0.25000000000000 0.73563382047972 18.998 71 F 0.63651194507060 0.75000000000000 0.23563382047972 18.998 72 F 0.13651194507060 0.75000000000000 0.26436617952028 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.210214390000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.003708680000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.785153469999997 Atomic positions (fractional): *1 Sr 0.28873024077936 0.75000000000000 0.48092130051183 87.620 > 1 *2 Sr 0.25279006418348 0.11993850708612 0.62598108159268 87.620 > 2 *3 Sr 0.47113060853783 0.38715682617428 0.24663743749503 87.620 > 3 4 Sr 0.24720993581652 0.61993850708612 0.12598108159269 87.620 > 4 5 Sr 0.97113060853783 0.38715682617428 0.25336256250497 87.620 > 5 6 Sr 0.02886939146217 0.88715682617428 0.74663743749503 87.620 > 6 7 Sr 0.74720993581652 0.88006149291388 0.37401891840731 87.620 > 7 8 Sr 0.52886939146217 0.61284317382572 0.75336256250497 87.620 > 8 9 Sr 0.75279006418348 0.38006149291388 0.87401891840732 87.620 > 9 10 Sr 0.24720993581652 0.88006149291388 0.12598108159269 87.620 > 10 11 Sr 0.75279006418348 0.11993850708612 0.87401891840732 87.620 > 11 12 Sr 0.78873024077936 0.75000000000000 0.01907869948817 87.620 > 12 13 Sr 0.02886939146217 0.61284317382572 0.74663743749503 87.620 > 13 14 Sr 0.21126975922064 0.25000000000000 0.98092130051183 87.620 > 14 15 Sr 0.74720993581652 0.61993850708612 0.37401891840731 87.620 > 15 16 Sr 0.52886939146217 0.88715682617428 0.75336256250497 87.620 > 16 17 Sr 0.97113060853783 0.11284317382572 0.25336256250497 87.620 > 17 18 Sr 0.47113060853783 0.11284317382572 0.24663743749503 87.620 > 18 19 Sr 0.25279006418348 0.38006149291388 0.62598108159268 87.620 > 19 20 Sr 0.71126975922064 0.25000000000000 0.51907869948817 87.620 > 20 *21 B 0.19883640479269 0.46168268983708 0.93844093590236 10.811 > 21 *22 B 0.21780473263960 0.25000000000000 0.38946238667417 10.811 > 22 23 B 0.71780473263960 0.25000000000000 0.11053761332583 10.811 > 23 24 B 0.30116359520731 0.96168268983708 0.43844093590236 10.811 > 24 25 B 0.80116359520731 0.53831731016292 0.06155906409764 10.811 > 25 26 B 0.19883640479269 0.03831731016292 0.93844093590236 10.811 > 26 27 B 0.69883640479269 0.03831731016292 0.56155906409764 10.811 > 27 28 B 0.69883640479269 0.46168268983708 0.56155906409764 10.811 > 28 29 B 0.30116359520731 0.53831731016292 0.43844093590236 10.811 > 29 30 B 0.78219526736040 0.75000000000000 0.61053761332583 10.811 > 30 31 B 0.80116359520731 0.96168268983708 0.06155906409764 10.811 > 31 32 B 0.28219526736040 0.75000000000000 0.88946238667417 10.811 > 32 *33 O 0.21544562684760 0.25000000000000 0.24708492804074 15.999 > 33 *34 O 0.22254716499614 0.06944791329032 0.07243442892921 15.999 > 34 35 O 0.77745283500386 0.93055208670968 0.92756557107079 15.999 > 35 36 O 0.72254716499614 0.43055208670968 0.42756557107079 15.999 > 36 *37 O 0.59107151900658 0.41003428174755 0.65287639150818 15.999 > 37 38 O 0.90892848099342 0.91003428174755 0.15287639150818 15.999 > 38 *39 O 0.55498827878942 0.25000000000000 0.03662632078439 15.999 > 39 *40 O 0.78107836125968 0.95386526410293 0.60412492880684 15.999 > 40 41 O 0.27745283500386 0.56944791329032 0.57243442892921 15.999 > 41 42 O 0.21892163874032 0.45386526410292 0.39587507119316 15.999 > 42 *43 O 0.88649803875455 0.25000000000000 0.04403017205777 15.999 > 43 44 O 0.71544562684760 0.25000000000000 0.25291507195926 15.999 > 44 45 O 0.28107836125968 0.54613473589707 0.89587507119316 15.999 > 45 46 O 0.40892848099342 0.58996571825245 0.34712360849182 15.999 > 46 47 O 0.78107836125968 0.54613473589707 0.60412492880684 15.999 > 47 48 O 0.44501172121058 0.75000000000000 0.96337367921561 15.999 > 48 49 O 0.28107836125968 0.95386526410293 0.89587507119316 15.999 > 49 50 O 0.78455437315240 0.75000000000000 0.75291507195926 15.999 > 50 51 O 0.05498827878942 0.25000000000000 0.46337367921561 15.999 > 51 52 O 0.09107151900658 0.08996571825245 0.84712360849182 15.999 > 52 53 O 0.40892848099342 0.91003428174755 0.34712360849182 15.999 > 53 54 O 0.38649803875455 0.25000000000000 0.45596982794223 15.999 > 54 55 O 0.71892163874032 0.45386526410292 0.10412492880684 15.999 > 55 56 O 0.61350196124545 0.75000000000000 0.54403017205777 15.999 > 56 57 O 0.27745283500386 0.93055208670968 0.57243442892921 15.999 > 57 58 O 0.11350196124545 0.75000000000000 0.95596982794223 15.999 > 58 59 O 0.59107151900658 0.08996571825245 0.65287639150818 15.999 > 59 60 O 0.21892163874032 0.04613473589708 0.39587507119316 15.999 > 60 61 O 0.28455437315240 0.75000000000000 0.74708492804074 15.999 > 61 62 O 0.71892163874032 0.04613473589708 0.10412492880684 15.999 > 62 63 O 0.77745283500386 0.56944791329032 0.92756557107079 15.999 > 63 64 O 0.72254716499614 0.06944791329032 0.42756557107079 15.999 > 64 65 O 0.22254716499614 0.43055208670968 0.07243442892921 15.999 > 65 66 O 0.90892848099342 0.58996571825245 0.15287639150818 15.999 > 66 67 O 0.94501172121058 0.75000000000000 0.53662632078439 15.999 > 67 68 O 0.09107151900658 0.41003428174755 0.84712360849182 15.999 > 68 *69 F 0.36348805492940 0.25000000000000 0.76436617952028 18.998 > 69 70 F 0.86348805492940 0.25000000000000 0.73563382047972 18.998 > 70 71 F 0.63651194507060 0.75000000000000 0.23563382047972 18.998 > 71 72 F 0.13651194507060 0.75000000000000 0.26436617952028 18.998 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.420428780000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.003708680000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.785153469999997 Atomic positions (fractional): *1 Sr 0.14436512038968 0.75000000000000 0.48092130051183 87.620 > 1 2 Sr 0.64436512038968 0.75000000000000 0.48092130051183 87.620 > 1 *3 Sr 0.12639503209174 0.11993850708612 0.62598108159268 87.620 > 2 4 Sr 0.62639503209174 0.11993850708612 0.62598108159268 87.620 > 2 *5 Sr 0.23556530426892 0.38715682617428 0.24663743749503 87.620 > 3 6 Sr 0.73556530426892 0.38715682617428 0.24663743749503 87.620 > 3 7 Sr 0.12360496790826 0.61993850708612 0.12598108159269 87.620 > 4 8 Sr 0.62360496790826 0.61993850708612 0.12598108159269 87.620 > 4 9 Sr 0.48556530426892 0.38715682617428 0.25336256250497 87.620 > 5 10 Sr 0.98556530426892 0.38715682617428 0.25336256250497 87.620 > 5 11 Sr 0.01443469573108 0.88715682617428 0.74663743749503 87.620 > 6 12 Sr 0.51443469573108 0.88715682617428 0.74663743749503 87.620 > 6 13 Sr 0.37360496790826 0.88006149291388 0.37401891840731 87.620 > 7 14 Sr 0.87360496790826 0.88006149291388 0.37401891840731 87.620 > 7 15 Sr 0.26443469573108 0.61284317382572 0.75336256250497 87.620 > 8 16 Sr 0.76443469573108 0.61284317382572 0.75336256250497 87.620 > 8 17 Sr 0.37639503209174 0.38006149291388 0.87401891840732 87.620 > 9 18 Sr 0.87639503209174 0.38006149291388 0.87401891840732 87.620 > 9 19 Sr 0.12360496790826 0.88006149291388 0.12598108159269 87.620 > 10 20 Sr 0.62360496790826 0.88006149291388 0.12598108159269 87.620 > 10 21 Sr 0.37639503209174 0.11993850708612 0.87401891840732 87.620 > 11 22 Sr 0.87639503209174 0.11993850708612 0.87401891840732 87.620 > 11 23 Sr 0.39436512038968 0.75000000000000 0.01907869948817 87.620 > 12 24 Sr 0.89436512038968 0.75000000000000 0.01907869948817 87.620 > 12 25 Sr 0.01443469573108 0.61284317382572 0.74663743749503 87.620 > 13 26 Sr 0.51443469573108 0.61284317382572 0.74663743749503 87.620 > 13 27 Sr 0.10563487961032 0.25000000000000 0.98092130051183 87.620 > 14 28 Sr 0.60563487961032 0.25000000000000 0.98092130051183 87.620 > 14 29 Sr 0.37360496790826 0.61993850708612 0.37401891840731 87.620 > 15 30 Sr 0.87360496790826 0.61993850708612 0.37401891840731 87.620 > 15 31 Sr 0.26443469573108 0.88715682617428 0.75336256250497 87.620 > 16 32 Sr 0.76443469573108 0.88715682617428 0.75336256250497 87.620 > 16 33 Sr 0.48556530426892 0.11284317382572 0.25336256250497 87.620 > 17 34 Sr 0.98556530426892 0.11284317382572 0.25336256250497 87.620 > 17 35 Sr 0.23556530426892 0.11284317382572 0.24663743749503 87.620 > 18 36 Sr 0.73556530426892 0.11284317382572 0.24663743749503 87.620 > 18 37 Sr 0.12639503209174 0.38006149291388 0.62598108159268 87.620 > 19 38 Sr 0.62639503209174 0.38006149291388 0.62598108159268 87.620 > 19 39 Sr 0.35563487961032 0.25000000000000 0.51907869948817 87.620 > 20 40 Sr 0.85563487961032 0.25000000000000 0.51907869948817 87.620 > 20 *41 B 0.09941820239635 0.46168268983708 0.93844093590236 10.811 > 21 42 B 0.59941820239635 0.46168268983708 0.93844093590236 10.811 > 21 *43 B 0.10890236631980 0.25000000000000 0.38946238667417 10.811 > 22 44 B 0.60890236631980 0.25000000000000 0.38946238667417 10.811 > 22 45 B 0.35890236631980 0.25000000000000 0.11053761332583 10.811 > 23 46 B 0.85890236631980 0.25000000000000 0.11053761332583 10.811 > 23 47 B 0.15058179760365 0.96168268983708 0.43844093590236 10.811 > 24 48 B 0.65058179760365 0.96168268983708 0.43844093590236 10.811 > 24 49 B 0.40058179760365 0.53831731016292 0.06155906409764 10.811 > 25 50 B 0.90058179760365 0.53831731016292 0.06155906409764 10.811 > 25 51 B 0.09941820239635 0.03831731016292 0.93844093590236 10.811 > 26 52 B 0.59941820239635 0.03831731016292 0.93844093590236 10.811 > 26 53 B 0.34941820239635 0.03831731016292 0.56155906409764 10.811 > 27 54 B 0.84941820239635 0.03831731016292 0.56155906409764 10.811 > 27 55 B 0.34941820239635 0.46168268983708 0.56155906409764 10.811 > 28 56 B 0.84941820239635 0.46168268983708 0.56155906409764 10.811 > 28 57 B 0.15058179760365 0.53831731016292 0.43844093590236 10.811 > 29 58 B 0.65058179760365 0.53831731016292 0.43844093590236 10.811 > 29 59 B 0.39109763368020 0.75000000000000 0.61053761332583 10.811 > 30 60 B 0.89109763368020 0.75000000000000 0.61053761332583 10.811 > 30 61 B 0.40058179760365 0.96168268983708 0.06155906409764 10.811 > 31 62 B 0.90058179760365 0.96168268983708 0.06155906409764 10.811 > 31 63 B 0.14109763368020 0.75000000000000 0.88946238667417 10.811 > 32 64 B 0.64109763368020 0.75000000000000 0.88946238667417 10.811 > 32 *65 O 0.10772281342380 0.25000000000000 0.24708492804074 15.999 > 33 66 O 0.60772281342380 0.25000000000000 0.24708492804074 15.999 > 33 *67 O 0.11127358249807 0.06944791329032 0.07243442892921 15.999 > 34 68 O 0.61127358249807 0.06944791329032 0.07243442892921 15.999 > 34 69 O 0.38872641750193 0.93055208670968 0.92756557107079 15.999 > 35 70 O 0.88872641750193 0.93055208670968 0.92756557107079 15.999 > 35 71 O 0.36127358249807 0.43055208670968 0.42756557107079 15.999 > 36 72 O 0.86127358249807 0.43055208670968 0.42756557107079 15.999 > 36 *73 O 0.29553575950329 0.41003428174755 0.65287639150818 15.999 > 37 74 O 0.79553575950329 0.41003428174755 0.65287639150818 15.999 > 37 75 O 0.45446424049671 0.91003428174755 0.15287639150818 15.999 > 38 76 O 0.95446424049671 0.91003428174755 0.15287639150818 15.999 > 38 *77 O 0.27749413939471 0.25000000000000 0.03662632078439 15.999 > 39 78 O 0.77749413939471 0.25000000000000 0.03662632078439 15.999 > 39 *79 O 0.39053918062984 0.95386526410293 0.60412492880684 15.999 > 40 80 O 0.89053918062984 0.95386526410293 0.60412492880684 15.999 > 40 81 O 0.13872641750193 0.56944791329032 0.57243442892921 15.999 > 41 82 O 0.63872641750193 0.56944791329032 0.57243442892921 15.999 > 41 83 O 0.10946081937016 0.45386526410292 0.39587507119316 15.999 > 42 84 O 0.60946081937016 0.45386526410292 0.39587507119316 15.999 > 42 *85 O 0.44324901937728 0.25000000000000 0.04403017205777 15.999 > 43 86 O 0.94324901937728 0.25000000000000 0.04403017205777 15.999 > 43 87 O 0.35772281342380 0.25000000000000 0.25291507195926 15.999 > 44 88 O 0.85772281342380 0.25000000000000 0.25291507195926 15.999 > 44 89 O 0.14053918062984 0.54613473589707 0.89587507119316 15.999 > 45 90 O 0.64053918062984 0.54613473589707 0.89587507119316 15.999 > 45 91 O 0.20446424049671 0.58996571825245 0.34712360849182 15.999 > 46 92 O 0.70446424049671 0.58996571825245 0.34712360849182 15.999 > 46 93 O 0.39053918062984 0.54613473589707 0.60412492880684 15.999 > 47 94 O 0.89053918062984 0.54613473589707 0.60412492880684 15.999 > 47 95 O 0.22250586060529 0.75000000000000 0.96337367921561 15.999 > 48 96 O 0.72250586060529 0.75000000000000 0.96337367921561 15.999 > 48 97 O 0.14053918062984 0.95386526410293 0.89587507119316 15.999 > 49 98 O 0.64053918062984 0.95386526410293 0.89587507119316 15.999 > 49 99 O 0.39227718657620 0.75000000000000 0.75291507195926 15.999 > 50 100 O 0.89227718657620 0.75000000000000 0.75291507195926 15.999 > 50 101 O 0.02749413939471 0.25000000000000 0.46337367921561 15.999 > 51 102 O 0.52749413939471 0.25000000000000 0.46337367921561 15.999 > 51 103 O 0.04553575950329 0.08996571825245 0.84712360849182 15.999 > 52 104 O 0.54553575950329 0.08996571825245 0.84712360849182 15.999 > 52 105 O 0.20446424049671 0.91003428174755 0.34712360849182 15.999 > 53 106 O 0.70446424049671 0.91003428174755 0.34712360849182 15.999 > 53 107 O 0.19324901937728 0.25000000000000 0.45596982794223 15.999 > 54 108 O 0.69324901937728 0.25000000000000 0.45596982794223 15.999 > 54 109 O 0.35946081937016 0.45386526410292 0.10412492880684 15.999 > 55 110 O 0.85946081937016 0.45386526410292 0.10412492880684 15.999 > 55 111 O 0.30675098062272 0.75000000000000 0.54403017205777 15.999 > 56 112 O 0.80675098062272 0.75000000000000 0.54403017205777 15.999 > 56 113 O 0.13872641750193 0.93055208670968 0.57243442892921 15.999 > 57 114 O 0.63872641750193 0.93055208670968 0.57243442892921 15.999 > 57 115 O 0.05675098062273 0.75000000000000 0.95596982794223 15.999 > 58 116 O 0.55675098062272 0.75000000000000 0.95596982794223 15.999 > 58 117 O 0.29553575950329 0.08996571825245 0.65287639150818 15.999 > 59 118 O 0.79553575950329 0.08996571825245 0.65287639150818 15.999 > 59 119 O 0.10946081937016 0.04613473589708 0.39587507119316 15.999 > 60 120 O 0.60946081937016 0.04613473589708 0.39587507119316 15.999 > 60 121 O 0.14227718657620 0.75000000000000 0.74708492804074 15.999 > 61 122 O 0.64227718657620 0.75000000000000 0.74708492804074 15.999 > 61 123 O 0.35946081937016 0.04613473589708 0.10412492880684 15.999 > 62 124 O 0.85946081937016 0.04613473589708 0.10412492880684 15.999 > 62 125 O 0.38872641750193 0.56944791329032 0.92756557107079 15.999 > 63 126 O 0.88872641750193 0.56944791329032 0.92756557107079 15.999 > 63 127 O 0.36127358249807 0.06944791329032 0.42756557107079 15.999 > 64 128 O 0.86127358249807 0.06944791329032 0.42756557107079 15.999 > 64 129 O 0.11127358249807 0.43055208670968 0.07243442892921 15.999 > 65 130 O 0.61127358249807 0.43055208670968 0.07243442892921 15.999 > 65 131 O 0.45446424049671 0.58996571825245 0.15287639150818 15.999 > 66 132 O 0.95446424049671 0.58996571825245 0.15287639150818 15.999 > 66 133 O 0.47250586060529 0.75000000000000 0.53662632078439 15.999 > 67 134 O 0.97250586060529 0.75000000000000 0.53662632078439 15.999 > 67 135 O 0.04553575950329 0.41003428174755 0.84712360849182 15.999 > 68 136 O 0.54553575950329 0.41003428174755 0.84712360849182 15.999 > 68 *137 F 0.18174402746470 0.25000000000000 0.76436617952028 18.998 > 69 138 F 0.68174402746470 0.25000000000000 0.76436617952028 18.998 > 69 139 F 0.43174402746470 0.25000000000000 0.73563382047972 18.998 > 70 140 F 0.93174402746470 0.25000000000000 0.73563382047972 18.998 > 70 141 F 0.31825597253530 0.75000000000000 0.23563382047972 18.998 > 71 142 F 0.81825597253530 0.75000000000000 0.23563382047972 18.998 > 71 143 F 0.06825597253530 0.75000000000000 0.26436617952028 18.998 > 72 144 F 0.56825597253530 0.75000000000000 0.26436617952028 18.998 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9899786 0.0000000 0.0000000 0.0000000 3.0472513 0.0000000 0.0000000 0.0000000 3.1138799 -------------------------- Born effective charges -------------------------- 1 Sr 2.6371480 0.0000000 0.0818203 -0.0000000 2.5641899 0.0000000 0.0961450 -0.0000000 2.4970619 2 Sr 2.1638649 0.0349584 -0.0836223 0.0090865 2.4773284 -0.0364258 -0.1097913 0.0019274 2.6452991 3 Sr 2.6821538 -0.0988211 -0.1823218 -0.0303284 2.3396976 0.0192078 -0.0800655 0.0556525 2.3362878 4 Sr 2.1638649 -0.0349584 0.0836223 -0.0090865 2.4773284 -0.0364258 0.1097913 0.0019274 2.6452991 5 Sr 2.6821538 -0.0988211 0.1823218 -0.0303284 2.3396976 -0.0192078 0.0800655 -0.0556525 2.3362878 6 Sr 2.6821538 0.0988211 0.1823218 0.0303284 2.3396976 0.0192078 0.0800655 0.0556525 2.3362878 7 Sr 2.1638649 0.0349584 -0.0836223 0.0090865 2.4773284 -0.0364258 -0.1097913 0.0019274 2.6452991 8 Sr 2.6821538 -0.0988211 -0.1823218 -0.0303284 2.3396976 0.0192078 -0.0800655 0.0556525 2.3362878 9 Sr 2.1638649 -0.0349584 0.0836223 -0.0090865 2.4773284 -0.0364258 0.1097913 0.0019274 2.6452991 10 Sr 2.1638649 0.0349584 0.0836223 0.0090865 2.4773284 0.0364258 0.1097913 -0.0019274 2.6452991 11 Sr 2.1638649 0.0349584 0.0836223 0.0090865 2.4773284 0.0364258 0.1097913 -0.0019274 2.6452991 12 Sr 2.6371480 0.0000000 -0.0818203 -0.0000000 2.5641899 0.0000000 -0.0961450 -0.0000000 2.4970619 13 Sr 2.6821538 -0.0988211 0.1823218 -0.0303284 2.3396976 -0.0192078 0.0800655 -0.0556525 2.3362878 14 Sr 2.6371480 0.0000000 -0.0818203 -0.0000000 2.5641899 0.0000000 -0.0961450 -0.0000000 2.4970619 15 Sr 2.1638649 -0.0349584 -0.0836223 -0.0090865 2.4773284 0.0364258 -0.1097913 -0.0019274 2.6452991 16 Sr 2.6821538 0.0988211 -0.1823218 0.0303284 2.3396976 -0.0192078 -0.0800655 -0.0556525 2.3362878 17 Sr 2.6821538 0.0988211 0.1823218 0.0303284 2.3396976 0.0192078 0.0800655 0.0556525 2.3362878 18 Sr 2.6821538 0.0988211 -0.1823218 0.0303284 2.3396976 -0.0192078 -0.0800655 -0.0556525 2.3362878 19 Sr 2.1638649 -0.0349584 -0.0836223 -0.0090865 2.4773284 0.0364258 -0.1097913 -0.0019274 2.6452991 20 Sr 2.6371480 0.0000000 0.0818203 -0.0000000 2.5641899 0.0000000 0.0961450 -0.0000000 2.4970619 21 B 1.0286957 0.8663882 0.5118316 0.9271946 2.0613022 -0.4785796 0.4717242 -0.4480423 2.4999510 22 B 2.4436463 0.0000000 0.0419842 -0.0000000 0.7429198 0.0000000 0.0769544 -0.0000000 2.3577966 23 B 2.4436463 0.0000000 -0.0419842 -0.0000000 0.7429198 0.0000000 -0.0769544 -0.0000000 2.3577966 24 B 1.0286957 -0.8663882 -0.5118316 -0.9271946 2.0613022 -0.4785796 -0.4717242 -0.4480423 2.4999510 25 B 1.0286957 0.8663882 0.5118316 0.9271946 2.0613022 -0.4785796 0.4717242 -0.4480423 2.4999510 26 B 1.0286957 -0.8663882 0.5118316 -0.9271946 2.0613022 0.4785796 0.4717242 0.4480423 2.4999510 27 B 1.0286957 -0.8663882 -0.5118316 -0.9271946 2.0613022 -0.4785796 -0.4717242 -0.4480423 2.4999510 28 B 1.0286957 0.8663882 -0.5118316 0.9271946 2.0613022 0.4785796 -0.4717242 0.4480423 2.4999510 29 B 1.0286957 0.8663882 -0.5118316 0.9271946 2.0613022 0.4785796 -0.4717242 0.4480423 2.4999510 30 B 2.4436463 0.0000000 0.0419842 -0.0000000 0.7429198 0.0000000 0.0769544 -0.0000000 2.3577966 31 B 1.0286957 -0.8663882 0.5118316 -0.9271946 2.0613022 0.4785796 0.4717242 0.4480423 2.4999510 32 B 2.4436463 0.0000000 -0.0419842 -0.0000000 0.7429198 0.0000000 -0.0769544 -0.0000000 2.3577966 33 O -1.6815558 0.0000000 -0.0553621 -0.0000000 -1.5563113 0.0000000 -0.0430314 -0.0000000 -2.3307705 34 O -1.3472564 -0.0212682 -0.2393898 0.0142720 -1.7543441 -0.4216802 -0.2519060 -0.4250818 -2.4679876 35 O -1.3472564 -0.0212682 -0.2393898 0.0142720 -1.7543441 -0.4216802 -0.2519060 -0.4250818 -2.4679876 36 O -1.3472564 0.0212682 0.2393898 -0.0142720 -1.7543441 -0.4216802 0.2519060 -0.4250818 -2.4679876 37 O -1.7355209 -0.2843539 0.2105521 -0.3385593 -1.7028720 0.1998382 0.2211154 0.2012145 -1.9699691 38 O -1.7355209 0.2843539 -0.2105521 0.3385593 -1.7028720 0.1998382 -0.2211154 0.2012145 -1.9699691 39 O -2.3907500 0.0000000 -0.2873433 -0.0000000 -1.3389392 0.0000000 -0.2798735 -0.0000000 -1.6748476 40 O -1.5824515 0.4338185 -0.1935485 0.5470671 -2.1920293 0.4056768 -0.2413968 0.4022681 -1.8134006 41 O -1.3472564 0.0212682 0.2393898 -0.0142720 -1.7543441 -0.4216802 0.2519060 -0.4250818 -2.4679876 42 O -1.5824515 -0.4338185 -0.1935485 -0.5470671 -2.1920293 -0.4056768 -0.2413968 -0.4022681 -1.8134006 43 O -2.4072787 0.0000000 0.3578104 -0.0000000 -1.4757566 0.0000000 0.3621192 -0.0000000 -1.7267202 44 O -1.6815558 0.0000000 0.0553621 -0.0000000 -1.5563113 0.0000000 0.0430314 -0.0000000 -2.3307705 45 O -1.5824515 -0.4338185 0.1935485 -0.5470671 -2.1920293 0.4056768 0.2413968 0.4022681 -1.8134006 46 O -1.7355209 -0.2843539 0.2105521 -0.3385593 -1.7028720 0.1998382 0.2211154 0.2012145 -1.9699691 47 O -1.5824515 -0.4338185 -0.1935485 -0.5470671 -2.1920293 -0.4056768 -0.2413968 -0.4022681 -1.8134006 48 O -2.3907500 0.0000000 -0.2873433 -0.0000000 -1.3389392 0.0000000 -0.2798735 -0.0000000 -1.6748476 49 O -1.5824515 0.4338185 0.1935485 0.5470671 -2.1920293 -0.4056768 0.2413968 -0.4022681 -1.8134006 50 O -1.6815558 0.0000000 -0.0553621 -0.0000000 -1.5563113 0.0000000 -0.0430314 -0.0000000 -2.3307705 51 O -2.3907500 0.0000000 0.2873433 -0.0000000 -1.3389392 0.0000000 0.2798735 -0.0000000 -1.6748476 52 O -1.7355209 0.2843539 -0.2105521 0.3385593 -1.7028720 0.1998382 -0.2211154 0.2012145 -1.9699691 53 O -1.7355209 0.2843539 0.2105521 0.3385593 -1.7028720 -0.1998382 0.2211154 -0.2012145 -1.9699691 54 O -2.4072787 0.0000000 -0.3578104 -0.0000000 -1.4757566 0.0000000 -0.3621192 -0.0000000 -1.7267202 55 O -1.5824515 -0.4338185 0.1935485 -0.5470671 -2.1920293 0.4056768 0.2413968 0.4022681 -1.8134006 56 O -2.4072787 0.0000000 -0.3578104 -0.0000000 -1.4757566 0.0000000 -0.3621192 -0.0000000 -1.7267202 57 O -1.3472564 -0.0212682 0.2393898 0.0142720 -1.7543441 0.4216802 0.2519060 0.4250818 -2.4679876 58 O -2.4072787 0.0000000 0.3578104 -0.0000000 -1.4757566 0.0000000 0.3621192 -0.0000000 -1.7267202 59 O -1.7355209 0.2843539 0.2105521 0.3385593 -1.7028720 -0.1998382 0.2211154 -0.2012145 -1.9699691 60 O -1.5824515 0.4338185 -0.1935485 0.5470671 -2.1920293 0.4056768 -0.2413968 0.4022681 -1.8134006 61 O -1.6815558 0.0000000 0.0553621 -0.0000000 -1.5563113 0.0000000 0.0430314 -0.0000000 -2.3307705 62 O -1.5824515 0.4338185 0.1935485 0.5470671 -2.1920293 -0.4056768 0.2413968 -0.4022681 -1.8134006 63 O -1.3472564 0.0212682 -0.2393898 -0.0142720 -1.7543441 0.4216802 -0.2519060 0.4250818 -2.4679876 64 O -1.3472564 -0.0212682 0.2393898 0.0142720 -1.7543441 0.4216802 0.2519060 0.4250818 -2.4679876 65 O -1.3472564 0.0212682 -0.2393898 -0.0142720 -1.7543441 0.4216802 -0.2519060 0.4250818 -2.4679876 66 O -1.7355209 -0.2843539 -0.2105521 -0.3385593 -1.7028720 -0.1998382 -0.2211154 -0.2012145 -1.9699691 67 O -2.3907500 0.0000000 0.2873433 -0.0000000 -1.3389392 0.0000000 0.2798735 -0.0000000 -1.6748476 68 O -1.7355209 -0.2843539 -0.2105521 -0.3385593 -1.7028720 -0.1998382 -0.2211154 -0.2012145 -1.9699691 69 F -1.0201809 0.0000000 0.0765560 -0.0000000 -1.3942684 0.0000000 0.0219561 -0.0000000 -1.5828815 70 F -1.0201809 0.0000000 -0.0765560 -0.0000000 -1.3942684 0.0000000 -0.0219561 -0.0000000 -1.5828815 71 F -1.0201809 0.0000000 0.0765560 -0.0000000 -1.3942684 0.0000000 0.0219561 -0.0000000 -1.5828815 72 F -1.0201809 0.0000000 -0.0765560 -0.0000000 -1.3942684 0.0000000 -0.0219561 -0.0000000 -1.5828815 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6066 Number of blocks in projector: 6066 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: 1440 Use submatrix version of eigh solver. (1) Block: 500 / 1440 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1440 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1440 / 1440 (1) 418 eigenvectors found. (1) Complementary block size: 70 (1) Compute compressed projector. (1) Use standard solver. (1) 46 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1152 / 1152 (1) 141 eigenvectors found. (1) Complementary block size: 35 (1) Compute compressed projector. (1) Use standard solver. (1) 23 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1152 / 1152 (1) 144 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 774 Use submatrix version of eigh solver. (1) Block: 500 / 774 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 774 / 774 (1) 262 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 774 Use submatrix version of eigh solver. (1) Block: 500 / 774 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 774 / 774 (1) 262 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 774 Use submatrix version of eigh solver. (1) Block: 500 / 774 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 774 / 774 (1) 262 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (6066, 5982), data: False |-- (774, 762), data: False |-- (774, 12), data: (774, 24) @ (24, 12) |-- (274, 262), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (774, 762), data: False |-- (774, 12), data: (774, 24) @ (24, 12) |-- (274, 262), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (774, 762), data: False |-- (774, 12), data: (774, 24) @ (24, 12) |-- (274, 262), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1140), data: False |-- (1152, 20), data: (1152, 32) @ (32, 20) |-- (152, 144), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (1152, 1140), data: False |-- (1152, 23), data: (1152, 35) @ (35, 23) |-- (152, 141), data: True |-- (500, 488), data: False |-- (500, 9), data: (500, 21) @ (21, 9) |-- (250, 239), data: True |-- (250, 240), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (1440, 1416), data: False |-- (1440, 46), data: (1440, 70) @ (70, 46) |-- (440, 418), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 476), data: False |-- (500, 23), data: (500, 47) @ (47, 23) |-- (250, 227), data: True |-- (250, 226), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 1120 - Time: 2.251 Solver_block: 200 / 1120 - Time: 2.133 Solver_block: 300 / 1120 - Time: 2.133 Solver_block: 400 / 1120 - Time: 2.134 Solver_block: 500 / 1120 - Time: 2.135 Solver_block: 600 / 1120 - Time: 2.135 Solver_block: 700 / 1120 - Time: 2.137 Solver_block: 800 / 1120 - Time: 2.134 Solver_block: 900 / 1120 - Time: 2.131 Solver_block: 1000 / 1120 - Time: 2.134 Solver_block: 1100 / 1120 - Time: 2.135 Solver_block: 1120 / 1120 - Time: 0.623 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 24.880 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xz) 0.00000000 (xz) Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6066 Number of blocks in projector: 6066 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: 1440 Use submatrix version of eigh solver. (1) Block: 500 / 1440 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1440 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1440 / 1440 (1) 418 eigenvectors found. (1) Complementary block size: 70 (1) Compute compressed projector. (1) Use standard solver. (1) 46 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1152 / 1152 (1) 141 eigenvectors found. (1) Complementary block size: 35 (1) Compute compressed projector. (1) Use standard solver. (1) 23 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1152 / 1152 (1) 144 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 774 Use submatrix version of eigh solver. (1) Block: 500 / 774 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 774 / 774 (1) 262 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 774 Use submatrix version of eigh solver. (1) Block: 500 / 774 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 774 / 774 (1) 262 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 774 Use submatrix version of eigh solver. (1) Block: 500 / 774 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 774 / 774 (1) 262 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (6066, 5982), data: False |-- (774, 762), data: False |-- (774, 12), data: (774, 24) @ (24, 12) |-- (274, 262), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (774, 762), data: False |-- (774, 12), data: (774, 24) @ (24, 12) |-- (274, 262), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (774, 762), data: False |-- (774, 12), data: (774, 24) @ (24, 12) |-- (274, 262), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1140), data: False |-- (1152, 20), data: (1152, 32) @ (32, 20) |-- (152, 144), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (1152, 1140), data: False |-- (1152, 23), data: (1152, 35) @ (35, 23) |-- (152, 141), data: True |-- (500, 488), data: False |-- (500, 9), data: (500, 21) @ (21, 9) |-- (250, 239), data: True |-- (250, 240), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (1440, 1416), data: False |-- (1440, 46), data: (1440, 70) @ (70, 46) |-- (440, 418), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 476), data: False |-- (500, 23), data: (500, 47) @ (47, 23) |-- (250, 227), data: True |-- (250, 226), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xz) -0.00000000 (xz) 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 16:25:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:25:07]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.210214390000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.003708680000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.785153469999997 Atomic positions (fractional): 1 Sr 0.28873024077936 0.75000000000000 0.48092130051183 87.620 2 Sr 0.25279006418348 0.11993850708612 0.62598108159268 87.620 3 Sr 0.47113060853783 0.38715682617428 0.24663743749503 87.620 4 Sr 0.24720993581652 0.61993850708612 0.12598108159269 87.620 5 Sr 0.97113060853783 0.38715682617428 0.25336256250497 87.620 6 Sr 0.02886939146217 0.88715682617428 0.74663743749503 87.620 7 Sr 0.74720993581652 0.88006149291388 0.37401891840731 87.620 8 Sr 0.52886939146217 0.61284317382572 0.75336256250497 87.620 9 Sr 0.75279006418348 0.38006149291388 0.87401891840732 87.620 10 Sr 0.24720993581652 0.88006149291388 0.12598108159269 87.620 11 Sr 0.75279006418348 0.11993850708612 0.87401891840732 87.620 12 Sr 0.78873024077936 0.75000000000000 0.01907869948817 87.620 13 Sr 0.02886939146217 0.61284317382572 0.74663743749503 87.620 14 Sr 0.21126975922064 0.25000000000000 0.98092130051183 87.620 15 Sr 0.74720993581652 0.61993850708612 0.37401891840731 87.620 16 Sr 0.52886939146217 0.88715682617428 0.75336256250497 87.620 17 Sr 0.97113060853783 0.11284317382572 0.25336256250497 87.620 18 Sr 0.47113060853783 0.11284317382572 0.24663743749503 87.620 19 Sr 0.25279006418348 0.38006149291388 0.62598108159268 87.620 20 Sr 0.71126975922064 0.25000000000000 0.51907869948817 87.620 21 B 0.19883640479269 0.46168268983708 0.93844093590236 10.811 22 B 0.21780473263960 0.25000000000000 0.38946238667417 10.811 23 B 0.71780473263960 0.25000000000000 0.11053761332583 10.811 24 B 0.30116359520731 0.96168268983708 0.43844093590236 10.811 25 B 0.80116359520731 0.53831731016292 0.06155906409764 10.811 26 B 0.19883640479269 0.03831731016292 0.93844093590236 10.811 27 B 0.69883640479269 0.03831731016292 0.56155906409764 10.811 28 B 0.69883640479269 0.46168268983708 0.56155906409764 10.811 29 B 0.30116359520731 0.53831731016292 0.43844093590236 10.811 30 B 0.78219526736040 0.75000000000000 0.61053761332583 10.811 31 B 0.80116359520731 0.96168268983708 0.06155906409764 10.811 32 B 0.28219526736040 0.75000000000000 0.88946238667417 10.811 33 O 0.21544562684760 0.25000000000000 0.24708492804074 15.999 34 O 0.22254716499614 0.06944791329032 0.07243442892921 15.999 35 O 0.77745283500386 0.93055208670968 0.92756557107079 15.999 36 O 0.72254716499614 0.43055208670968 0.42756557107079 15.999 37 O 0.59107151900658 0.41003428174755 0.65287639150818 15.999 38 O 0.90892848099342 0.91003428174755 0.15287639150818 15.999 39 O 0.55498827878942 0.25000000000000 0.03662632078439 15.999 40 O 0.78107836125968 0.95386526410293 0.60412492880684 15.999 41 O 0.27745283500386 0.56944791329032 0.57243442892921 15.999 42 O 0.21892163874032 0.45386526410292 0.39587507119316 15.999 43 O 0.88649803875455 0.25000000000000 0.04403017205777 15.999 44 O 0.71544562684760 0.25000000000000 0.25291507195926 15.999 45 O 0.28107836125968 0.54613473589707 0.89587507119316 15.999 46 O 0.40892848099342 0.58996571825245 0.34712360849182 15.999 47 O 0.78107836125968 0.54613473589707 0.60412492880684 15.999 48 O 0.44501172121058 0.75000000000000 0.96337367921561 15.999 49 O 0.28107836125968 0.95386526410293 0.89587507119316 15.999 50 O 0.78455437315240 0.75000000000000 0.75291507195926 15.999 51 O 0.05498827878942 0.25000000000000 0.46337367921561 15.999 52 O 0.09107151900658 0.08996571825245 0.84712360849182 15.999 53 O 0.40892848099342 0.91003428174755 0.34712360849182 15.999 54 O 0.38649803875455 0.25000000000000 0.45596982794223 15.999 55 O 0.71892163874032 0.45386526410292 0.10412492880684 15.999 56 O 0.61350196124545 0.75000000000000 0.54403017205777 15.999 57 O 0.27745283500386 0.93055208670968 0.57243442892921 15.999 58 O 0.11350196124545 0.75000000000000 0.95596982794223 15.999 59 O 0.59107151900658 0.08996571825245 0.65287639150818 15.999 60 O 0.21892163874032 0.04613473589708 0.39587507119316 15.999 61 O 0.28455437315240 0.75000000000000 0.74708492804074 15.999 62 O 0.71892163874032 0.04613473589708 0.10412492880684 15.999 63 O 0.77745283500386 0.56944791329032 0.92756557107079 15.999 64 O 0.72254716499614 0.06944791329032 0.42756557107079 15.999 65 O 0.22254716499614 0.43055208670968 0.07243442892921 15.999 66 O 0.90892848099342 0.58996571825245 0.15287639150818 15.999 67 O 0.94501172121058 0.75000000000000 0.53662632078439 15.999 68 O 0.09107151900658 0.41003428174755 0.84712360849182 15.999 69 F 0.36348805492940 0.25000000000000 0.76436617952028 18.998 70 F 0.86348805492940 0.25000000000000 0.73563382047972 18.998 71 F 0.63651194507060 0.75000000000000 0.23563382047972 18.998 72 F 0.13651194507060 0.75000000000000 0.26436617952028 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.420428780000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.003708680000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.785153469999997 Atomic positions (fractional): 1 Sr 0.14436512038968 0.75000000000000 0.48092130051183 87.620 > 1 2 Sr 0.64436512038968 0.75000000000000 0.48092130051183 87.620 > 1 3 Sr 0.12639503209174 0.11993850708612 0.62598108159268 87.620 > 3 4 Sr 0.62639503209174 0.11993850708612 0.62598108159268 87.620 > 3 5 Sr 0.23556530426892 0.38715682617428 0.24663743749503 87.620 > 5 6 Sr 0.73556530426892 0.38715682617428 0.24663743749503 87.620 > 5 7 Sr 0.12360496790826 0.61993850708612 0.12598108159269 87.620 > 7 8 Sr 0.62360496790826 0.61993850708612 0.12598108159269 87.620 > 7 9 Sr 0.48556530426892 0.38715682617428 0.25336256250497 87.620 > 9 10 Sr 0.98556530426892 0.38715682617428 0.25336256250497 87.620 > 9 11 Sr 0.01443469573108 0.88715682617428 0.74663743749503 87.620 > 11 12 Sr 0.51443469573108 0.88715682617428 0.74663743749503 87.620 > 11 13 Sr 0.37360496790826 0.88006149291388 0.37401891840731 87.620 > 13 14 Sr 0.87360496790826 0.88006149291388 0.37401891840731 87.620 > 13 15 Sr 0.26443469573108 0.61284317382572 0.75336256250497 87.620 > 15 16 Sr 0.76443469573108 0.61284317382572 0.75336256250497 87.620 > 15 17 Sr 0.37639503209174 0.38006149291388 0.87401891840732 87.620 > 17 18 Sr 0.87639503209174 0.38006149291388 0.87401891840732 87.620 > 17 19 Sr 0.12360496790826 0.88006149291388 0.12598108159269 87.620 > 19 20 Sr 0.62360496790826 0.88006149291388 0.12598108159269 87.620 > 19 21 Sr 0.37639503209174 0.11993850708612 0.87401891840732 87.620 > 21 22 Sr 0.87639503209174 0.11993850708612 0.87401891840732 87.620 > 21 23 Sr 0.39436512038968 0.75000000000000 0.01907869948817 87.620 > 23 24 Sr 0.89436512038968 0.75000000000000 0.01907869948817 87.620 > 23 25 Sr 0.01443469573108 0.61284317382572 0.74663743749503 87.620 > 25 26 Sr 0.51443469573108 0.61284317382572 0.74663743749503 87.620 > 25 27 Sr 0.10563487961032 0.25000000000000 0.98092130051183 87.620 > 27 28 Sr 0.60563487961032 0.25000000000000 0.98092130051183 87.620 > 27 29 Sr 0.37360496790826 0.61993850708612 0.37401891840731 87.620 > 29 30 Sr 0.87360496790826 0.61993850708612 0.37401891840731 87.620 > 29 31 Sr 0.26443469573108 0.88715682617428 0.75336256250497 87.620 > 31 32 Sr 0.76443469573108 0.88715682617428 0.75336256250497 87.620 > 31 33 Sr 0.48556530426892 0.11284317382572 0.25336256250497 87.620 > 33 34 Sr 0.98556530426892 0.11284317382572 0.25336256250497 87.620 > 33 35 Sr 0.23556530426892 0.11284317382572 0.24663743749503 87.620 > 35 36 Sr 0.73556530426892 0.11284317382572 0.24663743749503 87.620 > 35 37 Sr 0.12639503209174 0.38006149291388 0.62598108159268 87.620 > 37 38 Sr 0.62639503209174 0.38006149291388 0.62598108159268 87.620 > 37 39 Sr 0.35563487961032 0.25000000000000 0.51907869948817 87.620 > 39 40 Sr 0.85563487961032 0.25000000000000 0.51907869948817 87.620 > 39 41 B 0.09941820239635 0.46168268983708 0.93844093590236 10.811 > 41 42 B 0.59941820239635 0.46168268983708 0.93844093590236 10.811 > 41 43 B 0.10890236631980 0.25000000000000 0.38946238667417 10.811 > 43 44 B 0.60890236631980 0.25000000000000 0.38946238667417 10.811 > 43 45 B 0.35890236631980 0.25000000000000 0.11053761332583 10.811 > 45 46 B 0.85890236631980 0.25000000000000 0.11053761332583 10.811 > 45 47 B 0.15058179760365 0.96168268983708 0.43844093590236 10.811 > 47 48 B 0.65058179760365 0.96168268983708 0.43844093590236 10.811 > 47 49 B 0.40058179760365 0.53831731016292 0.06155906409764 10.811 > 49 50 B 0.90058179760365 0.53831731016292 0.06155906409764 10.811 > 49 51 B 0.09941820239635 0.03831731016292 0.93844093590236 10.811 > 51 52 B 0.59941820239635 0.03831731016292 0.93844093590236 10.811 > 51 53 B 0.34941820239635 0.03831731016292 0.56155906409764 10.811 > 53 54 B 0.84941820239635 0.03831731016292 0.56155906409764 10.811 > 53 55 B 0.34941820239635 0.46168268983708 0.56155906409764 10.811 > 55 56 B 0.84941820239635 0.46168268983708 0.56155906409764 10.811 > 55 57 B 0.15058179760365 0.53831731016292 0.43844093590236 10.811 > 57 58 B 0.65058179760365 0.53831731016292 0.43844093590236 10.811 > 57 59 B 0.39109763368020 0.75000000000000 0.61053761332583 10.811 > 59 60 B 0.89109763368020 0.75000000000000 0.61053761332583 10.811 > 59 61 B 0.40058179760365 0.96168268983708 0.06155906409764 10.811 > 61 62 B 0.90058179760365 0.96168268983708 0.06155906409764 10.811 > 61 63 B 0.14109763368020 0.75000000000000 0.88946238667417 10.811 > 63 64 B 0.64109763368020 0.75000000000000 0.88946238667417 10.811 > 63 65 O 0.10772281342380 0.25000000000000 0.24708492804074 15.999 > 65 66 O 0.60772281342380 0.25000000000000 0.24708492804074 15.999 > 65 67 O 0.11127358249807 0.06944791329032 0.07243442892921 15.999 > 67 68 O 0.61127358249807 0.06944791329032 0.07243442892921 15.999 > 67 69 O 0.38872641750193 0.93055208670968 0.92756557107079 15.999 > 69 70 O 0.88872641750193 0.93055208670968 0.92756557107079 15.999 > 69 71 O 0.36127358249807 0.43055208670968 0.42756557107079 15.999 > 71 72 O 0.86127358249807 0.43055208670968 0.42756557107079 15.999 > 71 73 O 0.29553575950329 0.41003428174755 0.65287639150818 15.999 > 73 74 O 0.79553575950329 0.41003428174755 0.65287639150818 15.999 > 73 75 O 0.45446424049671 0.91003428174755 0.15287639150818 15.999 > 75 76 O 0.95446424049671 0.91003428174755 0.15287639150818 15.999 > 75 77 O 0.27749413939471 0.25000000000000 0.03662632078439 15.999 > 77 78 O 0.77749413939471 0.25000000000000 0.03662632078439 15.999 > 77 79 O 0.39053918062984 0.95386526410293 0.60412492880684 15.999 > 79 80 O 0.89053918062984 0.95386526410293 0.60412492880684 15.999 > 79 81 O 0.13872641750193 0.56944791329032 0.57243442892921 15.999 > 81 82 O 0.63872641750193 0.56944791329032 0.57243442892921 15.999 > 81 83 O 0.10946081937016 0.45386526410292 0.39587507119316 15.999 > 83 84 O 0.60946081937016 0.45386526410292 0.39587507119316 15.999 > 83 85 O 0.44324901937728 0.25000000000000 0.04403017205777 15.999 > 85 86 O 0.94324901937728 0.25000000000000 0.04403017205777 15.999 > 85 87 O 0.35772281342380 0.25000000000000 0.25291507195926 15.999 > 87 88 O 0.85772281342380 0.25000000000000 0.25291507195926 15.999 > 87 89 O 0.14053918062984 0.54613473589707 0.89587507119316 15.999 > 89 90 O 0.64053918062984 0.54613473589707 0.89587507119316 15.999 > 89 91 O 0.20446424049671 0.58996571825245 0.34712360849182 15.999 > 91 92 O 0.70446424049671 0.58996571825245 0.34712360849182 15.999 > 91 93 O 0.39053918062984 0.54613473589707 0.60412492880684 15.999 > 93 94 O 0.89053918062984 0.54613473589707 0.60412492880684 15.999 > 93 95 O 0.22250586060529 0.75000000000000 0.96337367921561 15.999 > 95 96 O 0.72250586060529 0.75000000000000 0.96337367921561 15.999 > 95 97 O 0.14053918062984 0.95386526410293 0.89587507119316 15.999 > 97 98 O 0.64053918062984 0.95386526410293 0.89587507119316 15.999 > 97 99 O 0.39227718657620 0.75000000000000 0.75291507195926 15.999 > 99 100 O 0.89227718657620 0.75000000000000 0.75291507195926 15.999 > 99 101 O 0.02749413939471 0.25000000000000 0.46337367921561 15.999 > 101 102 O 0.52749413939471 0.25000000000000 0.46337367921561 15.999 > 101 103 O 0.04553575950329 0.08996571825245 0.84712360849182 15.999 > 103 104 O 0.54553575950329 0.08996571825245 0.84712360849182 15.999 > 103 105 O 0.20446424049671 0.91003428174755 0.34712360849182 15.999 > 105 106 O 0.70446424049671 0.91003428174755 0.34712360849182 15.999 > 105 107 O 0.19324901937728 0.25000000000000 0.45596982794223 15.999 > 107 108 O 0.69324901937728 0.25000000000000 0.45596982794223 15.999 > 107 109 O 0.35946081937016 0.45386526410292 0.10412492880684 15.999 > 109 110 O 0.85946081937016 0.45386526410292 0.10412492880684 15.999 > 109 111 O 0.30675098062272 0.75000000000000 0.54403017205777 15.999 > 111 112 O 0.80675098062272 0.75000000000000 0.54403017205777 15.999 > 111 113 O 0.13872641750193 0.93055208670968 0.57243442892921 15.999 > 113 114 O 0.63872641750193 0.93055208670968 0.57243442892921 15.999 > 113 115 O 0.05675098062273 0.75000000000000 0.95596982794223 15.999 > 115 116 O 0.55675098062272 0.75000000000000 0.95596982794223 15.999 > 115 117 O 0.29553575950329 0.08996571825245 0.65287639150818 15.999 > 117 118 O 0.79553575950329 0.08996571825245 0.65287639150818 15.999 > 117 119 O 0.10946081937016 0.04613473589708 0.39587507119316 15.999 > 119 120 O 0.60946081937016 0.04613473589708 0.39587507119316 15.999 > 119 121 O 0.14227718657620 0.75000000000000 0.74708492804074 15.999 > 121 122 O 0.64227718657620 0.75000000000000 0.74708492804074 15.999 > 121 123 O 0.35946081937016 0.04613473589708 0.10412492880684 15.999 > 123 124 O 0.85946081937016 0.04613473589708 0.10412492880684 15.999 > 123 125 O 0.38872641750193 0.56944791329032 0.92756557107079 15.999 > 125 126 O 0.88872641750193 0.56944791329032 0.92756557107079 15.999 > 125 127 O 0.36127358249807 0.06944791329032 0.42756557107079 15.999 > 127 128 O 0.86127358249807 0.06944791329032 0.42756557107079 15.999 > 127 129 O 0.11127358249807 0.43055208670968 0.07243442892921 15.999 > 129 130 O 0.61127358249807 0.43055208670968 0.07243442892921 15.999 > 129 131 O 0.45446424049671 0.58996571825245 0.15287639150818 15.999 > 131 132 O 0.95446424049671 0.58996571825245 0.15287639150818 15.999 > 131 133 O 0.47250586060529 0.75000000000000 0.53662632078439 15.999 > 133 134 O 0.97250586060529 0.75000000000000 0.53662632078439 15.999 > 133 135 O 0.04553575950329 0.41003428174755 0.84712360849182 15.999 > 135 136 O 0.54553575950329 0.41003428174755 0.84712360849182 15.999 > 135 137 F 0.18174402746470 0.25000000000000 0.76436617952028 18.998 > 137 138 F 0.68174402746470 0.25000000000000 0.76436617952028 18.998 > 137 139 F 0.43174402746470 0.25000000000000 0.73563382047972 18.998 > 139 140 F 0.93174402746470 0.25000000000000 0.73563382047972 18.998 > 139 141 F 0.31825597253530 0.75000000000000 0.23563382047972 18.998 > 141 142 F 0.81825597253530 0.75000000000000 0.23563382047972 18.998 > 141 143 F 0.06825597253530 0.75000000000000 0.26436617952028 18.998 > 143 144 F 0.56825597253530 0.75000000000000 0.26436617952028 18.998 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9899786 0.0000000 0.0000000 0.0000000 3.0472513 0.0000000 0.0000000 0.0000000 3.1138799 -------------------------- Born effective charges -------------------------- 1 Sr 2.6371480 0.0000000 0.0818203 -0.0000000 2.5641899 0.0000000 0.0961450 -0.0000000 2.4970619 2 Sr 2.1638649 0.0349584 -0.0836223 0.0090865 2.4773284 -0.0364258 -0.1097913 0.0019274 2.6452991 3 Sr 2.6821538 -0.0988211 -0.1823218 -0.0303284 2.3396976 0.0192078 -0.0800655 0.0556525 2.3362878 4 Sr 2.1638649 -0.0349584 0.0836223 -0.0090865 2.4773284 -0.0364258 0.1097913 0.0019274 2.6452991 5 Sr 2.6821538 -0.0988211 0.1823218 -0.0303284 2.3396976 -0.0192078 0.0800655 -0.0556525 2.3362878 6 Sr 2.6821538 0.0988211 0.1823218 0.0303284 2.3396976 0.0192078 0.0800655 0.0556525 2.3362878 7 Sr 2.1638649 0.0349584 -0.0836223 0.0090865 2.4773284 -0.0364258 -0.1097913 0.0019274 2.6452991 8 Sr 2.6821538 -0.0988211 -0.1823218 -0.0303284 2.3396976 0.0192078 -0.0800655 0.0556525 2.3362878 9 Sr 2.1638649 -0.0349584 0.0836223 -0.0090865 2.4773284 -0.0364258 0.1097913 0.0019274 2.6452991 10 Sr 2.1638649 0.0349584 0.0836223 0.0090865 2.4773284 0.0364258 0.1097913 -0.0019274 2.6452991 11 Sr 2.1638649 0.0349584 0.0836223 0.0090865 2.4773284 0.0364258 0.1097913 -0.0019274 2.6452991 12 Sr 2.6371480 0.0000000 -0.0818203 -0.0000000 2.5641899 0.0000000 -0.0961450 -0.0000000 2.4970619 13 Sr 2.6821538 -0.0988211 0.1823218 -0.0303284 2.3396976 -0.0192078 0.0800655 -0.0556525 2.3362878 14 Sr 2.6371480 0.0000000 -0.0818203 -0.0000000 2.5641899 0.0000000 -0.0961450 -0.0000000 2.4970619 15 Sr 2.1638649 -0.0349584 -0.0836223 -0.0090865 2.4773284 0.0364258 -0.1097913 -0.0019274 2.6452991 16 Sr 2.6821538 0.0988211 -0.1823218 0.0303284 2.3396976 -0.0192078 -0.0800655 -0.0556525 2.3362878 17 Sr 2.6821538 0.0988211 0.1823218 0.0303284 2.3396976 0.0192078 0.0800655 0.0556525 2.3362878 18 Sr 2.6821538 0.0988211 -0.1823218 0.0303284 2.3396976 -0.0192078 -0.0800655 -0.0556525 2.3362878 19 Sr 2.1638649 -0.0349584 -0.0836223 -0.0090865 2.4773284 0.0364258 -0.1097913 -0.0019274 2.6452991 20 Sr 2.6371480 0.0000000 0.0818203 -0.0000000 2.5641899 0.0000000 0.0961450 -0.0000000 2.4970619 21 B 1.0286957 0.8663882 0.5118316 0.9271946 2.0613022 -0.4785796 0.4717242 -0.4480423 2.4999510 22 B 2.4436463 0.0000000 0.0419842 -0.0000000 0.7429198 0.0000000 0.0769544 -0.0000000 2.3577966 23 B 2.4436463 0.0000000 -0.0419842 -0.0000000 0.7429198 0.0000000 -0.0769544 -0.0000000 2.3577966 24 B 1.0286957 -0.8663882 -0.5118316 -0.9271946 2.0613022 -0.4785796 -0.4717242 -0.4480423 2.4999510 25 B 1.0286957 0.8663882 0.5118316 0.9271946 2.0613022 -0.4785796 0.4717242 -0.4480423 2.4999510 26 B 1.0286957 -0.8663882 0.5118316 -0.9271946 2.0613022 0.4785796 0.4717242 0.4480423 2.4999510 27 B 1.0286957 -0.8663882 -0.5118316 -0.9271946 2.0613022 -0.4785796 -0.4717242 -0.4480423 2.4999510 28 B 1.0286957 0.8663882 -0.5118316 0.9271946 2.0613022 0.4785796 -0.4717242 0.4480423 2.4999510 29 B 1.0286957 0.8663882 -0.5118316 0.9271946 2.0613022 0.4785796 -0.4717242 0.4480423 2.4999510 30 B 2.4436463 0.0000000 0.0419842 -0.0000000 0.7429198 0.0000000 0.0769544 -0.0000000 2.3577966 31 B 1.0286957 -0.8663882 0.5118316 -0.9271946 2.0613022 0.4785796 0.4717242 0.4480423 2.4999510 32 B 2.4436463 0.0000000 -0.0419842 -0.0000000 0.7429198 0.0000000 -0.0769544 -0.0000000 2.3577966 33 O -1.6815558 0.0000000 -0.0553621 -0.0000000 -1.5563113 0.0000000 -0.0430314 -0.0000000 -2.3307705 34 O -1.3472564 -0.0212682 -0.2393898 0.0142720 -1.7543441 -0.4216802 -0.2519060 -0.4250818 -2.4679876 35 O -1.3472564 -0.0212682 -0.2393898 0.0142720 -1.7543441 -0.4216802 -0.2519060 -0.4250818 -2.4679876 36 O -1.3472564 0.0212682 0.2393898 -0.0142720 -1.7543441 -0.4216802 0.2519060 -0.4250818 -2.4679876 37 O -1.7355209 -0.2843539 0.2105521 -0.3385593 -1.7028720 0.1998382 0.2211154 0.2012145 -1.9699691 38 O -1.7355209 0.2843539 -0.2105521 0.3385593 -1.7028720 0.1998382 -0.2211154 0.2012145 -1.9699691 39 O -2.3907500 0.0000000 -0.2873433 -0.0000000 -1.3389392 0.0000000 -0.2798735 -0.0000000 -1.6748476 40 O -1.5824515 0.4338185 -0.1935485 0.5470671 -2.1920293 0.4056768 -0.2413968 0.4022681 -1.8134006 41 O -1.3472564 0.0212682 0.2393898 -0.0142720 -1.7543441 -0.4216802 0.2519060 -0.4250818 -2.4679876 42 O -1.5824515 -0.4338185 -0.1935485 -0.5470671 -2.1920293 -0.4056768 -0.2413968 -0.4022681 -1.8134006 43 O -2.4072787 0.0000000 0.3578104 -0.0000000 -1.4757566 0.0000000 0.3621192 -0.0000000 -1.7267202 44 O -1.6815558 0.0000000 0.0553621 -0.0000000 -1.5563113 0.0000000 0.0430314 -0.0000000 -2.3307705 45 O -1.5824515 -0.4338185 0.1935485 -0.5470671 -2.1920293 0.4056768 0.2413968 0.4022681 -1.8134006 46 O -1.7355209 -0.2843539 0.2105521 -0.3385593 -1.7028720 0.1998382 0.2211154 0.2012145 -1.9699691 47 O -1.5824515 -0.4338185 -0.1935485 -0.5470671 -2.1920293 -0.4056768 -0.2413968 -0.4022681 -1.8134006 48 O -2.3907500 0.0000000 -0.2873433 -0.0000000 -1.3389392 0.0000000 -0.2798735 -0.0000000 -1.6748476 49 O -1.5824515 0.4338185 0.1935485 0.5470671 -2.1920293 -0.4056768 0.2413968 -0.4022681 -1.8134006 50 O -1.6815558 0.0000000 -0.0553621 -0.0000000 -1.5563113 0.0000000 -0.0430314 -0.0000000 -2.3307705 51 O -2.3907500 0.0000000 0.2873433 -0.0000000 -1.3389392 0.0000000 0.2798735 -0.0000000 -1.6748476 52 O -1.7355209 0.2843539 -0.2105521 0.3385593 -1.7028720 0.1998382 -0.2211154 0.2012145 -1.9699691 53 O -1.7355209 0.2843539 0.2105521 0.3385593 -1.7028720 -0.1998382 0.2211154 -0.2012145 -1.9699691 54 O -2.4072787 0.0000000 -0.3578104 -0.0000000 -1.4757566 0.0000000 -0.3621192 -0.0000000 -1.7267202 55 O -1.5824515 -0.4338185 0.1935485 -0.5470671 -2.1920293 0.4056768 0.2413968 0.4022681 -1.8134006 56 O -2.4072787 0.0000000 -0.3578104 -0.0000000 -1.4757566 0.0000000 -0.3621192 -0.0000000 -1.7267202 57 O -1.3472564 -0.0212682 0.2393898 0.0142720 -1.7543441 0.4216802 0.2519060 0.4250818 -2.4679876 58 O -2.4072787 0.0000000 0.3578104 -0.0000000 -1.4757566 0.0000000 0.3621192 -0.0000000 -1.7267202 59 O -1.7355209 0.2843539 0.2105521 0.3385593 -1.7028720 -0.1998382 0.2211154 -0.2012145 -1.9699691 60 O -1.5824515 0.4338185 -0.1935485 0.5470671 -2.1920293 0.4056768 -0.2413968 0.4022681 -1.8134006 61 O -1.6815558 0.0000000 0.0553621 -0.0000000 -1.5563113 0.0000000 0.0430314 -0.0000000 -2.3307705 62 O -1.5824515 0.4338185 0.1935485 0.5470671 -2.1920293 -0.4056768 0.2413968 -0.4022681 -1.8134006 63 O -1.3472564 0.0212682 -0.2393898 -0.0142720 -1.7543441 0.4216802 -0.2519060 0.4250818 -2.4679876 64 O -1.3472564 -0.0212682 0.2393898 0.0142720 -1.7543441 0.4216802 0.2519060 0.4250818 -2.4679876 65 O -1.3472564 0.0212682 -0.2393898 -0.0142720 -1.7543441 0.4216802 -0.2519060 0.4250818 -2.4679876 66 O -1.7355209 -0.2843539 -0.2105521 -0.3385593 -1.7028720 -0.1998382 -0.2211154 -0.2012145 -1.9699691 67 O -2.3907500 0.0000000 0.2873433 -0.0000000 -1.3389392 0.0000000 0.2798735 -0.0000000 -1.6748476 68 O -1.7355209 -0.2843539 -0.2105521 -0.3385593 -1.7028720 -0.1998382 -0.2211154 -0.2012145 -1.9699691 69 F -1.0201809 0.0000000 0.0765560 -0.0000000 -1.3942684 0.0000000 0.0219561 -0.0000000 -1.5828815 70 F -1.0201809 0.0000000 -0.0765560 -0.0000000 -1.3942684 0.0000000 -0.0219561 -0.0000000 -1.5828815 71 F -1.0201809 0.0000000 0.0765560 -0.0000000 -1.3942684 0.0000000 0.0219561 -0.0000000 -1.5828815 72 F -1.0201809 0.0000000 -0.0765560 -0.0000000 -1.3942684 0.0000000 -0.0219561 -0.0000000 -1.5828815 ---------------------------------------------------------------------------- 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[ 3, 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[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 77, 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[ 79, 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[ 85, 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[ 137, 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 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:26:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:26:38]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.210214390000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.003708680000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.785153469999997 Atomic positions (fractional): 1 Sr 0.28873024077936 0.75000000000000 0.48092130051183 87.620 2 Sr 0.25279006418348 0.11993850708612 0.62598108159268 87.620 3 Sr 0.47113060853783 0.38715682617428 0.24663743749503 87.620 4 Sr 0.24720993581652 0.61993850708612 0.12598108159269 87.620 5 Sr 0.97113060853783 0.38715682617428 0.25336256250497 87.620 6 Sr 0.02886939146217 0.88715682617428 0.74663743749503 87.620 7 Sr 0.74720993581652 0.88006149291388 0.37401891840731 87.620 8 Sr 0.52886939146217 0.61284317382572 0.75336256250497 87.620 9 Sr 0.75279006418348 0.38006149291388 0.87401891840732 87.620 10 Sr 0.24720993581652 0.88006149291388 0.12598108159269 87.620 11 Sr 0.75279006418348 0.11993850708612 0.87401891840732 87.620 12 Sr 0.78873024077936 0.75000000000000 0.01907869948817 87.620 13 Sr 0.02886939146217 0.61284317382572 0.74663743749503 87.620 14 Sr 0.21126975922064 0.25000000000000 0.98092130051183 87.620 15 Sr 0.74720993581652 0.61993850708612 0.37401891840731 87.620 16 Sr 0.52886939146217 0.88715682617428 0.75336256250497 87.620 17 Sr 0.97113060853783 0.11284317382572 0.25336256250497 87.620 18 Sr 0.47113060853783 0.11284317382572 0.24663743749503 87.620 19 Sr 0.25279006418348 0.38006149291388 0.62598108159268 87.620 20 Sr 0.71126975922064 0.25000000000000 0.51907869948817 87.620 21 B 0.19883640479269 0.46168268983708 0.93844093590236 10.811 22 B 0.21780473263960 0.25000000000000 0.38946238667417 10.811 23 B 0.71780473263960 0.25000000000000 0.11053761332583 10.811 24 B 0.30116359520731 0.96168268983708 0.43844093590236 10.811 25 B 0.80116359520731 0.53831731016292 0.06155906409764 10.811 26 B 0.19883640479269 0.03831731016292 0.93844093590236 10.811 27 B 0.69883640479269 0.03831731016292 0.56155906409764 10.811 28 B 0.69883640479269 0.46168268983708 0.56155906409764 10.811 29 B 0.30116359520731 0.53831731016292 0.43844093590236 10.811 30 B 0.78219526736040 0.75000000000000 0.61053761332583 10.811 31 B 0.80116359520731 0.96168268983708 0.06155906409764 10.811 32 B 0.28219526736040 0.75000000000000 0.88946238667417 10.811 33 O 0.21544562684760 0.25000000000000 0.24708492804074 15.999 34 O 0.22254716499614 0.06944791329032 0.07243442892921 15.999 35 O 0.77745283500386 0.93055208670968 0.92756557107079 15.999 36 O 0.72254716499614 0.43055208670968 0.42756557107079 15.999 37 O 0.59107151900658 0.41003428174755 0.65287639150818 15.999 38 O 0.90892848099342 0.91003428174755 0.15287639150818 15.999 39 O 0.55498827878942 0.25000000000000 0.03662632078439 15.999 40 O 0.78107836125968 0.95386526410293 0.60412492880684 15.999 41 O 0.27745283500386 0.56944791329032 0.57243442892921 15.999 42 O 0.21892163874032 0.45386526410292 0.39587507119316 15.999 43 O 0.88649803875455 0.25000000000000 0.04403017205777 15.999 44 O 0.71544562684760 0.25000000000000 0.25291507195926 15.999 45 O 0.28107836125968 0.54613473589707 0.89587507119316 15.999 46 O 0.40892848099342 0.58996571825245 0.34712360849182 15.999 47 O 0.78107836125968 0.54613473589707 0.60412492880684 15.999 48 O 0.44501172121058 0.75000000000000 0.96337367921561 15.999 49 O 0.28107836125968 0.95386526410293 0.89587507119316 15.999 50 O 0.78455437315240 0.75000000000000 0.75291507195926 15.999 51 O 0.05498827878942 0.25000000000000 0.46337367921561 15.999 52 O 0.09107151900658 0.08996571825245 0.84712360849182 15.999 53 O 0.40892848099342 0.91003428174755 0.34712360849182 15.999 54 O 0.38649803875455 0.25000000000000 0.45596982794223 15.999 55 O 0.71892163874032 0.45386526410292 0.10412492880684 15.999 56 O 0.61350196124545 0.75000000000000 0.54403017205777 15.999 57 O 0.27745283500386 0.93055208670968 0.57243442892921 15.999 58 O 0.11350196124545 0.75000000000000 0.95596982794223 15.999 59 O 0.59107151900658 0.08996571825245 0.65287639150818 15.999 60 O 0.21892163874032 0.04613473589708 0.39587507119316 15.999 61 O 0.28455437315240 0.75000000000000 0.74708492804074 15.999 62 O 0.71892163874032 0.04613473589708 0.10412492880684 15.999 63 O 0.77745283500386 0.56944791329032 0.92756557107079 15.999 64 O 0.72254716499614 0.06944791329032 0.42756557107079 15.999 65 O 0.22254716499614 0.43055208670968 0.07243442892921 15.999 66 O 0.90892848099342 0.58996571825245 0.15287639150818 15.999 67 O 0.94501172121058 0.75000000000000 0.53662632078439 15.999 68 O 0.09107151900658 0.41003428174755 0.84712360849182 15.999 69 F 0.36348805492940 0.25000000000000 0.76436617952028 18.998 70 F 0.86348805492940 0.25000000000000 0.73563382047972 18.998 71 F 0.63651194507060 0.75000000000000 0.23563382047972 18.998 72 F 0.13651194507060 0.75000000000000 0.26436617952028 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.420428780000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.003708680000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.785153469999997 Atomic positions (fractional): 1 Sr 0.14436512038968 0.75000000000000 0.48092130051183 87.620 > 1 2 Sr 0.64436512038968 0.75000000000000 0.48092130051183 87.620 > 1 3 Sr 0.12639503209174 0.11993850708612 0.62598108159268 87.620 > 3 4 Sr 0.62639503209174 0.11993850708612 0.62598108159268 87.620 > 3 5 Sr 0.23556530426892 0.38715682617428 0.24663743749503 87.620 > 5 6 Sr 0.73556530426892 0.38715682617428 0.24663743749503 87.620 > 5 7 Sr 0.12360496790826 0.61993850708612 0.12598108159269 87.620 > 7 8 Sr 0.62360496790826 0.61993850708612 0.12598108159269 87.620 > 7 9 Sr 0.48556530426892 0.38715682617428 0.25336256250497 87.620 > 9 10 Sr 0.98556530426892 0.38715682617428 0.25336256250497 87.620 > 9 11 Sr 0.01443469573108 0.88715682617428 0.74663743749503 87.620 > 11 12 Sr 0.51443469573108 0.88715682617428 0.74663743749503 87.620 > 11 13 Sr 0.37360496790826 0.88006149291388 0.37401891840731 87.620 > 13 14 Sr 0.87360496790826 0.88006149291388 0.37401891840731 87.620 > 13 15 Sr 0.26443469573108 0.61284317382572 0.75336256250497 87.620 > 15 16 Sr 0.76443469573108 0.61284317382572 0.75336256250497 87.620 > 15 17 Sr 0.37639503209174 0.38006149291388 0.87401891840732 87.620 > 17 18 Sr 0.87639503209174 0.38006149291388 0.87401891840732 87.620 > 17 19 Sr 0.12360496790826 0.88006149291388 0.12598108159269 87.620 > 19 20 Sr 0.62360496790826 0.88006149291388 0.12598108159269 87.620 > 19 21 Sr 0.37639503209174 0.11993850708612 0.87401891840732 87.620 > 21 22 Sr 0.87639503209174 0.11993850708612 0.87401891840732 87.620 > 21 23 Sr 0.39436512038968 0.75000000000000 0.01907869948817 87.620 > 23 24 Sr 0.89436512038968 0.75000000000000 0.01907869948817 87.620 > 23 25 Sr 0.01443469573108 0.61284317382572 0.74663743749503 87.620 > 25 26 Sr 0.51443469573108 0.61284317382572 0.74663743749503 87.620 > 25 27 Sr 0.10563487961032 0.25000000000000 0.98092130051183 87.620 > 27 28 Sr 0.60563487961032 0.25000000000000 0.98092130051183 87.620 > 27 29 Sr 0.37360496790826 0.61993850708612 0.37401891840731 87.620 > 29 30 Sr 0.87360496790826 0.61993850708612 0.37401891840731 87.620 > 29 31 Sr 0.26443469573108 0.88715682617428 0.75336256250497 87.620 > 31 32 Sr 0.76443469573108 0.88715682617428 0.75336256250497 87.620 > 31 33 Sr 0.48556530426892 0.11284317382572 0.25336256250497 87.620 > 33 34 Sr 0.98556530426892 0.11284317382572 0.25336256250497 87.620 > 33 35 Sr 0.23556530426892 0.11284317382572 0.24663743749503 87.620 > 35 36 Sr 0.73556530426892 0.11284317382572 0.24663743749503 87.620 > 35 37 Sr 0.12639503209174 0.38006149291388 0.62598108159268 87.620 > 37 38 Sr 0.62639503209174 0.38006149291388 0.62598108159268 87.620 > 37 39 Sr 0.35563487961032 0.25000000000000 0.51907869948817 87.620 > 39 40 Sr 0.85563487961032 0.25000000000000 0.51907869948817 87.620 > 39 41 B 0.09941820239635 0.46168268983708 0.93844093590236 10.811 > 41 42 B 0.59941820239635 0.46168268983708 0.93844093590236 10.811 > 41 43 B 0.10890236631980 0.25000000000000 0.38946238667417 10.811 > 43 44 B 0.60890236631980 0.25000000000000 0.38946238667417 10.811 > 43 45 B 0.35890236631980 0.25000000000000 0.11053761332583 10.811 > 45 46 B 0.85890236631980 0.25000000000000 0.11053761332583 10.811 > 45 47 B 0.15058179760365 0.96168268983708 0.43844093590236 10.811 > 47 48 B 0.65058179760365 0.96168268983708 0.43844093590236 10.811 > 47 49 B 0.40058179760365 0.53831731016292 0.06155906409764 10.811 > 49 50 B 0.90058179760365 0.53831731016292 0.06155906409764 10.811 > 49 51 B 0.09941820239635 0.03831731016292 0.93844093590236 10.811 > 51 52 B 0.59941820239635 0.03831731016292 0.93844093590236 10.811 > 51 53 B 0.34941820239635 0.03831731016292 0.56155906409764 10.811 > 53 54 B 0.84941820239635 0.03831731016292 0.56155906409764 10.811 > 53 55 B 0.34941820239635 0.46168268983708 0.56155906409764 10.811 > 55 56 B 0.84941820239635 0.46168268983708 0.56155906409764 10.811 > 55 57 B 0.15058179760365 0.53831731016292 0.43844093590236 10.811 > 57 58 B 0.65058179760365 0.53831731016292 0.43844093590236 10.811 > 57 59 B 0.39109763368020 0.75000000000000 0.61053761332583 10.811 > 59 60 B 0.89109763368020 0.75000000000000 0.61053761332583 10.811 > 59 61 B 0.40058179760365 0.96168268983708 0.06155906409764 10.811 > 61 62 B 0.90058179760365 0.96168268983708 0.06155906409764 10.811 > 61 63 B 0.14109763368020 0.75000000000000 0.88946238667417 10.811 > 63 64 B 0.64109763368020 0.75000000000000 0.88946238667417 10.811 > 63 65 O 0.10772281342380 0.25000000000000 0.24708492804074 15.999 > 65 66 O 0.60772281342380 0.25000000000000 0.24708492804074 15.999 > 65 67 O 0.11127358249807 0.06944791329032 0.07243442892921 15.999 > 67 68 O 0.61127358249807 0.06944791329032 0.07243442892921 15.999 > 67 69 O 0.38872641750193 0.93055208670968 0.92756557107079 15.999 > 69 70 O 0.88872641750193 0.93055208670968 0.92756557107079 15.999 > 69 71 O 0.36127358249807 0.43055208670968 0.42756557107079 15.999 > 71 72 O 0.86127358249807 0.43055208670968 0.42756557107079 15.999 > 71 73 O 0.29553575950329 0.41003428174755 0.65287639150818 15.999 > 73 74 O 0.79553575950329 0.41003428174755 0.65287639150818 15.999 > 73 75 O 0.45446424049671 0.91003428174755 0.15287639150818 15.999 > 75 76 O 0.95446424049671 0.91003428174755 0.15287639150818 15.999 > 75 77 O 0.27749413939471 0.25000000000000 0.03662632078439 15.999 > 77 78 O 0.77749413939471 0.25000000000000 0.03662632078439 15.999 > 77 79 O 0.39053918062984 0.95386526410293 0.60412492880684 15.999 > 79 80 O 0.89053918062984 0.95386526410293 0.60412492880684 15.999 > 79 81 O 0.13872641750193 0.56944791329032 0.57243442892921 15.999 > 81 82 O 0.63872641750193 0.56944791329032 0.57243442892921 15.999 > 81 83 O 0.10946081937016 0.45386526410292 0.39587507119316 15.999 > 83 84 O 0.60946081937016 0.45386526410292 0.39587507119316 15.999 > 83 85 O 0.44324901937728 0.25000000000000 0.04403017205777 15.999 > 85 86 O 0.94324901937728 0.25000000000000 0.04403017205777 15.999 > 85 87 O 0.35772281342380 0.25000000000000 0.25291507195926 15.999 > 87 88 O 0.85772281342380 0.25000000000000 0.25291507195926 15.999 > 87 89 O 0.14053918062984 0.54613473589707 0.89587507119316 15.999 > 89 90 O 0.64053918062984 0.54613473589707 0.89587507119316 15.999 > 89 91 O 0.20446424049671 0.58996571825245 0.34712360849182 15.999 > 91 92 O 0.70446424049671 0.58996571825245 0.34712360849182 15.999 > 91 93 O 0.39053918062984 0.54613473589707 0.60412492880684 15.999 > 93 94 O 0.89053918062984 0.54613473589707 0.60412492880684 15.999 > 93 95 O 0.22250586060529 0.75000000000000 0.96337367921561 15.999 > 95 96 O 0.72250586060529 0.75000000000000 0.96337367921561 15.999 > 95 97 O 0.14053918062984 0.95386526410293 0.89587507119316 15.999 > 97 98 O 0.64053918062984 0.95386526410293 0.89587507119316 15.999 > 97 99 O 0.39227718657620 0.75000000000000 0.75291507195926 15.999 > 99 100 O 0.89227718657620 0.75000000000000 0.75291507195926 15.999 > 99 101 O 0.02749413939471 0.25000000000000 0.46337367921561 15.999 > 101 102 O 0.52749413939471 0.25000000000000 0.46337367921561 15.999 > 101 103 O 0.04553575950329 0.08996571825245 0.84712360849182 15.999 > 103 104 O 0.54553575950329 0.08996571825245 0.84712360849182 15.999 > 103 105 O 0.20446424049671 0.91003428174755 0.34712360849182 15.999 > 105 106 O 0.70446424049671 0.91003428174755 0.34712360849182 15.999 > 105 107 O 0.19324901937728 0.25000000000000 0.45596982794223 15.999 > 107 108 O 0.69324901937728 0.25000000000000 0.45596982794223 15.999 > 107 109 O 0.35946081937016 0.45386526410292 0.10412492880684 15.999 > 109 110 O 0.85946081937016 0.45386526410292 0.10412492880684 15.999 > 109 111 O 0.30675098062272 0.75000000000000 0.54403017205777 15.999 > 111 112 O 0.80675098062272 0.75000000000000 0.54403017205777 15.999 > 111 113 O 0.13872641750193 0.93055208670968 0.57243442892921 15.999 > 113 114 O 0.63872641750193 0.93055208670968 0.57243442892921 15.999 > 113 115 O 0.05675098062273 0.75000000000000 0.95596982794223 15.999 > 115 116 O 0.55675098062272 0.75000000000000 0.95596982794223 15.999 > 115 117 O 0.29553575950329 0.08996571825245 0.65287639150818 15.999 > 117 118 O 0.79553575950329 0.08996571825245 0.65287639150818 15.999 > 117 119 O 0.10946081937016 0.04613473589708 0.39587507119316 15.999 > 119 120 O 0.60946081937016 0.04613473589708 0.39587507119316 15.999 > 119 121 O 0.14227718657620 0.75000000000000 0.74708492804074 15.999 > 121 122 O 0.64227718657620 0.75000000000000 0.74708492804074 15.999 > 121 123 O 0.35946081937016 0.04613473589708 0.10412492880684 15.999 > 123 124 O 0.85946081937016 0.04613473589708 0.10412492880684 15.999 > 123 125 O 0.38872641750193 0.56944791329032 0.92756557107079 15.999 > 125 126 O 0.88872641750193 0.56944791329032 0.92756557107079 15.999 > 125 127 O 0.36127358249807 0.06944791329032 0.42756557107079 15.999 > 127 128 O 0.86127358249807 0.06944791329032 0.42756557107079 15.999 > 127 129 O 0.11127358249807 0.43055208670968 0.07243442892921 15.999 > 129 130 O 0.61127358249807 0.43055208670968 0.07243442892921 15.999 > 129 131 O 0.45446424049671 0.58996571825245 0.15287639150818 15.999 > 131 132 O 0.95446424049671 0.58996571825245 0.15287639150818 15.999 > 131 133 O 0.47250586060529 0.75000000000000 0.53662632078439 15.999 > 133 134 O 0.97250586060529 0.75000000000000 0.53662632078439 15.999 > 133 135 O 0.04553575950329 0.41003428174755 0.84712360849182 15.999 > 135 136 O 0.54553575950329 0.41003428174755 0.84712360849182 15.999 > 135 137 F 0.18174402746470 0.25000000000000 0.76436617952028 18.998 > 137 138 F 0.68174402746470 0.25000000000000 0.76436617952028 18.998 > 137 139 F 0.43174402746470 0.25000000000000 0.73563382047972 18.998 > 139 140 F 0.93174402746470 0.25000000000000 0.73563382047972 18.998 > 139 141 F 0.31825597253530 0.75000000000000 0.23563382047972 18.998 > 141 142 F 0.81825597253530 0.75000000000000 0.23563382047972 18.998 > 141 143 F 0.06825597253530 0.75000000000000 0.26436617952028 18.998 > 143 144 F 0.56825597253530 0.75000000000000 0.26436617952028 18.998 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9899786 0.0000000 0.0000000 0.0000000 3.0472513 0.0000000 0.0000000 0.0000000 3.1138799 -------------------------- Born effective charges -------------------------- 1 Sr 2.6371480 0.0000000 0.0818203 -0.0000000 2.5641899 0.0000000 0.0961450 -0.0000000 2.4970619 2 Sr 2.1638649 0.0349584 -0.0836223 0.0090865 2.4773284 -0.0364258 -0.1097913 0.0019274 2.6452991 3 Sr 2.6821538 -0.0988211 -0.1823218 -0.0303284 2.3396976 0.0192078 -0.0800655 0.0556525 2.3362878 4 Sr 2.1638649 -0.0349584 0.0836223 -0.0090865 2.4773284 -0.0364258 0.1097913 0.0019274 2.6452991 5 Sr 2.6821538 -0.0988211 0.1823218 -0.0303284 2.3396976 -0.0192078 0.0800655 -0.0556525 2.3362878 6 Sr 2.6821538 0.0988211 0.1823218 0.0303284 2.3396976 0.0192078 0.0800655 0.0556525 2.3362878 7 Sr 2.1638649 0.0349584 -0.0836223 0.0090865 2.4773284 -0.0364258 -0.1097913 0.0019274 2.6452991 8 Sr 2.6821538 -0.0988211 -0.1823218 -0.0303284 2.3396976 0.0192078 -0.0800655 0.0556525 2.3362878 9 Sr 2.1638649 -0.0349584 0.0836223 -0.0090865 2.4773284 -0.0364258 0.1097913 0.0019274 2.6452991 10 Sr 2.1638649 0.0349584 0.0836223 0.0090865 2.4773284 0.0364258 0.1097913 -0.0019274 2.6452991 11 Sr 2.1638649 0.0349584 0.0836223 0.0090865 2.4773284 0.0364258 0.1097913 -0.0019274 2.6452991 12 Sr 2.6371480 0.0000000 -0.0818203 -0.0000000 2.5641899 0.0000000 -0.0961450 -0.0000000 2.4970619 13 Sr 2.6821538 -0.0988211 0.1823218 -0.0303284 2.3396976 -0.0192078 0.0800655 -0.0556525 2.3362878 14 Sr 2.6371480 0.0000000 -0.0818203 -0.0000000 2.5641899 0.0000000 -0.0961450 -0.0000000 2.4970619 15 Sr 2.1638649 -0.0349584 -0.0836223 -0.0090865 2.4773284 0.0364258 -0.1097913 -0.0019274 2.6452991 16 Sr 2.6821538 0.0988211 -0.1823218 0.0303284 2.3396976 -0.0192078 -0.0800655 -0.0556525 2.3362878 17 Sr 2.6821538 0.0988211 0.1823218 0.0303284 2.3396976 0.0192078 0.0800655 0.0556525 2.3362878 18 Sr 2.6821538 0.0988211 -0.1823218 0.0303284 2.3396976 -0.0192078 -0.0800655 -0.0556525 2.3362878 19 Sr 2.1638649 -0.0349584 -0.0836223 -0.0090865 2.4773284 0.0364258 -0.1097913 -0.0019274 2.6452991 20 Sr 2.6371480 0.0000000 0.0818203 -0.0000000 2.5641899 0.0000000 0.0961450 -0.0000000 2.4970619 21 B 1.0286957 0.8663882 0.5118316 0.9271946 2.0613022 -0.4785796 0.4717242 -0.4480423 2.4999510 22 B 2.4436463 0.0000000 0.0419842 -0.0000000 0.7429198 0.0000000 0.0769544 -0.0000000 2.3577966 23 B 2.4436463 0.0000000 -0.0419842 -0.0000000 0.7429198 0.0000000 -0.0769544 -0.0000000 2.3577966 24 B 1.0286957 -0.8663882 -0.5118316 -0.9271946 2.0613022 -0.4785796 -0.4717242 -0.4480423 2.4999510 25 B 1.0286957 0.8663882 0.5118316 0.9271946 2.0613022 -0.4785796 0.4717242 -0.4480423 2.4999510 26 B 1.0286957 -0.8663882 0.5118316 -0.9271946 2.0613022 0.4785796 0.4717242 0.4480423 2.4999510 27 B 1.0286957 -0.8663882 -0.5118316 -0.9271946 2.0613022 -0.4785796 -0.4717242 -0.4480423 2.4999510 28 B 1.0286957 0.8663882 -0.5118316 0.9271946 2.0613022 0.4785796 -0.4717242 0.4480423 2.4999510 29 B 1.0286957 0.8663882 -0.5118316 0.9271946 2.0613022 0.4785796 -0.4717242 0.4480423 2.4999510 30 B 2.4436463 0.0000000 0.0419842 -0.0000000 0.7429198 0.0000000 0.0769544 -0.0000000 2.3577966 31 B 1.0286957 -0.8663882 0.5118316 -0.9271946 2.0613022 0.4785796 0.4717242 0.4480423 2.4999510 32 B 2.4436463 0.0000000 -0.0419842 -0.0000000 0.7429198 0.0000000 -0.0769544 -0.0000000 2.3577966 33 O -1.6815558 0.0000000 -0.0553621 -0.0000000 -1.5563113 0.0000000 -0.0430314 -0.0000000 -2.3307705 34 O -1.3472564 -0.0212682 -0.2393898 0.0142720 -1.7543441 -0.4216802 -0.2519060 -0.4250818 -2.4679876 35 O -1.3472564 -0.0212682 -0.2393898 0.0142720 -1.7543441 -0.4216802 -0.2519060 -0.4250818 -2.4679876 36 O -1.3472564 0.0212682 0.2393898 -0.0142720 -1.7543441 -0.4216802 0.2519060 -0.4250818 -2.4679876 37 O -1.7355209 -0.2843539 0.2105521 -0.3385593 -1.7028720 0.1998382 0.2211154 0.2012145 -1.9699691 38 O -1.7355209 0.2843539 -0.2105521 0.3385593 -1.7028720 0.1998382 -0.2211154 0.2012145 -1.9699691 39 O -2.3907500 0.0000000 -0.2873433 -0.0000000 -1.3389392 0.0000000 -0.2798735 -0.0000000 -1.6748476 40 O -1.5824515 0.4338185 -0.1935485 0.5470671 -2.1920293 0.4056768 -0.2413968 0.4022681 -1.8134006 41 O -1.3472564 0.0212682 0.2393898 -0.0142720 -1.7543441 -0.4216802 0.2519060 -0.4250818 -2.4679876 42 O -1.5824515 -0.4338185 -0.1935485 -0.5470671 -2.1920293 -0.4056768 -0.2413968 -0.4022681 -1.8134006 43 O -2.4072787 0.0000000 0.3578104 -0.0000000 -1.4757566 0.0000000 0.3621192 -0.0000000 -1.7267202 44 O -1.6815558 0.0000000 0.0553621 -0.0000000 -1.5563113 0.0000000 0.0430314 -0.0000000 -2.3307705 45 O -1.5824515 -0.4338185 0.1935485 -0.5470671 -2.1920293 0.4056768 0.2413968 0.4022681 -1.8134006 46 O -1.7355209 -0.2843539 0.2105521 -0.3385593 -1.7028720 0.1998382 0.2211154 0.2012145 -1.9699691 47 O -1.5824515 -0.4338185 -0.1935485 -0.5470671 -2.1920293 -0.4056768 -0.2413968 -0.4022681 -1.8134006 48 O -2.3907500 0.0000000 -0.2873433 -0.0000000 -1.3389392 0.0000000 -0.2798735 -0.0000000 -1.6748476 49 O -1.5824515 0.4338185 0.1935485 0.5470671 -2.1920293 -0.4056768 0.2413968 -0.4022681 -1.8134006 50 O -1.6815558 0.0000000 -0.0553621 -0.0000000 -1.5563113 0.0000000 -0.0430314 -0.0000000 -2.3307705 51 O -2.3907500 0.0000000 0.2873433 -0.0000000 -1.3389392 0.0000000 0.2798735 -0.0000000 -1.6748476 52 O -1.7355209 0.2843539 -0.2105521 0.3385593 -1.7028720 0.1998382 -0.2211154 0.2012145 -1.9699691 53 O -1.7355209 0.2843539 0.2105521 0.3385593 -1.7028720 -0.1998382 0.2211154 -0.2012145 -1.9699691 54 O -2.4072787 0.0000000 -0.3578104 -0.0000000 -1.4757566 0.0000000 -0.3621192 -0.0000000 -1.7267202 55 O -1.5824515 -0.4338185 0.1935485 -0.5470671 -2.1920293 0.4056768 0.2413968 0.4022681 -1.8134006 56 O -2.4072787 0.0000000 -0.3578104 -0.0000000 -1.4757566 0.0000000 -0.3621192 -0.0000000 -1.7267202 57 O -1.3472564 -0.0212682 0.2393898 0.0142720 -1.7543441 0.4216802 0.2519060 0.4250818 -2.4679876 58 O -2.4072787 0.0000000 0.3578104 -0.0000000 -1.4757566 0.0000000 0.3621192 -0.0000000 -1.7267202 59 O -1.7355209 0.2843539 0.2105521 0.3385593 -1.7028720 -0.1998382 0.2211154 -0.2012145 -1.9699691 60 O -1.5824515 0.4338185 -0.1935485 0.5470671 -2.1920293 0.4056768 -0.2413968 0.4022681 -1.8134006 61 O -1.6815558 0.0000000 0.0553621 -0.0000000 -1.5563113 0.0000000 0.0430314 -0.0000000 -2.3307705 62 O -1.5824515 0.4338185 0.1935485 0.5470671 -2.1920293 -0.4056768 0.2413968 -0.4022681 -1.8134006 63 O -1.3472564 0.0212682 -0.2393898 -0.0142720 -1.7543441 0.4216802 -0.2519060 0.4250818 -2.4679876 64 O -1.3472564 -0.0212682 0.2393898 0.0142720 -1.7543441 0.4216802 0.2519060 0.4250818 -2.4679876 65 O -1.3472564 0.0212682 -0.2393898 -0.0142720 -1.7543441 0.4216802 -0.2519060 0.4250818 -2.4679876 66 O -1.7355209 -0.2843539 -0.2105521 -0.3385593 -1.7028720 -0.1998382 -0.2211154 -0.2012145 -1.9699691 67 O -2.3907500 0.0000000 0.2873433 -0.0000000 -1.3389392 0.0000000 0.2798735 -0.0000000 -1.6748476 68 O -1.7355209 -0.2843539 -0.2105521 -0.3385593 -1.7028720 -0.1998382 -0.2211154 -0.2012145 -1.9699691 69 F -1.0201809 0.0000000 0.0765560 -0.0000000 -1.3942684 0.0000000 0.0219561 -0.0000000 -1.5828815 70 F -1.0201809 0.0000000 -0.0765560 -0.0000000 -1.3942684 0.0000000 -0.0219561 -0.0000000 -1.5828815 71 F -1.0201809 0.0000000 0.0765560 -0.0000000 -1.3942684 0.0000000 0.0219561 -0.0000000 -1.5828815 72 F -1.0201809 0.0000000 -0.0765560 -0.0000000 -1.3942684 0.0000000 -0.0219561 -0.0000000 -1.5828815 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 4 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.42, Number of G-points: 293, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/36) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -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 1.316 ( 0.000 0.000 0.000) 0.000 1.437 ( 0.000 0.000 0.000) 0.000 1.594 ( 0.000 0.000 0.000) 0.000 1.721 ( 0.000 0.000 0.000) 0.000 1.785 ( 0.000 0.000 0.000) 0.000 2.108 ( 0.000 0.000 0.000) 0.000 2.111 ( 0.000 0.000 0.000) 0.000 2.251 ( 0.000 0.000 0.000) 0.000 2.281 ( 0.000 0.000 0.000) 0.000 2.320 ( 0.000 0.000 0.000) 0.000 2.351 ( 0.000 0.000 0.000) 0.000 2.457 ( 0.000 0.000 0.000) 0.000 2.462 ( 0.000 0.000 0.000) 0.000 2.766 ( 0.000 0.000 0.000) 0.000 2.768 ( 0.000 0.000 0.000) 0.000 2.796 ( 0.000 0.000 0.000) 0.000 2.868 ( 0.000 0.000 0.000) 0.000 2.912 ( 0.000 0.000 0.000) 0.000 2.921 ( 0.000 0.000 0.000) 0.000 2.927 ( 0.000 0.000 0.000) 0.000 2.988 ( 0.000 0.000 0.000) 0.000 3.056 ( 0.000 0.000 0.000) 0.000 3.125 ( 0.000 0.000 0.000) 0.000 3.192 ( 0.000 0.000 0.000) 0.000 3.203 ( 0.000 0.000 0.000) 0.000 3.217 ( 0.000 0.000 0.000) 0.000 3.245 ( 0.000 0.000 0.000) 0.000 3.276 ( 0.000 0.000 0.000) 0.000 3.315 ( 0.000 0.000 0.000) 0.000 3.403 ( 0.000 0.000 0.000) 0.000 3.438 ( 0.000 0.000 0.000) 0.000 3.522 ( 0.000 0.000 0.000) 0.000 3.590 ( 0.000 0.000 0.000) 0.000 3.621 ( 0.000 0.000 0.000) 0.000 3.622 ( 0.000 0.000 0.000) 0.000 3.643 ( 0.000 0.000 0.000) 0.000 3.749 ( 0.000 0.000 0.000) 0.000 3.866 ( 0.000 0.000 0.000) 0.000 3.870 ( 0.000 0.000 0.000) 0.000 3.892 ( 0.000 0.000 0.000) 0.000 3.907 ( 0.000 0.000 0.000) 0.000 4.017 ( 0.000 0.000 0.000) 0.000 4.064 ( 0.000 0.000 0.000) 0.000 4.082 ( 0.000 0.000 0.000) 0.000 4.177 ( 0.000 0.000 0.000) 0.000 4.195 ( 0.000 0.000 0.000) 0.000 4.232 ( 0.000 0.000 0.000) 0.000 4.263 ( 0.000 0.000 0.000) 0.000 4.406 ( 0.000 0.000 0.000) 0.000 4.487 ( 0.000 0.000 0.000) 0.000 4.498 ( 0.000 0.000 0.000) 0.000 4.634 ( 0.000 0.000 0.000) 0.000 4.648 ( 0.000 0.000 0.000) 0.000 4.649 ( 0.000 0.000 0.000) 0.000 4.793 ( 0.000 0.000 0.000) 0.000 4.905 ( 0.000 0.000 0.000) 0.000 4.989 ( 0.000 0.000 0.000) 0.000 5.101 ( 0.000 0.000 0.000) 0.000 5.115 ( 0.000 0.000 0.000) 0.000 5.124 ( 0.000 0.000 0.000) 0.000 5.166 ( 0.000 0.000 0.000) 0.000 5.173 ( 0.000 0.000 0.000) 0.000 5.185 ( 0.000 0.000 0.000) 0.000 5.187 ( 0.000 0.000 0.000) 0.000 5.290 ( 0.000 0.000 0.000) 0.000 5.361 ( 0.000 0.000 0.000) 0.000 5.382 ( 0.000 0.000 0.000) 0.000 5.471 ( 0.000 0.000 0.000) 0.000 5.506 ( 0.000 0.000 0.000) 0.000 5.615 ( 0.000 0.000 0.000) 0.000 5.653 ( 0.000 0.000 0.000) 0.000 5.748 ( 0.000 0.000 0.000) 0.000 5.803 ( 0.000 0.000 0.000) 0.000 5.875 ( 0.000 0.000 0.000) 0.000 5.958 ( 0.000 0.000 0.000) 0.000 5.981 ( 0.000 0.000 0.000) 0.000 6.001 ( 0.000 0.000 0.000) 0.000 6.045 ( 0.000 0.000 0.000) 0.000 6.057 ( 0.000 0.000 0.000) 0.000 6.125 ( 0.000 0.000 0.000) 0.000 6.146 ( 0.000 0.000 0.000) 0.000 6.177 ( 0.000 0.000 0.000) 0.000 6.202 ( 0.000 0.000 0.000) 0.000 6.243 ( 0.000 0.000 0.000) 0.000 6.284 ( 0.000 0.000 0.000) 0.000 6.336 ( 0.000 0.000 0.000) 0.000 6.345 ( 0.000 0.000 0.000) 0.000 6.506 ( 0.000 0.000 0.000) 0.000 6.553 ( 0.000 0.000 0.000) 0.000 6.591 ( 0.000 0.000 0.000) 0.000 6.612 ( 0.000 0.000 0.000) 0.000 6.629 ( 0.000 0.000 0.000) 0.000 6.651 ( 0.000 0.000 0.000) 0.000 6.670 ( 0.000 0.000 0.000) 0.000 6.728 ( 0.000 0.000 0.000) 0.000 6.906 ( 0.000 0.000 0.000) 0.000 7.011 ( 0.000 0.000 0.000) 0.000 7.076 ( 0.000 0.000 0.000) 0.000 7.105 ( 0.000 0.000 0.000) 0.000 7.109 ( 0.000 0.000 0.000) 0.000 7.327 ( 0.000 0.000 0.000) 0.000 7.348 ( 0.000 0.000 0.000) 0.000 7.383 ( 0.000 0.000 0.000) 0.000 7.385 ( 0.000 0.000 0.000) 0.000 7.392 ( 0.000 0.000 0.000) 0.000 7.422 ( 0.000 0.000 0.000) 0.000 7.565 ( 0.000 0.000 0.000) 0.000 7.681 ( 0.000 0.000 0.000) 0.000 7.708 ( 0.000 0.000 0.000) 0.000 7.732 ( 0.000 0.000 0.000) 0.000 7.757 ( 0.000 0.000 0.000) 0.000 7.766 ( 0.000 0.000 0.000) 0.000 7.787 ( 0.000 0.000 0.000) 0.000 7.888 ( 0.000 0.000 0.000) 0.000 7.999 ( 0.000 0.000 0.000) 0.000 8.047 ( 0.000 0.000 0.000) 0.000 8.067 ( 0.000 0.000 0.000) 0.000 8.161 ( 0.000 0.000 0.000) 0.000 8.228 ( 0.000 0.000 0.000) 0.000 8.350 ( 0.000 0.000 0.000) 0.000 8.388 ( 0.000 0.000 0.000) 0.000 8.402 ( 0.000 0.000 0.000) 0.000 8.493 ( 0.000 0.000 0.000) 0.000 8.542 ( 0.000 0.000 0.000) 0.000 8.581 ( 0.000 0.000 0.000) 0.000 8.641 ( 0.000 0.000 0.000) 0.000 8.656 ( 0.000 0.000 0.000) 0.000 8.803 ( 0.000 0.000 0.000) 0.000 8.877 ( 0.000 0.000 0.000) 0.000 8.997 ( 0.000 0.000 0.000) 0.000 9.107 ( 0.000 0.000 0.000) 0.000 9.195 ( 0.000 0.000 0.000) 0.000 9.437 ( 0.000 0.000 0.000) 0.000 9.445 ( 0.000 0.000 0.000) 0.000 9.586 ( 0.000 0.000 0.000) 0.000 9.722 ( 0.000 0.000 0.000) 0.000 9.733 ( 0.000 0.000 0.000) 0.000 9.837 ( 0.000 0.000 0.000) 0.000 10.075 ( 0.000 0.000 0.000) 0.000 10.094 ( 0.000 0.000 0.000) 0.000 10.120 ( 0.000 0.000 0.000) 0.000 16.688 ( 0.000 0.000 0.000) 0.000 16.712 ( 0.000 0.000 0.000) 0.000 16.719 ( 0.000 0.000 0.000) 0.000 16.746 ( 0.000 0.000 0.000) 0.000 16.848 ( 0.000 0.000 0.000) 0.000 16.869 ( 0.000 0.000 0.000) 0.000 16.873 ( 0.000 0.000 0.000) 0.000 16.889 ( 0.000 0.000 0.000) 0.000 16.968 ( 0.000 0.000 0.000) 0.000 16.987 ( 0.000 0.000 0.000) 0.000 17.050 ( 0.000 0.000 0.000) 0.000 17.120 ( 0.000 0.000 0.000) 0.000 17.125 ( 0.000 0.000 0.000) 0.000 17.130 ( 0.000 0.000 0.000) 0.000 17.163 ( 0.000 0.000 0.000) 0.000 17.173 ( 0.000 0.000 0.000) 0.000 17.302 ( 0.000 0.000 0.000) 0.000 17.330 ( 0.000 0.000 0.000) 0.000 17.332 ( 0.000 0.000 0.000) 0.000 17.356 ( 0.000 0.000 0.000) 0.000 17.392 ( 0.000 0.000 0.000) 0.000 17.430 ( 0.000 0.000 0.000) 0.000 17.489 ( 0.000 0.000 0.000) 0.000 17.593 ( 0.000 0.000 0.000) 0.000 21.623 ( 0.000 0.000 0.000) 0.000 21.637 ( 0.000 0.000 0.000) 0.000 21.722 ( 0.000 0.000 0.000) 0.000 21.749 ( 0.000 0.000 0.000) 0.000 21.895 ( 0.000 0.000 0.000) 0.000 21.954 ( 0.000 0.000 0.000) 0.000 21.980 ( 0.000 0.000 0.000) 0.000 22.145 ( 0.000 0.000 0.000) 0.000 22.177 ( 0.000 0.000 0.000) 0.000 22.212 ( 0.000 0.000 0.000) 0.000 22.240 ( 0.000 0.000 0.000) 0.000 22.252 ( 0.000 0.000 0.000) 0.000 26.920 ( 0.000 0.000 0.000) 0.000 26.922 ( 0.000 0.000 0.000) 0.000 26.924 ( 0.000 0.000 0.000) 0.000 26.937 ( 0.000 0.000 0.000) 0.000 27.014 ( 0.000 0.000 0.000) 0.000 27.016 ( 0.000 0.000 0.000) 0.000 27.027 ( 0.000 0.000 0.000) 0.000 27.032 ( 0.000 0.000 0.000) 0.000 27.394 ( 0.000 0.000 0.000) 0.000 27.398 ( 0.000 0.000 0.000) 0.000 27.484 ( 0.000 0.000 0.000) 0.000 27.518 ( 0.000 0.000 0.000) 0.000 36.102 ( 0.000 0.000 0.000) 0.000 36.119 ( 0.000 0.000 0.000) 0.000 36.231 ( 0.000 0.000 0.000) 0.000 36.256 ( 0.000 0.000 0.000) 0.000 36.332 ( 0.000 0.000 0.000) 0.000 36.347 ( 0.000 0.000 0.000) 0.000 36.711 ( 0.000 0.000 0.000) 0.000 36.726 ( 0.000 0.000 0.000) 0.000 37.012 ( 0.000 0.000 0.000) 0.000 37.022 ( 0.000 0.000 0.000) 0.000 37.026 ( 0.000 0.000 0.000) 0.000 37.057 ( 0.000 0.000 0.000) 0.000 37.062 ( 0.000 0.000 0.000) 0.000 37.430 ( 0.000 0.000 0.000) 0.000 37.657 ( 0.000 0.000 0.000) 0.000 37.948 ( 0.000 0.000 0.000) 0.000 37.980 ( 0.000 0.000 0.000) 0.000 37.982 ( 0.000 0.000 0.000) 0.000 38.061 ( 0.000 0.000 0.000) 0.000 38.114 ( 0.000 0.000 0.000) 0.000 38.178 ( 0.000 0.000 0.000) 0.000 38.197 ( 0.000 0.000 0.000) 0.000 38.464 ( 0.000 0.000 0.000) 0.000 39.161 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/36) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 25.511 0.000 0.000) 25.511 0.529 ( 27.597 0.000 0.000) 27.597 0.989 ( 46.489 0.000 0.000) 46.489 1.345 ( 3.008 0.000 0.000) 3.008 1.504 ( 6.953 0.000 0.000) 6.953 1.712 ( 10.905 0.000 0.000) 10.905 1.811 ( 3.304 0.000 0.000) 3.304 1.877 ( 12.731 0.000 0.000) 12.731 2.123 ( 1.403 0.000 0.000) 1.403 2.166 ( -6.450 0.000 0.000) 6.450 2.230 ( 10.619 0.000 0.000) 10.619 2.324 ( 7.711 0.000 0.000) 7.711 2.371 ( 1.456 0.000 0.000) 1.456 2.439 ( 6.875 0.000 0.000) 6.875 2.473 ( 0.763 0.000 0.000) 0.763 2.552 ( 8.424 0.000 0.000) 8.424 2.694 ( -7.186 0.000 0.000) 7.186 2.719 ( -3.432 0.000 0.000) 3.432 2.759 ( -9.367 0.000 0.000) 9.367 2.773 ( 0.356 0.000 0.000) 0.356 2.838 ( -3.409 0.000 0.000) 3.409 2.936 ( -4.196 0.000 0.000) 4.196 2.963 ( 3.330 0.000 0.000) 3.330 3.003 ( -0.694 0.000 0.000) 0.694 3.091 ( -1.780 0.000 0.000) 1.780 3.134 ( 4.958 0.000 0.000) 4.958 3.177 ( 1.052 0.000 0.000) 1.052 3.223 ( 1.970 0.000 0.000) 1.970 3.283 ( 0.639 0.000 0.000) 0.639 3.300 ( 6.391 0.000 0.000) 6.391 3.320 ( 4.166 0.000 0.000) 4.166 3.437 ( -6.260 0.000 0.000) 6.260 3.461 ( -0.495 0.000 0.000) 0.495 3.463 ( 10.594 0.000 0.000) 10.594 3.515 ( 6.009 0.000 0.000) 6.009 3.559 ( -3.149 0.000 0.000) 3.149 3.659 ( 2.709 0.000 0.000) 2.709 3.706 ( 8.028 0.000 0.000) 8.028 3.706 ( 4.699 0.000 0.000) 4.699 3.802 ( -1.407 0.000 0.000) 1.407 3.828 ( 6.474 0.000 0.000) 6.474 3.861 ( -5.976 0.000 0.000) 5.976 3.875 ( 1.845 0.000 0.000) 1.845 3.963 ( -0.041 0.000 0.000) 0.041 4.001 ( -2.370 0.000 0.000) 2.370 4.018 ( -3.480 0.000 0.000) 3.480 4.039 ( -0.626 0.000 0.000) 0.626 4.210 ( 3.471 0.000 0.000) 3.471 4.217 ( 2.370 0.000 0.000) 2.370 4.248 ( -1.923 0.000 0.000) 1.923 4.333 ( 5.840 0.000 0.000) 5.840 4.450 ( 4.058 0.000 0.000) 4.058 4.473 ( -5.321 0.000 0.000) 5.321 4.502 ( -2.828 0.000 0.000) 2.828 4.535 ( 4.129 0.000 0.000) 4.129 4.686 ( 2.838 0.000 0.000) 2.838 4.718 ( -7.185 0.000 0.000) 7.185 4.904 ( 2.339 0.000 0.000) 2.339 4.933 ( 12.707 0.000 0.000) 12.707 4.968 ( -2.045 0.000 0.000) 2.045 5.045 ( -3.805 0.000 0.000) 3.805 5.073 ( -4.536 0.000 0.000) 4.536 5.073 ( -5.867 0.000 0.000) 5.867 5.101 ( -6.386 0.000 0.000) 6.386 5.118 ( -4.212 0.000 0.000) 4.212 5.215 ( -0.698 0.000 0.000) 0.698 5.260 ( 4.585 0.000 0.000) 4.585 5.264 ( -5.431 0.000 0.000) 5.431 5.320 ( -0.546 0.000 0.000) 0.546 5.327 ( -3.671 0.000 0.000) 3.671 5.439 ( -4.218 0.000 0.000) 4.218 5.563 ( 5.192 0.000 0.000) 5.192 5.600 ( -1.348 0.000 0.000) 1.348 5.728 ( -5.338 0.000 0.000) 5.338 5.746 ( 5.890 0.000 0.000) 5.890 5.795 ( 3.154 0.000 0.000) 3.154 5.842 ( -2.501 0.000 0.000) 2.501 5.866 ( -6.541 0.000 0.000) 6.541 5.960 ( -2.314 0.000 0.000) 2.314 5.997 ( -2.467 0.000 0.000) 2.467 6.037 ( 1.890 0.000 0.000) 1.890 6.116 ( 3.134 0.000 0.000) 3.134 6.137 ( 0.515 0.000 0.000) 0.515 6.162 ( -0.166 0.000 0.000) 0.166 6.203 ( -1.216 0.000 0.000) 1.216 6.238 ( -3.395 0.000 0.000) 3.395 6.288 ( 4.786 0.000 0.000) 4.786 6.338 ( -8.429 0.000 0.000) 8.429 6.359 ( 0.932 0.000 0.000) 0.932 6.395 ( 4.134 0.000 0.000) 4.134 6.492 ( -2.929 0.000 0.000) 2.929 6.559 ( -5.568 0.000 0.000) 5.568 6.586 ( -1.151 0.000 0.000) 1.151 6.595 ( 4.718 0.000 0.000) 4.718 6.643 ( 0.800 0.000 0.000) 0.800 6.712 ( 1.858 0.000 0.000) 1.858 6.724 ( 4.437 0.000 0.000) 4.437 6.730 ( -0.358 0.000 0.000) 0.358 6.902 ( -6.851 0.000 0.000) 6.851 7.005 ( -0.555 0.000 0.000) 0.555 7.072 ( -3.553 0.000 0.000) 3.553 7.105 ( 1.872 0.000 0.000) 1.872 7.163 ( 5.005 0.000 0.000) 5.005 7.332 ( -1.587 0.000 0.000) 1.587 7.342 ( -2.737 0.000 0.000) 2.737 7.364 ( 0.788 0.000 0.000) 0.788 7.388 ( -0.591 0.000 0.000) 0.591 7.408 ( 2.074 0.000 0.000) 2.074 7.514 ( -4.599 0.000 0.000) 4.599 7.637 ( -5.318 0.000 0.000) 5.318 7.675 ( -0.220 0.000 0.000) 0.220 7.756 ( 2.634 0.000 0.000) 2.634 7.759 ( -0.679 0.000 0.000) 0.679 7.781 ( -0.180 0.000 0.000) 0.180 7.822 ( 2.710 0.000 0.000) 2.710 7.922 ( 3.035 0.000 0.000) 3.035 7.960 ( -2.778 0.000 0.000) 2.778 7.996 ( -1.541 0.000 0.000) 1.541 8.064 ( -6.460 0.000 0.000) 6.460 8.179 ( 5.745 0.000 0.000) 5.745 8.187 ( -3.645 0.000 0.000) 3.645 8.293 ( 3.147 0.000 0.000) 3.147 8.359 ( 0.082 0.000 0.000) 0.082 8.448 ( -0.740 0.000 0.000) 0.740 8.463 ( -4.098 0.000 0.000) 4.098 8.464 ( -14.237 0.000 0.000) 14.237 8.487 ( 4.784 0.000 0.000) 4.784 8.649 ( 11.538 0.000 0.000) 11.538 8.734 ( 6.167 0.000 0.000) 6.167 8.803 ( 1.747 0.000 0.000) 1.747 9.023 ( -0.980 0.000 0.000) 0.980 9.032 ( 8.467 0.000 0.000) 8.467 9.118 ( 1.237 0.000 0.000) 1.237 9.242 ( 7.348 0.000 0.000) 7.348 9.448 ( 1.184 0.000 0.000) 1.184 9.461 ( 1.870 0.000 0.000) 1.870 9.594 ( 0.790 0.000 0.000) 0.790 9.698 ( -3.380 0.000 0.000) 3.380 9.731 ( 1.994 0.000 0.000) 1.994 9.817 ( -1.985 0.000 0.000) 1.985 10.029 ( -4.022 0.000 0.000) 4.022 10.055 ( -6.093 0.000 0.000) 6.093 10.084 ( -1.494 0.000 0.000) 1.494 10.500 ( -5.795 0.000 0.000) 5.795 16.688 ( 0.023 0.000 0.000) 0.023 16.728 ( 1.501 0.000 0.000) 1.501 16.737 ( -0.805 0.000 0.000) 0.805 16.759 ( 2.547 0.000 0.000) 2.547 16.835 ( -1.161 0.000 0.000) 1.161 16.884 ( 1.388 0.000 0.000) 1.388 16.894 ( 0.499 0.000 0.000) 0.499 16.938 ( 1.776 0.000 0.000) 1.776 16.969 ( 0.036 0.000 0.000) 0.036 17.008 ( 2.187 0.000 0.000) 2.187 17.045 ( -0.867 0.000 0.000) 0.867 17.103 ( -0.816 0.000 0.000) 0.816 17.133 ( 0.804 0.000 0.000) 0.804 17.140 ( 0.969 0.000 0.000) 0.969 17.169 ( 0.632 0.000 0.000) 0.632 17.181 ( 0.049 0.000 0.000) 0.049 17.261 ( -4.601 0.000 0.000) 4.601 17.317 ( -1.331 0.000 0.000) 1.331 17.318 ( 1.435 0.000 0.000) 1.435 17.346 ( -1.021 0.000 0.000) 1.021 17.372 ( -1.941 0.000 0.000) 1.941 17.477 ( 2.410 0.000 0.000) 2.410 17.481 ( -0.716 0.000 0.000) 0.716 17.588 ( -0.509 0.000 0.000) 0.509 21.626 ( 0.290 0.000 0.000) 0.290 21.637 ( -0.010 0.000 0.000) 0.010 21.733 ( 1.090 0.000 0.000) 1.090 21.897 ( 0.198 0.000 0.000) 0.198 21.967 ( 1.186 0.000 0.000) 1.186 21.971 ( -0.840 0.000 0.000) 0.840 22.007 ( -3.094 0.000 0.000) 3.094 22.162 ( 1.441 0.000 0.000) 1.441 22.195 ( -1.640 0.000 0.000) 1.640 22.203 ( 1.961 0.000 0.000) 1.961 22.241 ( 0.055 0.000 0.000) 0.055 22.255 ( 0.253 0.000 0.000) 0.253 26.926 ( 0.528 0.000 0.000) 0.528 26.927 ( 0.483 0.000 0.000) 0.483 26.933 ( 0.548 0.000 0.000) 0.548 26.940 ( 0.355 0.000 0.000) 0.355 27.010 ( -0.406 0.000 0.000) 0.406 27.016 ( -0.043 0.000 0.000) 0.043 27.022 ( -0.509 0.000 0.000) 0.509 27.027 ( -0.476 0.000 0.000) 0.476 27.386 ( -0.683 0.000 0.000) 0.683 27.394 ( -0.456 0.000 0.000) 0.456 27.470 ( -1.377 0.000 0.000) 1.377 27.494 ( -2.222 0.000 0.000) 2.222 36.106 ( 0.444 0.000 0.000) 0.444 36.129 ( 0.973 0.000 0.000) 0.973 36.221 ( -0.960 0.000 0.000) 0.960 36.292 ( 3.624 0.000 0.000) 3.624 36.331 ( -1.100 0.000 0.000) 1.100 36.370 ( 3.227 0.000 0.000) 3.227 36.701 ( -0.929 0.000 0.000) 0.929 36.783 ( 0.049 0.000 0.000) 0.049 36.938 ( -1.321 0.000 0.000) 1.321 36.961 ( -5.551 0.000 0.000) 5.551 36.977 ( -2.528 0.000 0.000) 2.528 37.167 ( 3.945 0.000 0.000) 3.945 37.175 ( 9.215 0.000 0.000) 9.215 37.478 ( 3.253 0.000 0.000) 3.253 37.597 ( -5.828 0.000 0.000) 5.828 37.706 ( -14.730 0.000 0.000) 14.730 37.811 ( -7.711 0.000 0.000) 7.711 37.921 ( -5.791 0.000 0.000) 5.791 38.023 ( -8.979 0.000 0.000) 8.979 38.419 ( 15.619 0.000 0.000) 15.619 38.421 ( -1.488 0.000 0.000) 1.488 38.481 ( 18.899 0.000 0.000) 18.899 38.968 ( 2.348 0.000 0.000) 2.348 39.678 ( -6.354 0.000 0.000) 6.354 ======================= Grid point 2 (3/36) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 23.153 0.000 0.000) 23.153 1.089 ( 28.481 0.000 0.000) 28.481 1.433 ( 5.565 0.000 0.000) 5.565 1.705 ( 12.548 0.000 0.000) 12.548 1.739 ( 25.879 0.000 0.000) 25.879 1.898 ( 7.786 0.000 0.000) 7.786 2.014 ( 14.471 0.000 0.000) 14.471 2.044 ( -4.165 0.000 0.000) 4.165 2.119 ( 11.028 0.000 0.000) 11.028 2.137 ( -1.725 0.000 0.000) 1.725 2.360 ( -2.770 0.000 0.000) 2.770 2.411 ( 2.910 0.000 0.000) 2.910 2.476 ( -0.970 0.000 0.000) 0.970 2.479 ( -5.242 0.000 0.000) 5.242 2.581 ( 7.245 0.000 0.000) 7.245 2.586 ( -2.837 0.000 0.000) 2.837 2.605 ( 4.228 0.000 0.000) 4.228 2.649 ( 3.885 0.000 0.000) 3.885 2.752 ( -3.962 0.000 0.000) 3.962 2.763 ( -1.844 0.000 0.000) 1.844 2.808 ( 11.561 0.000 0.000) 11.561 2.835 ( -4.654 0.000 0.000) 4.654 2.975 ( -0.021 0.000 0.000) 0.021 3.022 ( 2.604 0.000 0.000) 2.604 3.074 ( 0.508 0.000 0.000) 0.508 3.152 ( -0.943 0.000 0.000) 0.943 3.202 ( -0.522 0.000 0.000) 0.522 3.293 ( -0.599 0.000 0.000) 0.599 3.338 ( -0.687 0.000 0.000) 0.687 3.349 ( 6.686 0.000 0.000) 6.686 3.402 ( 5.870 0.000 0.000) 5.870 3.447 ( 5.894 0.000 0.000) 5.894 3.451 ( -7.984 0.000 0.000) 7.984 3.473 ( 1.950 0.000 0.000) 1.950 3.584 ( 0.869 0.000 0.000) 0.869 3.669 ( 9.124 0.000 0.000) 9.124 3.692 ( -0.437 0.000 0.000) 0.437 3.700 ( -7.758 0.000 0.000) 7.758 3.765 ( -3.694 0.000 0.000) 3.694 3.820 ( 6.521 0.000 0.000) 6.521 3.874 ( 2.283 0.000 0.000) 2.283 3.893 ( 9.169 0.000 0.000) 9.169 3.961 ( -1.362 0.000 0.000) 1.362 3.979 ( -1.366 0.000 0.000) 1.366 4.025 ( 8.143 0.000 0.000) 8.143 4.036 ( 1.972 0.000 0.000) 1.972 4.078 ( 15.262 0.000 0.000) 15.262 4.241 ( 1.203 0.000 0.000) 1.203 4.252 ( -1.256 0.000 0.000) 1.256 4.318 ( 7.232 0.000 0.000) 7.232 4.380 ( -7.441 0.000 0.000) 7.441 4.431 ( 0.141 0.000 0.000) 0.141 4.481 ( 7.978 0.000 0.000) 7.978 4.541 ( -9.486 0.000 0.000) 9.486 4.556 ( 5.148 0.000 0.000) 5.148 4.600 ( 1.035 0.000 0.000) 1.035 4.710 ( -0.374 0.000 0.000) 0.374 4.878 ( -9.887 0.000 0.000) 9.887 4.908 ( -4.748 0.000 0.000) 4.748 4.941 ( -6.340 0.000 0.000) 6.340 4.968 ( -4.683 0.000 0.000) 4.683 5.014 ( -0.446 0.000 0.000) 0.446 5.058 ( -0.176 0.000 0.000) 0.176 5.085 ( 5.626 0.000 0.000) 5.626 5.113 ( -6.845 0.000 0.000) 6.845 5.138 ( 6.163 0.000 0.000) 6.163 5.197 ( -0.652 0.000 0.000) 0.652 5.219 ( -5.708 0.000 0.000) 5.708 5.246 ( -4.570 0.000 0.000) 4.570 5.309 ( 1.531 0.000 0.000) 1.531 5.398 ( -2.161 0.000 0.000) 2.161 5.512 ( -7.120 0.000 0.000) 7.120 5.609 ( -1.542 0.000 0.000) 1.542 5.706 ( 1.899 0.000 0.000) 1.899 5.728 ( -7.768 0.000 0.000) 7.768 5.792 ( -2.973 0.000 0.000) 2.973 5.815 ( 1.258 0.000 0.000) 1.258 5.816 ( 0.589 0.000 0.000) 0.589 5.927 ( 0.026 0.000 0.000) 0.026 6.009 ( -4.972 0.000 0.000) 4.972 6.034 ( 5.911 0.000 0.000) 5.911 6.115 ( -0.939 0.000 0.000) 0.939 6.145 ( 0.656 0.000 0.000) 0.656 6.162 ( -3.716 0.000 0.000) 3.716 6.183 ( -0.240 0.000 0.000) 0.240 6.214 ( 2.009 0.000 0.000) 2.009 6.224 ( -1.136 0.000 0.000) 1.136 6.371 ( -7.902 0.000 0.000) 7.902 6.375 ( 1.717 0.000 0.000) 1.717 6.390 ( 3.108 0.000 0.000) 3.108 6.458 ( -2.404 0.000 0.000) 2.404 6.471 ( 3.116 0.000 0.000) 3.116 6.601 ( 2.822 0.000 0.000) 2.822 6.640 ( -5.674 0.000 0.000) 5.674 6.705 ( -1.556 0.000 0.000) 1.556 6.710 ( 5.131 0.000 0.000) 5.131 6.730 ( 1.181 0.000 0.000) 1.181 6.815 ( -0.481 0.000 0.000) 0.481 6.826 ( 5.448 0.000 0.000) 5.448 6.995 ( -3.311 0.000 0.000) 3.311 6.996 ( -0.117 0.000 0.000) 0.117 7.163 ( 4.326 0.000 0.000) 4.326 7.271 ( 5.509 0.000 0.000) 5.509 7.285 ( -8.060 0.000 0.000) 8.060 7.288 ( -2.637 0.000 0.000) 2.637 7.307 ( -0.889 0.000 0.000) 0.889 7.351 ( -3.438 0.000 0.000) 3.438 7.428 ( -2.562 0.000 0.000) 2.562 7.496 ( 5.467 0.000 0.000) 5.467 7.564 ( -1.777 0.000 0.000) 1.777 7.641 ( -3.613 0.000 0.000) 3.613 7.728 ( -2.117 0.000 0.000) 2.117 7.789 ( 0.364 0.000 0.000) 0.364 7.792 ( 1.248 0.000 0.000) 1.248 7.860 ( 1.213 0.000 0.000) 1.213 7.928 ( 0.033 0.000 0.000) 0.033 7.961 ( -3.373 0.000 0.000) 3.373 7.977 ( -0.586 0.000 0.000) 0.586 7.987 ( 2.452 0.000 0.000) 2.452 8.110 ( -3.590 0.000 0.000) 3.590 8.179 ( -12.928 0.000 0.000) 12.928 8.211 ( -1.455 0.000 0.000) 1.455 8.225 ( -4.859 0.000 0.000) 4.859 8.358 ( -5.024 0.000 0.000) 5.024 8.464 ( 8.476 0.000 0.000) 8.476 8.577 ( 9.873 0.000 0.000) 9.873 8.673 ( 10.216 0.000 0.000) 10.216 8.845 ( 4.704 0.000 0.000) 4.704 8.846 ( 2.265 0.000 0.000) 2.265 8.868 ( 8.468 0.000 0.000) 8.468 8.945 ( -5.694 0.000 0.000) 5.694 9.142 ( 1.832 0.000 0.000) 1.832 9.168 ( 4.108 0.000 0.000) 4.108 9.362 ( 3.281 0.000 0.000) 3.281 9.485 ( 2.613 0.000 0.000) 2.613 9.542 ( 7.155 0.000 0.000) 7.155 9.619 ( -3.780 0.000 0.000) 3.780 9.621 ( 2.136 0.000 0.000) 2.136 9.766 ( -2.857 0.000 0.000) 2.857 9.793 ( 4.004 0.000 0.000) 4.004 9.908 ( -7.942 0.000 0.000) 7.942 9.926 ( -6.150 0.000 0.000) 6.150 10.033 ( -3.461 0.000 0.000) 3.461 10.332 ( -11.081 0.000 0.000) 11.081 16.690 ( 0.149 0.000 0.000) 0.149 16.719 ( -0.868 0.000 0.000) 0.868 16.766 ( 1.656 0.000 0.000) 1.656 16.809 ( -1.244 0.000 0.000) 1.244 16.813 ( 3.068 0.000 0.000) 3.068 16.908 ( 0.969 0.000 0.000) 0.969 16.918 ( 1.931 0.000 0.000) 1.931 16.966 ( -0.366 0.000 0.000) 0.366 16.993 ( 3.546 0.000 0.000) 3.546 17.012 ( -2.188 0.000 0.000) 2.188 17.075 ( 4.384 0.000 0.000) 4.384 17.081 ( -2.577 0.000 0.000) 2.577 17.150 ( -1.927 0.000 0.000) 1.927 17.156 ( 1.441 0.000 0.000) 1.441 17.166 ( 1.510 0.000 0.000) 1.510 17.189 ( 1.369 0.000 0.000) 1.369 17.214 ( -0.440 0.000 0.000) 0.440 17.282 ( -2.037 0.000 0.000) 2.037 17.317 ( -1.815 0.000 0.000) 1.815 17.319 ( -3.229 0.000 0.000) 3.229 17.361 ( 2.770 0.000 0.000) 2.770 17.466 ( -0.556 0.000 0.000) 0.556 17.496 ( -0.545 0.000 0.000) 0.545 17.570 ( -1.454 0.000 0.000) 1.454 21.633 ( 0.348 0.000 0.000) 0.348 21.638 ( 0.072 0.000 0.000) 0.072 21.764 ( 2.000 0.000 0.000) 2.000 21.904 ( 0.519 0.000 0.000) 0.519 21.939 ( -3.553 0.000 0.000) 3.553 21.952 ( -0.967 0.000 0.000) 0.967 21.999 ( 1.995 0.000 0.000) 1.995 22.151 ( -2.572 0.000 0.000) 2.572 22.194 ( 1.588 0.000 0.000) 1.588 22.238 ( 1.470 0.000 0.000) 1.470 22.241 ( -0.065 0.000 0.000) 0.065 22.261 ( 0.298 0.000 0.000) 0.298 26.939 ( 0.779 0.000 0.000) 0.779 26.940 ( 0.751 0.000 0.000) 0.751 26.947 ( 0.840 0.000 0.000) 0.840 26.951 ( 0.667 0.000 0.000) 0.667 27.000 ( -0.553 0.000 0.000) 0.553 27.009 ( -0.793 0.000 0.000) 0.793 27.012 ( -0.425 0.000 0.000) 0.425 27.014 ( -0.746 0.000 0.000) 0.746 27.373 ( -0.407 0.000 0.000) 0.407 27.384 ( -0.379 0.000 0.000) 0.379 27.435 ( -1.973 0.000 0.000) 1.973 27.444 ( -2.535 0.000 0.000) 2.535 36.119 ( 0.861 0.000 0.000) 0.861 36.158 ( 1.872 0.000 0.000) 1.872 36.196 ( -1.443 0.000 0.000) 1.443 36.298 ( -2.093 0.000 0.000) 2.093 36.400 ( 7.142 0.000 0.000) 7.142 36.458 ( 5.352 0.000 0.000) 5.352 36.680 ( -1.148 0.000 0.000) 1.148 36.793 ( 1.254 0.000 0.000) 1.254 36.836 ( -6.708 0.000 0.000) 6.708 36.957 ( -0.091 0.000 0.000) 0.091 36.972 ( 4.863 0.000 0.000) 4.863 37.169 ( -2.957 0.000 0.000) 2.957 37.366 ( 9.650 0.000 0.000) 9.650 37.442 ( -9.159 0.000 0.000) 9.159 37.452 ( -10.205 0.000 0.000) 10.205 37.492 ( -3.319 0.000 0.000) 3.319 37.776 ( -14.967 0.000 0.000) 14.967 37.785 ( -6.664 0.000 0.000) 6.664 37.794 ( 5.898 0.000 0.000) 5.898 38.350 ( -5.795 0.000 0.000) 5.795 38.715 ( 13.611 0.000 0.000) 13.611 38.845 ( 17.130 0.000 0.000) 17.130 39.027 ( 2.799 0.000 0.000) 2.799 39.525 ( -8.421 0.000 0.000) 8.421 ======================= Grid point 3 (4/36) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 15.639 0.000 0.000) 15.639 1.529 ( 2.138 0.000 0.000) 2.138 1.634 ( 25.864 0.000 0.000) 25.864 1.933 ( -2.621 0.000 0.000) 2.621 1.953 ( 10.835 0.000 0.000) 10.835 1.991 ( -0.038 0.000 0.000) 0.038 2.005 ( -9.113 0.000 0.000) 9.113 2.098 ( 11.008 0.000 0.000) 11.008 2.136 ( -14.580 0.000 0.000) 14.580 2.299 ( -6.765 0.000 0.000) 6.765 2.313 ( 11.368 0.000 0.000) 11.368 2.316 ( 0.770 0.000 0.000) 0.770 2.363 ( -4.089 0.000 0.000) 4.089 2.422 ( -2.001 0.000 0.000) 2.001 2.558 ( -0.262 0.000 0.000) 0.262 2.613 ( -4.792 0.000 0.000) 4.792 2.722 ( 2.314 0.000 0.000) 2.314 2.736 ( 1.928 0.000 0.000) 1.928 2.736 ( 1.608 0.000 0.000) 1.608 2.781 ( -2.022 0.000 0.000) 2.022 2.823 ( 11.322 0.000 0.000) 11.322 3.013 ( 8.070 0.000 0.000) 8.070 3.060 ( -0.257 0.000 0.000) 0.257 3.065 ( 6.039 0.000 0.000) 6.039 3.123 ( 2.705 0.000 0.000) 2.705 3.125 ( -13.351 0.000 0.000) 13.351 3.128 ( -4.047 0.000 0.000) 4.047 3.134 ( -1.677 0.000 0.000) 1.677 3.378 ( 0.756 0.000 0.000) 0.756 3.381 ( 1.622 0.000 0.000) 1.622 3.447 ( 4.678 0.000 0.000) 4.678 3.508 ( 3.529 0.000 0.000) 3.529 3.524 ( 3.005 0.000 0.000) 3.005 3.544 ( -4.217 0.000 0.000) 4.217 3.591 ( -3.902 0.000 0.000) 3.902 3.601 ( -6.035 0.000 0.000) 6.035 3.651 ( 13.944 0.000 0.000) 13.944 3.757 ( 1.100 0.000 0.000) 1.100 3.860 ( 10.404 0.000 0.000) 10.404 3.894 ( 2.532 0.000 0.000) 2.532 3.939 ( -0.015 0.000 0.000) 0.015 3.944 ( -2.275 0.000 0.000) 2.275 3.980 ( -0.710 0.000 0.000) 0.710 4.015 ( 9.882 0.000 0.000) 9.882 4.122 ( -9.210 0.000 0.000) 9.210 4.133 ( 6.050 0.000 0.000) 6.050 4.175 ( 1.418 0.000 0.000) 1.418 4.218 ( -9.781 0.000 0.000) 9.781 4.304 ( 5.830 0.000 0.000) 5.830 4.390 ( 8.350 0.000 0.000) 8.350 4.415 ( -1.813 0.000 0.000) 1.813 4.439 ( 2.180 0.000 0.000) 2.180 4.479 ( 12.885 0.000 0.000) 12.885 4.502 ( -9.950 0.000 0.000) 9.950 4.581 ( -14.313 0.000 0.000) 14.313 4.616 ( 4.541 0.000 0.000) 4.541 4.647 ( 7.981 0.000 0.000) 7.981 4.748 ( -0.432 0.000 0.000) 0.432 4.768 ( -9.073 0.000 0.000) 9.073 4.832 ( -16.778 0.000 0.000) 16.778 4.879 ( 0.765 0.000 0.000) 0.765 4.928 ( -1.817 0.000 0.000) 1.817 5.018 ( 3.549 0.000 0.000) 3.549 5.091 ( 2.225 0.000 0.000) 2.225 5.144 ( -4.475 0.000 0.000) 4.475 5.150 ( -3.831 0.000 0.000) 3.831 5.237 ( 5.142 0.000 0.000) 5.142 5.270 ( 7.107 0.000 0.000) 7.107 5.282 ( 7.633 0.000 0.000) 7.633 5.299 ( -3.981 0.000 0.000) 3.981 5.349 ( -0.001 0.000 0.000) 0.001 5.423 ( -2.266 0.000 0.000) 2.266 5.524 ( -5.403 0.000 0.000) 5.403 5.552 ( -8.917 0.000 0.000) 8.917 5.705 ( -0.286 0.000 0.000) 0.286 5.743 ( -2.380 0.000 0.000) 2.380 5.830 ( 0.726 0.000 0.000) 0.726 5.837 ( 0.451 0.000 0.000) 0.451 5.926 ( -0.253 0.000 0.000) 0.253 5.938 ( -1.596 0.000 0.000) 1.596 6.104 ( -0.207 0.000 0.000) 0.207 6.111 ( -1.221 0.000 0.000) 1.221 6.167 ( 4.370 0.000 0.000) 4.370 6.170 ( 1.824 0.000 0.000) 1.824 6.209 ( -1.721 0.000 0.000) 1.721 6.223 ( 6.181 0.000 0.000) 6.181 6.228 ( -2.663 0.000 0.000) 2.663 6.252 ( -0.145 0.000 0.000) 0.145 6.322 ( -2.721 0.000 0.000) 2.721 6.448 ( -11.084 0.000 0.000) 11.084 6.469 ( 3.617 0.000 0.000) 3.617 6.506 ( 0.080 0.000 0.000) 0.080 6.526 ( 6.391 0.000 0.000) 6.391 6.655 ( -5.158 0.000 0.000) 5.158 6.681 ( 4.512 0.000 0.000) 4.512 6.748 ( -1.379 0.000 0.000) 1.379 6.779 ( 2.724 0.000 0.000) 2.724 6.807 ( -0.612 0.000 0.000) 0.612 6.928 ( 4.545 0.000 0.000) 4.545 6.976 ( 2.279 0.000 0.000) 2.279 6.990 ( -1.368 0.000 0.000) 1.368 7.095 ( -8.847 0.000 0.000) 8.847 7.248 ( -0.606 0.000 0.000) 0.606 7.265 ( 3.651 0.000 0.000) 3.651 7.276 ( -3.181 0.000 0.000) 3.181 7.296 ( -0.491 0.000 0.000) 0.491 7.387 ( 6.357 0.000 0.000) 6.357 7.430 ( 3.241 0.000 0.000) 3.241 7.509 ( -5.103 0.000 0.000) 5.103 7.539 ( -6.248 0.000 0.000) 6.248 7.620 ( 6.909 0.000 0.000) 6.909 7.741 ( 4.938 0.000 0.000) 4.938 7.745 ( -4.900 0.000 0.000) 4.900 7.825 ( 1.849 0.000 0.000) 1.849 7.861 ( -1.235 0.000 0.000) 1.235 7.908 ( -10.678 0.000 0.000) 10.678 7.941 ( 1.156 0.000 0.000) 1.156 7.951 ( 1.651 0.000 0.000) 1.651 7.971 ( -0.277 0.000 0.000) 0.277 7.983 ( -2.686 0.000 0.000) 2.686 8.153 ( 4.497 0.000 0.000) 4.497 8.166 ( -1.125 0.000 0.000) 1.125 8.174 ( -1.618 0.000 0.000) 1.618 8.255 ( -5.347 0.000 0.000) 5.347 8.626 ( 7.403 0.000 0.000) 7.403 8.725 ( 0.933 0.000 0.000) 0.933 8.853 ( 5.657 0.000 0.000) 5.657 8.858 ( 0.524 0.000 0.000) 0.524 8.881 ( 0.889 0.000 0.000) 0.889 8.929 ( -2.069 0.000 0.000) 2.069 8.933 ( 6.159 0.000 0.000) 6.159 9.087 ( -6.805 0.000 0.000) 6.805 9.274 ( 5.826 0.000 0.000) 5.826 9.365 ( -2.673 0.000 0.000) 2.673 9.545 ( 2.847 0.000 0.000) 2.847 9.576 ( -0.795 0.000 0.000) 0.795 9.685 ( 4.319 0.000 0.000) 4.319 9.722 ( -0.799 0.000 0.000) 0.799 9.747 ( 8.749 0.000 0.000) 8.749 9.769 ( -5.458 0.000 0.000) 5.458 9.812 ( -0.999 0.000 0.000) 0.999 9.872 ( 3.676 0.000 0.000) 3.676 9.958 ( -3.737 0.000 0.000) 3.737 10.073 ( -14.459 0.000 0.000) 14.459 16.695 ( 0.363 0.000 0.000) 0.363 16.705 ( -0.615 0.000 0.000) 0.615 16.783 ( 0.344 0.000 0.000) 0.344 16.791 ( -0.594 0.000 0.000) 0.594 16.886 ( 4.052 0.000 0.000) 4.052 16.931 ( 1.209 0.000 0.000) 1.209 16.953 ( -0.961 0.000 0.000) 0.961 16.959 ( 2.192 0.000 0.000) 2.192 16.961 ( -3.178 0.000 0.000) 3.178 17.011 ( -3.382 0.000 0.000) 3.382 17.066 ( 3.535 0.000 0.000) 3.535 17.121 ( -1.859 0.000 0.000) 1.859 17.164 ( 3.914 0.000 0.000) 3.914 17.189 ( 1.827 0.000 0.000) 1.827 17.199 ( 1.877 0.000 0.000) 1.877 17.207 ( -0.713 0.000 0.000) 0.713 17.215 ( 0.316 0.000 0.000) 0.316 17.248 ( -0.437 0.000 0.000) 0.437 17.252 ( -3.371 0.000 0.000) 3.371 17.277 ( -2.132 0.000 0.000) 2.132 17.417 ( 2.517 0.000 0.000) 2.517 17.464 ( -2.293 0.000 0.000) 2.293 17.475 ( 1.849 0.000 0.000) 1.849 17.528 ( -2.744 0.000 0.000) 2.744 21.638 ( 0.167 0.000 0.000) 0.167 21.639 ( 0.041 0.000 0.000) 0.041 21.811 ( 2.723 0.000 0.000) 2.723 21.871 ( -3.276 0.000 0.000) 3.276 21.917 ( 0.767 0.000 0.000) 0.767 21.934 ( -0.897 0.000 0.000) 0.897 22.044 ( 2.517 0.000 0.000) 2.517 22.097 ( -2.773 0.000 0.000) 2.773 22.221 ( 1.065 0.000 0.000) 1.065 22.236 ( -0.458 0.000 0.000) 0.458 22.259 ( 0.624 0.000 0.000) 0.624 22.265 ( 0.009 0.000 0.000) 0.009 26.953 ( 0.504 0.000 0.000) 0.504 26.953 ( 0.504 0.000 0.000) 0.504 26.963 ( 0.616 0.000 0.000) 0.616 26.964 ( 0.525 0.000 0.000) 0.525 26.990 ( -0.291 0.000 0.000) 0.291 26.994 ( -0.618 0.000 0.000) 0.618 27.000 ( -0.516 0.000 0.000) 0.516 27.001 ( -0.522 0.000 0.000) 0.522 27.375 ( 0.609 0.000 0.000) 0.609 27.383 ( 0.400 0.000 0.000) 0.400 27.398 ( -1.640 0.000 0.000) 1.640 27.402 ( -1.530 0.000 0.000) 1.530 36.140 ( 1.210 0.000 0.000) 1.210 36.167 ( -1.459 0.000 0.000) 1.459 36.201 ( 2.457 0.000 0.000) 2.457 36.252 ( -2.542 0.000 0.000) 2.542 36.551 ( 7.063 0.000 0.000) 7.063 36.574 ( 6.222 0.000 0.000) 6.222 36.647 ( -2.652 0.000 0.000) 2.652 36.702 ( -6.685 0.000 0.000) 6.685 36.841 ( 3.661 0.000 0.000) 3.661 36.925 ( -3.842 0.000 0.000) 3.842 37.123 ( 9.960 0.000 0.000) 9.960 37.150 ( 2.676 0.000 0.000) 2.676 37.263 ( -8.133 0.000 0.000) 8.133 37.339 ( -10.734 0.000 0.000) 10.734 37.343 ( 0.545 0.000 0.000) 0.545 37.486 ( -12.634 0.000 0.000) 12.634 37.543 ( 7.897 0.000 0.000) 7.897 37.673 ( -5.457 0.000 0.000) 5.457 37.978 ( 11.085 0.000 0.000) 11.085 38.193 ( -9.852 0.000 0.000) 9.852 38.938 ( 8.523 0.000 0.000) 8.523 39.042 ( -1.951 0.000 0.000) 1.951 39.141 ( 12.607 0.000 0.000) 12.607 39.353 ( -9.224 0.000 0.000) 9.224 ======================= Grid point 7 (5/36) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 0.000 23.993 0.000) 23.993 0.484 ( 0.000 26.864 0.000) 26.864 0.849 ( 0.000 43.300 0.000) 43.300 1.181 ( 0.000 -14.914 0.000) 14.914 1.447 ( 0.000 -19.898 0.000) 19.898 1.596 ( 0.000 17.349 0.000) 17.349 1.621 ( 0.000 2.104 0.000) 2.104 1.924 ( 0.000 0.598 0.000) 0.598 2.109 ( 0.000 3.339 0.000) 3.339 2.225 ( 0.000 7.636 0.000) 7.636 2.278 ( 0.000 -10.795 0.000) 10.795 2.308 ( 0.000 -0.544 0.000) 0.544 2.365 ( 0.000 -10.160 0.000) 10.160 2.403 ( 0.000 -3.469 0.000) 3.469 2.418 ( 0.000 14.131 0.000) 14.131 2.539 ( 0.000 5.634 0.000) 5.634 2.673 ( 0.000 -0.951 0.000) 0.951 2.700 ( 0.000 -14.164 0.000) 14.164 2.760 ( 0.000 -3.328 0.000) 3.328 2.786 ( 0.000 -10.348 0.000) 10.348 2.877 ( 0.000 -6.323 0.000) 6.323 2.921 ( 0.000 -9.291 0.000) 9.291 2.940 ( 0.000 -1.889 0.000) 1.889 2.967 ( 0.000 5.886 0.000) 5.886 3.071 ( 0.000 12.986 0.000) 12.986 3.100 ( 0.000 -8.206 0.000) 8.206 3.142 ( 0.000 1.211 0.000) 1.211 3.197 ( 0.000 0.296 0.000) 0.296 3.218 ( 0.000 -0.590 0.000) 0.590 3.243 ( 0.000 -2.728 0.000) 2.728 3.265 ( 0.000 1.382 0.000) 1.382 3.308 ( 0.000 -2.677 0.000) 2.677 3.328 ( 0.000 -0.345 0.000) 0.345 3.465 ( 0.000 -8.928 0.000) 8.928 3.498 ( 0.000 5.226 0.000) 5.226 3.608 ( 0.000 3.821 0.000) 3.821 3.663 ( 0.000 -3.262 0.000) 3.262 3.687 ( 0.000 6.184 0.000) 6.184 3.747 ( 0.000 7.299 0.000) 7.299 3.766 ( 0.000 -4.435 0.000) 4.435 3.782 ( 0.000 3.705 0.000) 3.705 3.822 ( 0.000 -3.915 0.000) 3.915 3.881 ( 0.000 1.954 0.000) 1.954 4.004 ( 0.000 -2.177 0.000) 2.177 4.014 ( 0.000 2.364 0.000) 2.364 4.026 ( 0.000 1.095 0.000) 1.095 4.148 ( 0.000 3.436 0.000) 3.436 4.164 ( 0.000 -1.579 0.000) 1.579 4.229 ( 0.000 -3.962 0.000) 3.962 4.259 ( 0.000 -10.854 0.000) 10.854 4.310 ( 0.000 8.954 0.000) 8.954 4.377 ( 0.000 13.584 0.000) 13.584 4.592 ( 0.000 -5.431 0.000) 5.431 4.600 ( 0.000 5.990 0.000) 5.990 4.645 ( 0.000 -4.294 0.000) 4.294 4.652 ( 0.000 0.942 0.000) 0.942 4.686 ( 0.000 7.160 0.000) 7.160 4.811 ( 0.000 0.838 0.000) 0.838 4.892 ( 0.000 0.232 0.000) 0.232 4.969 ( 0.000 -7.288 0.000) 7.288 5.023 ( 0.000 -5.393 0.000) 5.393 5.092 ( 0.000 -8.260 0.000) 8.260 5.121 ( 0.000 2.135 0.000) 2.135 5.146 ( 0.000 3.943 0.000) 3.943 5.170 ( 0.000 1.845 0.000) 1.845 5.219 ( 0.000 2.576 0.000) 2.576 5.271 ( 0.000 -6.336 0.000) 6.336 5.305 ( 0.000 -2.591 0.000) 2.591 5.422 ( 0.000 4.796 0.000) 4.796 5.485 ( 0.000 1.536 0.000) 1.536 5.514 ( 0.000 1.516 0.000) 1.516 5.558 ( 0.000 4.871 0.000) 4.871 5.653 ( 0.000 -2.759 0.000) 2.759 5.673 ( 0.000 3.896 0.000) 3.896 5.699 ( 0.000 -3.521 0.000) 3.521 5.779 ( 0.000 -2.466 0.000) 2.466 5.927 ( 0.000 0.024 0.000) 0.024 6.006 ( 0.000 1.196 0.000) 1.196 6.026 ( 0.000 -2.622 0.000) 2.622 6.045 ( 0.000 4.084 0.000) 4.084 6.059 ( 0.000 0.878 0.000) 0.878 6.122 ( 0.000 -1.711 0.000) 1.711 6.122 ( 0.000 0.918 0.000) 0.918 6.136 ( 0.000 -0.379 0.000) 0.379 6.157 ( 0.000 -0.641 0.000) 0.641 6.210 ( 0.000 -2.016 0.000) 2.016 6.241 ( 0.000 3.387 0.000) 3.387 6.287 ( 0.000 1.011 0.000) 1.011 6.412 ( 0.000 -5.388 0.000) 5.388 6.439 ( 0.000 7.532 0.000) 7.532 6.520 ( 0.000 -7.960 0.000) 7.960 6.593 ( 0.000 0.444 0.000) 0.444 6.623 ( 0.000 1.005 0.000) 1.005 6.644 ( 0.000 -2.278 0.000) 2.278 6.646 ( 0.000 0.686 0.000) 0.686 6.681 ( 0.000 6.216 0.000) 6.216 6.724 ( 0.000 -1.637 0.000) 1.637 6.892 ( 0.000 -1.742 0.000) 1.742 6.986 ( 0.000 -2.562 0.000) 2.562 7.032 ( 0.000 -4.054 0.000) 4.054 7.125 ( 0.000 2.342 0.000) 2.342 7.133 ( 0.000 3.208 0.000) 3.208 7.222 ( 0.000 -2.978 0.000) 2.978 7.341 ( 0.000 -4.980 0.000) 4.980 7.366 ( 0.000 2.039 0.000) 2.039 7.398 ( 0.000 0.967 0.000) 0.967 7.418 ( 0.000 0.397 0.000) 0.397 7.426 ( 0.000 3.510 0.000) 3.510 7.527 ( 0.000 -3.376 0.000) 3.376 7.604 ( 0.000 -6.086 0.000) 6.086 7.660 ( 0.000 0.622 0.000) 0.622 7.757 ( 0.000 -0.424 0.000) 0.424 7.821 ( 0.000 4.174 0.000) 4.174 7.851 ( 0.000 5.896 0.000) 5.896 7.876 ( 0.000 9.458 0.000) 9.458 7.903 ( 0.000 1.521 0.000) 1.521 7.977 ( 0.000 -4.716 0.000) 4.716 7.979 ( 0.000 -1.629 0.000) 1.629 8.048 ( 0.000 -2.227 0.000) 2.227 8.194 ( 0.000 -4.159 0.000) 4.159 8.203 ( 0.000 2.907 0.000) 2.907 8.313 ( 0.000 -3.363 0.000) 3.363 8.375 ( 0.000 2.605 0.000) 2.605 8.399 ( 0.000 1.004 0.000) 1.004 8.430 ( 0.000 2.655 0.000) 2.655 8.501 ( 0.000 -0.196 0.000) 0.196 8.557 ( 0.000 1.920 0.000) 1.920 8.560 ( 0.000 -1.355 0.000) 1.355 8.631 ( 0.000 -1.156 0.000) 1.156 8.680 ( 0.000 -8.903 0.000) 8.903 8.769 ( 0.000 6.205 0.000) 6.205 9.008 ( 0.000 -3.071 0.000) 3.071 9.130 ( 0.000 2.620 0.000) 2.620 9.261 ( 0.000 7.658 0.000) 7.658 9.311 ( 0.000 -6.913 0.000) 6.913 9.535 ( 0.000 -5.232 0.000) 5.232 9.573 ( 0.000 7.230 0.000) 7.230 9.727 ( 0.000 0.506 0.000) 0.506 9.737 ( 0.000 0.431 0.000) 0.431 9.795 ( 0.000 -4.361 0.000) 4.361 10.083 ( 0.000 0.788 0.000) 0.788 10.098 ( 0.000 0.282 0.000) 0.282 10.152 ( 0.000 3.277 0.000) 3.277 10.292 ( 0.000 -2.935 0.000) 2.935 16.701 ( 0.000 1.456 0.000) 1.456 16.713 ( 0.000 0.071 0.000) 0.071 16.718 ( 0.000 -0.171 0.000) 0.171 16.768 ( 0.000 0.807 0.000) 0.807 16.804 ( 0.000 -3.707 0.000) 3.707 16.833 ( 0.000 -2.694 0.000) 2.694 16.877 ( 0.000 0.848 0.000) 0.848 16.903 ( 0.000 0.107 0.000) 0.107 17.000 ( 0.000 2.475 0.000) 2.475 17.008 ( 0.000 2.114 0.000) 2.114 17.049 ( 0.000 -0.183 0.000) 0.183 17.091 ( 0.000 -2.170 0.000) 2.170 17.122 ( 0.000 0.326 0.000) 0.326 17.147 ( 0.000 -0.912 0.000) 0.912 17.165 ( 0.000 2.180 0.000) 2.180 17.201 ( 0.000 2.113 0.000) 2.113 17.260 ( 0.000 -3.077 0.000) 3.077 17.291 ( 0.000 -3.004 0.000) 3.004 17.338 ( 0.000 0.703 0.000) 0.703 17.388 ( 0.000 -1.156 0.000) 1.156 17.398 ( 0.000 3.104 0.000) 3.104 17.467 ( 0.000 3.449 0.000) 3.449 17.479 ( 0.000 -1.131 0.000) 1.131 17.576 ( 0.000 -1.868 0.000) 1.868 21.634 ( 0.000 1.262 0.000) 1.262 21.655 ( 0.000 1.279 0.000) 1.279 21.703 ( 0.000 -1.893 0.000) 1.893 21.728 ( 0.000 -2.061 0.000) 2.061 21.909 ( 0.000 1.305 0.000) 1.305 21.949 ( 0.000 -0.594 0.000) 0.594 22.158 ( 0.000 0.912 0.000) 0.912 22.175 ( 0.000 -0.209 0.000) 0.209 22.236 ( 0.000 2.741 0.000) 2.741 22.242 ( 0.000 0.225 0.000) 0.225 22.251 ( 0.000 -0.167 0.000) 0.167 22.363 ( 0.000 -2.640 0.000) 2.640 26.922 ( 0.000 0.001 0.000) 0.001 26.923 ( 0.000 0.246 0.000) 0.246 26.924 ( 0.000 -0.074 0.000) 0.074 26.934 ( 0.000 -0.270 0.000) 0.270 27.015 ( 0.000 0.066 0.000) 0.066 27.016 ( 0.000 -0.006 0.000) 0.006 27.028 ( 0.000 0.066 0.000) 0.066 27.031 ( 0.000 -0.081 0.000) 0.081 27.395 ( 0.000 0.063 0.000) 0.063 27.398 ( 0.000 -0.069 0.000) 0.069 27.489 ( 0.000 0.532 0.000) 0.532 27.513 ( 0.000 -0.535 0.000) 0.535 36.105 ( 0.000 0.282 0.000) 0.282 36.117 ( 0.000 -0.256 0.000) 0.256 36.232 ( 0.000 0.124 0.000) 0.124 36.249 ( 0.000 -0.655 0.000) 0.655 36.338 ( 0.000 0.554 0.000) 0.554 36.349 ( 0.000 0.096 0.000) 0.096 36.706 ( 0.000 -0.423 0.000) 0.423 36.712 ( 0.000 -1.031 0.000) 1.031 37.019 ( 0.000 0.760 0.000) 0.760 37.028 ( 0.000 0.628 0.000) 0.628 37.051 ( 0.000 -0.610 0.000) 0.610 37.057 ( 0.000 -0.613 0.000) 0.613 37.097 ( 0.000 7.346 0.000) 7.346 37.481 ( 0.000 -12.601 0.000) 12.601 37.952 ( 0.000 0.438 0.000) 0.438 37.973 ( 0.000 8.613 0.000) 8.613 37.975 ( 0.000 -0.564 0.000) 0.564 38.059 ( 0.000 -0.221 0.000) 0.221 38.143 ( 0.000 4.370 0.000) 4.370 38.180 ( 0.000 0.275 0.000) 0.275 38.194 ( 0.000 -0.335 0.000) 0.335 38.417 ( 0.000 -5.260 0.000) 5.260 39.048 ( 0.000 1.457 0.000) 1.457 39.136 ( 0.000 -2.494 0.000) 2.494 ======================= Grid point 8 (6/36) ======================= q-point: ( 0.14 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 21.122 15.041 0.000) 25.930 0.790 ( 18.829 21.125 0.000) 28.298 1.214 ( 31.516 21.362 0.000) 38.074 1.262 ( 8.016 -11.827 0.000) 14.287 1.574 ( 10.838 -14.885 0.000) 18.413 1.632 ( 3.851 16.315 0.000) 16.763 1.726 ( 10.155 0.722 0.000) 10.181 1.985 ( 6.469 2.459 0.000) 6.921 2.169 ( 2.597 3.893 0.000) 4.679 2.247 ( 4.282 -3.265 0.000) 5.384 2.259 ( -5.938 6.331 0.000) 8.680 2.333 ( 4.505 -1.670 0.000) 4.805 2.424 ( 4.371 -7.937 0.000) 9.061 2.451 ( 4.786 10.955 0.000) 11.955 2.459 ( 4.984 -4.412 0.000) 6.656 2.516 ( 3.043 6.087 0.000) 6.805 2.659 ( 0.348 -0.168 0.000) 0.386 2.692 ( -5.409 -1.116 0.000) 5.523 2.720 ( -6.440 -7.043 0.000) 9.543 2.738 ( 1.736 -6.680 0.000) 6.902 2.797 ( -3.642 -7.608 0.000) 8.435 2.952 ( 3.718 -12.479 0.000) 13.021 2.972 ( -5.660 7.441 0.000) 9.349 2.998 ( 0.885 5.262 0.000) 5.336 3.012 ( 3.616 -3.696 0.000) 5.171 3.123 ( -2.247 2.155 0.000) 3.114 3.169 ( 3.520 -6.508 0.000) 7.399 3.213 ( 2.776 0.319 0.000) 2.795 3.253 ( -1.902 0.670 0.000) 2.016 3.265 ( 1.307 -1.111 0.000) 1.716 3.295 ( 7.308 -2.376 0.000) 7.685 3.331 ( 4.915 -2.205 0.000) 5.387 3.417 ( 3.992 -7.350 0.000) 8.364 3.493 ( 3.105 -3.732 0.000) 4.855 3.522 ( -0.991 4.995 0.000) 5.092 3.571 ( 0.864 5.515 0.000) 5.582 3.684 ( 3.436 2.016 0.000) 3.984 3.702 ( -1.442 2.435 0.000) 2.830 3.770 ( 4.008 1.693 0.000) 4.351 3.819 ( -1.663 -2.759 0.000) 3.222 3.820 ( 1.002 -3.996 0.000) 4.120 3.840 ( 0.390 5.153 0.000) 5.168 3.908 ( 8.757 -2.486 0.000) 9.103 3.955 ( -2.750 -0.663 0.000) 2.829 4.021 ( -0.452 0.262 0.000) 0.523 4.036 ( -5.358 1.666 0.000) 5.611 4.063 ( 2.482 3.291 0.000) 4.122 4.221 ( 3.214 0.666 0.000) 3.282 4.269 ( 1.462 -0.959 0.000) 1.749 4.289 ( 0.239 4.676 0.000) 4.682 4.328 ( 4.323 -7.534 0.000) 8.686 4.337 ( -2.352 5.011 0.000) 5.535 4.503 ( -1.937 6.291 0.000) 6.582 4.581 ( -0.103 1.447 0.000) 1.451 4.604 ( -0.749 5.288 0.000) 5.341 4.679 ( 0.269 0.804 0.000) 0.848 4.747 ( -5.837 1.108 0.000) 5.941 4.890 ( 9.031 -2.410 0.000) 9.347 4.892 ( 0.796 -0.477 0.000) 0.928 4.912 ( -1.316 -5.484 0.000) 5.640 5.028 ( -2.307 -5.064 0.000) 5.564 5.055 ( -5.124 -4.340 0.000) 6.715 5.065 ( -4.974 2.206 0.000) 5.441 5.123 ( 0.981 1.228 0.000) 1.571 5.126 ( -6.110 3.527 0.000) 7.055 5.190 ( -2.681 -1.764 0.000) 3.209 5.213 ( -2.460 -3.031 0.000) 3.904 5.248 ( -5.463 -3.492 0.000) 6.484 5.424 ( 0.201 6.566 0.000) 6.569 5.440 ( -4.421 7.646 0.000) 8.832 5.512 ( 1.659 -1.871 0.000) 2.500 5.525 ( -2.369 7.098 0.000) 7.483 5.652 ( -2.117 2.591 0.000) 3.346 5.715 ( 3.097 -6.269 0.000) 6.992 5.716 ( -4.839 -0.366 0.000) 4.853 5.738 ( 2.464 -2.901 0.000) 3.806 5.903 ( -1.086 3.366 0.000) 3.536 5.916 ( -4.348 4.687 0.000) 6.393 5.972 ( -3.253 0.899 0.000) 3.375 6.015 ( -3.185 1.852 0.000) 3.685 6.023 ( -0.336 -0.912 0.000) 0.972 6.089 ( 2.564 -2.607 0.000) 3.657 6.143 ( 0.179 0.424 0.000) 0.460 6.145 ( -0.766 -0.611 0.000) 0.980 6.203 ( -0.502 -1.570 0.000) 1.648 6.212 ( -4.130 -3.778 0.000) 5.597 6.294 ( 1.895 0.781 0.000) 2.049 6.302 ( 4.923 3.753 0.000) 6.191 6.382 ( -1.429 -2.614 0.000) 2.979 6.427 ( -1.430 5.274 0.000) 5.464 6.516 ( -1.545 -4.593 0.000) 4.846 6.557 ( -3.718 2.143 0.000) 4.292 6.593 ( -1.527 -0.284 0.000) 1.553 6.596 ( -2.873 0.223 0.000) 2.882 6.658 ( 2.525 -4.733 0.000) 5.364 6.698 ( 2.166 6.045 0.000) 6.422 6.731 ( 0.098 -0.992 0.000) 0.997 6.825 ( -1.612 5.068 0.000) 5.318 6.927 ( -7.638 2.117 0.000) 7.926 6.980 ( -0.536 -2.578 0.000) 2.633 7.108 ( -2.204 4.164 0.000) 4.711 7.126 ( -2.024 3.685 0.000) 4.204 7.179 ( 3.978 1.783 0.000) 4.359 7.278 ( -0.802 -1.851 0.000) 2.017 7.314 ( -1.885 -3.640 0.000) 4.099 7.384 ( 0.291 -1.188 0.000) 1.223 7.417 ( 0.559 1.540 0.000) 1.639 7.418 ( -0.890 2.932 0.000) 3.064 7.506 ( -2.525 -1.399 0.000) 2.886 7.555 ( -3.246 -4.676 0.000) 5.693 7.699 ( 1.917 -0.780 0.000) 2.069 7.756 ( -0.448 2.823 0.000) 2.859 7.815 ( -0.549 1.762 0.000) 1.845 7.840 ( -3.031 5.507 0.000) 6.286 7.850 ( -0.152 2.792 0.000) 2.796 7.938 ( 1.911 1.071 0.000) 2.191 7.954 ( -1.161 0.781 0.000) 1.399 7.965 ( -0.517 -2.039 0.000) 2.103 8.030 ( -2.827 -2.548 0.000) 3.806 8.152 ( -2.908 -3.726 0.000) 4.726 8.235 ( 2.849 4.571 0.000) 5.386 8.323 ( -1.306 2.408 0.000) 2.739 8.369 ( -0.211 0.531 0.000) 0.572 8.411 ( 2.386 -3.011 0.000) 3.842 8.436 ( -12.898 -3.096 0.000) 13.265 8.465 ( 2.300 -2.157 0.000) 3.153 8.466 ( -1.785 1.042 0.000) 2.067 8.648 ( 6.938 -9.967 0.000) 12.144 8.677 ( 9.955 2.442 0.000) 10.250 8.732 ( 6.658 -0.344 0.000) 6.667 9.013 ( 8.139 1.178 0.000) 8.223 9.133 ( 6.428 0.789 0.000) 6.476 9.143 ( 1.490 2.852 0.000) 3.218 9.260 ( 2.144 5.737 0.000) 6.124 9.328 ( 1.842 -6.838 0.000) 7.082 9.536 ( -0.038 -5.647 0.000) 5.647 9.580 ( 0.805 6.702 0.000) 6.750 9.719 ( -2.094 1.404 0.000) 2.521 9.734 ( 1.077 0.250 0.000) 1.105 9.780 ( -1.481 -3.837 0.000) 4.113 10.043 ( -3.662 1.338 0.000) 3.898 10.081 ( -1.979 -0.395 0.000) 2.018 10.096 ( -5.173 4.281 0.000) 6.715 10.356 ( -0.056 -10.498 0.000) 10.498 16.700 ( -0.054 1.361 0.000) 1.362 16.730 ( 1.415 0.138 0.000) 1.421 16.745 ( 0.206 -0.133 0.000) 0.245 16.747 ( 1.302 0.282 0.000) 1.332 16.796 ( -0.748 -3.388 0.000) 3.469 16.827 ( -0.002 -3.394 0.000) 3.394 16.913 ( 2.764 1.009 0.000) 2.942 16.946 ( 2.973 -0.210 0.000) 2.980 16.998 ( -0.210 2.345 0.000) 2.355 17.025 ( 1.445 1.872 0.000) 2.365 17.045 ( -0.713 -0.159 0.000) 0.731 17.100 ( 0.850 -1.995 0.000) 2.169 17.108 ( -0.936 0.645 0.000) 1.137 17.155 ( 0.325 -1.285 0.000) 1.326 17.175 ( 0.901 2.163 0.000) 2.343 17.191 ( -1.069 0.912 0.000) 1.405 17.249 ( -2.851 -1.652 0.000) 3.294 17.269 ( 0.828 -3.109 0.000) 3.218 17.316 ( -1.528 1.113 0.000) 1.890 17.378 ( -1.566 -0.410 0.000) 1.619 17.395 ( -0.332 3.074 0.000) 3.092 17.472 ( -0.663 -1.064 0.000) 1.254 17.492 ( 1.618 1.842 0.000) 2.452 17.573 ( -0.314 -1.604 0.000) 1.634 21.638 ( 0.340 1.319 0.000) 1.362 21.653 ( 0.038 1.734 0.000) 1.734 21.711 ( 0.837 -2.100 0.000) 2.261 21.783 ( 2.710 -6.908 0.000) 7.421 21.914 ( 0.467 1.543 0.000) 1.612 21.961 ( 1.095 -0.706 0.000) 1.303 22.148 ( -2.408 1.664 0.000) 2.927 22.177 ( -0.327 -0.676 0.000) 0.751 22.212 ( -2.181 3.818 0.000) 4.397 22.243 ( 0.090 0.260 0.000) 0.276 22.253 ( 0.231 -0.193 0.000) 0.301 22.254 ( -3.127 3.415 0.000) 4.630 26.927 ( 0.491 0.010 0.000) 0.491 26.928 ( 0.495 0.209 0.000) 0.538 26.930 ( 0.585 -0.191 0.000) 0.615 26.938 ( 0.372 -0.245 0.000) 0.445 27.013 ( -0.317 0.228 0.000) 0.391 27.017 ( -0.007 0.011 0.000) 0.013 27.023 ( -0.492 0.080 0.000) 0.499 27.026 ( -0.469 -0.076 0.000) 0.475 27.387 ( -0.654 0.115 0.000) 0.664 27.392 ( -0.494 -0.128 0.000) 0.510 27.467 ( -1.643 0.126 0.000) 1.648 27.488 ( -2.227 -0.576 0.000) 2.300 36.110 ( 0.498 0.350 0.000) 0.608 36.126 ( 0.881 -0.348 0.000) 0.947 36.226 ( -0.678 0.579 0.000) 0.892 36.270 ( 1.491 -1.712 0.000) 2.270 36.349 ( 1.013 1.265 0.000) 1.621 36.370 ( 2.971 -0.025 0.000) 2.971 36.691 ( -0.804 -0.484 0.000) 0.939 36.729 ( 0.318 -2.898 0.000) 2.915 36.944 ( -1.501 0.655 0.000) 1.637 36.972 ( -2.345 -0.571 0.000) 2.414 37.051 ( -4.535 7.822 0.000) 9.042 37.168 ( 4.664 0.170 0.000) 4.667 37.174 ( 8.312 -0.066 0.000) 8.312 37.408 ( -4.706 -9.846 0.000) 10.913 37.721 ( -13.617 1.557 0.000) 13.706 37.783 ( -9.956 14.704 0.000) 17.758 37.795 ( -8.650 -1.692 0.000) 8.813 37.972 ( -6.272 1.301 0.000) 6.406 38.062 ( -7.751 6.926 0.000) 10.395 38.391 ( -2.526 -4.482 0.000) 5.145 38.427 ( 16.092 0.923 0.000) 16.119 38.471 ( 18.414 -0.999 0.000) 18.441 39.002 ( 2.386 4.657 0.000) 5.233 39.420 ( 6.072 -18.863 0.000) 19.816 ======================= Grid point 9 (7/36) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 26.097 8.037 0.000) 27.307 1.170 ( 19.458 15.972 0.000) 25.174 1.471 ( 11.784 -2.236 0.000) 11.994 1.711 ( 13.929 -8.848 0.000) 16.501 1.755 ( 8.436 11.020 0.000) 13.879 1.847 ( 16.019 2.143 0.000) 16.162 1.984 ( 14.365 -2.165 0.000) 14.527 2.110 ( -2.192 4.464 0.000) 4.973 2.173 ( -2.649 2.694 0.000) 3.778 2.206 ( 8.347 8.603 0.000) 11.987 2.299 ( -0.088 -7.147 0.000) 7.148 2.372 ( -3.617 -4.895 0.000) 6.087 2.507 ( 2.038 2.389 0.000) 3.140 2.515 ( -5.728 3.341 0.000) 6.631 2.536 ( -4.445 -3.501 0.000) 5.659 2.548 ( 4.161 -2.969 0.000) 5.112 2.627 ( 2.563 1.898 0.000) 3.189 2.682 ( 9.471 3.073 0.000) 9.957 2.738 ( -1.576 -3.877 0.000) 4.185 2.778 ( 0.795 -1.613 0.000) 1.798 2.781 ( 10.037 -3.044 0.000) 10.489 2.826 ( -7.459 5.402 0.000) 9.210 2.997 ( 1.671 0.087 0.000) 1.673 3.030 ( 0.268 0.233 0.000) 0.355 3.055 ( 1.368 -7.475 0.000) 7.599 3.079 ( -1.498 -0.070 0.000) 1.499 3.204 ( 0.301 -1.605 0.000) 1.633 3.267 ( 4.308 -4.458 0.000) 6.200 3.288 ( 1.204 -1.333 0.000) 1.796 3.339 ( 8.292 1.345 0.000) 8.401 3.380 ( -4.450 -4.061 0.000) 6.024 3.444 ( 7.170 -0.674 0.000) 7.202 3.480 ( 3.119 2.814 0.000) 4.201 3.513 ( 5.834 5.761 0.000) 8.200 3.572 ( 3.118 -5.459 0.000) 6.287 3.643 ( -5.420 1.673 0.000) 5.672 3.649 ( 8.330 -0.683 0.000) 8.358 3.726 ( -5.148 -0.534 0.000) 5.176 3.766 ( 4.173 -5.035 0.000) 6.540 3.852 ( 3.894 -3.066 0.000) 4.956 3.858 ( -1.613 9.089 0.000) 9.231 3.890 ( 7.065 1.925 0.000) 7.323 3.925 ( -2.041 -1.067 0.000) 2.303 3.963 ( -0.924 -2.302 0.000) 2.481 4.048 ( 5.127 1.624 0.000) 5.378 4.075 ( 6.296 2.888 0.000) 6.927 4.101 ( 3.223 -0.618 0.000) 3.282 4.243 ( -2.760 -0.501 0.000) 2.806 4.253 ( -1.555 -0.028 0.000) 1.556 4.343 ( 7.253 2.372 0.000) 7.632 4.357 ( -4.295 -3.283 0.000) 5.406 4.431 ( 6.941 -3.949 0.000) 7.986 4.526 ( 3.729 8.434 0.000) 9.222 4.578 ( -4.753 3.295 0.000) 5.783 4.589 ( -0.987 3.965 0.000) 4.086 4.607 ( 1.489 2.014 0.000) 2.505 4.692 ( -1.069 -1.772 0.000) 2.070 4.851 ( -4.975 -3.605 0.000) 6.144 4.914 ( -6.533 -3.342 0.000) 7.338 4.919 ( -2.744 -0.399 0.000) 2.773 4.956 ( -0.153 -5.741 0.000) 5.743 4.960 ( -5.365 0.193 0.000) 5.368 4.976 ( -3.970 -3.180 0.000) 5.087 5.044 ( -5.885 -3.220 0.000) 6.708 5.059 ( -0.919 -2.870 0.000) 3.014 5.142 ( -5.023 -3.040 0.000) 5.871 5.181 ( -0.024 1.845 0.000) 1.845 5.239 ( 6.959 2.103 0.000) 7.270 5.375 ( -2.034 4.861 0.000) 5.270 5.385 ( -4.213 9.677 0.000) 10.554 5.483 ( -1.868 6.535 0.000) 6.797 5.499 ( -6.527 -1.156 0.000) 6.628 5.575 ( -1.169 -1.131 0.000) 1.627 5.682 ( -0.585 -2.845 0.000) 2.904 5.692 ( -4.953 -3.989 0.000) 6.360 5.726 ( -3.948 -5.181 0.000) 6.514 5.881 ( 0.396 5.562 0.000) 5.576 5.900 ( 0.498 6.646 0.000) 6.665 5.952 ( 1.129 2.372 0.000) 2.627 6.017 ( -1.804 0.194 0.000) 1.814 6.024 ( 4.847 -0.902 0.000) 4.930 6.087 ( -0.844 -2.966 0.000) 3.083 6.108 ( -3.446 -2.809 0.000) 4.446 6.135 ( -0.639 -1.129 0.000) 1.297 6.175 ( 1.924 -0.642 0.000) 2.028 6.211 ( 1.394 -0.976 0.000) 1.702 6.276 ( -1.366 3.320 0.000) 3.590 6.350 ( -4.297 -1.681 0.000) 4.614 6.369 ( -0.097 1.779 0.000) 1.782 6.409 ( -0.013 0.565 0.000) 0.566 6.467 ( 0.052 0.225 0.000) 0.231 6.477 ( -2.462 1.065 0.000) 2.682 6.584 ( -1.592 -4.018 0.000) 4.322 6.589 ( 1.947 -1.551 0.000) 2.489 6.724 ( 2.206 -2.502 0.000) 3.336 6.746 ( -1.066 3.285 0.000) 3.453 6.761 ( 4.898 -2.363 0.000) 5.438 6.790 ( -3.818 2.904 0.000) 4.797 6.847 ( 1.950 5.946 0.000) 6.258 6.983 ( 0.781 -1.365 0.000) 1.572 7.067 ( -1.491 6.174 0.000) 6.351 7.140 ( 2.864 -2.196 0.000) 3.609 7.194 ( -4.010 -3.460 0.000) 5.297 7.285 ( -1.028 -3.052 0.000) 3.220 7.290 ( 2.771 1.501 0.000) 3.151 7.358 ( -2.608 0.558 0.000) 2.667 7.376 ( -3.444 2.335 0.000) 4.161 7.441 ( -1.506 2.155 0.000) 2.628 7.489 ( 5.004 -0.466 0.000) 5.025 7.501 ( -2.164 -4.386 0.000) 4.891 7.698 ( -3.542 3.263 0.000) 4.816 7.734 ( 0.086 2.664 0.000) 2.666 7.797 ( -0.408 1.322 0.000) 1.384 7.809 ( -0.928 0.340 0.000) 0.988 7.850 ( 0.784 -1.169 0.000) 1.408 7.931 ( -0.544 -1.238 0.000) 1.353 7.946 ( -1.766 -0.754 0.000) 1.920 7.973 ( -1.999 -0.835 0.000) 2.166 7.983 ( 0.966 0.663 0.000) 1.171 8.093 ( -2.527 -2.132 0.000) 3.306 8.181 ( -11.051 0.781 0.000) 11.079 8.223 ( -4.925 -0.474 0.000) 4.948 8.226 ( -2.368 1.664 0.000) 2.894 8.326 ( -4.404 -2.963 0.000) 5.308 8.502 ( 8.879 3.660 0.000) 9.604 8.589 ( 8.915 1.427 0.000) 9.029 8.644 ( 10.282 -2.964 0.000) 10.700 8.736 ( 2.768 -7.014 0.000) 7.541 8.847 ( 5.027 0.363 0.000) 5.040 8.868 ( 7.246 -0.188 0.000) 7.248 9.050 ( -2.632 6.533 0.000) 7.043 9.177 ( -1.050 2.313 0.000) 2.540 9.200 ( 4.396 3.475 0.000) 5.604 9.347 ( 3.858 -0.077 0.000) 3.859 9.395 ( 5.094 -6.380 0.000) 8.164 9.530 ( -0.528 -5.922 0.000) 5.945 9.617 ( 3.562 4.758 0.000) 5.943 9.681 ( -0.660 2.800 0.000) 2.876 9.744 ( -1.790 -2.240 0.000) 2.867 9.764 ( 1.377 -2.262 0.000) 2.648 9.947 ( -5.735 2.094 0.000) 6.105 9.978 ( -5.877 6.462 0.000) 8.735 10.021 ( -3.848 -1.320 0.000) 4.068 10.260 ( -8.682 -7.162 0.000) 11.255 16.700 ( 0.043 1.142 0.000) 1.143 16.724 ( -0.798 0.588 0.000) 0.991 16.762 ( 0.777 -0.675 0.000) 1.029 16.779 ( -0.802 -2.723 0.000) 2.839 16.804 ( 3.460 -0.517 0.000) 3.498 16.849 ( 2.174 -2.921 0.000) 3.641 16.969 ( 2.417 2.233 0.000) 3.291 16.987 ( -1.094 1.704 0.000) 2.025 17.010 ( 3.478 1.113 0.000) 3.652 17.014 ( -2.213 0.145 0.000) 2.218 17.071 ( 3.390 0.038 0.000) 3.391 17.085 ( -2.311 0.486 0.000) 2.361 17.122 ( 1.444 -1.899 0.000) 2.386 17.131 ( -1.412 -1.699 0.000) 2.209 17.187 ( 0.644 0.261 0.000) 0.695 17.200 ( 1.557 2.126 0.000) 2.635 17.224 ( 0.024 -0.577 0.000) 0.577 17.277 ( -2.376 1.121 0.000) 2.627 17.285 ( 0.350 -2.464 0.000) 2.489 17.330 ( -3.029 0.126 0.000) 3.031 17.395 ( 0.676 2.482 0.000) 2.572 17.458 ( -0.471 -0.899 0.000) 1.015 17.504 ( -0.606 1.007 0.000) 1.175 17.558 ( -1.336 -1.220 0.000) 1.809 21.646 ( 0.455 1.499 0.000) 1.566 21.656 ( 0.139 2.028 0.000) 2.033 21.734 ( 1.428 -2.726 0.000) 3.078 21.808 ( 0.035 -6.755 0.000) 6.755 21.928 ( 1.043 2.150 0.000) 2.389 21.991 ( 1.890 -0.932 0.000) 2.108 22.066 ( -4.126 4.720 0.000) 6.269 22.142 ( -2.638 -0.882 0.000) 2.781 22.211 ( 1.027 1.743 0.000) 2.023 22.245 ( 0.012 0.371 0.000) 0.371 22.246 ( 0.638 0.483 0.000) 0.800 22.259 ( 0.270 -0.256 0.000) 0.373 26.940 ( 0.756 0.026 0.000) 0.756 26.941 ( 0.740 0.134 0.000) 0.752 26.945 ( 0.811 -0.233 0.000) 0.844 26.948 ( 0.654 -0.222 0.000) 0.691 27.004 ( -0.548 0.386 0.000) 0.670 27.010 ( -0.750 0.129 0.000) 0.761 27.012 ( -0.436 -0.004 0.000) 0.436 27.014 ( -0.723 -0.053 0.000) 0.725 27.375 ( -0.417 0.144 0.000) 0.441 27.382 ( -0.397 -0.187 0.000) 0.439 27.431 ( -1.909 -0.220 0.000) 1.922 27.439 ( -2.428 -0.429 0.000) 2.465 36.124 ( 0.960 0.525 0.000) 1.094 36.151 ( 1.663 -0.649 0.000) 1.785 36.205 ( -1.366 0.975 0.000) 1.678 36.271 ( -1.321 -2.346 0.000) 2.692 36.422 ( 6.271 1.771 0.000) 6.517 36.457 ( 5.484 -0.186 0.000) 5.487 36.675 ( -0.845 -0.194 0.000) 0.867 36.725 ( -0.661 -3.403 0.000) 3.467 36.949 ( -4.826 8.370 0.000) 9.661 36.959 ( 0.693 0.230 0.000) 0.730 36.971 ( 4.011 -0.203 0.000) 4.016 37.183 ( -2.728 1.562 0.000) 3.144 37.297 ( 1.203 -4.642 0.000) 4.796 37.304 ( -6.269 -10.361 0.000) 12.110 37.541 ( -1.250 6.888 0.000) 7.001 37.593 ( -10.521 6.991 0.000) 12.632 37.758 ( -14.674 -2.003 0.000) 14.810 37.759 ( 5.161 -3.874 0.000) 6.453 37.918 ( -6.192 12.112 0.000) 13.603 38.304 ( -6.357 -5.579 0.000) 8.458 38.733 ( 14.094 1.969 0.000) 14.231 38.826 ( 16.591 -2.086 0.000) 16.721 39.066 ( 2.825 4.801 0.000) 5.571 39.413 ( -4.162 -10.899 0.000) 11.667 ======================= Grid point 10 (8/36) ======================= q-point: ( 0.43 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 15.657 12.687 0.000) 20.152 1.657 ( 7.488 10.276 0.000) 12.715 1.677 ( 21.190 4.628 0.000) 21.690 1.883 ( 2.653 -4.308 0.000) 5.059 1.914 ( 3.524 -0.148 0.000) 3.528 2.038 ( -0.806 -1.607 0.000) 1.798 2.058 ( 0.052 4.811 0.000) 4.811 2.061 ( -3.447 4.312 0.000) 5.520 2.177 ( -1.117 0.355 0.000) 1.172 2.246 ( -7.159 -7.219 0.000) 10.166 2.257 ( -2.537 -4.583 0.000) 5.238 2.304 ( -0.278 -5.409 0.000) 5.416 2.407 ( 8.087 7.436 0.000) 10.986 2.496 ( -3.985 6.987 0.000) 8.043 2.544 ( -1.983 -4.618 0.000) 5.026 2.552 ( -0.788 1.022 0.000) 1.291 2.699 ( 1.431 -3.497 0.000) 3.778 2.705 ( 2.155 -5.004 0.000) 5.448 2.744 ( -1.461 -3.685 0.000) 3.964 2.769 ( 0.939 2.878 0.000) 3.027 2.819 ( 1.504 3.140 0.000) 3.482 2.894 ( -6.881 -10.846 0.000) 12.845 2.967 ( 3.716 -5.830 0.000) 6.913 3.033 ( -1.501 -6.265 0.000) 6.442 3.126 ( 3.969 4.612 0.000) 6.084 3.152 ( 9.205 5.462 0.000) 10.704 3.191 ( -1.392 4.992 0.000) 5.183 3.294 ( -2.379 6.651 0.000) 7.064 3.343 ( 0.838 -1.869 0.000) 2.048 3.345 ( 2.001 -5.371 0.000) 5.731 3.469 ( 3.745 1.371 0.000) 3.988 3.514 ( 2.753 4.025 0.000) 4.876 3.528 ( -4.080 -0.668 0.000) 4.134 3.594 ( -4.623 -0.650 0.000) 4.668 3.600 ( 4.693 7.339 0.000) 8.711 3.655 ( 0.677 2.773 0.000) 2.854 3.696 ( 13.301 2.577 0.000) 13.548 3.783 ( -3.372 2.707 0.000) 4.324 3.822 ( 4.727 -4.533 0.000) 6.550 3.868 ( 7.005 -2.359 0.000) 7.392 3.892 ( -2.491 -0.900 0.000) 2.648 3.965 ( 7.391 -3.189 0.000) 8.050 3.978 ( 2.279 1.778 0.000) 2.891 4.013 ( 3.436 1.020 0.000) 3.584 4.101 ( -11.218 -2.357 0.000) 11.463 4.138 ( 3.528 0.388 0.000) 3.549 4.139 ( -3.255 -1.989 0.000) 3.815 4.212 ( -6.398 -1.946 0.000) 6.688 4.253 ( 11.711 -6.867 0.000) 13.576 4.277 ( 7.088 -2.661 0.000) 7.571 4.453 ( -5.983 2.898 0.000) 6.648 4.472 ( 4.115 2.392 0.000) 4.760 4.503 ( -11.770 -0.207 0.000) 11.772 4.558 ( 7.433 0.307 0.000) 7.439 4.601 ( -11.501 2.490 0.000) 11.767 4.629 ( 6.560 4.739 0.000) 8.093 4.679 ( 6.699 2.548 0.000) 7.167 4.726 ( -3.502 -1.351 0.000) 3.753 4.792 ( -11.352 -2.828 0.000) 11.699 4.821 ( -7.850 4.150 0.000) 8.880 4.850 ( 0.422 -2.567 0.000) 2.602 4.901 ( -4.045 -3.111 0.000) 5.103 4.976 ( 2.125 -8.835 0.000) 9.087 4.986 ( 3.720 -3.112 0.000) 4.850 5.096 ( 0.171 -4.664 0.000) 4.667 5.145 ( 6.672 -4.961 0.000) 8.314 5.163 ( -2.162 2.583 0.000) 3.369 5.291 ( -7.634 -1.798 0.000) 7.843 5.333 ( -0.122 5.729 0.000) 5.731 5.345 ( 1.431 4.057 0.000) 4.302 5.409 ( 1.402 -0.909 0.000) 1.671 5.463 ( 1.554 5.671 0.000) 5.880 5.534 ( -9.006 -1.134 0.000) 9.077 5.538 ( -3.804 2.359 0.000) 4.476 5.662 ( -0.054 -3.935 0.000) 3.936 5.683 ( -1.067 -4.528 0.000) 4.652 5.902 ( 1.115 5.978 0.000) 6.081 5.913 ( 0.263 6.635 0.000) 6.640 5.966 ( -0.121 3.816 0.000) 3.818 5.974 ( -1.309 3.224 0.000) 3.479 6.080 ( 0.126 -2.324 0.000) 2.327 6.083 ( -0.415 -2.645 0.000) 2.678 6.128 ( 2.551 -3.949 0.000) 4.701 6.131 ( 0.385 -3.538 0.000) 3.559 6.208 ( 1.981 1.571 0.000) 2.528 6.259 ( 4.394 1.325 0.000) 4.590 6.260 ( -3.267 2.459 0.000) 4.089 6.276 ( 0.883 2.129 0.000) 2.305 6.328 ( -1.921 0.915 0.000) 2.128 6.409 ( -6.022 -1.889 0.000) 6.311 6.430 ( 3.034 -3.742 0.000) 4.818 6.506 ( -4.591 -2.662 0.000) 5.307 6.549 ( 5.775 1.956 0.000) 6.098 6.651 ( 3.987 -3.104 0.000) 5.053 6.658 ( -4.910 1.796 0.000) 5.228 6.738 ( -4.203 -1.038 0.000) 4.329 6.786 ( 4.163 1.281 0.000) 4.356 6.855 ( -1.805 4.099 0.000) 4.479 6.881 ( 6.477 -2.851 0.000) 7.077 6.986 ( -2.380 -1.392 0.000) 2.757 7.055 ( 0.241 6.171 0.000) 6.176 7.085 ( -3.857 1.075 0.000) 4.004 7.234 ( 3.943 -2.813 0.000) 4.844 7.268 ( -0.762 -3.450 0.000) 3.533 7.280 ( -1.376 1.805 0.000) 2.270 7.305 ( -3.044 2.759 0.000) 4.108 7.358 ( 2.658 -2.553 0.000) 3.686 7.441 ( -4.314 -4.714 0.000) 6.390 7.477 ( 4.997 4.863 0.000) 6.972 7.595 ( -6.128 4.326 0.000) 7.501 7.615 ( 6.852 -0.848 0.000) 6.904 7.728 ( -3.354 -1.038 0.000) 3.511 7.797 ( 2.763 4.225 0.000) 5.048 7.824 ( 2.326 0.045 0.000) 2.327 7.865 ( -0.462 0.416 0.000) 0.622 7.902 ( -3.935 -2.409 0.000) 4.614 7.917 ( -0.375 -2.210 0.000) 2.241 7.952 ( -5.178 0.277 0.000) 5.185 7.955 ( 0.310 -2.027 0.000) 2.051 7.977 ( -2.072 0.897 0.000) 2.258 8.141 ( 2.224 -0.274 0.000) 2.241 8.173 ( 0.589 -0.332 0.000) 0.676 8.177 ( -2.221 0.627 0.000) 2.307 8.239 ( -4.346 -1.751 0.000) 4.686 8.662 ( 6.435 3.658 0.000) 7.402 8.727 ( 1.747 0.278 0.000) 1.769 8.780 ( 3.705 -3.551 0.000) 5.132 8.811 ( 4.165 -3.634 0.000) 5.527 8.933 ( 4.857 0.285 0.000) 4.865 8.945 ( 2.031 0.581 0.000) 2.112 8.981 ( -3.247 5.673 0.000) 6.537 9.086 ( -7.501 -0.434 0.000) 7.514 9.304 ( 5.203 3.398 0.000) 6.214 9.374 ( -1.333 1.478 0.000) 1.990 9.494 ( 3.453 -5.063 0.000) 6.128 9.523 ( -0.221 -4.874 0.000) 4.879 9.709 ( 3.224 1.954 0.000) 3.770 9.720 ( 1.898 0.332 0.000) 1.927 9.746 ( 4.646 -0.393 0.000) 4.663 9.762 ( -1.974 -0.765 0.000) 2.117 9.849 ( -0.870 3.207 0.000) 3.323 9.901 ( -0.913 3.089 0.000) 3.221 9.944 ( -3.315 -1.517 0.000) 3.646 10.042 ( -12.371 -3.217 0.000) 12.782 16.703 ( 0.276 0.926 0.000) 0.966 16.711 ( -0.537 0.761 0.000) 0.931 16.766 ( -0.033 -1.726 0.000) 1.727 16.768 ( -0.295 -2.155 0.000) 2.176 16.881 ( 4.137 -0.320 0.000) 4.149 16.900 ( 2.680 -1.489 0.000) 3.066 16.951 ( -2.406 -0.017 0.000) 2.406 16.959 ( -3.500 -0.233 0.000) 3.507 17.004 ( 1.360 2.931 0.000) 3.231 17.033 ( -1.977 2.100 0.000) 2.884 17.078 ( 3.005 0.584 0.000) 3.061 17.116 ( -0.911 -1.228 0.000) 1.529 17.139 ( 2.697 -1.620 0.000) 3.146 17.167 ( 3.270 -0.923 0.000) 3.398 17.184 ( -1.457 -0.253 0.000) 1.479 17.224 ( -1.965 -1.032 0.000) 2.220 17.232 ( 1.534 1.695 0.000) 2.286 17.245 ( 0.984 1.182 0.000) 1.538 17.269 ( -2.693 0.562 0.000) 2.751 17.273 ( -1.330 -0.489 0.000) 1.417 17.427 ( 2.170 1.019 0.000) 2.397 17.468 ( 1.769 -0.797 0.000) 1.940 17.472 ( -2.289 0.945 0.000) 2.477 17.518 ( -2.653 -1.024 0.000) 2.843 21.654 ( 0.297 1.779 0.000) 1.803 21.657 ( -0.024 2.025 0.000) 2.026 21.765 ( 1.611 -3.801 0.000) 4.128 21.794 ( -1.203 -5.263 0.000) 5.399 21.956 ( 1.725 3.023 0.000) 3.481 21.999 ( -2.702 4.043 0.000) 4.863 22.034 ( 2.461 -1.119 0.000) 2.704 22.087 ( -2.824 -1.125 0.000) 3.040 22.231 ( 0.808 0.952 0.000) 1.249 22.242 ( -0.319 0.579 0.000) 0.661 22.258 ( 0.437 -0.197 0.000) 0.479 22.262 ( 0.022 -0.304 0.000) 0.305 26.954 ( 0.505 0.024 0.000) 0.505 26.954 ( 0.467 0.064 0.000) 0.471 26.959 ( 0.559 -0.304 0.000) 0.637 26.961 ( 0.441 -0.287 0.000) 0.526 26.994 ( -0.305 0.360 0.000) 0.472 26.996 ( -0.517 0.237 0.000) 0.569 27.001 ( -0.472 0.007 0.000) 0.472 27.002 ( -0.501 0.012 0.000) 0.501 27.375 ( 0.538 0.072 0.000) 0.542 27.381 ( 0.393 -0.198 0.000) 0.441 27.396 ( -1.517 -0.109 0.000) 1.520 27.400 ( -1.476 -0.234 0.000) 1.495 36.147 ( 1.318 0.763 0.000) 1.523 36.175 ( -1.519 0.966 0.000) 1.800 36.190 ( 2.162 -1.144 0.000) 2.446 36.234 ( -2.186 -1.727 0.000) 2.785 36.561 ( 6.497 0.866 0.000) 6.554 36.576 ( 6.271 0.136 0.000) 6.273 36.649 ( -2.362 0.286 0.000) 2.379 36.684 ( -3.991 -1.461 0.000) 4.250 36.899 ( 0.482 5.703 0.000) 5.723 36.947 ( -2.742 2.411 0.000) 3.651 37.082 ( 5.241 -3.672 0.000) 6.400 37.175 ( 5.137 2.000 0.000) 5.513 37.176 ( -5.804 -7.966 0.000) 9.857 37.283 ( 2.654 -4.367 0.000) 5.110 37.365 ( -11.714 2.604 0.000) 12.000 37.461 ( -13.724 -2.061 0.000) 13.878 37.645 ( 7.897 8.854 0.000) 11.864 37.794 ( -6.781 10.765 0.000) 12.722 37.933 ( 10.703 -5.025 0.000) 11.824 38.142 ( -9.789 -5.721 0.000) 11.338 38.965 ( 8.926 2.944 0.000) 9.399 39.077 ( -2.307 3.920 0.000) 4.549 39.109 ( 11.837 -3.359 0.000) 12.304 39.297 ( -7.427 -5.713 0.000) 9.370 ======================= Grid point 14 (9/36) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 0.000 -21.478 0.000) 21.478 0.846 ( 0.000 21.478 0.000) 21.478 0.948 ( 0.000 -24.095 0.000) 24.095 0.948 ( 0.000 24.095 0.000) 24.095 1.561 ( 0.000 -16.544 0.000) 16.544 1.561 ( 0.000 16.544 0.000) 16.544 1.961 ( 0.000 -21.313 0.000) 21.313 1.961 ( 0.000 21.313 0.000) 21.313 2.026 ( 0.000 -18.407 0.000) 18.407 2.026 ( 0.000 18.407 0.000) 18.407 2.210 ( 0.000 -7.450 0.000) 7.450 2.210 ( 0.000 7.450 0.000) 7.450 2.338 ( 0.000 -4.624 0.000) 4.624 2.338 ( 0.000 4.624 0.000) 4.624 2.576 ( 0.000 -1.297 0.000) 1.297 2.576 ( 0.000 1.297 0.000) 1.297 2.701 ( 0.000 -2.918 0.000) 2.918 2.701 ( 0.000 2.918 0.000) 2.918 2.705 ( 0.000 -8.877 0.000) 8.877 2.705 ( 0.000 8.877 0.000) 8.877 2.748 ( 0.000 -1.262 0.000) 1.262 2.748 ( 0.000 1.262 0.000) 1.262 2.980 ( 0.000 -4.366 0.000) 4.366 2.980 ( 0.000 4.366 0.000) 4.366 3.092 ( 0.000 -6.838 0.000) 6.838 3.092 ( 0.000 6.838 0.000) 6.838 3.206 ( 0.000 -0.605 0.000) 0.605 3.206 ( 0.000 0.605 0.000) 0.605 3.257 ( 0.000 -1.576 0.000) 1.576 3.257 ( 0.000 1.576 0.000) 1.576 3.285 ( 0.000 -0.920 0.000) 0.920 3.285 ( 0.000 0.920 0.000) 0.920 3.294 ( 0.000 -7.532 0.000) 7.532 3.294 ( 0.000 7.532 0.000) 7.532 3.586 ( 0.000 -4.628 0.000) 4.628 3.586 ( 0.000 4.628 0.000) 4.628 3.710 ( 0.000 -6.825 0.000) 6.825 3.710 ( 0.000 6.825 0.000) 6.825 3.769 ( 0.000 -2.872 0.000) 2.872 3.769 ( 0.000 2.872 0.000) 2.872 3.789 ( 0.000 -4.036 0.000) 4.036 3.789 ( 0.000 4.036 0.000) 4.036 3.972 ( 0.000 -5.189 0.000) 5.189 3.972 ( 0.000 5.189 0.000) 5.189 4.055 ( 0.000 -9.108 0.000) 9.108 4.055 ( 0.000 9.108 0.000) 9.108 4.119 ( 0.000 -7.685 0.000) 7.685 4.119 ( 0.000 7.685 0.000) 7.685 4.179 ( 0.000 -0.154 0.000) 0.154 4.179 ( 0.000 0.154 0.000) 0.154 4.468 ( 0.000 -8.345 0.000) 8.345 4.468 ( 0.000 8.345 0.000) 8.345 4.544 ( 0.000 -6.382 0.000) 6.382 4.544 ( 0.000 6.382 0.000) 6.382 4.668 ( 0.000 -0.894 0.000) 0.894 4.668 ( 0.000 0.894 0.000) 0.894 4.835 ( 0.000 -4.090 0.000) 4.090 4.835 ( 0.000 4.090 0.000) 4.090 4.896 ( 0.000 -13.339 0.000) 13.339 4.896 ( 0.000 13.339 0.000) 13.339 4.937 ( 0.000 -3.855 0.000) 3.855 4.937 ( 0.000 3.855 0.000) 3.855 5.175 ( 0.000 -4.074 0.000) 4.074 5.175 ( 0.000 4.074 0.000) 4.074 5.219 ( 0.000 -0.212 0.000) 0.212 5.219 ( 0.000 0.212 0.000) 0.212 5.238 ( 0.000 -2.025 0.000) 2.025 5.238 ( 0.000 2.025 0.000) 2.025 5.517 ( 0.000 -1.423 0.000) 1.423 5.517 ( 0.000 1.423 0.000) 1.423 5.533 ( 0.000 -7.621 0.000) 7.621 5.533 ( 0.000 7.621 0.000) 7.621 5.644 ( 0.000 -4.173 0.000) 4.173 5.644 ( 0.000 4.173 0.000) 4.173 5.728 ( 0.000 -2.875 0.000) 2.875 5.728 ( 0.000 2.875 0.000) 2.875 5.967 ( 0.000 -3.495 0.000) 3.495 5.967 ( 0.000 3.495 0.000) 3.495 6.058 ( 0.000 -4.189 0.000) 4.189 6.058 ( 0.000 4.189 0.000) 4.189 6.077 ( 0.000 -0.563 0.000) 0.563 6.077 ( 0.000 0.563 0.000) 0.563 6.135 ( 0.000 -0.317 0.000) 0.317 6.135 ( 0.000 0.317 0.000) 0.317 6.177 ( 0.000 -2.039 0.000) 2.039 6.177 ( 0.000 2.039 0.000) 2.039 6.330 ( 0.000 -3.671 0.000) 3.671 6.330 ( 0.000 3.671 0.000) 3.671 6.345 ( 0.000 -8.798 0.000) 8.798 6.345 ( 0.000 8.798 0.000) 8.798 6.581 ( 0.000 -5.798 0.000) 5.798 6.581 ( 0.000 5.798 0.000) 5.798 6.610 ( 0.000 -1.269 0.000) 1.269 6.610 ( 0.000 1.269 0.000) 1.269 6.671 ( 0.000 -2.742 0.000) 2.742 6.671 ( 0.000 2.742 0.000) 2.742 6.814 ( 0.000 -6.976 0.000) 6.976 6.814 ( 0.000 6.976 0.000) 6.976 6.972 ( 0.000 -1.743 0.000) 1.743 6.972 ( 0.000 1.743 0.000) 1.743 7.174 ( 0.000 -2.697 0.000) 2.697 7.174 ( 0.000 2.697 0.000) 2.697 7.228 ( 0.000 -6.778 0.000) 6.778 7.228 ( 0.000 6.778 0.000) 6.778 7.391 ( 0.000 -0.967 0.000) 0.967 7.391 ( 0.000 0.967 0.000) 0.967 7.462 ( 0.000 -3.558 0.000) 3.558 7.462 ( 0.000 3.558 0.000) 3.558 7.505 ( 0.000 -5.074 0.000) 5.074 7.505 ( 0.000 5.074 0.000) 5.074 7.712 ( 0.000 -4.091 0.000) 4.091 7.712 ( 0.000 4.091 0.000) 4.091 7.876 ( 0.000 -2.163 0.000) 2.163 7.876 ( 0.000 2.163 0.000) 2.163 7.935 ( 0.000 -1.826 0.000) 1.826 7.935 ( 0.000 1.826 0.000) 1.826 7.986 ( 0.000 -4.328 0.000) 4.328 7.986 ( 0.000 4.328 0.000) 4.328 8.069 ( 0.000 -9.481 0.000) 9.481 8.069 ( 0.000 9.481 0.000) 9.481 8.253 ( 0.000 -3.015 0.000) 3.015 8.253 ( 0.000 3.015 0.000) 3.015 8.408 ( 0.000 -0.523 0.000) 0.523 8.408 ( 0.000 0.523 0.000) 0.523 8.477 ( 0.000 -2.262 0.000) 2.262 8.477 ( 0.000 2.262 0.000) 2.262 8.566 ( 0.000 -3.086 0.000) 3.086 8.566 ( 0.000 3.086 0.000) 3.086 8.599 ( 0.000 -2.338 0.000) 2.338 8.599 ( 0.000 2.338 0.000) 2.338 8.900 ( 0.000 -7.675 0.000) 7.675 8.900 ( 0.000 7.675 0.000) 7.675 9.201 ( 0.000 -5.223 0.000) 5.223 9.201 ( 0.000 5.223 0.000) 5.223 9.413 ( 0.000 -8.181 0.000) 8.181 9.413 ( 0.000 8.181 0.000) 8.181 9.696 ( 0.000 -6.446 0.000) 6.446 9.696 ( 0.000 6.446 0.000) 6.446 9.737 ( 0.000 -0.388 0.000) 0.388 9.737 ( 0.000 0.388 0.000) 0.388 10.096 ( 0.000 -0.524 0.000) 0.524 10.096 ( 0.000 0.524 0.000) 0.524 10.224 ( 0.000 -4.325 0.000) 4.325 10.224 ( 0.000 4.325 0.000) 4.325 16.715 ( 0.000 -0.140 0.000) 0.140 16.715 ( 0.000 0.140 0.000) 0.140 16.741 ( 0.000 -3.015 0.000) 3.015 16.741 ( 0.000 3.015 0.000) 3.015 16.791 ( 0.000 -1.878 0.000) 1.878 16.791 ( 0.000 1.878 0.000) 1.878 16.894 ( 0.000 -0.863 0.000) 0.863 16.894 ( 0.000 0.863 0.000) 0.863 17.036 ( 0.000 -1.412 0.000) 1.412 17.036 ( 0.000 1.412 0.000) 1.412 17.050 ( 0.000 -2.401 0.000) 2.401 17.050 ( 0.000 2.401 0.000) 2.401 17.132 ( 0.000 -0.771 0.000) 0.771 17.132 ( 0.000 0.771 0.000) 0.771 17.208 ( 0.000 -2.659 0.000) 2.659 17.208 ( 0.000 2.659 0.000) 2.659 17.242 ( 0.000 -2.482 0.000) 2.482 17.242 ( 0.000 2.482 0.000) 2.482 17.360 ( 0.000 -1.651 0.000) 1.651 17.360 ( 0.000 1.651 0.000) 1.651 17.448 ( 0.000 -2.338 0.000) 2.338 17.448 ( 0.000 2.338 0.000) 2.338 17.529 ( 0.000 -3.226 0.000) 3.226 17.529 ( 0.000 3.226 0.000) 3.226 21.665 ( 0.000 -2.087 0.000) 2.087 21.665 ( 0.000 2.087 0.000) 2.087 21.688 ( 0.000 -2.215 0.000) 2.215 21.688 ( 0.000 2.215 0.000) 2.215 21.933 ( 0.000 -1.205 0.000) 1.205 21.933 ( 0.000 1.205 0.000) 1.205 22.170 ( 0.000 -0.456 0.000) 0.456 22.170 ( 0.000 0.456 0.000) 0.456 22.247 ( 0.000 -0.275 0.000) 0.275 22.247 ( 0.000 0.275 0.000) 0.275 22.300 ( 0.000 -3.994 0.000) 3.994 22.300 ( 0.000 3.994 0.000) 3.994 26.922 ( 0.000 -0.053 0.000) 0.053 26.922 ( 0.000 0.053 0.000) 0.053 26.928 ( 0.000 -0.357 0.000) 0.357 26.928 ( 0.000 0.357 0.000) 0.357 27.016 ( 0.000 -0.050 0.000) 0.050 27.016 ( 0.000 0.050 0.000) 0.050 27.029 ( 0.000 -0.096 0.000) 0.096 27.029 ( 0.000 0.096 0.000) 0.096 27.396 ( 0.000 -0.093 0.000) 0.093 27.396 ( 0.000 0.093 0.000) 0.093 27.501 ( 0.000 -0.755 0.000) 0.755 27.501 ( 0.000 0.755 0.000) 0.755 36.111 ( 0.000 -0.389 0.000) 0.389 36.111 ( 0.000 0.389 0.000) 0.389 36.238 ( 0.000 -0.515 0.000) 0.515 36.238 ( 0.000 0.515 0.000) 0.515 36.347 ( 0.000 -0.363 0.000) 0.363 36.347 ( 0.000 0.363 0.000) 0.363 36.702 ( 0.000 -0.063 0.000) 0.063 36.702 ( 0.000 0.063 0.000) 0.063 37.035 ( 0.000 -0.773 0.000) 0.773 37.035 ( 0.000 0.773 0.000) 0.773 37.043 ( 0.000 -0.683 0.000) 0.683 37.043 ( 0.000 0.683 0.000) 0.683 37.266 ( 0.000 -11.110 0.000) 11.110 37.266 ( 0.000 11.110 0.000) 11.110 37.963 ( 0.000 -0.712 0.000) 0.712 37.963 ( 0.000 0.712 0.000) 0.712 38.049 ( 0.000 -1.322 0.000) 1.322 38.049 ( 0.000 1.322 0.000) 1.322 38.187 ( 0.000 -0.431 0.000) 0.431 38.187 ( 0.000 0.431 0.000) 0.431 38.283 ( 0.000 -9.191 0.000) 9.191 38.283 ( 0.000 9.191 0.000) 9.191 39.086 ( 0.000 -2.698 0.000) 2.698 39.086 ( 0.000 2.698 0.000) 2.698 ======================= Grid point 16 (10/36) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 13.583 -17.406 0.000) 22.078 0.987 ( 13.583 17.406 0.000) 22.078 1.155 ( 16.028 -19.492 0.000) 25.235 1.155 ( 16.028 19.492 0.000) 25.235 1.682 ( 11.251 -10.167 0.000) 15.164 1.682 ( 11.251 10.167 0.000) 15.164 1.982 ( 2.203 -20.001 0.000) 20.122 1.982 ( 2.203 20.001 0.000) 20.122 2.120 ( 8.453 -17.407 0.000) 19.351 2.120 ( 8.453 17.407 0.000) 19.351 2.271 ( 3.823 -6.322 0.000) 7.389 2.271 ( 3.823 6.322 0.000) 7.389 2.399 ( 6.281 -3.668 0.000) 7.273 2.399 ( 6.281 3.668 0.000) 7.273 2.580 ( -3.008 -4.335 0.000) 5.277 2.580 ( -3.008 4.335 0.000) 5.277 2.635 ( 0.340 -9.823 0.000) 9.829 2.635 ( 0.340 9.823 0.000) 9.829 2.672 ( -1.910 -1.085 0.000) 2.197 2.672 ( -1.910 1.085 0.000) 2.197 2.775 ( 1.652 -7.104 0.000) 7.294 2.775 ( 1.652 7.104 0.000) 7.294 3.039 ( 4.184 -5.542 0.000) 6.944 3.039 ( 4.184 5.542 0.000) 6.944 3.067 ( -3.221 -3.639 0.000) 4.860 3.067 ( -3.221 3.639 0.000) 4.860 3.178 ( -2.853 -8.802 0.000) 9.252 3.178 ( -2.853 8.802 0.000) 9.252 3.239 ( 1.137 -1.744 0.000) 2.081 3.239 ( 1.137 1.744 0.000) 2.081 3.299 ( 4.311 -1.732 0.000) 4.646 3.299 ( 4.311 1.732 0.000) 4.646 3.394 ( 4.168 -6.135 0.000) 7.417 3.394 ( 4.168 6.135 0.000) 7.417 3.615 ( 1.586 -3.730 0.000) 4.053 3.615 ( 1.586 3.730 0.000) 4.053 3.719 ( 0.578 -5.916 0.000) 5.944 3.719 ( 0.578 5.916 0.000) 5.944 3.759 ( -1.016 -3.727 0.000) 3.864 3.759 ( -1.016 3.727 0.000) 3.864 3.841 ( 5.803 -5.480 0.000) 7.982 3.841 ( 5.803 5.480 0.000) 7.982 3.941 ( -2.072 -3.122 0.000) 3.747 3.941 ( -2.072 3.122 0.000) 3.747 4.027 ( -0.922 -2.074 0.000) 2.270 4.027 ( -0.922 2.074 0.000) 2.270 4.168 ( 3.868 -7.790 0.000) 8.698 4.168 ( 3.868 7.790 0.000) 8.698 4.239 ( 3.946 -1.958 0.000) 4.406 4.239 ( 3.946 1.958 0.000) 4.406 4.355 ( -5.786 -2.001 0.000) 6.123 4.355 ( -5.786 2.001 0.000) 6.123 4.605 ( 2.655 -0.373 0.000) 2.681 4.605 ( 2.655 0.373 0.000) 2.681 4.672 ( -0.620 -2.953 0.000) 3.017 4.672 ( -0.620 2.953 0.000) 3.017 4.794 ( -3.561 -5.897 0.000) 6.889 4.794 ( -3.561 5.897 0.000) 6.889 4.926 ( 0.543 -7.435 0.000) 7.455 4.926 ( 0.543 7.435 0.000) 7.455 4.938 ( 0.178 -4.382 0.000) 4.385 4.938 ( 0.178 4.382 0.000) 4.385 5.122 ( -6.532 -4.242 0.000) 7.789 5.122 ( -6.532 4.242 0.000) 7.789 5.163 ( 0.895 -2.493 0.000) 2.649 5.163 ( 0.895 2.493 0.000) 2.649 5.201 ( -5.339 -3.191 0.000) 6.220 5.201 ( -5.339 3.191 0.000) 6.220 5.497 ( -2.100 -1.111 0.000) 2.376 5.497 ( -2.100 1.111 0.000) 2.376 5.558 ( 1.600 -7.606 0.000) 7.772 5.558 ( 1.600 7.606 0.000) 7.772 5.662 ( 0.790 -5.133 0.000) 5.194 5.662 ( 0.790 5.133 0.000) 5.194 5.694 ( -3.407 -2.287 0.000) 4.104 5.694 ( -3.407 2.287 0.000) 4.104 5.964 ( -0.767 -2.455 0.000) 2.571 5.964 ( -0.767 2.455 0.000) 2.571 5.988 ( -3.069 -3.450 0.000) 4.617 5.988 ( -3.069 3.450 0.000) 4.617 6.047 ( -1.511 -1.662 0.000) 2.246 6.047 ( -1.511 1.662 0.000) 2.246 6.159 ( -1.182 -1.678 0.000) 2.053 6.159 ( -1.182 1.678 0.000) 2.053 6.163 ( -0.609 -2.333 0.000) 2.411 6.163 ( -0.609 2.333 0.000) 2.411 6.332 ( 0.695 -2.705 0.000) 2.793 6.332 ( 0.695 2.705 0.000) 2.793 6.406 ( 4.401 -7.102 0.000) 8.355 6.406 ( 4.401 7.102 0.000) 8.355 6.519 ( -4.707 -5.234 0.000) 7.039 6.519 ( -4.707 5.234 0.000) 7.039 6.580 ( -2.813 -1.031 0.000) 2.996 6.580 ( -2.813 1.031 0.000) 2.996 6.682 ( 0.957 -3.852 0.000) 3.969 6.682 ( 0.957 3.852 0.000) 3.969 6.813 ( -0.222 -5.315 0.000) 5.320 6.813 ( -0.222 5.315 0.000) 5.320 6.939 ( -1.423 -1.487 0.000) 2.059 6.939 ( -1.423 1.487 0.000) 2.059 7.185 ( -0.649 -1.787 0.000) 1.901 7.185 ( -0.649 1.787 0.000) 1.901 7.213 ( -1.198 -6.776 0.000) 6.881 7.213 ( -1.198 6.776 0.000) 6.881 7.323 ( -2.342 -5.008 0.000) 5.529 7.323 ( -2.342 5.008 0.000) 5.529 7.462 ( -0.312 -3.077 0.000) 3.092 7.462 ( -0.312 3.077 0.000) 3.092 7.480 ( -2.113 -3.831 0.000) 4.375 7.480 ( -2.113 3.831 0.000) 4.375 7.731 ( 1.573 -3.508 0.000) 3.845 7.731 ( 1.573 3.508 0.000) 3.845 7.859 ( -1.829 -1.859 0.000) 2.608 7.859 ( -1.829 1.859 0.000) 2.608 7.915 ( -2.100 -2.527 0.000) 3.286 7.915 ( -2.100 2.527 0.000) 3.286 7.979 ( -0.775 -2.926 0.000) 3.027 7.979 ( -0.775 2.926 0.000) 3.027 8.050 ( -1.404 -7.283 0.000) 7.417 8.050 ( -1.404 7.283 0.000) 7.417 8.318 ( 2.261 -4.589 0.000) 5.116 8.318 ( 2.261 4.589 0.000) 5.116 8.372 ( -8.440 -3.347 0.000) 9.079 8.372 ( -8.440 3.347 0.000) 9.079 8.420 ( 1.059 -2.513 0.000) 2.727 8.420 ( 1.059 2.513 0.000) 2.727 8.518 ( 4.346 -4.850 0.000) 6.512 8.518 ( 4.346 4.850 0.000) 6.512 8.716 ( 7.980 -1.573 0.000) 8.134 8.716 ( 7.980 1.573 0.000) 8.134 9.071 ( 9.279 -4.717 0.000) 10.409 9.071 ( 9.279 4.717 0.000) 10.409 9.217 ( 1.828 -5.338 0.000) 5.642 9.217 ( 1.828 5.338 0.000) 5.642 9.408 ( -0.318 -8.395 0.000) 8.401 9.408 ( -0.318 8.395 0.000) 8.401 9.692 ( -0.330 -5.768 0.000) 5.777 9.692 ( -0.330 5.768 0.000) 5.777 9.734 ( -0.434 -0.356 0.000) 0.562 9.734 ( -0.434 0.356 0.000) 0.562 10.067 ( -2.884 -1.167 0.000) 3.111 10.067 ( -2.884 1.167 0.000) 3.111 10.199 ( -2.611 -7.185 0.000) 7.644 10.199 ( -2.611 7.185 0.000) 7.644 16.734 ( 1.512 -0.410 0.000) 1.567 16.734 ( 1.512 0.410 0.000) 1.567 16.738 ( -0.308 -2.804 0.000) 2.821 16.738 ( -0.308 2.804 0.000) 2.821 16.776 ( -0.414 -2.296 0.000) 2.333 16.776 ( -0.414 2.296 0.000) 2.333 16.932 ( 3.163 -1.086 0.000) 3.344 16.932 ( 3.163 1.086 0.000) 3.344 17.033 ( -0.448 -1.331 0.000) 1.405 17.033 ( -0.448 1.331 0.000) 1.405 17.063 ( 1.097 -2.132 0.000) 2.397 17.063 ( 1.097 2.132 0.000) 2.397 17.128 ( -0.652 -1.511 0.000) 1.645 17.128 ( -0.652 1.511 0.000) 1.645 17.215 ( -1.780 -1.755 0.000) 2.500 17.215 ( -1.780 1.755 0.000) 2.500 17.217 ( 0.879 -2.654 0.000) 2.796 17.217 ( 0.879 2.654 0.000) 2.796 17.351 ( -1.145 -2.196 0.000) 2.476 17.351 ( -1.145 2.196 0.000) 2.476 17.443 ( -0.490 -2.188 0.000) 2.242 17.443 ( -0.490 2.188 0.000) 2.242 17.535 ( 0.325 -2.565 0.000) 2.586 17.535 ( 0.325 2.565 0.000) 2.586 21.670 ( 0.514 -2.225 0.000) 2.284 21.670 ( 0.514 2.225 0.000) 2.284 21.698 ( 0.810 -3.343 0.000) 3.440 21.698 ( 0.810 3.343 0.000) 3.440 21.941 ( 0.842 -1.403 0.000) 1.636 21.941 ( 0.842 1.403 0.000) 1.636 22.165 ( -0.908 -0.700 0.000) 1.147 22.165 ( -0.908 0.700 0.000) 1.147 22.249 ( 0.167 -0.319 0.000) 0.360 22.249 ( 0.167 0.319 0.000) 0.360 22.263 ( -2.489 -1.845 0.000) 3.098 22.263 ( -2.489 1.845 0.000) 3.098 26.928 ( 0.520 -0.095 0.000) 0.528 26.928 ( 0.520 0.095 0.000) 0.528 26.933 ( 0.426 -0.313 0.000) 0.528 26.933 ( 0.426 0.313 0.000) 0.528 27.016 ( -0.080 -0.104 0.000) 0.131 27.016 ( -0.080 0.104 0.000) 0.131 27.025 ( -0.469 -0.104 0.000) 0.480 27.025 ( -0.469 0.104 0.000) 0.480 27.390 ( -0.579 -0.171 0.000) 0.604 27.390 ( -0.579 0.171 0.000) 0.604 27.476 ( -2.124 -0.716 0.000) 2.241 27.476 ( -2.124 0.716 0.000) 2.241 36.118 ( 0.672 -0.516 0.000) 0.847 36.118 ( 0.672 0.516 0.000) 0.847 36.242 ( 0.110 -1.261 0.000) 1.266 36.242 ( 0.110 1.261 0.000) 1.266 36.366 ( 2.292 -0.563 0.000) 2.360 36.366 ( 2.292 0.563 0.000) 2.360 36.695 ( -0.559 -1.000 0.000) 1.145 36.695 ( -0.559 1.000 0.000) 1.145 36.958 ( -1.922 -0.874 0.000) 2.111 36.958 ( -1.922 0.874 0.000) 2.111 37.172 ( 6.394 -0.197 0.000) 6.397 37.172 ( 6.394 0.197 0.000) 6.397 37.218 ( -4.302 -10.529 0.000) 11.374 37.218 ( -4.302 10.529 0.000) 11.374 37.757 ( -11.045 -2.310 0.000) 11.284 37.757 ( -11.045 2.310 0.000) 11.284 37.943 ( -9.625 -4.235 0.000) 10.515 37.943 ( -9.625 4.235 0.000) 10.515 38.246 ( -3.673 -10.987 0.000) 11.585 38.246 ( -3.673 10.987 0.000) 11.585 38.449 ( 17.247 -1.360 0.000) 17.301 38.449 ( 17.247 1.360 0.000) 17.301 39.148 ( 4.388 -11.626 0.000) 12.426 39.148 ( 4.388 11.626 0.000) 12.426 ======================= Grid point 18 (11/36) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 20.451 -10.004 0.000) 22.767 1.338 ( 20.451 10.004 0.000) 22.767 1.468 ( 15.242 -15.990 0.000) 22.091 1.468 ( 15.242 15.990 0.000) 22.091 1.932 ( 12.364 -4.045 0.000) 13.009 1.932 ( 12.364 4.045 0.000) 13.009 2.045 ( 3.645 -16.788 0.000) 17.179 2.045 ( 3.645 16.788 0.000) 17.179 2.234 ( 0.340 -8.163 0.000) 8.170 2.234 ( 0.340 8.163 0.000) 8.170 2.271 ( -4.526 -5.039 0.000) 6.774 2.271 ( -4.526 5.039 0.000) 6.774 2.528 ( 4.665 -0.222 0.000) 4.670 2.528 ( 4.665 0.222 0.000) 4.670 2.532 ( -2.908 -3.870 0.000) 4.841 2.532 ( -2.908 3.870 0.000) 4.841 2.665 ( 2.429 -3.546 0.000) 4.298 2.665 ( 2.429 3.546 0.000) 4.298 2.704 ( 5.966 -5.303 0.000) 7.983 2.704 ( 5.966 5.303 0.000) 7.983 2.855 ( 5.079 -7.690 0.000) 9.216 2.855 ( 5.079 7.690 0.000) 9.216 2.939 ( -9.387 -7.329 0.000) 11.909 2.939 ( -9.387 7.329 0.000) 11.909 3.114 ( 4.399 -6.623 0.000) 7.951 3.114 ( 4.399 6.623 0.000) 7.951 3.169 ( 1.756 -8.304 0.000) 8.488 3.169 ( 1.756 8.304 0.000) 8.488 3.289 ( 4.713 -4.722 0.000) 6.672 3.289 ( 4.713 4.722 0.000) 6.672 3.443 ( 1.886 -7.421 0.000) 7.657 3.443 ( 1.886 7.421 0.000) 7.657 3.464 ( 11.754 -3.073 0.000) 12.149 3.464 ( 11.754 3.073 0.000) 12.149 3.654 ( 3.099 -5.454 0.000) 6.273 3.654 ( 3.099 5.454 0.000) 6.273 3.694 ( -5.107 -2.830 0.000) 5.839 3.694 ( -5.107 2.830 0.000) 5.839 3.732 ( 1.312 -7.173 0.000) 7.292 3.732 ( 1.312 7.173 0.000) 7.292 3.926 ( -1.049 -1.466 0.000) 1.802 3.926 ( -1.049 1.466 0.000) 1.802 3.979 ( 6.536 -6.547 0.000) 9.251 3.979 ( 6.536 6.547 0.000) 9.251 4.032 ( 0.962 -7.939 0.000) 7.998 4.032 ( 0.962 7.939 0.000) 7.998 4.182 ( -0.937 -6.764 0.000) 6.828 4.182 ( -0.937 6.764 0.000) 6.828 4.278 ( -1.763 -4.513 0.000) 4.845 4.278 ( -1.763 4.513 0.000) 4.845 4.381 ( 6.952 -1.931 0.000) 7.215 4.381 ( 6.952 1.931 0.000) 7.215 4.629 ( -3.793 -1.558 0.000) 4.100 4.629 ( -3.793 1.558 0.000) 4.100 4.640 ( 1.370 -1.390 0.000) 1.952 4.640 ( 1.370 1.390 0.000) 1.952 4.729 ( -1.400 -7.689 0.000) 7.816 4.729 ( -1.400 7.689 0.000) 7.816 4.878 ( -3.304 -1.621 0.000) 3.680 4.878 ( -3.304 1.621 0.000) 3.680 4.925 ( -2.207 -1.934 0.000) 2.934 4.925 ( -2.207 1.934 0.000) 2.934 4.986 ( -7.835 -2.640 0.000) 8.267 4.986 ( -7.835 2.640 0.000) 8.267 5.087 ( -4.166 -3.571 0.000) 5.487 5.087 ( -4.166 3.571 0.000) 5.487 5.224 ( 2.686 -2.743 0.000) 3.839 5.224 ( 2.686 2.743 0.000) 3.839 5.453 ( -1.933 -3.994 0.000) 4.437 5.453 ( -1.933 3.994 0.000) 4.437 5.539 ( -4.454 -5.112 0.000) 6.780 5.539 ( -4.454 5.112 0.000) 6.780 5.614 ( -3.406 -4.168 0.000) 5.383 5.614 ( -3.406 4.168 0.000) 5.383 5.637 ( -2.580 -2.683 0.000) 3.723 5.637 ( -2.580 2.683 0.000) 3.723 5.975 ( 1.003 -4.468 0.000) 4.579 5.975 ( 1.003 4.468 0.000) 4.579 5.991 ( 3.825 -1.269 0.000) 4.030 5.991 ( 3.825 1.269 0.000) 4.030 6.019 ( -0.787 -3.708 0.000) 3.790 6.019 ( -0.787 3.708 0.000) 3.790 6.108 ( -2.930 -1.698 0.000) 3.386 6.108 ( -2.930 1.698 0.000) 3.386 6.181 ( 2.205 -1.669 0.000) 2.766 6.181 ( 2.205 1.669 0.000) 2.766 6.320 ( -1.890 -1.785 0.000) 2.600 6.320 ( -1.890 1.785 0.000) 2.600 6.408 ( -3.795 -0.997 0.000) 3.924 6.408 ( -3.795 0.997 0.000) 3.924 6.507 ( 3.606 -5.454 0.000) 6.538 6.507 ( 3.606 5.454 0.000) 6.538 6.517 ( -3.497 -3.274 0.000) 4.791 6.517 ( -3.497 3.274 0.000) 4.791 6.727 ( 3.888 -2.311 0.000) 4.523 6.727 ( 3.888 2.311 0.000) 4.523 6.793 ( -2.468 -1.561 0.000) 2.921 6.793 ( -2.468 1.561 0.000) 2.921 6.948 ( 1.325 -3.123 0.000) 3.392 6.948 ( 1.325 3.123 0.000) 3.392 7.139 ( -1.557 -2.622 0.000) 3.049 7.139 ( -1.557 2.622 0.000) 3.049 7.189 ( -1.058 -6.976 0.000) 7.056 7.189 ( -1.058 6.976 0.000) 7.056 7.326 ( -0.149 -2.553 0.000) 2.558 7.326 ( -0.149 2.553 0.000) 2.558 7.430 ( -2.962 -3.579 0.000) 4.645 7.430 ( -2.962 3.579 0.000) 4.645 7.478 ( 3.023 -1.175 0.000) 3.243 7.478 ( 3.023 1.175 0.000) 3.243 7.757 ( -0.491 -3.057 0.000) 3.096 7.757 ( -0.491 3.057 0.000) 3.096 7.815 ( -0.853 -2.719 0.000) 2.849 7.815 ( -0.853 2.719 0.000) 2.849 7.858 ( -2.745 -5.075 0.000) 5.770 7.858 ( -2.745 5.075 0.000) 5.770 7.951 ( -2.032 -1.164 0.000) 2.342 7.951 ( -2.032 1.164 0.000) 2.342 8.036 ( -0.527 -3.885 0.000) 3.921 8.036 ( -0.527 3.885 0.000) 3.921 8.205 ( -6.782 -1.458 0.000) 6.937 8.205 ( -6.782 1.458 0.000) 6.937 8.269 ( -3.648 -3.073 0.000) 4.770 8.269 ( -3.648 3.073 0.000) 4.770 8.577 ( 9.993 -4.299 0.000) 10.879 8.577 ( 9.993 4.299 0.000) 10.879 8.636 ( 6.147 -4.053 0.000) 7.362 8.636 ( 6.147 4.053 0.000) 7.362 8.858 ( 5.659 -0.802 0.000) 5.715 8.858 ( 5.659 0.802 0.000) 5.715 9.151 ( -1.318 -4.599 0.000) 4.784 9.151 ( -1.318 4.599 0.000) 4.784 9.285 ( 5.073 -5.738 0.000) 7.659 9.285 ( 5.073 5.738 0.000) 7.659 9.414 ( 1.083 -6.478 0.000) 6.568 9.414 ( 1.083 6.478 0.000) 6.568 9.692 ( 0.702 -3.585 0.000) 3.653 9.692 ( 0.702 3.585 0.000) 3.653 9.725 ( -0.102 -2.192 0.000) 2.194 9.725 ( -0.102 2.192 0.000) 2.194 9.988 ( -4.777 -2.263 0.000) 5.286 9.988 ( -4.777 2.263 0.000) 5.286 10.114 ( -6.063 -8.391 0.000) 10.352 10.114 ( -6.063 8.391 0.000) 10.352 16.731 ( -0.278 -2.344 0.000) 2.360 16.731 ( -0.278 2.344 0.000) 2.360 16.741 ( -0.413 -1.272 0.000) 1.338 16.741 ( -0.413 1.272 0.000) 1.338 16.811 ( 3.289 -1.346 0.000) 3.554 16.811 ( 3.289 1.346 0.000) 3.554 17.002 ( 3.510 -1.556 0.000) 3.840 17.002 ( 3.510 1.556 0.000) 3.840 17.010 ( -2.024 -0.728 0.000) 2.151 17.010 ( -2.024 0.728 0.000) 2.151 17.091 ( 1.872 -1.703 0.000) 2.531 17.091 ( 1.872 1.703 0.000) 2.531 17.101 ( -1.613 -1.398 0.000) 2.135 17.101 ( -1.613 1.398 0.000) 2.135 17.201 ( 0.265 -1.274 0.000) 1.301 17.201 ( 0.265 1.274 0.000) 1.301 17.240 ( 1.261 -2.436 0.000) 2.743 17.240 ( 1.261 2.436 0.000) 2.743 17.312 ( -2.590 -1.921 0.000) 3.225 17.312 ( -2.590 1.921 0.000) 3.225 17.434 ( -0.154 -1.830 0.000) 1.836 17.434 ( -0.154 1.830 0.000) 1.836 17.530 ( -0.983 -1.746 0.000) 2.004 17.530 ( -0.983 1.746 0.000) 2.004 21.684 ( 0.799 -2.634 0.000) 2.752 21.684 ( 0.799 2.634 0.000) 2.752 21.711 ( 0.343 -4.167 0.000) 4.181 21.711 ( 0.343 4.167 0.000) 4.181 21.966 ( 1.585 -1.829 0.000) 2.420 21.966 ( 1.585 1.829 0.000) 2.420 22.120 ( -3.245 -1.817 0.000) 3.719 22.120 ( -3.245 1.817 0.000) 3.719 22.242 ( 0.093 -1.164 0.000) 1.168 22.242 ( 0.093 1.164 0.000) 1.168 22.252 ( 0.165 -0.444 0.000) 0.474 22.252 ( 0.165 0.444 0.000) 0.474 26.941 ( 0.770 -0.138 0.000) 0.782 26.941 ( 0.770 0.138 0.000) 0.782 26.944 ( 0.673 -0.238 0.000) 0.714 26.944 ( 0.673 0.238 0.000) 0.714 27.010 ( -0.482 -0.266 0.000) 0.551 27.010 ( -0.482 0.266 0.000) 0.551 27.012 ( -0.706 -0.120 0.000) 0.716 27.012 ( -0.706 0.120 0.000) 0.716 27.378 ( -0.420 -0.232 0.000) 0.480 27.378 ( -0.420 0.232 0.000) 0.480 27.432 ( -2.129 -0.301 0.000) 2.151 27.432 ( -2.129 0.301 0.000) 2.151 36.137 ( 1.256 -0.857 0.000) 1.521 36.137 ( 1.256 0.857 0.000) 1.521 36.231 ( -1.203 -1.942 0.000) 2.284 36.231 ( -1.203 1.942 0.000) 2.284 36.448 ( 5.792 -0.952 0.000) 5.870 36.448 ( 5.792 0.952 0.000) 5.870 36.684 ( -0.591 -1.313 0.000) 1.439 36.684 ( -0.591 1.313 0.000) 1.439 36.965 ( 2.313 -0.414 0.000) 2.350 36.965 ( 2.313 0.414 0.000) 2.350 37.116 ( -5.478 -10.194 0.000) 11.573 37.116 ( -5.478 10.194 0.000) 11.573 37.226 ( -1.712 -3.231 0.000) 3.657 37.226 ( -1.712 3.231 0.000) 3.657 37.664 ( 2.907 -6.440 0.000) 7.066 37.664 ( 2.907 6.440 0.000) 7.066 37.700 ( -14.166 -4.655 0.000) 14.912 37.700 ( -14.166 4.655 0.000) 14.912 38.145 ( -6.406 -11.835 0.000) 13.458 38.145 ( -6.406 11.835 0.000) 13.458 38.779 ( 15.316 -2.877 0.000) 15.583 38.779 ( 15.316 2.877 0.000) 15.583 39.207 ( 0.994 -10.643 0.000) 10.689 39.207 ( 0.994 10.643 0.000) 10.689 ======================= Grid point 20 (12/36) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 17.604 -1.895 0.000) 17.705 1.737 ( 17.604 1.895 0.000) 17.705 1.755 ( 12.934 -10.310 0.000) 16.540 1.755 ( 12.934 10.310 0.000) 16.540 2.054 ( -6.085 -12.690 0.000) 14.073 2.054 ( -6.085 12.690 0.000) 14.073 2.094 ( -3.555 -5.798 0.000) 6.801 2.094 ( -3.555 5.798 0.000) 6.801 2.163 ( -1.183 -4.511 0.000) 4.663 2.163 ( -1.183 4.511 0.000) 4.663 2.172 ( -0.827 -7.718 0.000) 7.762 2.172 ( -0.827 7.718 0.000) 7.762 2.504 ( 3.320 -1.754 0.000) 3.755 2.504 ( 3.320 1.754 0.000) 3.755 2.605 ( 3.290 -2.388 0.000) 4.066 2.605 ( 3.290 2.388 0.000) 4.066 2.666 ( -2.154 -3.268 0.000) 3.914 2.666 ( -2.154 3.268 0.000) 3.914 2.678 ( -10.878 -8.561 0.000) 13.843 2.678 ( -10.878 8.561 0.000) 13.843 2.866 ( 3.932 -5.426 0.000) 6.701 2.866 ( 3.932 5.426 0.000) 6.701 2.911 ( 0.062 -6.617 0.000) 6.617 2.911 ( 0.062 6.617 0.000) 6.617 3.218 ( 3.943 -3.874 0.000) 5.528 3.218 ( 3.943 3.874 0.000) 5.528 3.224 ( 2.580 -6.265 0.000) 6.775 3.224 ( 2.580 6.265 0.000) 6.775 3.380 ( 4.517 -8.525 0.000) 9.648 3.380 ( 4.517 8.525 0.000) 9.648 3.464 ( -1.831 -7.114 0.000) 7.346 3.464 ( -1.831 7.114 0.000) 7.346 3.620 ( -0.057 -3.666 0.000) 3.666 3.620 ( -0.057 3.666 0.000) 3.666 3.652 ( 0.994 -7.904 0.000) 7.966 3.652 ( 0.994 7.904 0.000) 7.966 3.749 ( 5.932 -6.859 0.000) 9.069 3.749 ( 5.932 6.859 0.000) 9.069 3.851 ( 13.415 -5.673 0.000) 14.565 3.851 ( 13.415 5.673 0.000) 14.565 3.867 ( -5.060 -4.132 0.000) 6.533 3.867 ( -5.060 4.132 0.000) 6.533 4.032 ( -1.512 -4.436 0.000) 4.686 4.032 ( -1.512 4.436 0.000) 4.686 4.090 ( 2.737 -5.385 0.000) 6.041 4.090 ( 2.737 5.385 0.000) 6.041 4.155 ( -8.338 -3.404 0.000) 9.006 4.155 ( -8.338 3.404 0.000) 9.006 4.227 ( 8.917 -2.725 0.000) 9.324 4.227 ( 8.917 2.725 0.000) 9.324 4.487 ( -11.412 -1.318 0.000) 11.487 4.487 ( -11.412 1.318 0.000) 11.487 4.520 ( 6.525 -2.802 0.000) 7.101 4.520 ( 6.525 2.802 0.000) 7.101 4.669 ( -8.007 -4.499 0.000) 9.185 4.669 ( -8.007 4.499 0.000) 9.185 4.705 ( 5.988 -1.306 0.000) 6.128 4.705 ( 5.988 1.306 0.000) 6.128 4.817 ( -4.710 -4.804 0.000) 6.728 4.817 ( -4.710 4.804 0.000) 6.728 4.847 ( 0.242 -4.218 0.000) 4.225 4.847 ( 0.242 4.218 0.000) 4.225 4.905 ( -4.646 -4.693 0.000) 6.603 4.905 ( -4.645 4.693 0.000) 6.603 5.080 ( 6.851 -2.366 0.000) 7.248 5.080 ( 6.851 2.366 0.000) 7.248 5.226 ( -3.453 -4.215 0.000) 5.449 5.226 ( -3.453 4.215 0.000) 5.449 5.396 ( -2.202 -1.545 0.000) 2.690 5.396 ( -2.202 1.545 0.000) 2.690 5.436 ( -4.674 -5.268 0.000) 7.042 5.436 ( -4.674 5.268 0.000) 7.042 5.593 ( 0.222 -3.492 0.000) 3.499 5.593 ( 0.222 3.492 0.000) 3.499 5.597 ( -0.863 -5.211 0.000) 5.282 5.597 ( -0.863 5.211 0.000) 5.282 5.998 ( 1.182 -3.338 0.000) 3.541 5.998 ( 1.182 3.338 0.000) 3.541 6.016 ( -0.159 -3.657 0.000) 3.661 6.016 ( -0.159 3.657 0.000) 3.661 6.050 ( 1.008 -3.892 0.000) 4.020 6.050 ( 1.008 3.892 0.000) 4.020 6.064 ( -1.180 -3.010 0.000) 3.233 6.064 ( -1.180 3.010 0.000) 3.233 6.249 ( 4.190 -2.222 0.000) 4.743 6.249 ( 4.190 2.222 0.000) 4.743 6.292 ( -0.832 -0.999 0.000) 1.300 6.292 ( -0.832 0.999 0.000) 1.300 6.362 ( 0.113 -3.076 0.000) 3.078 6.362 ( 0.113 3.076 0.000) 3.078 6.430 ( -5.137 -4.212 0.000) 6.643 6.430 ( -5.137 4.212 0.000) 6.643 6.592 ( 5.126 -3.007 0.000) 5.943 6.592 ( 5.126 3.007 0.000) 5.943 6.705 ( -5.813 -2.624 0.000) 6.378 6.705 ( -5.813 2.624 0.000) 6.378 6.828 ( 5.866 -3.018 0.000) 6.597 6.828 ( 5.866 3.018 0.000) 6.597 6.930 ( -3.553 -4.105 0.000) 5.429 6.930 ( -3.553 4.105 0.000) 5.429 7.155 ( 1.719 -5.386 0.000) 5.654 7.155 ( 1.719 5.386 0.000) 5.654 7.173 ( -0.564 -6.623 0.000) 6.647 7.173 ( -0.564 6.623 0.000) 6.647 7.314 ( 0.581 -2.128 0.000) 2.206 7.314 ( 0.581 2.128 0.000) 2.206 7.364 ( -3.512 -3.780 0.000) 5.159 7.364 ( -3.512 3.780 0.000) 5.159 7.571 ( 5.497 -4.419 0.000) 7.053 7.571 ( 5.497 4.419 0.000) 7.053 7.681 ( -5.382 -4.404 0.000) 6.954 7.681 ( -5.382 4.404 0.000) 6.954 7.842 ( 1.340 -2.491 0.000) 2.829 7.842 ( 1.340 2.491 0.000) 2.829 7.863 ( 3.174 -1.844 0.000) 3.671 7.863 ( 3.174 1.844 0.000) 3.671 7.904 ( -1.631 -2.526 0.000) 3.007 7.904 ( -1.631 2.526 0.000) 3.007 7.978 ( -5.178 -1.263 0.000) 5.330 7.978 ( -5.178 1.263 0.000) 5.330 8.153 ( 1.199 -1.400 0.000) 1.844 8.153 ( 1.199 1.400 0.000) 1.844 8.202 ( -3.128 -2.040 0.000) 3.734 8.202 ( -3.128 2.040 0.000) 3.734 8.738 ( 4.798 -4.393 0.000) 6.505 8.738 ( 4.798 4.393 0.000) 6.505 8.739 ( 3.640 -1.275 0.000) 3.857 8.739 ( 3.640 1.275 0.000) 3.857 8.942 ( 4.141 -0.645 0.000) 4.191 8.942 ( 4.141 0.645 0.000) 4.191 9.058 ( -6.650 -2.907 0.000) 7.257 9.058 ( -6.650 2.907 0.000) 7.257 9.390 ( 4.274 -5.918 0.000) 7.300 9.390 ( 4.274 5.918 0.000) 7.300 9.431 ( -0.098 -4.740 0.000) 4.741 9.431 ( -0.098 4.740 0.000) 4.741 9.733 ( 2.989 -0.920 0.000) 3.127 9.733 ( 2.989 0.920 0.000) 3.127 9.741 ( 1.530 -1.545 0.000) 2.175 9.741 ( 1.530 1.545 0.000) 2.175 9.905 ( -2.170 -2.815 0.000) 3.554 9.905 ( -2.170 2.815 0.000) 3.554 9.971 ( -7.395 -4.342 0.000) 8.575 9.971 ( -7.395 4.342 0.000) 8.575 16.729 ( 0.049 -1.942 0.000) 1.943 16.729 ( 0.049 1.942 0.000) 1.943 16.733 ( -0.354 -1.689 0.000) 1.725 16.733 ( -0.354 1.689 0.000) 1.725 16.882 ( 3.705 -0.533 0.000) 3.743 16.882 ( 3.705 0.533 0.000) 3.743 16.954 ( -3.422 -0.308 0.000) 3.436 16.954 ( -3.422 0.308 0.000) 3.436 17.054 ( 1.604 -2.635 0.000) 3.084 17.054 ( 1.604 2.635 0.000) 3.084 17.077 ( -0.993 -2.602 0.000) 2.785 17.077 ( -0.993 2.602 0.000) 2.785 17.145 ( 3.416 -1.438 0.000) 3.706 17.145 ( 3.416 1.438 0.000) 3.706 17.200 ( -1.284 -1.430 0.000) 1.922 17.200 ( -1.284 1.430 0.000) 1.922 17.257 ( 0.300 -1.235 0.000) 1.271 17.257 ( 0.300 1.235 0.000) 1.271 17.265 ( -1.377 -0.872 0.000) 1.630 17.265 ( -1.377 0.872 0.000) 1.630 17.449 ( 1.762 -1.277 0.000) 2.176 17.449 ( 1.762 1.277 0.000) 2.176 17.495 ( -2.431 -1.444 0.000) 2.828 17.495 ( -2.431 1.444 0.000) 2.828 21.700 ( 0.731 -3.263 0.000) 3.344 21.700 ( 0.731 3.263 0.000) 3.344 21.711 ( -0.312 -3.922 0.000) 3.934 21.711 ( -0.312 3.922 0.000) 3.934 22.004 ( 2.275 -2.243 0.000) 3.195 22.004 ( 2.275 2.243 0.000) 3.195 22.056 ( -2.974 -2.389 0.000) 3.815 22.056 ( -2.974 2.389 0.000) 3.815 22.249 ( 0.395 -0.874 0.000) 0.959 22.249 ( 0.395 0.874 0.000) 0.959 22.254 ( -0.072 -0.635 0.000) 0.639 22.254 ( -0.072 0.635 0.000) 0.639 26.955 ( 0.516 -0.160 0.000) 0.540 26.955 ( 0.516 0.160 0.000) 0.540 26.956 ( 0.411 -0.202 0.000) 0.458 26.956 ( 0.411 0.202 0.000) 0.458 27.000 ( -0.425 -0.140 0.000) 0.448 27.000 ( -0.427 0.096 0.000) 0.438 27.000 ( -0.427 -0.097 0.000) 0.438 27.000 ( -0.425 0.141 0.000) 0.448 27.378 ( 0.427 -0.190 0.000) 0.467 27.378 ( 0.427 0.190 0.000) 0.467 27.396 ( -1.413 -0.115 0.000) 1.417 27.396 ( -1.413 0.115 0.000) 1.417 36.166 ( 1.652 -1.334 0.000) 2.123 36.166 ( 1.652 1.334 0.000) 2.123 36.200 ( -1.733 -1.784 0.000) 2.487 36.200 ( -1.733 1.784 0.000) 2.487 36.574 ( 6.141 -0.459 0.000) 6.159 36.574 ( 6.141 0.459 0.000) 6.159 36.661 ( -2.334 -1.077 0.000) 2.570 36.661 ( -2.334 1.077 0.000) 2.570 37.008 ( 0.488 -4.202 0.000) 4.230 37.008 ( 0.488 4.202 0.000) 4.230 37.026 ( -2.855 -8.173 0.000) 8.658 37.026 ( -2.855 8.173 0.000) 8.658 37.218 ( 4.810 -2.895 0.000) 5.614 37.218 ( 4.810 2.895 0.000) 5.614 37.417 ( -13.432 -2.848 0.000) 13.730 37.417 ( -13.432 2.848 0.000) 13.730 37.808 ( 9.438 -8.594 0.000) 12.765 37.808 ( 9.438 8.594 0.000) 12.765 37.993 ( -8.783 -10.496 0.000) 13.686 37.993 ( -8.783 10.496 0.000) 13.686 39.035 ( 10.205 -4.494 0.000) 11.150 39.035 ( 10.205 4.494 0.000) 11.150 39.177 ( -4.188 -6.874 0.000) 8.050 39.177 ( -4.188 6.874 0.000) 8.050 ======================= Grid point 35 (13/36) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 0.000 0.000 25.762) 25.762 0.539 ( 0.000 0.000 26.278) 26.278 1.216 ( 0.000 0.000 56.799) 56.799 1.339 ( 0.000 0.000 2.577) 2.577 1.675 ( 0.000 0.000 6.392) 6.392 1.714 ( 0.000 0.000 23.500) 23.500 1.774 ( 0.000 0.000 2.671) 2.671 1.789 ( 0.000 0.000 0.699) 0.699 2.028 ( 0.000 0.000 -5.481) 5.481 2.046 ( 0.000 0.000 -11.834) 11.834 2.102 ( 0.000 0.000 -0.286) 0.286 2.226 ( 0.000 0.000 -6.096) 6.096 2.326 ( 0.000 0.000 2.177) 2.177 2.427 ( 0.000 0.000 2.554) 2.554 2.454 ( 0.000 0.000 -8.940) 8.940 2.487 ( 0.000 0.000 2.560) 2.560 2.659 ( 0.000 0.000 -7.248) 7.248 2.786 ( 0.000 0.000 -1.144) 1.144 2.818 ( 0.000 0.000 0.904) 0.904 2.820 ( 0.000 0.000 -12.197) 12.197 2.839 ( 0.000 0.000 -0.523) 0.523 2.889 ( 0.000 0.000 -2.104) 2.104 2.958 ( 0.000 0.000 3.899) 3.899 2.961 ( 0.000 0.000 -5.867) 5.867 3.056 ( 0.000 0.000 4.338) 4.338 3.124 ( 0.000 0.000 4.840) 4.840 3.154 ( 0.000 0.000 -1.989) 1.989 3.199 ( 0.000 0.000 -0.945) 0.945 3.234 ( 0.000 0.000 -0.404) 0.404 3.239 ( 0.000 0.000 -1.148) 1.148 3.320 ( 0.000 0.000 -2.782) 2.782 3.332 ( 0.000 0.000 3.224) 3.224 3.455 ( 0.000 0.000 2.550) 2.550 3.467 ( 0.000 0.000 3.661) 3.661 3.478 ( 0.000 0.000 -8.133) 8.133 3.497 ( 0.000 0.000 -1.740) 1.740 3.544 ( 0.000 0.000 -3.646) 3.646 3.582 ( 0.000 0.000 -5.397) 5.397 3.604 ( 0.000 0.000 -1.536) 1.536 3.782 ( 0.000 0.000 4.273) 4.273 3.914 ( 0.000 0.000 2.859) 2.859 3.946 ( 0.000 0.000 3.068) 3.068 3.954 ( 0.000 0.000 -6.553) 6.553 3.976 ( 0.000 0.000 7.777) 7.777 4.044 ( 0.000 0.000 -4.741) 4.741 4.074 ( 0.000 0.000 -0.044) 0.044 4.095 ( 0.000 0.000 2.489) 2.489 4.095 ( 0.000 0.000 -1.400) 1.400 4.228 ( 0.000 0.000 4.090) 4.090 4.266 ( 0.000 0.000 6.170) 6.170 4.348 ( 0.000 0.000 3.103) 3.103 4.449 ( 0.000 0.000 -4.841) 4.841 4.472 ( 0.000 0.000 -1.885) 1.885 4.531 ( 0.000 0.000 -7.160) 7.160 4.542 ( 0.000 0.000 6.260) 6.260 4.679 ( 0.000 0.000 2.875) 2.875 4.684 ( 0.000 0.000 2.709) 2.709 4.838 ( 0.000 0.000 3.457) 3.457 4.890 ( 0.000 0.000 -1.596) 1.596 4.959 ( 0.000 0.000 -15.990) 15.990 4.995 ( 0.000 0.000 -10.789) 10.789 5.091 ( 0.000 0.000 1.225) 1.225 5.114 ( 0.000 0.000 4.153) 4.153 5.123 ( 0.000 0.000 1.257) 1.257 5.146 ( 0.000 0.000 -3.987) 3.987 5.221 ( 0.000 0.000 -0.053) 0.053 5.222 ( 0.000 0.000 2.145) 2.145 5.316 ( 0.000 0.000 -4.287) 4.287 5.331 ( 0.000 0.000 3.248) 3.248 5.504 ( 0.000 0.000 3.815) 3.815 5.516 ( 0.000 0.000 3.055) 3.055 5.565 ( 0.000 0.000 -0.007) 0.007 5.662 ( 0.000 0.000 1.259) 1.259 5.725 ( 0.000 0.000 -0.304) 0.304 5.735 ( 0.000 0.000 5.599) 5.599 5.801 ( 0.000 0.000 -0.434) 0.434 5.876 ( 0.000 0.000 -0.068) 0.068 5.881 ( 0.000 0.000 -6.491) 6.491 5.932 ( 0.000 0.000 -2.345) 2.345 5.969 ( 0.000 0.000 -7.907) 7.907 6.007 ( 0.000 0.000 -4.283) 4.283 6.050 ( 0.000 0.000 3.348) 3.348 6.051 ( 0.000 0.000 -0.104) 0.104 6.165 ( 0.000 0.000 -2.278) 2.278 6.256 ( 0.000 0.000 1.676) 1.676 6.260 ( 0.000 0.000 3.543) 3.543 6.270 ( 0.000 0.000 7.264) 7.264 6.320 ( 0.000 0.000 -0.490) 0.490 6.356 ( 0.000 0.000 3.730) 3.730 6.367 ( 0.000 0.000 0.940) 0.940 6.519 ( 0.000 0.000 0.955) 0.955 6.592 ( 0.000 0.000 2.502) 2.502 6.607 ( 0.000 0.000 0.420) 0.420 6.630 ( 0.000 0.000 -1.552) 1.552 6.661 ( 0.000 0.000 5.318) 5.318 6.666 ( 0.000 0.000 -0.067) 0.067 6.691 ( 0.000 0.000 -2.067) 2.067 6.842 ( 0.000 0.000 -4.205) 4.205 7.005 ( 0.000 0.000 -1.382) 1.382 7.005 ( 0.000 0.000 3.132) 3.132 7.097 ( 0.000 0.000 2.041) 2.041 7.119 ( 0.000 0.000 1.797) 1.797 7.167 ( 0.000 0.000 3.441) 3.441 7.234 ( 0.000 0.000 -8.136) 8.136 7.329 ( 0.000 0.000 -1.938) 1.938 7.374 ( 0.000 0.000 -1.462) 1.462 7.420 ( 0.000 0.000 4.549) 4.549 7.424 ( 0.000 0.000 3.235) 3.235 7.471 ( 0.000 0.000 4.771) 4.771 7.713 ( 0.000 0.000 -1.823) 1.823 7.716 ( 0.000 0.000 9.044) 9.044 7.731 ( 0.000 0.000 1.647) 1.647 7.751 ( 0.000 0.000 -0.393) 0.393 7.763 ( 0.000 0.000 -0.162) 0.162 7.790 ( 0.000 0.000 0.163) 0.163 7.871 ( 0.000 0.000 -2.261) 2.261 7.875 ( 0.000 0.000 -1.672) 1.672 8.053 ( 0.000 0.000 4.502) 4.502 8.067 ( 0.000 0.000 1.469) 1.469 8.210 ( 0.000 0.000 5.149) 5.149 8.242 ( 0.000 0.000 1.433) 1.433 8.277 ( 0.000 0.000 -6.778) 6.778 8.300 ( 0.000 0.000 -3.352) 3.352 8.324 ( 0.000 0.000 -1.895) 1.895 8.485 ( 0.000 0.000 3.652) 3.652 8.522 ( 0.000 0.000 -1.648) 1.648 8.591 ( 0.000 0.000 0.511) 0.511 8.593 ( 0.000 0.000 -3.400) 3.400 8.668 ( 0.000 0.000 -0.321) 0.321 8.786 ( 0.000 0.000 -14.684) 14.684 8.844 ( 0.000 0.000 2.826) 2.826 8.878 ( 0.000 0.000 0.155) 0.155 9.135 ( 0.000 0.000 0.499) 0.499 9.247 ( 0.000 0.000 4.118) 4.118 9.408 ( 0.000 0.000 -3.188) 3.188 9.448 ( 0.000 0.000 1.577) 1.577 9.519 ( 0.000 0.000 -4.547) 4.547 9.556 ( 0.000 0.000 -3.566) 3.566 9.630 ( 0.000 0.000 -6.407) 6.407 9.763 ( 0.000 0.000 2.968) 2.968 9.771 ( 0.000 0.000 -5.732) 5.732 10.089 ( 0.000 0.000 -3.333) 3.333 10.269 ( 0.000 0.000 13.643) 13.643 11.158 ( 0.000 0.000 -9.560) 9.560 16.666 ( 0.000 0.000 -1.848) 1.848 16.712 ( 0.000 0.000 0.016) 0.016 16.718 ( 0.000 0.000 -0.171) 0.171 16.742 ( 0.000 0.000 -0.058) 0.058 16.775 ( 0.000 0.000 -7.499) 7.499 16.819 ( 0.000 0.000 -2.470) 2.470 16.823 ( 0.000 0.000 -3.279) 3.279 16.865 ( 0.000 0.000 -0.145) 0.145 16.925 ( 0.000 0.000 -4.285) 4.285 17.005 ( 0.000 0.000 1.620) 1.620 17.026 ( 0.000 0.000 -3.068) 3.068 17.119 ( 0.000 0.000 -0.743) 0.743 17.152 ( 0.000 0.000 2.341) 2.341 17.191 ( 0.000 0.000 1.705) 1.705 17.207 ( 0.000 0.000 1.859) 1.859 17.216 ( 0.000 0.000 2.854) 2.854 17.319 ( 0.000 0.000 0.838) 0.838 17.355 ( 0.000 0.000 2.348) 2.348 17.360 ( 0.000 0.000 2.488) 2.488 17.369 ( 0.000 0.000 -2.175) 2.175 17.385 ( 0.000 0.000 2.324) 2.324 17.430 ( 0.000 0.000 0.161) 0.161 17.597 ( 0.000 0.000 5.530) 5.530 17.633 ( 0.000 0.000 3.260) 3.260 21.625 ( 0.000 0.000 0.186) 0.186 21.636 ( 0.000 0.000 -0.082) 0.082 21.749 ( 0.000 0.000 0.010) 0.010 21.755 ( 0.000 0.000 -0.119) 0.119 21.898 ( 0.000 0.000 0.309) 0.309 21.945 ( 0.000 0.000 -0.843) 0.843 21.990 ( 0.000 0.000 0.932) 0.932 22.133 ( 0.000 0.000 -1.806) 1.806 22.184 ( 0.000 0.000 0.684) 0.684 22.196 ( 0.000 0.000 -0.602) 0.602 22.235 ( 0.000 0.000 -0.506) 0.506 22.245 ( 0.000 0.000 -0.676) 0.676 26.893 ( 0.000 0.000 -1.781) 1.781 26.898 ( 0.000 0.000 -1.699) 1.699 26.908 ( 0.000 0.000 -1.177) 1.177 26.915 ( 0.000 0.000 -1.579) 1.579 27.044 ( 0.000 0.000 1.945) 1.945 27.046 ( 0.000 0.000 2.174) 2.174 27.052 ( 0.000 0.000 1.804) 1.804 27.053 ( 0.000 0.000 1.620) 1.620 27.392 ( 0.000 0.000 -0.529) 0.529 27.395 ( 0.000 0.000 -0.522) 0.522 27.494 ( 0.000 0.000 0.849) 0.849 27.519 ( 0.000 0.000 0.068) 0.068 36.128 ( 0.000 0.000 2.343) 2.343 36.128 ( 0.000 0.000 1.732) 1.732 36.253 ( 0.000 0.000 -0.396) 0.396 36.314 ( 0.000 0.000 -1.721) 1.721 36.565 ( 0.000 0.000 17.356) 17.356 36.731 ( 0.000 0.000 1.847) 1.847 36.759 ( 0.000 0.000 2.855) 2.855 37.001 ( 0.000 0.000 -1.947) 1.947 37.023 ( 0.000 0.000 3.067) 3.067 37.027 ( 0.000 0.000 4.657) 4.657 37.051 ( 0.000 0.000 -0.819) 0.819 37.091 ( 0.000 0.000 5.110) 5.110 37.397 ( 0.000 0.000 -3.246) 3.246 37.465 ( 0.000 0.000 -8.339) 8.339 37.787 ( 0.000 0.000 -11.746) 11.746 37.895 ( 0.000 0.000 -8.480) 8.480 37.928 ( 0.000 0.000 13.992) 13.992 38.096 ( 0.000 0.000 1.418) 1.418 38.123 ( 0.000 0.000 1.131) 1.131 38.168 ( 0.000 0.000 -0.318) 0.318 38.188 ( 0.000 0.000 -0.830) 0.830 38.578 ( 0.000 0.000 9.108) 9.108 39.030 ( 0.000 0.000 -11.886) 11.886 39.215 ( 0.000 0.000 -5.764) 5.764 ======================= Grid point 36 (14/36) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 16.163 0.000 17.433) 23.773 0.814 ( 18.144 0.000 20.342) 27.258 1.382 ( 3.958 0.000 3.121) 5.040 1.495 ( 24.637 0.000 37.969) 45.261 1.720 ( 3.863 0.000 18.158) 18.564 1.762 ( 8.097 0.000 3.989) 9.026 1.821 ( 4.063 0.000 1.478) 4.323 1.965 ( 12.579 0.000 9.035) 15.488 2.048 ( 1.530 0.000 -3.959) 4.244 2.107 ( 9.058 0.000 -12.714) 15.611 2.202 ( -1.657 0.000 -0.910) 1.891 2.210 ( 10.002 0.000 -1.181) 10.072 2.373 ( 3.464 0.000 -0.773) 3.549 2.444 ( 1.580 0.000 1.042) 1.893 2.487 ( -0.025 0.000 1.376) 1.376 2.515 ( 6.605 0.000 -6.635) 9.362 2.647 ( -2.473 0.000 -6.659) 7.103 2.710 ( -5.597 0.000 -2.303) 6.052 2.722 ( -3.266 0.000 -0.115) 3.268 2.816 ( -2.347 0.000 -0.200) 2.356 2.845 ( -6.420 0.000 4.054) 7.593 2.877 ( 2.734 0.000 -7.549) 8.029 2.896 ( -0.700 0.000 -3.881) 3.943 3.045 ( -1.761 0.000 6.293) 6.534 3.058 ( 3.897 0.000 -1.326) 4.116 3.125 ( 1.353 0.000 -0.133) 1.359 3.131 ( -1.455 0.000 -4.949) 5.159 3.187 ( -1.815 0.000 -4.038) 4.427 3.294 ( 5.329 0.000 0.533) 5.355 3.294 ( 5.431 0.000 -0.005) 5.431 3.360 ( 3.129 0.000 -4.797) 5.728 3.372 ( 1.138 0.000 1.189) 1.645 3.427 ( -2.506 0.000 0.558) 2.567 3.438 ( 2.139 0.000 1.331) 2.520 3.474 ( -1.810 0.000 -4.888) 5.212 3.591 ( 6.570 0.000 2.292) 6.958 3.627 ( 7.262 0.000 -2.943) 7.836 3.647 ( 5.545 0.000 -5.478) 7.795 3.721 ( 8.889 0.000 -1.533) 9.020 3.829 ( 3.095 0.000 1.243) 3.335 3.889 ( -1.512 0.000 2.679) 3.076 3.908 ( -2.741 0.000 3.659) 4.571 3.957 ( -1.446 0.000 4.673) 4.891 3.964 ( -2.403 0.000 -1.959) 3.100 3.978 ( -0.511 0.000 -1.940) 2.006 4.022 ( -4.243 0.000 3.743) 5.658 4.057 ( -0.250 0.000 -3.712) 3.720 4.177 ( 1.782 0.000 5.948) 6.209 4.258 ( 5.557 0.000 -2.785) 6.216 4.270 ( 3.841 0.000 4.644) 6.026 4.350 ( -2.201 0.000 6.579) 6.938 4.441 ( -2.823 0.000 -4.871) 5.630 4.522 ( 3.903 0.000 -2.111) 4.437 4.543 ( 1.359 0.000 -0.584) 1.479 4.569 ( 0.922 0.000 6.104) 6.174 4.676 ( 1.834 0.000 -0.065) 1.835 4.753 ( -6.762 0.000 2.561) 7.231 4.770 ( 6.545 0.000 -5.594) 8.609 4.906 ( 2.404 0.000 -0.440) 2.444 4.943 ( -0.196 0.000 -7.581) 7.584 5.001 ( -1.561 0.000 -1.162) 1.946 5.027 ( -5.135 0.000 0.741) 5.189 5.033 ( -2.548 0.000 -2.628) 3.661 5.127 ( -2.496 0.000 -0.932) 2.664 5.163 ( 1.426 0.000 -1.789) 2.288 5.180 ( -3.740 0.000 2.170) 4.324 5.239 ( -0.032 0.000 -5.108) 5.108 5.313 ( -1.574 0.000 4.211) 4.495 5.314 ( 2.198 0.000 2.322) 3.197 5.369 ( -7.892 0.000 4.234) 8.956 5.550 ( 0.412 0.000 -1.812) 1.859 5.553 ( -2.564 0.000 3.289) 4.170 5.584 ( -6.203 0.000 -1.104) 6.301 5.704 ( -5.018 0.000 3.393) 6.057 5.736 ( 3.924 0.000 -0.736) 3.992 5.800 ( -5.178 0.000 -4.315) 6.741 5.824 ( 0.321 0.000 0.874) 0.931 5.870 ( -0.797 0.000 0.583) 0.987 5.974 ( 0.318 0.000 -7.565) 7.572 5.974 ( 1.538 0.000 0.608) 1.653 5.988 ( -1.577 0.000 -0.033) 1.577 6.023 ( -1.798 0.000 -0.224) 1.812 6.065 ( 3.885 0.000 -4.050) 5.612 6.176 ( -1.643 0.000 -4.729) 5.006 6.250 ( 3.868 0.000 2.434) 4.571 6.268 ( 0.571 0.000 3.822) 3.864 6.306 ( -2.384 0.000 4.076) 4.722 6.348 ( 1.520 0.000 -0.297) 1.549 6.353 ( -4.006 0.000 1.899) 4.433 6.411 ( 1.911 0.000 0.765) 2.059 6.512 ( 0.418 0.000 1.489) 1.547 6.563 ( -4.382 0.000 -1.837) 4.751 6.588 ( -0.065 0.000 0.857) 0.859 6.599 ( -3.627 0.000 -0.805) 3.715 6.636 ( 2.244 0.000 1.924) 2.956 6.714 ( 2.692 0.000 1.191) 2.944 6.749 ( 4.731 0.000 3.359) 5.802 6.841 ( -1.810 0.000 -3.217) 3.691 6.900 ( -5.589 0.000 6.498) 8.571 7.005 ( -0.059 0.000 -0.468) 0.472 7.078 ( -2.620 0.000 2.184) 3.411 7.128 ( -2.873 0.000 -1.521) 3.250 7.170 ( 4.489 0.000 0.911) 4.581 7.261 ( 3.584 0.000 -0.591) 3.633 7.315 ( -1.421 0.000 -1.601) 2.140 7.370 ( 0.149 0.000 -3.260) 3.264 7.420 ( -0.456 0.000 3.084) 3.118 7.451 ( 0.801 0.000 3.944) 4.025 7.561 ( 0.649 0.000 0.498) 0.818 7.647 ( -2.844 0.000 2.397) 3.719 7.650 ( -4.040 0.000 0.983) 4.158 7.738 ( 1.039 0.000 1.418) 1.758 7.750 ( -0.653 0.000 -0.955) 1.157 7.783 ( -0.354 0.000 0.037) 0.356 7.802 ( 2.244 0.000 -1.494) 2.696 7.874 ( 0.247 0.000 -3.650) 3.658 7.916 ( 3.503 0.000 -4.085) 5.382 8.017 ( -0.685 0.000 4.682) 4.732 8.138 ( -4.299 0.000 5.794) 7.214 8.175 ( 4.701 0.000 0.834) 4.774 8.200 ( -3.307 0.000 1.229) 3.528 8.326 ( 2.964 0.000 -0.926) 3.105 8.346 ( 4.379 0.000 -0.365) 4.394 8.373 ( -3.892 0.000 -3.298) 5.101 8.467 ( -2.110 0.000 -0.059) 2.111 8.480 ( 1.858 0.000 -0.052) 1.859 8.525 ( -7.236 0.000 1.886) 7.477 8.625 ( 9.047 0.000 -0.829) 9.085 8.688 ( 5.931 0.000 -3.915) 7.107 8.839 ( 1.735 0.000 2.937) 3.411 8.866 ( 3.308 0.000 -11.462) 11.930 9.021 ( 7.552 0.000 -1.553) 7.710 9.182 ( 2.248 0.000 1.221) 2.558 9.237 ( 1.247 0.000 1.998) 2.355 9.432 ( 2.195 0.000 -3.207) 3.886 9.460 ( 1.139 0.000 1.609) 1.971 9.552 ( 1.584 0.000 -3.851) 4.164 9.642 ( 4.915 0.000 -12.978) 13.877 9.653 ( 4.083 0.000 -6.322) 7.526 9.721 ( -3.701 0.000 1.674) 4.062 9.761 ( -1.328 0.000 -4.207) 4.411 10.024 ( -6.078 0.000 -3.222) 6.879 10.224 ( -4.329 0.000 11.725) 12.498 10.841 ( -22.008 0.000 4.987) 22.566 16.666 ( 0.037 0.000 -1.821) 1.821 16.723 ( -1.235 0.000 -1.619) 2.037 16.734 ( 1.720 0.000 0.454) 1.779 16.751 ( 2.862 0.000 -0.364) 2.885 16.800 ( 1.767 0.000 -5.507) 5.783 16.808 ( -0.605 0.000 -2.415) 2.490 16.848 ( 2.104 0.000 -2.707) 3.428 16.887 ( 1.764 0.000 -2.316) 2.911 16.923 ( -0.213 0.000 -4.328) 4.333 17.005 ( -1.422 0.000 -2.308) 2.710 17.016 ( 0.737 0.000 -0.132) 0.749 17.097 ( -0.299 0.000 -1.031) 1.074 17.160 ( 0.847 0.000 2.371) 2.517 17.164 ( -2.564 0.000 2.431) 3.533 17.213 ( 0.537 0.000 1.131) 1.252 17.220 ( 0.459 0.000 2.880) 2.916 17.285 ( -3.422 0.000 1.427) 3.707 17.346 ( -1.352 0.000 2.478) 2.823 17.350 ( 0.676 0.000 1.237) 1.410 17.375 ( -1.004 0.000 2.272) 2.484 17.378 ( -0.416 0.000 1.257) 1.324 17.440 ( 0.841 0.000 0.017) 0.841 17.588 ( -0.390 0.000 5.569) 5.582 17.629 ( -0.514 0.000 3.247) 3.287 21.628 ( 0.271 0.000 0.166) 0.318 21.637 ( 0.034 0.000 -0.036) 0.050 21.740 ( 0.923 0.000 0.601) 1.101 21.872 ( 4.379 0.000 -6.505) 7.842 21.900 ( 0.221 0.000 0.337) 0.403 21.951 ( 0.384 0.000 -1.007) 1.078 21.987 ( -0.017 0.000 1.128) 1.128 22.141 ( 0.415 0.000 -2.578) 2.611 22.188 ( -0.490 0.000 0.260) 0.555 22.194 ( 1.166 0.000 0.263) 1.195 22.237 ( 0.143 0.000 -0.444) 0.466 22.250 ( 0.344 0.000 -0.655) 0.740 26.901 ( 0.777 0.000 -1.586) 1.766 26.906 ( 0.773 0.000 -1.517) 1.702 26.916 ( 0.762 0.000 -1.115) 1.351 26.920 ( 0.635 0.000 -1.335) 1.478 27.036 ( -0.638 0.000 1.629) 1.749 27.038 ( -0.692 0.000 1.985) 2.102 27.045 ( -0.722 0.000 1.653) 1.804 27.048 ( -0.538 0.000 1.423) 1.521 27.384 ( -0.631 0.000 -0.325) 0.710 27.390 ( -0.458 0.000 -0.369) 0.588 27.478 ( -1.503 0.000 0.765) 1.686 27.497 ( -2.051 0.000 0.235) 2.065 36.132 ( 0.600 0.000 2.834) 2.897 36.145 ( 1.686 0.000 2.256) 2.816 36.288 ( 3.623 0.000 -0.481) 3.655 36.351 ( 3.564 0.000 -1.558) 3.890 36.535 ( -2.892 0.000 16.509) 16.760 36.696 ( -5.291 0.000 7.362) 9.066 36.750 ( -0.706 0.000 4.657) 4.710 36.930 ( -8.630 0.000 10.973) 13.960 36.932 ( -2.784 0.000 -0.160) 2.789 36.970 ( -5.259 0.000 0.665) 5.301 37.030 ( -9.792 0.000 6.639) 11.831 37.194 ( 7.406 0.000 1.839) 7.631 37.236 ( -8.306 0.000 8.744) 12.060 37.456 ( 4.143 0.000 -1.845) 4.535 37.467 ( -7.884 0.000 -7.031) 10.564 37.704 ( -12.340 0.000 0.210) 12.342 37.845 ( -4.621 0.000 -7.315) 8.652 37.921 ( -12.760 0.000 5.300) 13.817 38.025 ( -7.856 0.000 0.878) 7.905 38.297 ( 6.140 0.000 -6.321) 8.812 38.451 ( 15.351 0.000 2.273) 15.519 38.621 ( 9.128 0.000 9.169) 12.938 38.938 ( 1.373 0.000 -3.690) 3.938 39.450 ( 3.516 0.000 -16.311) 16.686 ======================= Grid point 37 (15/36) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 18.685 0.000 8.294) 20.443 1.183 ( 19.745 0.000 10.765) 22.488 1.481 ( 5.537 0.000 3.336) 6.464 1.776 ( 7.445 0.000 7.411) 10.505 1.901 ( 7.039 0.000 1.003) 7.111 2.012 ( 16.088 0.000 15.014) 22.006 2.025 ( 13.451 0.000 1.004) 13.489 2.063 ( 0.124 0.000 1.616) 1.621 2.160 ( 5.449 0.000 2.292) 5.911 2.177 ( -1.065 0.000 3.143) 3.318 2.304 ( 3.948 0.000 -3.040) 4.983 2.380 ( -3.858 0.000 -0.187) 3.862 2.407 ( 4.040 0.000 -2.746) 4.885 2.459 ( -1.265 0.000 -0.500) 1.361 2.524 ( 1.941 0.000 -3.441) 3.950 2.577 ( 1.175 0.000 -3.432) 3.628 2.621 ( 6.539 0.000 1.247) 6.657 2.705 ( -0.607 0.000 -1.735) 1.838 2.720 ( 7.077 0.000 2.265) 7.431 2.755 ( -2.980 0.000 -0.609) 3.041 2.819 ( 7.409 0.000 3.074) 8.022 2.841 ( -3.894 0.000 -0.505) 3.926 2.945 ( 4.381 0.000 -3.089) 5.361 3.032 ( 0.957 0.000 2.442) 2.623 3.049 ( -1.150 0.000 0.828) 1.417 3.146 ( 2.391 0.000 -4.303) 4.922 3.163 ( 1.293 0.000 -1.878) 2.280 3.230 ( 5.426 0.000 -7.498) 9.255 3.281 ( -6.328 0.000 -2.845) 6.938 3.352 ( -3.944 0.000 -0.753) 4.016 3.377 ( 2.496 0.000 0.719) 2.598 3.396 ( -1.398 0.000 -4.060) 4.294 3.431 ( 3.884 0.000 -1.561) 4.186 3.503 ( 4.227 0.000 5.479) 6.920 3.516 ( 4.976 0.000 -7.018) 8.603 3.668 ( -1.097 0.000 -5.141) 5.257 3.726 ( -6.117 0.000 0.023) 6.117 3.732 ( 2.294 0.000 4.079) 4.680 3.794 ( 0.288 0.000 -2.068) 2.088 3.796 ( 7.920 0.000 -1.869) 8.137 3.919 ( -0.074 0.000 0.790) 0.794 3.922 ( -0.432 0.000 -0.226) 0.487 3.937 ( 4.821 0.000 5.885) 7.608 3.972 ( -1.000 0.000 4.027) 4.149 4.021 ( 4.057 0.000 0.019) 4.057 4.081 ( 14.128 0.000 1.188) 14.178 4.098 ( 4.141 0.000 -0.549) 4.177 4.234 ( 4.713 0.000 1.236) 4.873 4.318 ( -3.208 0.000 -2.973) 4.374 4.326 ( 2.153 0.000 7.367) 7.675 4.375 ( 0.159 0.000 2.600) 2.605 4.408 ( 6.388 0.000 -2.325) 6.798 4.523 ( -1.723 0.000 2.767) 3.259 4.546 ( -1.690 0.000 1.013) 1.970 4.620 ( 1.718 0.000 1.668) 2.394 4.644 ( -3.286 0.000 3.260) 4.629 4.713 ( 1.283 0.000 -0.353) 1.331 4.872 ( -1.269 0.000 2.308) 2.634 4.896 ( -0.672 0.000 -3.114) 3.185 4.914 ( -0.568 0.000 -0.270) 0.629 4.982 ( -1.569 0.000 1.901) 2.465 5.027 ( 4.208 0.000 -4.252) 5.982 5.033 ( -0.009 0.000 -0.128) 0.128 5.083 ( -3.329 0.000 1.543) 3.669 5.087 ( -6.788 0.000 1.399) 6.930 5.146 ( 0.281 0.000 2.791) 2.805 5.231 ( 1.976 0.000 -3.915) 4.385 5.235 ( -4.575 0.000 2.778) 5.352 5.285 ( -1.079 0.000 4.384) 4.514 5.324 ( -1.844 0.000 0.129) 1.848 5.416 ( -6.962 0.000 0.860) 7.015 5.520 ( -5.564 0.000 0.791) 5.620 5.523 ( -2.863 0.000 -7.269) 7.812 5.611 ( -1.421 0.000 -4.310) 4.538 5.683 ( -6.836 0.000 -2.970) 7.453 5.768 ( -4.213 0.000 -2.774) 5.044 5.786 ( 1.974 0.000 -1.906) 2.744 5.867 ( -0.201 0.000 2.043) 2.053 5.949 ( -5.138 0.000 -2.165) 5.576 5.989 ( 1.317 0.000 -5.788) 5.935 6.002 ( 0.429 0.000 4.920) 4.939 6.060 ( 6.435 0.000 1.896) 6.709 6.098 ( -1.183 0.000 -3.869) 4.045 6.157 ( 0.600 0.000 -5.023) 5.059 6.255 ( -1.868 0.000 4.669) 5.029 6.265 ( -3.215 0.000 -0.185) 3.220 6.283 ( 0.238 0.000 4.257) 4.264 6.303 ( 0.489 0.000 2.482) 2.530 6.388 ( 3.157 0.000 -0.124) 3.159 6.434 ( -6.904 0.000 1.767) 7.126 6.451 ( 2.517 0.000 -1.531) 2.946 6.471 ( -2.279 0.000 0.004) 2.279 6.533 ( -2.860 0.000 -3.172) 4.271 6.620 ( 3.088 0.000 1.351) 3.370 6.714 ( 3.845 0.000 -0.701) 3.908 6.717 ( -7.008 0.000 -0.357) 7.017 6.763 ( -1.249 0.000 -1.472) 1.931 6.846 ( 4.622 0.000 2.832) 5.421 6.847 ( -0.868 0.000 1.451) 1.691 7.003 ( -0.165 0.000 0.305) 0.346 7.021 ( -1.373 0.000 2.965) 3.268 7.149 ( 3.239 0.000 0.756) 3.326 7.257 ( -4.722 0.000 -1.433) 4.935 7.263 ( 3.381 0.000 -0.308) 3.395 7.282 ( -0.441 0.000 0.027) 0.442 7.400 ( -1.668 0.000 3.748) 4.102 7.412 ( -3.846 0.000 1.396) 4.091 7.419 ( -1.429 0.000 2.828) 3.168 7.469 ( 3.246 0.000 0.004) 3.246 7.586 ( -2.247 0.000 1.795) 2.875 7.679 ( 0.193 0.000 2.624) 2.631 7.711 ( -2.510 0.000 -1.756) 3.063 7.769 ( 3.396 0.000 0.180) 3.401 7.793 ( 1.159 0.000 0.044) 1.159 7.835 ( 0.886 0.000 -2.091) 2.270 7.881 ( 0.461 0.000 -3.556) 3.586 7.965 ( 0.222 0.000 1.590) 1.605 8.034 ( 1.640 0.000 6.149) 6.364 8.054 ( -4.487 0.000 2.624) 5.198 8.154 ( -2.723 0.000 1.037) 2.914 8.186 ( -8.627 0.000 3.518) 9.317 8.215 ( -0.466 0.000 -0.064) 0.470 8.268 ( -4.071 0.000 4.290) 5.914 8.379 ( -5.202 0.000 1.492) 5.412 8.486 ( 8.797 0.000 1.473) 8.920 8.584 ( 9.115 0.000 -0.288) 9.120 8.645 ( 9.052 0.000 -1.572) 9.187 8.800 ( 5.052 0.000 -3.809) 6.327 8.806 ( 6.670 0.000 -6.163) 9.081 8.880 ( 2.042 0.000 2.520) 3.243 8.886 ( -0.721 0.000 -5.032) 5.083 9.118 ( 1.576 0.000 -2.822) 3.232 9.195 ( 1.457 0.000 2.651) 3.025 9.299 ( 3.042 0.000 -4.661) 5.566 9.491 ( 3.388 0.000 -4.632) 5.739 9.493 ( 2.209 0.000 1.343) 2.585 9.599 ( 3.356 0.000 -4.171) 5.354 9.636 ( -4.085 0.000 1.492) 4.349 9.702 ( 2.098 0.000 -10.500) 10.708 9.725 ( -2.089 0.000 -3.449) 4.032 9.747 ( 4.350 0.000 -5.824) 7.269 9.877 ( -7.932 0.000 -3.032) 8.492 10.109 ( -6.851 0.000 6.890) 9.716 10.443 ( -18.272 0.000 3.941) 18.692 16.669 ( 0.229 0.000 -1.696) 1.712 16.701 ( -0.903 0.000 -1.617) 1.852 16.762 ( 0.672 0.000 -0.487) 0.830 16.792 ( -0.753 0.000 -1.571) 1.742 16.813 ( 3.081 0.000 0.310) 3.097 16.836 ( 1.792 0.000 -4.744) 5.071 16.900 ( 2.881 0.000 -1.658) 3.324 16.915 ( -0.621 0.000 -4.403) 4.447 16.932 ( 1.744 0.000 -3.788) 4.170 16.987 ( 0.903 0.000 -2.291) 2.462 17.051 ( 2.711 0.000 -0.995) 2.887 17.094 ( -2.248 0.000 -0.580) 2.322 17.126 ( 0.930 0.000 0.079) 0.933 17.184 ( 1.512 0.000 2.453) 2.882 17.213 ( -2.653 0.000 0.799) 2.771 17.217 ( -1.289 0.000 1.410) 1.910 17.235 ( 1.057 0.000 2.852) 3.041 17.311 ( -2.028 0.000 2.468) 3.194 17.325 ( -3.017 0.000 0.304) 3.033 17.347 ( -1.712 0.000 2.225) 2.807 17.402 ( 2.644 0.000 3.292) 4.222 17.451 ( 0.402 0.000 0.706) 0.813 17.577 ( -0.939 0.000 4.883) 4.972 17.611 ( -1.328 0.000 3.236) 3.498 21.634 ( 0.326 0.000 0.124) 0.349 21.638 ( 0.105 0.000 0.039) 0.112 21.769 ( 1.856 0.000 0.470) 1.915 21.894 ( -1.110 0.000 -3.570) 3.738 21.908 ( 0.526 0.000 0.369) 0.642 21.949 ( -0.539 0.000 -0.383) 0.661 22.002 ( 1.488 0.000 0.443) 1.553 22.126 ( -1.791 0.000 -2.314) 2.926 22.196 ( 1.139 0.000 0.376) 1.200 22.224 ( 1.545 0.000 -0.648) 1.676 22.238 ( -0.041 0.000 -0.348) 0.351 22.256 ( 0.261 0.000 -0.602) 0.656 26.923 ( 1.330 0.000 -1.022) 1.677 26.927 ( 1.271 0.000 -0.980) 1.605 26.936 ( 1.193 0.000 -0.763) 1.416 26.939 ( 1.175 0.000 -0.844) 1.446 27.020 ( -1.130 0.000 1.425) 1.819 27.020 ( -0.970 0.000 0.957) 1.363 27.025 ( -1.237 0.000 1.193) 1.719 27.032 ( -1.080 0.000 0.982) 1.460 27.374 ( -0.265 0.000 -0.029) 0.267 27.382 ( -0.258 0.000 -0.185) 0.318 27.441 ( -2.030 0.000 0.585) 2.113 27.449 ( -2.479 0.000 0.446) 2.519 36.159 ( 2.230 0.000 4.350) 4.888 36.193 ( 3.171 0.000 3.792) 4.943 36.399 ( 7.399 0.000 -0.469) 7.414 36.438 ( 1.928 0.000 4.133) 4.560 36.467 ( -0.641 0.000 8.466) 8.490 36.492 ( -10.828 0.000 20.812) 23.460 36.730 ( -1.234 0.000 5.191) 5.336 36.823 ( -0.216 0.000 2.945) 2.953 36.838 ( -6.450 0.000 0.270) 6.456 36.945 ( 2.985 0.000 -2.355) 3.802 36.955 ( -0.767 0.000 -0.231) 0.801 37.173 ( -3.850 0.000 0.372) 3.868 37.312 ( 2.312 0.000 -5.481) 5.948 37.328 ( -6.188 0.000 -7.455) 9.689 37.475 ( -10.988 0.000 -0.229) 10.991 37.511 ( 1.994 0.000 1.980) 2.810 37.675 ( -13.513 0.000 -5.275) 14.506 37.748 ( -4.101 0.000 -3.389) 5.320 37.917 ( 0.159 0.000 6.757) 6.759 38.308 ( -3.752 0.000 -4.025) 5.502 38.737 ( 13.058 0.000 2.119) 13.228 38.877 ( 13.959 0.000 2.974) 14.272 39.004 ( 3.759 0.000 -2.108) 4.310 39.415 ( -4.692 0.000 -9.531) 10.623 ======================= Grid point 38 (16/36) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 13.419 0.000 2.510) 13.652 1.556 ( -0.021 0.000 1.714) 1.714 1.582 ( 19.505 0.000 -0.290) 19.508 1.872 ( -4.194 0.000 -2.064) 4.674 2.017 ( 1.036 0.000 6.288) 6.373 2.058 ( 0.847 0.000 4.645) 4.722 2.091 ( -0.408 0.000 -3.399) 3.423 2.133 ( 1.578 0.000 4.696) 4.954 2.228 ( -7.824 0.000 4.938) 9.252 2.278 ( 8.757 0.000 2.140) 9.014 2.279 ( -6.736 0.000 -2.301) 7.118 2.293 ( 9.992 0.000 -1.212) 10.066 2.404 ( -2.131 0.000 -1.967) 2.900 2.413 ( -2.376 0.000 7.885) 8.236 2.530 ( 0.804 0.000 -2.774) 2.888 2.599 ( -5.015 0.000 -1.559) 5.252 2.735 ( 3.710 0.000 0.228) 3.717 2.737 ( 3.191 0.000 -4.154) 5.238 2.776 ( 2.927 0.000 3.208) 4.342 2.789 ( 5.029 0.000 -2.856) 5.783 2.800 ( -1.841 0.000 2.852) 3.395 3.023 ( 9.457 0.000 -1.042) 9.515 3.048 ( -8.356 0.000 -1.911) 8.572 3.070 ( 4.709 0.000 -0.514) 4.737 3.087 ( 4.327 0.000 1.647) 4.630 3.090 ( -3.211 0.000 -1.908) 3.735 3.144 ( -3.413 0.000 0.670) 3.478 3.171 ( -2.328 0.000 1.863) 2.982 3.308 ( 0.594 0.000 -2.102) 2.184 3.345 ( -2.719 0.000 -3.659) 4.559 3.381 ( 5.939 0.000 -4.201) 7.274 3.420 ( 3.298 0.000 -1.819) 3.766 3.489 ( 1.976 0.000 -3.020) 3.609 3.574 ( -5.282 0.000 -2.937) 6.044 3.582 ( 3.255 0.000 3.329) 4.656 3.638 ( -2.912 0.000 1.398) 3.231 3.642 ( 7.258 0.000 -11.279) 13.413 3.734 ( -0.759 0.000 -4.382) 4.447 3.845 ( 1.926 0.000 4.295) 4.707 3.898 ( -3.365 0.000 0.400) 3.388 3.931 ( 1.248 0.000 2.015) 2.371 3.955 ( -0.436 0.000 2.562) 2.599 3.985 ( 9.586 0.000 -1.187) 9.659 4.021 ( 7.633 0.000 5.077) 9.167 4.116 ( 4.569 0.000 1.394) 4.777 4.161 ( 2.376 0.000 1.965) 3.083 4.181 ( -9.148 0.000 -2.292) 9.431 4.350 ( -5.884 0.000 8.439) 10.288 4.373 ( 7.076 0.000 2.912) 7.652 4.380 ( 6.478 0.000 0.718) 6.518 4.422 ( 11.143 0.000 -1.906) 11.305 4.446 ( -2.969 0.000 4.918) 5.745 4.499 ( -3.015 0.000 3.156) 4.365 4.522 ( 5.549 0.000 -5.124) 7.553 4.618 ( -1.442 0.000 0.828) 1.662 4.638 ( 1.899 0.000 0.946) 2.122 4.678 ( -7.848 0.000 5.836) 9.780 4.731 ( -5.526 0.000 2.583) 6.100 4.829 ( -7.915 0.000 3.253) 8.557 4.887 ( -9.520 0.000 6.466) 11.509 4.894 ( 0.390 0.000 2.338) 2.370 4.956 ( -2.298 0.000 2.544) 3.428 5.047 ( 4.399 0.000 2.551) 5.085 5.077 ( 2.826 0.000 -1.196) 3.069 5.116 ( 1.712 0.000 -0.661) 1.836 5.143 ( -3.453 0.000 -0.445) 3.482 5.260 ( 2.659 0.000 -0.024) 2.659 5.279 ( 7.482 0.000 1.333) 7.599 5.303 ( 1.524 0.000 -1.955) 2.479 5.325 ( 4.849 0.000 2.721) 5.561 5.361 ( -4.227 0.000 -1.226) 4.401 5.387 ( -4.116 0.000 0.630) 4.163 5.447 ( -4.031 0.000 -6.541) 7.684 5.524 ( -8.764 0.000 -1.793) 8.946 5.615 ( 1.733 0.000 -7.168) 7.375 5.688 ( -4.217 0.000 -5.889) 7.243 5.828 ( 1.948 0.000 -0.404) 1.989 5.855 ( -0.887 0.000 1.144) 1.448 5.886 ( 0.781 0.000 -2.559) 2.675 5.958 ( -4.726 0.000 2.262) 5.239 6.018 ( 1.432 0.000 -5.031) 5.231 6.053 ( -2.321 0.000 -4.372) 4.950 6.172 ( 3.269 0.000 -0.484) 3.304 6.200 ( 0.432 0.000 -3.482) 3.509 6.215 ( 1.703 0.000 -0.731) 1.853 6.241 ( 0.551 0.000 4.176) 4.213 6.267 ( -1.541 0.000 3.891) 4.185 6.299 ( -4.737 0.000 3.726) 6.027 6.314 ( 1.495 0.000 -0.377) 1.542 6.421 ( -6.449 0.000 -1.022) 6.530 6.463 ( 3.278 0.000 -0.643) 3.340 6.491 ( 0.645 0.000 -1.255) 1.411 6.538 ( 4.997 0.000 0.713) 5.048 6.625 ( -2.158 0.000 -2.122) 3.026 6.694 ( 3.937 0.000 0.917) 4.042 6.721 ( -0.645 0.000 -3.017) 3.085 6.748 ( -0.756 0.000 -0.334) 0.826 6.795 ( -5.362 0.000 -2.768) 6.035 6.922 ( 3.353 0.000 0.119) 3.355 6.982 ( -2.314 0.000 -0.694) 2.415 7.034 ( 3.193 0.000 3.118) 4.462 7.130 ( -5.951 0.000 0.068) 5.951 7.215 ( 3.090 0.000 -0.856) 3.206 7.268 ( 1.277 0.000 2.282) 2.615 7.301 ( -5.561 0.000 1.020) 5.653 7.313 ( -1.998 0.000 2.528) 3.222 7.407 ( 4.741 0.000 1.829) 5.082 7.460 ( 5.556 0.000 3.725) 6.689 7.519 ( -5.246 0.000 0.576) 5.278 7.555 ( -1.559 0.000 1.739) 2.336 7.696 ( 5.564 0.000 5.919) 8.124 7.720 ( 4.119 0.000 -1.817) 4.502 7.810 ( -2.379 0.000 5.510) 6.002 7.812 ( -1.316 0.000 -3.205) 3.465 7.833 ( -0.036 0.000 0.000) 0.036 7.868 ( -2.566 0.000 -1.260) 2.859 7.959 ( 1.564 0.000 1.227) 1.988 7.977 ( -1.691 0.000 1.475) 2.244 8.007 ( -4.370 0.000 1.371) 4.580 8.023 ( -3.108 0.000 3.222) 4.477 8.199 ( 0.595 0.000 3.568) 3.617 8.204 ( 3.380 0.000 4.299) 5.469 8.225 ( -1.466 0.000 4.888) 5.103 8.284 ( -4.528 0.000 2.376) 5.113 8.653 ( 7.416 0.000 1.348) 7.537 8.733 ( 3.062 0.000 0.631) 3.126 8.806 ( 6.052 0.000 -2.680) 6.619 8.821 ( -0.445 0.000 -4.830) 4.851 8.862 ( 0.195 0.000 -2.350) 2.358 8.879 ( -1.987 0.000 -3.504) 4.028 8.940 ( 5.418 0.000 0.462) 5.438 9.071 ( -5.888 0.000 -1.998) 6.217 9.261 ( 4.484 0.000 -0.638) 4.530 9.326 ( -1.108 0.000 -3.824) 3.982 9.544 ( 2.669 0.000 0.372) 2.695 9.561 ( 3.640 0.000 -8.542) 9.285 9.584 ( -1.503 0.000 0.638) 1.632 9.626 ( -2.235 0.000 -11.895) 12.103 9.693 ( -0.411 0.000 -2.505) 2.539 9.740 ( -5.237 0.000 -2.646) 5.868 9.802 ( 10.605 0.000 0.054) 10.605 9.847 ( 5.483 0.000 -1.974) 5.827 9.972 ( -6.331 0.000 1.489) 6.504 10.101 ( -16.255 0.000 0.745) 16.272 16.675 ( 0.457 0.000 -1.532) 1.598 16.686 ( -0.647 0.000 -1.483) 1.618 16.767 ( 0.199 0.000 -1.244) 1.260 16.776 ( -0.674 0.000 -1.301) 1.465 16.869 ( 1.591 0.000 -4.466) 4.741 16.874 ( 2.781 0.000 -1.159) 3.013 16.897 ( -1.167 0.000 -4.425) 4.576 16.920 ( -1.836 0.000 -3.146) 3.642 16.960 ( 3.177 0.000 0.133) 3.180 17.025 ( -3.342 0.000 1.043) 3.501 17.052 ( 4.234 0.000 -0.371) 4.250 17.121 ( 0.210 0.000 -0.213) 0.299 17.154 ( 0.152 0.000 -2.112) 2.117 17.167 ( 2.746 0.000 -0.174) 2.752 17.195 ( -1.567 0.000 -2.262) 2.752 17.219 ( 1.898 0.000 2.551) 3.180 17.249 ( -4.417 0.000 0.083) 4.418 17.252 ( -0.579 0.000 2.704) 2.766 17.280 ( 0.151 0.000 2.428) 2.433 17.310 ( -1.945 0.000 2.319) 3.027 17.455 ( 1.999 0.000 3.032) 3.631 17.464 ( 0.781 0.000 2.066) 2.209 17.556 ( -0.561 0.000 4.626) 4.659 17.576 ( -2.024 0.000 3.613) 4.141 21.639 ( 0.157 0.000 0.092) 0.182 21.640 ( 0.050 0.000 0.076) 0.091 21.810 ( 2.291 0.000 -0.037) 2.291 21.857 ( -2.313 0.000 -1.227) 2.618 21.921 ( 0.723 0.000 0.327) 0.794 21.935 ( -0.761 0.000 0.137) 0.774 22.039 ( 2.157 0.000 -0.379) 2.190 22.084 ( -2.318 0.000 -1.194) 2.607 22.219 ( 1.002 0.000 -0.133) 1.011 22.233 ( -0.466 0.000 -0.281) 0.544 22.248 ( 0.832 0.000 -0.769) 1.132 22.258 ( -0.155 0.000 -0.661) 0.679 26.950 ( 1.211 0.000 -0.178) 1.224 26.952 ( 1.052 0.000 -0.155) 1.063 26.960 ( 1.021 0.000 -0.224) 1.045 26.962 ( 0.926 0.000 -0.161) 0.940 26.997 ( -0.980 0.000 0.543) 1.120 27.000 ( -1.160 0.000 0.471) 1.252 27.002 ( -0.681 0.000 0.288) 0.739 27.008 ( -1.152 0.000 0.377) 1.212 27.378 ( 0.744 0.000 0.251) 0.785 27.384 ( 0.612 0.000 0.105) 0.621 27.403 ( -1.730 0.000 0.443) 1.786 27.407 ( -1.665 0.000 0.388) 1.710 36.221 ( 4.073 0.000 7.575) 8.600 36.268 ( 4.274 0.000 6.282) 7.598 36.324 ( -6.491 0.000 13.172) 14.685 36.359 ( -4.826 0.000 9.603) 10.747 36.564 ( 8.341 0.000 0.725) 8.373 36.577 ( 6.571 0.000 0.119) 6.572 36.689 ( -3.745 0.000 3.730) 5.285 36.708 ( -6.628 0.000 0.501) 6.647 36.856 ( 3.107 0.000 1.288) 3.363 36.928 ( -3.108 0.000 0.148) 3.112 37.057 ( 7.955 0.000 -5.846) 9.871 37.131 ( 1.711 0.000 -1.852) 2.522 37.231 ( -5.646 0.000 -2.519) 6.182 37.232 ( -8.467 0.000 -8.927) 12.304 37.302 ( -2.380 0.000 -3.848) 4.524 37.413 ( -11.126 0.000 -6.263) 12.768 37.590 ( 5.192 0.000 3.225) 6.112 37.680 ( -3.642 0.000 0.375) 3.661 38.017 ( 8.070 0.000 3.232) 8.693 38.185 ( -7.996 0.000 -0.858) 8.042 38.947 ( 7.779 0.000 0.888) 7.829 39.034 ( -0.824 0.000 -0.853) 1.186 39.129 ( 10.395 0.000 -0.827) 10.428 39.299 ( -6.971 0.000 -4.712) 8.414 ======================= Grid point 42 (17/36) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 0.000 16.318 17.923) 24.239 0.848 ( 0.000 23.333 18.359) 29.690 1.337 ( 0.000 11.880 42.118) 43.761 1.406 ( 0.000 -0.419 12.796) 12.803 1.467 ( 0.000 -16.583 1.462) 16.647 1.638 ( 0.000 0.518 10.202) 10.215 1.731 ( 0.000 4.711 7.279) 8.671 1.937 ( 0.000 2.470 4.677) 5.289 2.055 ( 0.000 2.031 -3.723) 4.241 2.122 ( 0.000 1.048 -12.006) 12.052 2.150 ( 0.000 3.841 -1.680) 4.193 2.325 ( 0.000 -0.067 -3.719) 3.719 2.369 ( 0.000 6.947 -7.058) 9.904 2.396 ( 0.000 -7.478 1.047) 7.551 2.402 ( 0.000 7.722 3.290) 8.393 2.496 ( 0.000 2.875 0.775) 2.977 2.635 ( 0.000 -2.651 -8.363) 8.773 2.717 ( 0.000 -9.069 -0.745) 9.099 2.735 ( 0.000 -10.120 -5.425) 11.482 2.750 ( 0.000 0.245 3.908) 3.915 2.863 ( 0.000 -7.421 -2.543) 7.845 2.921 ( 0.000 -4.980 0.315) 4.990 2.948 ( 0.000 -0.712 1.922) 2.050 2.973 ( 0.000 4.049 -1.725) 4.401 2.979 ( 0.000 -4.454 -1.170) 4.606 3.139 ( 0.000 9.886 2.182) 10.124 3.143 ( 0.000 -0.281 1.363) 1.391 3.204 ( 0.000 -2.289 -0.781) 2.418 3.243 ( 0.000 -1.515 -1.675) 2.259 3.268 ( 0.000 2.540 1.601) 3.003 3.288 ( 0.000 -8.939 3.340) 9.543 3.344 ( 0.000 1.691 0.258) 1.710 3.345 ( 0.000 -0.411 3.832) 3.854 3.435 ( 0.000 -4.133 -3.688) 5.540 3.514 ( 0.000 5.840 -2.268) 6.265 3.514 ( 0.000 2.340 0.004) 2.340 3.602 ( 0.000 1.462 -7.096) 7.245 3.623 ( 0.000 5.284 -4.265) 6.790 3.659 ( 0.000 2.425 -3.390) 4.168 3.750 ( 0.000 -0.996 -0.794) 1.274 3.861 ( 0.000 -2.839 -3.913) 4.835 3.897 ( 0.000 -5.853 -1.454) 6.031 3.924 ( 0.000 -1.306 5.041) 5.208 4.000 ( 0.000 -0.852 1.546) 1.765 4.035 ( 0.000 0.516 6.478) 6.499 4.050 ( 0.000 2.035 -1.364) 2.450 4.095 ( 0.000 -1.128 -0.567) 1.262 4.203 ( 0.000 6.220 1.440) 6.385 4.256 ( 0.000 3.689 -2.468) 4.439 4.256 ( 0.000 -5.511 5.288) 7.638 4.360 ( 0.000 -6.276 2.403) 6.720 4.433 ( 0.000 -5.064 -9.379) 10.658 4.438 ( 0.000 11.081 6.189) 12.692 4.584 ( 0.000 0.738 0.725) 1.035 4.586 ( 0.000 6.237 -7.637) 9.860 4.702 ( 0.000 3.551 1.089) 3.714 4.717 ( 0.000 3.106 1.850) 3.615 4.819 ( 0.000 -1.204 4.233) 4.401 4.868 ( 0.000 -2.220 -2.361) 3.241 4.930 ( 0.000 -3.553 -5.176) 6.278 5.000 ( 0.000 -0.152 -5.105) 5.107 5.020 ( 0.000 -8.050 -4.993) 9.473 5.067 ( 0.000 -3.891 -2.947) 4.881 5.099 ( 0.000 -2.818 -4.387) 5.214 5.164 ( 0.000 4.414 2.651) 5.149 5.208 ( 0.000 1.703 1.076) 2.015 5.263 ( 0.000 3.345 1.948) 3.871 5.373 ( 0.000 1.391 -0.209) 1.407 5.427 ( 0.000 2.011 1.230) 2.357 5.497 ( 0.000 3.976 1.768) 4.351 5.533 ( 0.000 1.647 3.584) 3.944 5.628 ( 0.000 4.495 1.102) 4.628 5.651 ( 0.000 -4.664 -0.174) 4.667 5.693 ( 0.000 -3.208 -4.902) 5.859 5.701 ( 0.000 -0.928 3.826) 3.936 5.727 ( 0.000 -1.130 2.209) 2.481 5.913 ( 0.000 1.243 -3.094) 3.334 5.963 ( 0.000 -0.498 -4.393) 4.421 5.965 ( 0.000 0.879 -4.310) 4.399 5.993 ( 0.000 -0.034 -3.817) 3.817 6.017 ( 0.000 6.582 -4.112) 7.761 6.063 ( 0.000 1.842 3.227) 3.716 6.126 ( 0.000 5.182 -0.245) 5.188 6.193 ( 0.000 2.293 -2.021) 3.056 6.215 ( 0.000 -1.934 1.793) 2.637 6.223 ( 0.000 -3.978 6.283) 7.437 6.266 ( 0.000 0.476 3.536) 3.568 6.369 ( 0.000 1.454 4.959) 5.168 6.396 ( 0.000 -0.026 -1.365) 1.365 6.468 ( 0.000 5.035 -0.272) 5.043 6.496 ( 0.000 3.652 -3.751) 5.235 6.578 ( 0.000 -2.180 -1.157) 2.468 6.589 ( 0.000 -5.239 4.235) 6.737 6.629 ( 0.000 1.989 0.371) 2.023 6.638 ( 0.000 -1.811 -1.699) 2.483 6.694 ( 0.000 6.452 1.331) 6.588 6.720 ( 0.000 0.395 0.860) 0.947 6.854 ( 0.000 1.210 -3.157) 3.381 6.964 ( 0.000 -3.709 -2.394) 4.415 7.044 ( 0.000 -2.956 -1.088) 3.149 7.089 ( 0.000 -1.376 0.012) 1.376 7.093 ( 0.000 1.913 -4.487) 4.877 7.210 ( 0.000 3.161 3.828) 4.964 7.228 ( 0.000 3.801 -9.740) 10.455 7.341 ( 0.000 -0.307 0.155) 0.344 7.381 ( 0.000 0.500 -2.262) 2.316 7.440 ( 0.000 4.365 0.281) 4.374 7.471 ( 0.000 0.001 5.010) 5.010 7.472 ( 0.000 4.320 2.736) 5.113 7.626 ( 0.000 -4.611 1.342) 4.802 7.652 ( 0.000 -4.253 6.445) 7.722 7.742 ( 0.000 0.260 -1.755) 1.774 7.750 ( 0.000 0.378 -1.081) 1.146 7.796 ( 0.000 -3.177 -4.628) 5.614 7.870 ( 0.000 3.199 -1.976) 3.760 7.899 ( 0.000 6.996 -0.408) 7.008 7.920 ( 0.000 5.168 0.549) 5.197 8.040 ( 0.000 -1.144 4.625) 4.765 8.044 ( 0.000 -1.794 4.460) 4.807 8.201 ( 0.000 -4.017 0.392) 4.036 8.224 ( 0.000 1.139 2.415) 2.670 8.274 ( 0.000 -1.575 -1.023) 1.878 8.307 ( 0.000 2.656 -3.928) 4.742 8.372 ( 0.000 3.447 -4.832) 5.935 8.482 ( 0.000 -3.514 -0.784) 3.600 8.518 ( 0.000 3.163 4.351) 5.379 8.558 ( 0.000 -3.640 -4.496) 5.784 8.586 ( 0.000 -0.032 1.406) 1.406 8.652 ( 0.000 -2.578 3.063) 4.003 8.695 ( 0.000 -5.743 -2.580) 6.296 8.851 ( 0.000 -0.324 0.743) 0.811 8.891 ( 0.000 1.151 -6.383) 6.486 9.154 ( 0.000 2.300 1.530) 2.763 9.294 ( 0.000 4.942 2.479) 5.529 9.317 ( 0.000 -5.961 0.610) 5.992 9.477 ( 0.000 -2.215 -4.126) 4.683 9.573 ( 0.000 5.302 -1.472) 5.503 9.599 ( 0.000 3.320 -9.404) 9.973 9.629 ( 0.000 -0.099 -6.972) 6.973 9.745 ( 0.000 -2.939 -5.042) 5.836 9.808 ( 0.000 5.451 1.614) 5.685 10.037 ( 0.000 -4.855 -1.751) 5.161 10.344 ( 0.000 7.626 11.562) 13.850 10.864 ( 0.000 -22.530 8.305) 24.012 16.679 ( 0.000 1.397 -2.008) 2.446 16.713 ( 0.000 0.060 -0.008) 0.061 16.717 ( 0.000 -0.080 -0.183) 0.200 16.736 ( 0.000 -0.244 -2.110) 2.124 16.761 ( 0.000 -1.290 -6.000) 6.138 16.778 ( 0.000 -3.543 -2.797) 4.514 16.832 ( 0.000 0.883 -1.859) 2.058 16.857 ( 0.000 -0.281 -1.329) 1.358 16.968 ( 0.000 3.157 -2.875) 4.270 17.010 ( 0.000 0.450 0.613) 0.761 17.020 ( 0.000 -0.426 -2.847) 2.879 17.074 ( 0.000 -3.166 -0.047) 3.167 17.173 ( 0.000 1.761 1.224) 2.144 17.191 ( 0.000 0.052 1.787) 1.788 17.202 ( 0.000 -0.163 3.015) 3.019 17.228 ( 0.000 1.144 2.584) 2.826 17.277 ( 0.000 -3.086 1.322) 3.357 17.315 ( 0.000 -3.066 1.402) 3.371 17.346 ( 0.000 -0.252 0.949) 0.982 17.362 ( 0.000 -0.826 -0.983) 1.284 17.437 ( 0.000 3.506 2.821) 4.500 17.470 ( 0.000 2.483 1.218) 2.765 17.589 ( 0.000 -0.539 5.936) 5.961 17.621 ( 0.000 -1.297 3.612) 3.838 21.636 ( 0.000 1.268 0.193) 1.282 21.651 ( 0.000 1.377 -0.258) 1.401 21.716 ( 0.000 -2.597 0.739) 2.700 21.728 ( 0.000 -2.045 0.008) 2.045 21.911 ( 0.000 1.133 0.201) 1.151 21.942 ( 0.000 -0.347 -0.621) 0.712 22.137 ( 0.000 7.632 -8.033) 11.081 22.150 ( 0.000 1.486 -1.524) 2.129 22.186 ( 0.000 0.570 0.166) 0.594 22.203 ( 0.000 0.789 -1.652) 1.831 22.237 ( 0.000 0.221 -0.533) 0.577 22.244 ( 0.000 -0.119 -0.644) 0.655 26.896 ( 0.000 0.317 -1.727) 1.755 26.900 ( 0.000 0.163 -1.592) 1.600 26.907 ( 0.000 -0.143 -1.255) 1.263 26.911 ( 0.000 -0.347 -1.586) 1.623 27.035 ( 0.000 -0.475 1.531) 1.603 27.037 ( 0.000 -0.536 1.610) 1.696 27.061 ( 0.000 0.466 2.161) 2.211 27.061 ( 0.000 0.492 2.195) 2.249 27.391 ( 0.000 -0.123 -0.505) 0.520 27.391 ( 0.000 -0.205 -0.421) 0.468 27.496 ( 0.000 0.293 0.700) 0.759 27.515 ( 0.000 -0.457 0.139) 0.478 36.126 ( 0.000 -0.146 1.872) 1.877 36.126 ( 0.000 -0.129 2.376) 2.379 36.263 ( 0.000 1.035 -0.260) 1.067 36.308 ( 0.000 -0.781 -1.460) 1.656 36.575 ( 0.000 1.330 18.363) 18.411 36.726 ( 0.000 -0.553 2.053) 2.127 36.743 ( 0.000 -1.298 2.709) 3.004 36.847 ( 0.000 -16.777 18.629) 25.070 37.011 ( 0.000 0.715 -1.287) 1.472 37.043 ( 0.000 -0.635 -0.936) 1.131 37.072 ( 0.000 3.473 5.532) 6.532 37.123 ( 0.000 4.739 2.784) 5.496 37.181 ( 0.000 -6.345 11.023) 12.719 37.473 ( 0.000 -11.054 -2.187) 11.268 37.722 ( 0.000 2.190 -7.338) 7.657 37.785 ( 0.000 -0.314 -11.751) 11.756 38.096 ( 0.000 1.273 1.163) 1.724 38.098 ( 0.000 0.171 1.454) 1.464 38.172 ( 0.000 0.381 -0.592) 0.704 38.186 ( 0.000 -0.271 -0.774) 0.820 38.218 ( 0.000 10.938 4.202) 11.718 38.537 ( 0.000 -4.821 9.515) 10.667 39.000 ( 0.000 -2.673 -12.413) 12.697 39.039 ( 0.000 -9.272 -2.508) 9.605 ======================= Grid point 43 (18/36) ======================= q-point: ( 0.14 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 14.603 12.704 16.024) 25.128 0.980 ( 12.396 19.426 15.263) 27.640 1.444 ( 4.882 -2.718 12.868) 14.028 1.549 ( 14.470 1.771 19.868) 24.643 1.609 ( 13.844 -3.813 7.354) 16.132 1.719 ( 7.888 0.239 10.559) 13.182 1.791 ( 6.987 2.568 6.039) 9.585 2.014 ( 7.475 2.079 4.646) 9.044 2.100 ( 2.846 2.828 -2.837) 4.914 2.155 ( 4.306 0.140 -10.115) 10.995 2.244 ( 8.881 3.766 -3.181) 10.158 2.299 ( -2.249 7.541 -0.409) 7.880 2.373 ( 1.572 -0.700 2.009) 2.645 2.428 ( 2.826 -5.080 -0.646) 5.849 2.483 ( 3.600 5.541 -1.841) 6.859 2.521 ( 5.578 1.988 -2.537) 6.442 2.604 ( -2.546 -3.996 -6.445) 7.999 2.657 ( -4.146 -2.653 -2.077) 5.343 2.719 ( 0.239 -4.271 0.150) 4.281 2.762 ( -0.919 -3.772 2.599) 4.672 2.817 ( -4.318 -4.153 2.448) 6.472 2.877 ( 0.353 -0.607 -6.143) 6.183 2.977 ( -1.838 5.522 -1.715) 6.067 3.008 ( 2.829 -5.149 4.189) 7.216 3.040 ( 3.641 -2.512 -0.725) 4.483 3.090 ( -0.996 -0.697 -3.562) 3.764 3.138 ( -1.052 2.574 0.961) 2.942 3.238 ( 1.376 -2.003 -0.521) 2.485 3.260 ( 0.671 -1.719 0.214) 1.858 3.292 ( 1.515 -5.648 2.987) 6.567 3.298 ( 4.275 0.410 0.263) 4.302 3.320 ( 0.868 0.610 -0.844) 1.355 3.416 ( 1.204 -4.511 0.903) 4.755 3.421 ( 2.193 0.499 -3.691) 4.322 3.509 ( -2.113 3.450 -0.977) 4.162 3.602 ( 6.856 1.563 0.157) 7.033 3.637 ( 5.607 3.549 -2.790) 7.198 3.687 ( 3.496 2.125 -5.803) 7.100 3.709 ( 4.656 1.507 -0.795) 4.959 3.808 ( 2.893 -1.274 -5.067) 5.973 3.853 ( -1.213 -3.876 1.372) 4.287 3.888 ( -0.540 -4.595 -0.880) 4.709 3.899 ( -1.021 -1.958 1.828) 2.867 3.987 ( -0.662 0.059 -0.233) 0.704 4.006 ( -1.454 0.683 1.768) 2.389 4.028 ( -0.685 3.017 5.593) 6.392 4.103 ( -2.860 2.812 -2.153) 4.552 4.227 ( 6.287 0.745 1.862) 6.599 4.259 ( 4.046 1.295 -0.248) 4.255 4.316 ( 1.605 -0.198 3.564) 3.914 4.388 ( -4.131 -0.103 1.720) 4.475 4.415 ( -0.878 4.057 -3.277) 5.288 4.425 ( 3.913 -2.704 3.689) 6.019 4.531 ( -1.775 -0.762 3.991) 4.434 4.616 ( 0.519 0.415 -6.362) 6.397 4.716 ( 2.669 6.532 -1.174) 7.153 4.751 ( 1.390 -2.102 -1.169) 2.778 4.796 ( -2.577 3.004 -0.144) 3.960 4.885 ( -2.341 -1.667 -0.977) 3.035 4.920 ( 4.144 -1.306 -2.396) 4.962 4.989 ( -3.235 -0.764 -0.695) 3.396 5.004 ( -1.004 -2.890 -3.873) 4.936 5.059 ( -0.232 -6.480 -1.120) 6.580 5.102 ( -0.064 -1.384 -0.923) 1.665 5.120 ( -2.953 1.483 -1.785) 3.756 5.182 ( -2.785 0.789 1.935) 3.482 5.250 ( -1.189 2.296 2.136) 3.354 5.319 ( -5.425 -1.460 3.397) 6.565 5.394 ( -2.452 4.829 -0.226) 5.421 5.436 ( -3.035 7.340 -0.847) 7.988 5.519 ( -1.308 0.349 1.170) 1.789 5.593 ( -4.459 0.041 -4.077) 6.042 5.610 ( -5.078 1.596 0.466) 5.343 5.660 ( -2.055 -1.469 1.708) 3.049 5.704 ( 0.478 -5.228 -1.745) 5.532 5.747 ( 0.234 -1.807 0.936) 2.048 5.888 ( -0.763 3.982 -2.217) 4.621 5.947 ( -0.980 2.893 1.682) 3.487 5.970 ( -0.109 1.542 -1.269) 2.000 5.989 ( -0.758 2.967 -2.356) 3.864 6.014 ( -1.301 0.859 -2.365) 2.833 6.039 ( -1.962 1.964 1.794) 3.305 6.073 ( 2.072 1.508 -2.490) 3.573 6.159 ( -2.189 -2.453 -0.135) 3.290 6.198 ( -0.771 -2.278 -0.909) 2.571 6.277 ( -1.789 -3.065 3.733) 5.151 6.317 ( 3.299 0.819 2.061) 3.976 6.352 ( 1.481 3.669 3.644) 5.380 6.390 ( -4.605 0.231 0.520) 4.640 6.414 ( 0.139 1.962 -1.458) 2.448 6.516 ( -1.832 -1.663 0.468) 2.518 6.543 ( -0.769 -0.262 -2.243) 2.386 6.572 ( -3.346 1.005 0.311) 3.508 6.630 ( 0.757 -3.110 1.964) 3.755 6.658 ( 1.483 1.210 0.647) 2.021 6.721 ( 0.735 1.620 2.138) 2.781 6.733 ( 3.320 1.325 1.904) 4.051 6.852 ( -1.133 0.793 -0.823) 1.609 6.944 ( -6.109 3.479 0.508) 7.048 6.974 ( 0.533 -2.964 -1.043) 3.188 7.072 ( 0.812 -0.692 1.411) 1.769 7.123 ( -5.374 0.613 -4.591) 7.094 7.163 ( 3.620 0.903 -0.379) 3.750 7.274 ( 4.480 1.213 1.812) 4.983 7.314 ( -2.847 -1.030 -0.516) 3.071 7.370 ( 0.051 -0.401 -2.484) 2.517 7.419 ( -1.310 1.000 1.860) 2.485 7.445 ( -1.330 -1.097 3.223) 3.656 7.577 ( 1.216 0.319 1.025) 1.622 7.602 ( -3.570 -1.407 4.300) 5.763 7.648 ( 2.562 -1.578 -0.178) 3.015 7.724 ( -0.284 0.785 -1.206) 1.467 7.770 ( -1.455 -0.880 -4.873) 5.161 7.795 ( 1.458 -2.191 -1.610) 3.085 7.836 ( -1.862 5.045 -1.311) 5.535 7.902 ( 0.161 4.051 -2.105) 4.569 7.932 ( 1.907 2.486 -1.093) 3.319 8.023 ( -0.096 0.434 5.150) 5.170 8.091 ( 0.321 -3.213 5.555) 6.425 8.161 ( -3.585 -2.856 0.868) 4.665 8.238 ( -0.192 3.212 1.116) 3.405 8.331 ( 4.906 0.230 -0.665) 4.956 8.347 ( -4.304 -2.223 -1.243) 5.001 8.375 ( 7.804 0.866 -1.862) 8.070 8.448 ( -6.130 0.322 1.448) 6.307 8.491 ( 0.870 1.011 0.317) 1.371 8.504 ( -5.550 -1.404 2.125) 6.107 8.642 ( 7.180 0.798 -2.325) 7.589 8.672 ( 7.373 -2.034 -3.366) 8.356 8.729 ( 3.036 -6.016 3.185) 7.453 8.942 ( 5.168 3.646 -8.021) 10.215 9.015 ( 7.056 -0.663 -4.126) 8.201 9.196 ( 3.342 1.327 0.955) 3.720 9.281 ( -0.484 4.060 1.677) 4.420 9.346 ( 2.786 -4.598 1.651) 5.624 9.482 ( 0.529 -2.361 -3.797) 4.502 9.580 ( 0.646 3.641 -1.734) 4.084 9.645 ( 2.359 0.016 -9.341) 9.634 9.659 ( 3.345 0.522 -6.701) 7.508 9.733 ( -1.380 -1.586 -3.922) 4.450 9.781 ( -1.979 4.848 -2.346) 5.737 9.981 ( -5.309 -4.234 -2.843) 7.362 10.289 ( -5.304 6.639 10.458) 13.475 10.685 ( -14.484 -13.815 8.859) 21.888 16.677 ( -0.065 1.247 -1.946) 2.312 16.722 ( -0.784 0.037 -2.096) 2.238 16.736 ( 1.385 0.033 0.101) 1.390 16.743 ( 2.233 -0.698 -0.426) 2.378 16.768 ( 0.038 -2.630 -3.771) 4.597 16.778 ( 1.086 -2.374 -2.013) 3.296 16.861 ( 2.605 1.032 -3.132) 4.202 16.883 ( 2.111 0.025 -3.239) 3.867 16.965 ( -0.405 3.042 -3.278) 4.491 17.005 ( -0.717 0.167 -1.774) 1.920 17.017 ( 0.331 0.073 -1.191) 1.238 17.071 ( 0.213 -2.317 -0.464) 2.373 17.166 ( -2.089 0.599 1.732) 2.780 17.181 ( 0.711 1.537 1.518) 2.274 17.205 ( -0.131 -0.381 2.199) 2.236 17.229 ( 0.055 0.698 2.479) 2.576 17.267 ( -1.633 -1.538 1.265) 2.575 17.294 ( 0.165 -3.527 1.975) 4.046 17.336 ( -1.224 -0.259 1.762) 2.161 17.367 ( -0.725 -0.927 -0.263) 1.206 17.434 ( -0.140 3.333 2.870) 4.400 17.469 ( -0.096 2.053 1.159) 2.360 17.584 ( -0.288 -0.198 5.425) 5.437 17.617 ( -0.406 -1.197 3.504) 3.725 21.640 ( 0.330 1.335 0.184) 1.388 21.652 ( 0.136 1.623 -0.125) 1.634 21.718 ( 0.701 -2.119 0.548) 2.298 21.772 ( 2.383 -5.409 -0.974) 5.990 21.916 ( 0.516 1.380 0.269) 1.497 21.954 ( 1.168 -0.428 -0.571) 1.369 22.103 ( -2.756 5.893 -4.511) 7.917 22.152 ( -0.584 0.826 -2.941) 3.110 22.188 ( 0.419 0.725 0.432) 0.942 22.206 ( 0.703 0.879 -1.063) 1.548 22.240 ( 0.213 0.328 -0.495) 0.631 22.249 ( 0.341 -0.087 -0.655) 0.743 26.904 ( 0.733 0.263 -1.495) 1.685 26.907 ( 0.698 0.111 -1.383) 1.553 26.915 ( 0.821 -0.096 -1.219) 1.473 26.919 ( 0.744 -0.197 -1.398) 1.596 27.028 ( -0.662 -0.433 1.296) 1.518 27.031 ( -0.603 -0.546 1.420) 1.637 27.054 ( -0.726 0.565 1.986) 2.189 27.056 ( -0.550 0.438 1.892) 2.018 27.383 ( -0.566 -0.032 -0.341) 0.661 27.387 ( -0.415 -0.227 -0.407) 0.623 27.477 ( -1.661 0.091 0.806) 1.849 27.492 ( -2.035 -0.455 0.327) 2.111 36.133 ( 0.797 0.128 2.799) 2.914 36.142 ( 1.568 -0.288 2.351) 2.841 36.297 ( 3.451 0.925 -0.189) 3.578 36.343 ( 3.437 -0.929 -1.225) 3.766 36.542 ( -3.122 0.932 17.384) 17.687 36.675 ( -8.481 -4.042 16.923) 19.356 36.727 ( -0.327 -1.712 4.204) 4.551 36.780 ( -2.921 -7.675 8.971) 12.162 36.945 ( -2.425 0.973 -0.071) 2.614 36.990 ( -3.635 -1.294 1.360) 4.091 37.056 ( -4.881 6.505 0.909) 8.183 37.197 ( 5.808 0.254 2.316) 6.258 37.209 ( 2.148 -0.750 4.698) 5.220 37.374 ( -6.663 -8.576 -3.261) 11.339 37.620 ( -3.313 8.233 -7.238) 11.452 37.685 ( -9.938 -0.466 -3.090) 10.418 37.879 ( -13.029 3.643 -0.284) 13.532 38.000 ( -6.567 0.429 3.253) 7.341 38.036 ( -9.357 6.967 -2.401) 11.910 38.274 ( 4.160 -2.771 -6.138) 7.916 38.473 ( 14.880 2.470 3.265) 15.433 38.608 ( 9.302 -2.248 9.152) 13.241 38.944 ( 3.012 2.093 -5.755) 6.825 39.280 ( 7.395 -14.388 -11.465) 19.828 ======================= Grid point 44 (19/36) ======================= q-point: ( 0.29 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 15.647 9.609 8.239) 20.125 1.289 ( 17.616 12.343 8.653) 23.185 1.576 ( 7.962 3.631 7.402) 11.462 1.727 ( 7.158 -0.933 3.480) 8.014 1.859 ( 9.724 -2.683 4.103) 10.889 1.985 ( 13.056 -0.335 10.650) 16.852 1.996 ( 12.586 -2.245 1.057) 12.828 2.112 ( -1.174 2.738 0.279) 2.992 2.172 ( 3.982 -0.098 1.998) 4.456 2.220 ( -1.666 -1.852 -8.162) 8.534 2.311 ( 3.152 5.288 6.458) 8.922 2.337 ( -2.008 -3.054 1.583) 3.983 2.420 ( 1.334 1.632 -3.696) 4.255 2.481 ( 2.910 -1.036 -2.568) 4.017 2.511 ( -0.213 1.789 -0.916) 2.021 2.565 ( -0.820 -1.215 -3.280) 3.593 2.641 ( 3.883 1.156 1.073) 4.191 2.675 ( 5.265 -3.257 -4.105) 7.428 2.700 ( -2.227 -2.974 1.653) 4.066 2.793 ( 5.149 1.094 0.970) 5.353 2.829 ( 6.512 2.722 5.323) 8.840 2.852 ( -3.425 3.258 0.733) 4.784 2.951 ( 3.911 1.705 -1.709) 4.596 3.025 ( -0.427 -0.349 1.918) 1.995 3.079 ( -2.105 0.022 0.204) 2.115 3.113 ( 1.328 -3.016 -1.217) 3.513 3.148 ( 4.864 -6.989 -4.010) 9.412 3.216 ( -1.705 3.494 -3.189) 5.029 3.264 ( 1.246 1.515 -0.772) 2.108 3.350 ( 1.461 -3.144 -5.248) 6.290 3.387 ( 4.582 -2.494 0.122) 5.218 3.391 ( -1.897 -0.026 -1.271) 2.284 3.420 ( 6.064 -0.158 -0.752) 6.112 3.496 ( 2.608 3.400 0.262) 4.293 3.524 ( 6.562 0.464 -0.814) 6.628 3.676 ( -0.316 -0.666 -2.614) 2.716 3.721 ( -3.175 1.699 2.403) 4.329 3.745 ( -1.401 0.277 0.478) 1.506 3.759 ( 5.248 -3.516 -1.871) 6.588 3.820 ( -0.411 -2.676 -1.687) 3.190 3.838 ( 3.691 -0.168 -0.383) 3.715 3.904 ( 2.420 -1.698 -1.157) 3.175 3.943 ( 0.208 0.450 0.467) 0.681 3.958 ( 5.718 -1.060 1.006) 5.902 4.033 ( 1.159 -0.917 0.085) 1.480 4.074 ( 4.167 2.301 0.137) 4.762 4.108 ( 4.417 0.743 2.616) 5.188 4.285 ( -3.383 -4.842 -0.622) 5.939 4.322 ( 0.762 -0.133 6.498) 6.544 4.359 ( 0.739 1.582 2.976) 3.451 4.377 ( 3.142 5.112 1.383) 6.158 4.401 ( 5.529 1.096 -3.612) 6.694 4.487 ( 0.502 -0.084 0.845) 0.986 4.550 ( 3.410 0.761 2.324) 4.196 4.629 ( -0.194 0.858 1.677) 1.894 4.712 ( -2.609 4.306 2.803) 5.762 4.736 ( 1.539 1.386 2.247) 3.056 4.790 ( -3.760 -4.875 -3.938) 7.308 4.865 ( 2.546 -1.345 -1.151) 3.101 4.920 ( -1.400 -5.043 -1.025) 5.333 4.948 ( -2.653 -3.552 -0.614) 4.476 5.001 ( -5.161 3.789 3.262) 7.185 5.034 ( -2.404 -3.369 1.204) 4.310 5.075 ( -5.289 -1.135 2.711) 6.051 5.085 ( 3.022 0.211 1.109) 3.226 5.145 ( 1.166 -1.408 1.038) 2.102 5.188 ( -3.930 0.708 4.026) 5.670 5.243 ( 0.467 -1.177 0.522) 1.370 5.347 ( -3.206 3.484 -3.248) 5.742 5.368 ( -4.800 4.126 -4.555) 7.798 5.466 ( -4.808 4.135 -0.737) 6.384 5.496 ( -2.921 -0.779 -2.859) 4.161 5.522 ( -3.858 0.478 -0.098) 3.889 5.602 ( -2.118 -0.467 -3.842) 4.412 5.663 ( -3.717 -3.158 -2.730) 5.590 5.715 ( -4.138 -3.483 -1.024) 5.505 5.871 ( -0.866 5.521 -3.411) 6.547 5.916 ( -1.246 4.862 1.841) 5.346 5.964 ( -0.343 0.604 -4.170) 4.228 5.995 ( -2.970 2.249 -1.213) 3.918 6.011 ( 1.011 0.399 3.367) 3.538 6.050 ( 4.517 -0.735 1.376) 4.779 6.090 ( -1.572 -1.227 -1.493) 2.491 6.150 ( 0.642 -0.336 -3.710) 3.780 6.194 ( 3.130 -4.138 2.230) 5.648 6.238 ( -1.634 -3.277 3.127) 4.815 6.284 ( -2.626 1.817 -1.014) 3.350 6.353 ( -1.683 -0.897 0.470) 1.964 6.378 ( -1.578 2.370 1.220) 3.097 6.418 ( -0.254 -1.182 1.138) 1.660 6.472 ( 0.242 1.305 1.190) 1.782 6.497 ( -1.129 2.748 -0.349) 2.991 6.528 ( -3.019 -0.353 -0.239) 3.049 6.639 ( 0.929 0.603 1.002) 1.494 6.710 ( 3.211 -2.826 -1.517) 4.538 6.726 ( 0.192 -1.313 0.481) 1.411 6.765 ( -6.493 3.717 -0.815) 7.526 6.800 ( 1.167 -0.518 1.213) 1.761 6.899 ( 0.643 3.094 1.657) 3.568 6.980 ( -0.118 -2.293 -1.048) 2.524 7.042 ( -1.444 1.797 -0.661) 2.398 7.128 ( 3.960 -1.397 2.131) 4.709 7.213 ( -3.411 -2.290 -1.221) 4.286 7.264 ( 2.219 -1.301 0.198) 2.580 7.328 ( 0.773 2.414 1.562) 2.977 7.375 ( -3.314 0.393 1.824) 3.803 7.405 ( 0.452 -0.553 -0.479) 0.860 7.434 ( 3.377 -1.305 0.772) 3.702 7.505 ( -4.414 2.901 3.983) 6.615 7.562 ( -0.935 -1.934 3.686) 4.267 7.681 ( -1.167 1.113 -1.369) 2.116 7.729 ( 0.594 2.141 0.034) 2.222 7.769 ( 2.880 0.005 -0.984) 3.044 7.814 ( 0.190 1.162 -0.321) 1.220 7.830 ( 1.131 0.108 -0.967) 1.492 7.888 ( -1.399 0.242 -2.156) 2.582 7.964 ( -0.065 -0.155 1.339) 1.349 8.027 ( 0.106 0.691 4.591) 4.644 8.044 ( -4.078 -2.723 3.668) 6.124 8.127 ( -0.506 -3.239 2.688) 4.239 8.181 ( -7.135 2.019 0.536) 7.435 8.236 ( -2.382 0.585 1.708) 2.989 8.285 ( -4.896 1.658 4.665) 6.963 8.361 ( -5.146 -1.739 2.663) 6.049 8.504 ( 8.831 1.578 0.042) 8.971 8.575 ( 9.234 -1.417 -1.471) 9.457 8.635 ( 8.426 0.249 0.114) 8.430 8.764 ( 3.917 -4.649 -1.608) 6.288 8.798 ( 4.388 -0.044 -3.290) 5.485 8.822 ( 6.282 -0.548 -2.716) 6.865 8.997 ( 0.300 5.853 -4.922) 7.653 9.106 ( 1.863 -0.955 -4.568) 5.025 9.235 ( 1.093 3.147 1.362) 3.599 9.306 ( 2.977 1.023 -2.681) 4.134 9.416 ( 3.669 -3.927 1.424) 5.560 9.500 ( 1.270 -2.953 -2.624) 4.149 9.598 ( 0.798 1.366 -3.156) 3.530 9.660 ( -0.689 0.532 -1.782) 1.983 9.690 ( -2.134 -0.185 -6.498) 6.842 9.729 ( 3.721 -0.350 -2.894) 4.727 9.763 ( -0.393 2.284 -7.664) 8.007 9.861 ( -5.304 -1.846 -5.305) 7.725 10.151 ( -8.118 4.474 7.073) 11.659 10.382 ( -15.480 -6.151 4.882) 17.358 16.678 ( 0.150 1.054 -1.778) 2.072 16.705 ( -0.729 0.505 -1.733) 1.947 16.748 ( -0.015 -1.675 -1.379) 2.170 16.759 ( -0.308 -2.683 -2.015) 3.370 16.804 ( 3.214 -0.472 0.262) 3.259 16.821 ( 2.498 -1.027 -1.587) 3.133 16.912 ( 1.371 1.127 -3.952) 4.333 16.930 ( 1.818 0.278 -4.400) 4.769 16.957 ( 0.278 2.816 -2.877) 4.035 16.996 ( 1.006 0.683 -2.306) 2.607 17.046 ( 2.595 -0.410 -0.912) 2.781 17.087 ( 0.839 -1.729 -1.295) 2.318 17.116 ( -2.096 0.603 1.723) 2.779 17.180 ( -1.788 -2.254 1.054) 3.064 17.205 ( 0.832 1.642 0.606) 1.937 17.226 ( -0.456 1.013 2.413) 2.657 17.252 ( 0.288 0.460 2.062) 2.133 17.300 ( -1.527 -0.772 1.743) 2.442 17.306 ( -0.312 -2.461 2.095) 3.247 17.326 ( -3.028 -0.542 0.533) 3.121 17.440 ( 1.011 2.606 3.309) 4.331 17.468 ( 0.187 1.442 1.628) 2.183 17.573 ( -1.008 -0.231 4.638) 4.752 17.601 ( -1.292 -1.029 3.350) 3.735 21.648 ( 0.434 1.527 0.154) 1.595 21.656 ( 0.189 1.942 -0.023) 1.951 21.739 ( 1.313 -2.743 0.420) 3.070 21.797 ( 0.292 -5.928 -0.935) 6.008 21.932 ( 1.013 2.006 0.319) 2.270 21.984 ( 1.692 -0.384 -0.674) 1.861 22.046 ( -2.648 4.316 -1.404) 5.255 22.122 ( -2.182 -0.617 -2.066) 3.068 22.206 ( 1.119 1.022 -0.076) 1.517 22.227 ( 1.131 0.162 -0.855) 1.427 22.243 ( 0.067 0.445 -0.398) 0.600 22.255 ( 0.220 -0.155 -0.565) 0.626 26.924 ( 1.193 0.075 -0.946) 1.525 26.926 ( 1.147 -0.086 -0.919) 1.472 26.937 ( 1.309 0.089 -0.800) 1.537 26.939 ( 1.274 0.010 -0.849) 1.531 27.011 ( -0.999 -0.390 0.779) 1.325 27.014 ( -1.030 -0.528 0.908) 1.471 27.034 ( -1.202 0.606 1.430) 1.964 27.039 ( -1.172 0.387 1.320) 1.807 27.374 ( -0.244 0.047 -0.079) 0.260 27.380 ( -0.237 -0.205 -0.193) 0.368 27.439 ( -2.031 -0.123 0.672) 2.142 27.446 ( -2.399 -0.329 0.521) 2.477 36.163 ( 2.326 0.462 4.262) 4.877 36.187 ( 2.996 -0.614 3.852) 4.918 36.391 ( 4.333 -0.376 3.184) 5.390 36.427 ( 2.408 -1.783 4.379) 5.306 36.470 ( -3.034 0.870 11.781) 12.196 36.493 ( -4.425 -0.094 13.506) 14.212 36.719 ( -0.595 -0.757 4.262) 4.369 36.753 ( -1.035 -3.052 2.577) 4.127 36.936 ( -1.445 3.734 -1.555) 4.295 36.954 ( -0.296 0.074 -0.395) 0.499 36.956 ( -0.767 3.523 -1.048) 3.755 37.186 ( -3.951 1.444 0.241) 4.213 37.237 ( -4.702 -6.985 -5.012) 9.799 37.299 ( -0.838 -3.921 -1.280) 4.209 37.483 ( -9.591 3.296 -4.753) 11.200 37.590 ( -1.389 3.993 -2.104) 4.722 37.659 ( -9.646 1.570 -2.270) 10.033 37.842 ( -4.591 1.676 0.332) 4.899 37.924 ( -2.690 5.914 2.578) 6.990 38.260 ( -4.433 -5.524 -4.071) 8.169 38.757 ( 13.172 2.177 2.254) 13.540 38.860 ( 13.690 -2.091 3.346) 14.247 39.030 ( 4.061 3.631 -3.390) 6.416 39.322 ( -1.523 -9.170 -7.994) 12.260 ======================= Grid point 45 (20/36) ======================= q-point: ( 0.43 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 13.818 8.206 0.988) 16.101 1.634 ( 15.224 5.147 -0.531) 16.079 1.686 ( 0.460 12.290 0.644) 12.315 1.848 ( 1.446 -1.947 0.282) 2.441 1.982 ( 1.153 -2.893 1.645) 3.522 2.077 ( 0.157 2.442 4.619) 5.227 2.097 ( -3.429 1.148 2.370) 4.324 2.145 ( -2.112 -1.479 2.930) 3.903 2.190 ( 2.923 0.273 2.718) 4.001 2.240 ( 7.356 -2.333 1.165) 7.804 2.291 ( -3.207 -1.015 -0.150) 3.367 2.328 ( 2.873 -0.666 1.042) 3.128 2.422 ( 0.910 0.733 5.654) 5.773 2.455 ( -3.738 4.917 -4.039) 7.380 2.522 ( -0.566 -0.856 -1.344) 1.691 2.564 ( -2.879 -1.658 -0.103) 3.324 2.651 ( 3.465 -7.038 -0.969) 7.904 2.709 ( -0.925 -2.629 -1.328) 3.087 2.727 ( 0.855 -5.572 -1.730) 5.897 2.790 ( 3.483 4.343 0.784) 5.622 2.855 ( -6.202 -2.620 -0.266) 6.738 2.898 ( -5.542 -3.064 1.611) 6.534 2.993 ( 7.008 -3.293 1.911) 7.975 3.059 ( 0.725 -2.115 2.037) 3.025 3.127 ( 4.795 2.999 -0.251) 5.661 3.166 ( 6.011 5.735 0.334) 8.315 3.186 ( -1.387 3.399 0.311) 3.684 3.239 ( 0.880 3.956 -2.944) 5.009 3.323 ( 2.064 -1.592 -1.260) 2.895 3.344 ( -0.654 1.940 -2.478) 3.214 3.385 ( 0.313 -0.479 -4.872) 4.905 3.418 ( -1.197 -1.059 -1.934) 2.509 3.515 ( 2.680 3.377 -2.993) 5.248 3.569 ( -1.063 2.343 -0.866) 2.715 3.610 ( 4.515 1.250 -1.797) 5.018 3.642 ( -0.042 0.958 -3.495) 3.624 3.688 ( 2.917 3.109 -2.823) 5.113 3.752 ( 1.354 1.146 -3.090) 3.563 3.785 ( -1.702 -5.599 -1.626) 6.074 3.835 ( -2.200 -0.867 -1.207) 2.656 3.912 ( 6.293 -3.335 1.898) 7.371 3.973 ( 2.394 0.561 -0.612) 2.534 4.002 ( 6.656 1.181 2.946) 7.374 4.041 ( 2.275 -2.240 3.526) 4.757 4.100 ( 1.469 -2.424 -0.251) 2.846 4.145 ( 5.939 2.947 3.585) 7.537 4.180 ( -4.621 -2.165 -0.615) 5.140 4.235 ( -6.111 -5.869 5.246) 9.965 4.320 ( 8.799 -3.112 4.818) 10.503 4.372 ( 4.610 -4.484 6.339) 9.030 4.446 ( 4.690 3.560 1.291) 6.028 4.488 ( -3.158 1.429 -1.646) 3.838 4.539 ( 2.518 5.376 0.498) 5.957 4.556 ( -4.657 1.818 -0.628) 5.039 4.629 ( 1.709 1.322 3.745) 4.324 4.668 ( 1.362 2.186 0.736) 2.679 4.702 ( -6.610 1.167 5.323) 8.566 4.737 ( -4.097 0.727 -0.529) 4.194 4.805 ( -3.560 -3.523 1.120) 5.132 4.818 ( -7.297 -2.102 2.197) 7.905 4.899 ( -1.563 -2.268 4.151) 4.982 4.938 ( -3.079 -0.588 4.958) 5.866 5.003 ( 1.176 -5.463 2.998) 6.341 5.018 ( 0.832 -5.109 1.767) 5.470 5.111 ( 3.367 1.380 2.280) 4.294 5.169 ( -0.736 2.019 0.654) 2.247 5.228 ( 4.184 -3.348 6.320) 8.286 5.264 ( -0.859 -0.860 -3.887) 4.072 5.289 ( 1.060 0.996 -4.877) 5.089 5.354 ( 0.129 0.554 -1.891) 1.975 5.357 ( -2.402 -0.659 -0.521) 2.545 5.434 ( -4.660 -0.269 -5.705) 7.371 5.459 ( -0.605 5.461 -0.749) 5.545 5.548 ( -6.354 2.468 -1.339) 6.946 5.605 ( 1.675 -1.097 -4.636) 5.049 5.653 ( -2.588 -3.863 -4.163) 6.241 5.870 ( 0.938 3.456 -2.906) 4.612 5.895 ( -1.155 3.955 -0.520) 4.153 5.933 ( -0.372 4.261 -2.654) 5.034 5.959 ( -1.700 -0.559 -2.710) 3.248 6.018 ( -0.123 1.167 -0.751) 1.393 6.038 ( -2.035 -0.989 -3.286) 3.989 6.137 ( 2.144 -3.410 -0.273) 4.037 6.165 ( -1.344 -3.351 -0.172) 3.615 6.227 ( 3.325 1.223 0.219) 3.549 6.260 ( 1.823 0.691 1.248) 2.315 6.274 ( 1.988 1.563 0.652) 2.612 6.306 ( -3.357 0.236 0.805) 3.461 6.345 ( -0.515 2.659 3.095) 4.113 6.406 ( -4.154 -0.496 0.756) 4.251 6.438 ( 0.796 -2.678 0.339) 2.814 6.482 ( -0.850 -1.218 -1.603) 2.186 6.558 ( 4.452 1.683 0.604) 4.798 6.641 ( -3.269 1.518 -0.996) 3.739 6.673 ( 0.432 -2.248 0.383) 2.321 6.737 ( -0.590 0.712 -1.306) 1.600 6.757 ( -0.915 0.294 -0.726) 1.204 6.782 ( 0.726 0.764 -3.985) 4.122 6.903 ( 0.449 -2.031 -0.645) 2.178 6.946 ( -2.876 -3.105 -2.473) 4.902 7.072 ( 3.423 3.471 2.014) 5.275 7.140 ( -3.248 2.212 0.803) 4.011 7.200 ( 3.178 -1.652 -0.111) 3.583 7.280 ( -4.606 -1.907 0.878) 5.062 7.306 ( 1.574 2.739 3.066) 4.402 7.360 ( -1.109 2.599 2.843) 4.009 7.393 ( 1.074 -1.181 4.218) 4.510 7.459 ( 0.064 -2.336 2.120) 3.155 7.496 ( 2.269 1.883 1.940) 3.530 7.579 ( -1.716 2.472 -0.568) 3.062 7.672 ( 4.033 -2.047 3.558) 5.754 7.745 ( -0.040 -0.364 0.795) 0.875 7.796 ( -0.262 1.244 0.501) 1.367 7.824 ( -0.532 1.084 -2.728) 2.983 7.865 ( 1.618 2.052 1.836) 3.194 7.872 ( 0.196 0.507 0.952) 1.096 7.939 ( -0.224 -2.226 0.869) 2.401 7.976 ( -1.543 -2.149 1.953) 3.288 7.989 ( -3.820 0.321 2.575) 4.618 8.022 ( -4.996 -0.370 2.604) 5.646 8.177 ( 2.506 -0.047 3.695) 4.465 8.221 ( 0.796 -0.179 4.076) 4.157 8.225 ( -1.895 0.354 4.675) 5.057 8.273 ( -3.728 -1.293 2.994) 4.953 8.669 ( 6.935 1.516 -0.235) 7.103 8.718 ( 4.001 -1.400 -0.810) 4.316 8.768 ( 2.972 -1.990 -0.814) 3.668 8.794 ( -0.129 -1.693 -2.295) 2.855 8.882 ( 3.308 1.457 -4.717) 5.943 8.919 ( 4.937 0.530 -1.677) 5.241 8.965 ( -2.145 3.732 -1.447) 4.541 9.063 ( -5.875 -1.022 -2.487) 6.461 9.292 ( 4.247 3.411 -0.766) 5.500 9.349 ( -0.309 2.607 -2.736) 3.792 9.485 ( 3.266 -5.044 -1.268) 6.142 9.520 ( 0.099 -4.243 -0.556) 4.280 9.606 ( 0.913 1.490 -5.846) 6.102 9.640 ( -2.228 1.389 -10.576) 10.898 9.672 ( 0.497 -1.885 -3.870) 4.333 9.710 ( -3.381 -2.185 -4.356) 5.931 9.835 ( 8.435 2.208 -0.003) 8.719 9.860 ( 4.498 0.929 -1.881) 4.963 9.989 ( -7.526 1.923 2.503) 8.161 10.082 ( -14.426 -2.029 1.508) 14.646 16.683 ( 0.392 0.900 -1.567) 1.850 16.693 ( -0.560 0.755 -1.512) 1.781 16.747 ( 0.050 -2.037 -1.546) 2.557 16.752 ( -0.372 -2.167 -1.502) 2.662 16.863 ( 2.381 -0.329 -2.397) 3.395 16.870 ( 2.639 -0.391 -1.521) 3.071 16.901 ( -1.572 0.476 -3.730) 4.076 16.919 ( -2.022 -0.234 -3.160) 3.759 16.993 ( 2.511 2.893 -0.770) 3.908 17.044 ( -2.193 1.766 0.926) 2.964 17.060 ( 3.576 0.591 -1.017) 3.764 17.114 ( 0.972 -1.214 -0.685) 1.699 17.139 ( 0.908 -1.532 -0.630) 1.889 17.146 ( 2.281 -1.406 -0.687) 2.767 17.183 ( -2.481 -0.012 -0.903) 2.640 17.234 ( -3.106 -1.016 -0.622) 3.326 17.242 ( 0.526 1.333 1.876) 2.360 17.267 ( -0.619 0.885 1.990) 2.264 17.280 ( -0.227 -0.046 2.108) 2.121 17.297 ( -0.976 -1.269 2.009) 2.569 17.472 ( 1.713 1.610 3.432) 4.160 17.482 ( 0.923 1.679 2.562) 3.200 17.548 ( -0.927 -0.777 4.458) 4.619 17.566 ( -2.081 -1.068 3.594) 4.288 21.655 ( 0.270 1.792 0.109) 1.816 21.658 ( 0.010 1.993 0.052) 1.993 21.766 ( 1.382 -3.716 0.096) 3.966 21.790 ( -0.912 -4.901 -0.413) 5.002 21.957 ( 1.505 2.838 0.124) 3.214 21.991 ( -1.768 3.605 -0.712) 4.078 22.031 ( 1.842 -0.851 -0.214) 2.041 22.075 ( -2.396 -1.008 -1.082) 2.816 22.226 ( 0.863 0.740 -0.295) 1.174 22.238 ( -0.273 0.456 -0.369) 0.647 22.248 ( 0.604 -0.105 -0.728) 0.952 22.256 ( -0.158 -0.235 -0.618) 0.680 26.948 ( 1.188 -0.109 -0.251) 1.219 26.950 ( 1.147 -0.184 -0.270) 1.193 26.961 ( 0.706 0.062 -0.042) 0.710 26.962 ( 0.568 -0.047 -0.025) 0.570 26.994 ( -0.249 -0.113 0.154) 0.314 26.995 ( -0.477 -0.207 0.195) 0.555 27.009 ( -1.277 0.441 0.626) 1.488 27.012 ( -1.395 0.265 0.563) 1.527 27.378 ( 0.706 0.032 0.225) 0.742 27.383 ( 0.615 -0.178 0.122) 0.652 27.402 ( -1.652 -0.078 0.470) 1.719 27.405 ( -1.632 -0.196 0.421) 1.697 36.226 ( 3.992 0.521 7.348) 8.379 36.259 ( 4.106 -0.944 6.432) 7.689 36.323 ( -5.896 0.004 12.458) 13.783 36.347 ( -4.632 -1.134 9.929) 11.014 36.573 ( 7.723 0.767 0.727) 7.795 36.580 ( 6.627 0.331 0.310) 6.643 36.687 ( -3.408 -0.038 3.412) 4.823 36.702 ( -4.635 -0.595 1.509) 4.910 36.898 ( 0.790 4.403 -0.081) 4.474 36.943 ( -2.104 1.731 -0.403) 2.755 37.039 ( 5.643 -2.111 -4.271) 7.385 37.111 ( -2.062 -3.662 -4.389) 6.076 37.179 ( -0.564 -2.074 -0.879) 2.322 37.237 ( -1.752 -2.021 -4.705) 5.412 37.293 ( -7.767 1.656 -5.454) 9.634 37.391 ( -11.921 -2.037 -6.148) 13.567 37.677 ( 5.675 8.167 2.409) 10.233 37.784 ( -4.425 9.652 -0.762) 10.645 37.971 ( 7.180 -4.990 3.032) 9.255 38.132 ( -7.978 -5.932 -1.066) 9.998 38.971 ( 8.009 2.616 0.630) 8.449 39.063 ( -1.042 3.286 -1.319) 3.691 39.100 ( 9.807 -2.998 -0.570) 10.271 39.251 ( -5.457 -4.915 -4.038) 8.381 ======================= Grid point 49 (21/36) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 0.000 -17.346 8.556) 19.341 1.039 ( 0.000 17.346 8.556) 19.341 1.230 ( 0.000 -12.243 24.223) 27.141 1.230 ( 0.000 12.243 24.223) 27.141 1.633 ( 0.000 -7.964 8.570) 11.699 1.633 ( 0.000 7.964 8.570) 11.699 1.943 ( 0.000 -15.756 -3.199) 16.078 1.943 ( 0.000 15.756 -3.199) 16.078 2.018 ( 0.000 -7.219 2.038) 7.501 2.018 ( 0.000 7.219 2.038) 7.501 2.231 ( 0.000 -6.347 2.280) 6.744 2.231 ( 0.000 6.347 2.280) 6.744 2.416 ( 0.000 -8.844 5.865) 10.612 2.416 ( 0.000 8.844 5.865) 10.612 2.552 ( 0.000 -2.293 -1.969) 3.022 2.552 ( 0.000 2.293 -1.969) 3.022 2.564 ( 0.000 -9.869 -8.918) 13.301 2.564 ( 0.000 9.869 -8.918) 13.301 2.660 ( 0.000 -9.063 -3.176) 9.603 2.660 ( 0.000 9.063 -3.176) 9.603 2.815 ( 0.000 -5.757 4.288) 7.179 2.815 ( 0.000 5.757 4.288) 7.179 2.949 ( 0.000 -0.446 -0.562) 0.717 2.949 ( 0.000 0.446 -0.562) 0.717 3.097 ( 0.000 -8.297 -1.073) 8.366 3.097 ( 0.000 8.297 -1.073) 8.366 3.163 ( 0.000 -1.705 -0.805) 1.886 3.163 ( 0.000 1.705 -0.805) 1.886 3.277 ( 0.000 -0.694 1.306) 1.479 3.277 ( 0.000 0.694 1.306) 1.479 3.302 ( 0.000 -5.229 -0.810) 5.292 3.302 ( 0.000 5.229 -0.810) 5.292 3.366 ( 0.000 -2.640 4.335) 5.075 3.366 ( 0.000 2.640 4.335) 5.075 3.576 ( 0.000 -3.868 -1.048) 4.007 3.576 ( 0.000 3.868 -1.048) 4.007 3.632 ( 0.000 -5.499 -5.329) 7.657 3.632 ( 0.000 5.499 -5.329) 7.657 3.708 ( 0.000 -4.173 -3.398) 5.381 3.708 ( 0.000 4.173 -3.398) 5.381 3.834 ( 0.000 -0.003 -6.761) 6.761 3.834 ( 0.000 0.003 -6.761) 6.761 3.977 ( 0.000 -4.419 4.399) 6.235 3.977 ( 0.000 4.419 4.399) 6.235 4.027 ( 0.000 -1.215 4.906) 5.054 4.027 ( 0.000 1.215 4.906) 5.054 4.146 ( 0.000 -7.154 -0.342) 7.162 4.146 ( 0.000 7.154 -0.342) 7.162 4.290 ( 0.000 -3.006 6.742) 7.382 4.290 ( 0.000 3.006 6.742) 7.382 4.336 ( 0.000 -5.230 -10.567) 11.790 4.336 ( 0.000 5.230 -10.567) 11.790 4.559 ( 0.000 -3.493 4.146) 5.421 4.559 ( 0.000 3.493 4.146) 5.421 4.693 ( 0.000 -5.125 -8.781) 10.167 4.693 ( 0.000 5.125 -8.781) 10.167 4.818 ( 0.000 -2.095 8.615) 8.866 4.818 ( 0.000 2.095 8.615) 8.866 4.847 ( 0.000 -9.869 -6.704) 11.931 4.847 ( 0.000 9.869 -6.704) 11.931 4.948 ( 0.000 -4.288 1.027) 4.409 4.948 ( 0.000 4.288 1.027) 4.409 5.054 ( 0.000 -1.917 -6.654) 6.925 5.054 ( 0.000 1.917 -6.654) 6.925 5.225 ( 0.000 -1.219 -0.484) 1.311 5.225 ( 0.000 1.219 -0.484) 1.311 5.328 ( 0.000 -4.017 4.382) 5.945 5.328 ( 0.000 4.017 4.382) 5.945 5.513 ( 0.000 -7.452 -1.344) 7.572 5.513 ( 0.000 7.452 -1.344) 7.572 5.551 ( 0.000 -0.680 3.090) 3.164 5.551 ( 0.000 0.680 3.090) 3.164 5.682 ( 0.000 -0.201 -3.250) 3.256 5.682 ( 0.000 0.201 -3.250) 3.256 5.702 ( 0.000 -2.047 4.308) 4.770 5.702 ( 0.000 2.047 4.308) 4.770 5.938 ( 0.000 -1.421 -2.755) 3.100 5.938 ( 0.000 1.421 -2.755) 3.100 5.980 ( 0.000 -1.137 -4.440) 4.583 5.980 ( 0.000 1.137 -4.440) 4.583 6.121 ( 0.000 -0.154 0.481) 0.505 6.121 ( 0.000 0.154 0.481) 0.505 6.134 ( 0.000 -0.711 2.504) 2.604 6.134 ( 0.000 0.711 2.504) 2.604 6.218 ( 0.000 -1.092 2.187) 2.444 6.218 ( 0.000 1.092 2.187) 2.444 6.319 ( 0.000 -5.706 0.256) 5.712 6.319 ( 0.000 5.706 0.256) 5.712 6.429 ( 0.000 -5.890 5.727) 8.215 6.429 ( 0.000 5.890 5.727) 8.215 6.540 ( 0.000 -2.717 -2.529) 3.712 6.540 ( 0.000 2.717 -2.529) 3.712 6.602 ( 0.000 -2.480 -2.116) 3.260 6.602 ( 0.000 2.480 -2.116) 3.260 6.680 ( 0.000 -3.762 2.188) 4.352 6.680 ( 0.000 3.762 2.188) 4.352 6.820 ( 0.000 -6.010 0.444) 6.026 6.820 ( 0.000 6.010 0.444) 6.026 6.962 ( 0.000 -4.119 -2.859) 5.014 6.962 ( 0.000 4.119 -2.859) 5.014 7.083 ( 0.000 -0.829 -4.119) 4.202 7.083 ( 0.000 0.829 -4.119) 4.202 7.265 ( 0.000 -2.366 1.369) 2.734 7.265 ( 0.000 2.366 1.369) 2.734 7.365 ( 0.000 -2.842 -4.608) 5.413 7.365 ( 0.000 2.842 -4.608) 5.413 7.470 ( 0.000 -0.189 4.922) 4.925 7.470 ( 0.000 0.189 4.922) 4.925 7.584 ( 0.000 -0.602 0.199) 0.634 7.584 ( 0.000 0.602 0.199) 0.634 7.654 ( 0.000 -8.863 -2.547) 9.222 7.654 ( 0.000 8.863 -2.547) 9.222 7.760 ( 0.000 -1.036 -4.433) 4.553 7.760 ( 0.000 1.036 -4.433) 4.553 7.926 ( 0.000 -1.474 -3.303) 3.617 7.926 ( 0.000 1.474 -3.303) 3.617 8.020 ( 0.000 -0.678 5.781) 5.821 8.020 ( 0.000 0.678 5.781) 5.821 8.088 ( 0.000 -8.369 1.755) 8.551 8.088 ( 0.000 8.369 1.755) 8.551 8.247 ( 0.000 -1.416 0.231) 1.434 8.247 ( 0.000 1.416 0.231) 1.434 8.368 ( 0.000 -3.793 -1.845) 4.218 8.368 ( 0.000 3.793 -1.845) 4.218 8.483 ( 0.000 -3.867 -4.582) 5.996 8.483 ( 0.000 3.867 -4.582) 5.996 8.582 ( 0.000 -3.073 3.173) 4.417 8.582 ( 0.000 3.073 3.173) 4.417 8.618 ( 0.000 -2.238 3.118) 3.838 8.618 ( 0.000 2.238 3.118) 3.838 8.876 ( 0.000 -2.069 -4.024) 4.524 8.876 ( 0.000 2.069 -4.024) 4.524 9.219 ( 0.000 -4.814 1.839) 5.154 9.219 ( 0.000 4.814 1.839) 5.154 9.398 ( 0.000 -5.882 -1.215) 6.006 9.398 ( 0.000 5.882 -1.215) 6.006 9.626 ( 0.000 -0.496 -8.036) 8.051 9.626 ( 0.000 0.496 -8.036) 8.051 9.672 ( 0.000 -5.000 -3.782) 6.269 9.672 ( 0.000 5.000 -3.782) 6.269 9.930 ( 0.000 -6.987 -1.576) 7.162 9.930 ( 0.000 6.987 -1.576) 7.162 10.534 ( 0.000 -14.053 11.806) 18.354 10.534 ( 0.000 14.053 11.806) 18.354 16.712 ( 0.000 -0.900 -1.008) 1.351 16.712 ( 0.000 0.900 -1.008) 1.351 16.719 ( 0.000 -1.811 -1.177) 2.160 16.719 ( 0.000 1.811 -1.177) 2.160 16.742 ( 0.000 -0.900 -4.602) 4.689 16.742 ( 0.000 0.900 -4.602) 4.689 16.848 ( 0.000 -0.790 -1.435) 1.638 16.848 ( 0.000 0.790 -1.435) 1.638 17.012 ( 0.000 -0.997 -2.804) 2.976 17.012 ( 0.000 0.997 -2.804) 2.976 17.026 ( 0.000 -2.055 -0.174) 2.063 17.026 ( 0.000 2.055 -0.174) 2.063 17.193 ( 0.000 -0.039 1.113) 1.113 17.193 ( 0.000 0.039 1.113) 1.113 17.218 ( 0.000 -2.209 3.164) 3.859 17.218 ( 0.000 2.209 3.164) 3.859 17.267 ( 0.000 -2.113 1.283) 2.472 17.267 ( 0.000 2.113 1.283) 2.472 17.348 ( 0.000 -0.521 -0.173) 0.549 17.348 ( 0.000 0.521 -0.173) 0.549 17.484 ( 0.000 -1.270 2.367) 2.686 17.484 ( 0.000 1.270 2.367) 2.686 17.594 ( 0.000 -1.271 4.851) 5.014 17.594 ( 0.000 1.271 4.851) 5.014 21.666 ( 0.000 -1.500 0.033) 1.500 21.666 ( 0.000 1.500 0.033) 1.500 21.690 ( 0.000 -1.519 0.232) 1.537 21.690 ( 0.000 1.519 0.232) 1.537 21.931 ( 0.000 -0.923 -0.166) 0.938 21.931 ( 0.000 0.923 -0.166) 0.938 22.169 ( 0.000 -0.513 -0.959) 1.087 22.169 ( 0.000 0.513 -0.959) 1.087 22.215 ( 0.000 -0.271 -4.730) 4.738 22.215 ( 0.000 0.271 -4.730) 4.738 22.241 ( 0.000 -0.223 -0.649) 0.686 22.241 ( 0.000 0.223 -0.649) 0.686 26.903 ( 0.000 -0.095 -1.348) 1.351 26.903 ( 0.000 0.095 -1.348) 1.351 26.905 ( 0.000 -0.147 -1.711) 1.717 26.905 ( 0.000 0.147 -1.711) 1.717 27.031 ( 0.000 -0.053 1.389) 1.390 27.031 ( 0.000 0.053 1.389) 1.390 27.066 ( 0.000 -0.003 2.345) 2.345 27.066 ( 0.000 0.003 2.345) 2.345 27.389 ( 0.000 -0.046 -0.508) 0.510 27.389 ( 0.000 0.046 -0.508) 0.510 27.505 ( 0.000 -0.589 0.362) 0.691 27.505 ( 0.000 0.589 0.362) 0.691 36.125 ( 0.000 -0.017 2.212) 2.212 36.125 ( 0.000 0.017 2.212) 2.212 36.287 ( 0.000 -1.470 -0.555) 1.571 36.287 ( 0.000 1.470 -0.555) 1.571 36.632 ( 0.000 -6.118 21.559) 22.410 36.632 ( 0.000 6.118 21.559) 22.410 36.728 ( 0.000 -0.181 2.714) 2.720 36.728 ( 0.000 0.181 2.714) 2.720 37.027 ( 0.000 -1.021 -1.195) 1.572 37.027 ( 0.000 1.021 -1.195) 1.572 37.118 ( 0.000 -2.381 8.380) 8.711 37.118 ( 0.000 2.381 8.380) 8.711 37.268 ( 0.000 -10.414 0.493) 10.425 37.268 ( 0.000 10.414 0.493) 10.425 37.769 ( 0.000 -1.699 -11.646) 11.769 37.769 ( 0.000 1.699 -11.646) 11.769 38.101 ( 0.000 -0.121 1.427) 1.432 38.101 ( 0.000 0.121 1.427) 1.432 38.179 ( 0.000 -0.398 -0.668) 0.778 38.179 ( 0.000 0.398 -0.668) 0.778 38.406 ( 0.000 -9.479 8.484) 12.722 38.406 ( 0.000 9.479 8.484) 12.722 38.968 ( 0.000 -0.018 -10.199) 10.199 38.968 ( 0.000 0.018 -10.199) 10.199 ======================= Grid point 51 (22/36) ======================= q-point: ( 0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 9.414 -12.002 11.572) 19.146 1.166 ( 9.414 12.002 11.572) 19.146 1.358 ( 11.968 -11.490 17.305) 23.973 1.358 ( 11.968 11.490 17.305) 23.973 1.735 ( 9.622 -4.458 5.086) 11.762 1.735 ( 9.622 4.458 5.086) 11.762 1.973 ( 2.832 -14.941 -1.352) 15.267 1.973 ( 2.832 14.941 -1.352) 15.267 2.097 ( 6.913 -5.841 0.315) 9.056 2.097 ( 6.913 5.841 0.315) 9.056 2.307 ( 6.059 -4.647 0.572) 7.658 2.307 ( 6.059 4.647 0.572) 7.658 2.419 ( -0.828 -3.348 1.245) 3.667 2.419 ( -0.828 3.348 1.245) 3.667 2.542 ( 1.106 -4.739 0.222) 4.872 2.542 ( 1.106 4.739 0.222) 4.872 2.573 ( 1.484 -3.201 -4.028) 5.355 2.573 ( 1.484 3.201 -4.028) 5.355 2.678 ( 0.807 -6.915 -1.169) 7.059 2.678 ( 0.807 6.915 -1.169) 7.059 2.823 ( 2.993 -5.276 3.581) 7.044 2.823 ( 2.993 5.276 3.581) 7.044 2.963 ( 0.663 -3.327 -1.755) 3.819 2.963 ( 0.663 3.327 -1.755) 3.819 3.092 ( -1.703 -6.169 0.108) 6.400 3.092 ( -1.703 6.169 0.108) 6.400 3.151 ( -1.316 -4.147 -1.470) 4.592 3.151 ( -1.316 4.147 -1.470) 4.592 3.270 ( 2.410 -3.485 -1.330) 4.441 3.270 ( 2.410 3.485 -1.330) 4.441 3.324 ( 0.657 -3.454 2.650) 4.403 3.324 ( 0.657 3.454 2.650) 4.403 3.383 ( 1.491 -4.342 0.313) 4.602 3.383 ( 1.491 4.342 0.313) 4.602 3.595 ( 1.630 -4.814 -1.814) 5.397 3.595 ( 1.630 4.814 -1.814) 5.397 3.686 ( 3.770 -4.088 -2.407) 6.059 3.686 ( 3.770 4.088 -2.407) 6.059 3.747 ( 4.299 -4.562 -1.194) 6.382 3.747 ( 4.299 4.562 -1.194) 6.382 3.838 ( 0.241 -0.781 -6.151) 6.205 3.838 ( 0.241 0.781 -6.151) 6.205 3.941 ( -3.396 -5.214 -0.097) 6.223 3.941 ( -3.396 5.214 -0.097) 6.223 4.025 ( 0.925 -2.240 6.511) 6.948 4.025 ( 0.925 2.240 6.511) 6.948 4.185 ( 1.995 -6.073 -0.411) 6.406 4.185 ( 1.995 6.073 -0.411) 6.406 4.275 ( 0.927 -0.957 -1.629) 2.104 4.275 ( 0.927 0.957 -1.629) 2.104 4.385 ( 3.052 -1.757 3.596) 5.034 4.385 ( 3.052 1.757 3.596) 5.034 4.518 ( -2.245 -2.684 0.092) 3.501 4.518 ( -2.245 2.684 0.092) 3.501 4.668 ( -0.614 -5.973 -6.005) 8.492 4.668 ( -0.614 5.973 -6.005) 8.492 4.825 ( -2.014 -3.439 4.990) 6.387 4.825 ( -2.014 3.439 4.990) 6.387 4.884 ( 2.357 -7.947 -7.462) 11.153 4.884 ( 2.357 7.947 -7.462) 11.153 4.961 ( -0.245 -2.867 2.889) 4.077 4.961 ( -0.245 2.867 2.889) 4.077 5.028 ( 0.602 -3.635 -3.606) 5.155 5.028 ( 0.602 3.635 -3.606) 5.155 5.176 ( -4.312 -2.122 0.891) 4.888 5.176 ( -4.312 2.122 0.891) 4.888 5.286 ( -4.127 -1.745 4.129) 6.093 5.286 ( -4.127 1.745 4.129) 6.093 5.496 ( -2.798 -3.198 -2.882) 5.134 5.496 ( -2.798 3.198 -2.882) 5.134 5.538 ( -0.658 -2.400 0.541) 2.547 5.538 ( -0.658 2.400 0.541) 2.547 5.632 ( -4.300 -2.259 -3.321) 5.884 5.632 ( -4.300 2.259 -3.321) 5.884 5.696 ( -0.923 -3.427 2.380) 4.273 5.696 ( -0.923 3.427 2.380) 4.273 5.941 ( 0.704 -1.661 -1.774) 2.530 5.941 ( 0.704 1.661 -1.774) 2.530 5.999 ( 1.138 -1.636 -0.789) 2.143 5.999 ( 1.138 1.636 -0.789) 2.143 6.077 ( -4.411 -2.082 2.249) 5.371 6.077 ( -4.411 2.082 2.249) 5.371 6.093 ( -0.863 -1.373 0.112) 1.626 6.093 ( -0.863 1.373 0.112) 1.626 6.206 ( -1.483 -3.299 -0.409) 3.640 6.206 ( -1.483 3.299 -0.409) 3.640 6.344 ( 0.293 -2.226 1.879) 2.928 6.344 ( 0.293 2.226 1.879) 2.928 6.449 ( 0.887 -4.790 1.875) 5.219 6.449 ( 0.887 4.790 1.875) 5.219 6.496 ( -1.986 -6.208 -0.657) 6.551 6.496 ( -1.986 6.208 -0.657) 6.551 6.578 ( -1.429 -1.009 -0.169) 1.757 6.578 ( -1.429 1.009 -0.169) 1.757 6.699 ( 0.928 -2.967 2.342) 3.893 6.699 ( 0.928 2.967 2.342) 3.893 6.824 ( 0.123 -5.167 0.501) 5.193 6.824 ( 0.123 5.167 0.501) 5.193 6.946 ( -0.863 -1.443 -0.880) 1.898 6.946 ( -0.863 1.443 -0.880) 1.898 7.098 ( 0.799 -2.759 -3.254) 4.341 7.098 ( 0.799 2.759 -3.254) 4.341 7.248 ( -3.798 -5.205 -1.733) 6.672 7.248 ( -3.798 5.205 -1.733) 6.672 7.328 ( 0.728 -3.500 0.691) 3.642 7.328 ( 0.728 3.500 0.691) 3.642 7.436 ( -2.167 -0.278 1.347) 2.567 7.436 ( -2.167 0.278 1.347) 2.567 7.575 ( -1.637 -1.169 4.578) 5.000 7.575 ( -1.637 1.169 4.578) 5.000 7.687 ( 2.875 -4.600 -3.864) 6.660 7.687 ( 2.875 4.600 -3.864) 6.660 7.766 ( 0.683 -1.265 -3.510) 3.793 7.766 ( 0.683 1.265 -3.510) 3.793 7.910 ( -1.158 -2.367 -3.572) 4.439 7.910 ( -1.158 2.367 -3.572) 4.439 8.022 ( -1.085 -2.588 5.668) 6.324 8.022 ( -1.085 2.588 5.668) 6.324 8.076 ( -0.992 -4.910 2.522) 5.608 8.076 ( -0.992 4.910 2.522) 5.608 8.295 ( -2.707 -3.219 -0.184) 4.209 8.295 ( -2.707 3.219 -0.184) 4.209 8.347 ( 6.521 -1.811 -1.268) 6.886 8.347 ( 6.521 1.811 -1.268) 6.886 8.483 ( -7.632 -1.050 2.668) 8.153 8.483 ( -7.632 1.050 2.668) 8.153 8.560 ( 4.680 -6.757 0.820) 8.261 8.560 ( 4.680 6.757 0.820) 8.261 8.676 ( 7.185 -1.466 -1.268) 7.442 8.676 ( 7.185 1.466 -1.268) 7.442 8.992 ( 6.924 -2.035 -6.671) 9.828 8.992 ( 6.924 2.035 -6.671) 9.828 9.243 ( 2.159 -4.045 1.821) 4.934 9.243 ( 2.159 4.045 1.821) 4.934 9.401 ( 0.477 -5.920 -0.617) 5.971 9.401 ( 0.477 5.920 -0.617) 5.971 9.634 ( 0.342 -1.607 -6.712) 6.911 9.634 ( 0.342 1.607 -6.712) 6.911 9.686 ( 1.585 -2.747 -3.695) 4.870 9.686 ( 1.585 2.747 -3.695) 4.870 9.887 ( -3.906 -6.007 -3.783) 8.103 9.887 ( -3.906 6.007 -3.783) 8.103 10.450 ( -7.796 -11.389 10.176) 17.148 10.450 ( -7.796 11.389 10.176) 17.148 16.711 ( -0.237 -2.435 -2.144) 3.253 16.711 ( -0.237 2.435 -2.144) 3.253 16.729 ( -0.081 -0.779 -2.379) 2.504 16.729 ( -0.081 0.779 -2.379) 2.504 16.750 ( 2.077 -0.824 -0.469) 2.283 16.750 ( 2.077 0.824 -0.469) 2.283 16.878 ( 2.574 -0.733 -3.110) 4.103 16.878 ( 2.574 0.733 -3.110) 4.103 17.004 ( -0.730 -0.939 -3.244) 3.455 17.004 ( -0.730 0.939 -3.244) 3.455 17.029 ( 0.526 -2.037 -0.281) 2.123 17.029 ( 0.526 2.037 -0.281) 2.123 17.181 ( -1.289 -0.941 1.422) 2.137 17.181 ( -1.289 0.941 1.422) 2.137 17.230 ( 0.854 -2.502 1.914) 3.264 17.230 ( 0.854 2.502 1.914) 3.264 17.247 ( -0.856 -1.422 2.212) 2.765 17.247 ( -0.856 1.422 2.212) 2.765 17.346 ( -0.793 -1.188 0.243) 1.449 17.346 ( -0.793 1.188 0.243) 1.449 17.479 ( -0.406 -1.285 2.502) 2.842 17.479 ( -0.406 1.285 2.502) 2.842 17.592 ( -0.220 -1.249 4.396) 4.576 17.592 ( -0.220 1.249 4.396) 4.576 21.671 ( 0.545 -1.768 0.072) 1.852 21.671 ( 0.545 1.768 0.072) 1.852 21.699 ( 0.690 -2.653 0.080) 2.742 21.699 ( 0.690 2.653 0.080) 2.742 21.940 ( 0.913 -1.135 -0.078) 1.459 21.940 ( 0.913 1.135 -0.078) 1.459 22.152 ( -1.984 -0.926 -2.335) 3.201 22.152 ( -1.984 0.926 -2.335) 3.201 22.211 ( 0.205 -0.707 -2.036) 2.165 22.211 ( 0.205 0.707 -2.036) 2.165 22.246 ( 0.296 -0.272 -0.675) 0.786 22.246 ( 0.296 0.272 -0.675) 0.786 26.908 ( 0.580 -0.115 -1.228) 1.363 26.908 ( 0.580 0.115 -1.228) 1.363 26.915 ( 0.942 -0.134 -1.486) 1.765 26.915 ( 0.942 0.134 -1.486) 1.765 27.025 ( -0.624 -0.083 1.173) 1.332 27.025 ( -0.624 0.083 1.173) 1.332 27.060 ( -0.619 -0.075 2.091) 2.182 27.060 ( -0.619 0.075 2.091) 2.182 27.384 ( -0.474 -0.129 -0.419) 0.645 27.384 ( -0.474 0.129 -0.419) 0.645 27.483 ( -1.927 -0.506 0.579) 2.075 27.483 ( -1.927 0.506 0.579) 2.075 36.137 ( 1.221 -0.271 2.612) 2.896 36.137 ( 1.221 0.271 2.612) 2.896 36.319 ( 3.277 -1.513 -0.251) 3.618 36.319 ( 3.277 1.513 -0.251) 3.618 36.580 ( -4.852 -3.804 20.910) 21.800 36.580 ( -4.852 3.804 20.910) 21.800 36.723 ( -0.278 -1.041 2.554) 2.772 36.723 ( -0.278 1.041 2.554) 2.772 36.966 ( -2.879 -1.306 0.463) 3.195 36.966 ( -2.879 1.306 0.463) 3.195 37.190 ( -0.113 -4.251 1.370) 4.468 37.190 ( -0.113 4.251 1.370) 4.468 37.217 ( -0.448 -5.181 0.881) 5.275 37.217 ( -0.448 5.181 0.881) 5.275 37.683 ( -6.694 -0.579 -5.983) 8.997 37.683 ( -6.694 0.579 -5.983) 8.997 37.956 ( -10.999 -3.925 0.750) 11.703 37.956 ( -10.999 3.925 0.750) 11.703 38.186 ( -2.003 -7.277 -4.215) 8.645 38.186 ( -2.003 7.277 -4.215) 8.645 38.538 ( 12.263 -4.583 6.662) 14.689 38.538 ( 12.263 4.583 6.662) 14.689 39.052 ( 6.157 -9.958 -8.402) 14.411 39.052 ( 6.157 9.958 -8.402) 14.411 ======================= Grid point 53 (23/36) ======================= q-point: ( 0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 12.252 -7.802 6.538) 15.929 1.379 ( 12.252 7.802 6.538) 15.929 1.631 ( 14.751 -10.556 11.119) 21.276 1.631 ( 14.751 10.556 11.119) 21.276 1.951 ( 9.727 -4.615 0.211) 10.768 1.951 ( 9.727 4.615 0.211) 10.768 2.041 ( 3.910 -9.543 -0.121) 10.314 2.041 ( 3.910 9.543 -0.121) 10.314 2.171 ( -1.176 -2.325 -1.270) 2.898 2.171 ( -1.176 2.325 -1.270) 2.898 2.351 ( -0.066 -4.102 3.503) 5.395 2.351 ( -0.066 4.102 3.503) 5.395 2.467 ( 3.581 -1.007 -5.739) 6.839 2.467 ( 3.581 1.007 -5.739) 6.839 2.534 ( -2.602 -2.212 0.441) 3.443 2.534 ( -2.602 2.212 0.441) 3.443 2.637 ( 0.708 -0.881 -0.702) 1.331 2.637 ( 0.708 0.881 -0.702) 1.331 2.715 ( 6.049 -6.084 0.974) 8.634 2.715 ( 6.049 6.084 0.974) 8.634 2.925 ( -3.034 -4.980 1.487) 6.018 2.925 ( -3.034 4.980 1.487) 6.018 2.967 ( 1.799 -5.135 5.855) 7.993 2.967 ( 1.799 5.135 5.855) 7.993 3.047 ( 5.535 -4.527 -2.360) 7.530 3.047 ( 5.535 4.527 -2.360) 7.530 3.189 ( 4.732 -8.178 -3.355) 10.026 3.189 ( 4.732 8.178 -3.355) 10.026 3.303 ( -1.464 -1.772 1.660) 2.836 3.303 ( -1.464 1.772 1.660) 2.836 3.355 ( 4.371 -1.751 -3.013) 5.590 3.355 ( 4.371 1.751 -3.013) 5.590 3.469 ( 7.324 -4.029 -0.597) 8.381 3.469 ( 7.324 4.029 -0.597) 8.381 3.629 ( 2.088 -6.049 -0.805) 6.449 3.629 ( 2.088 6.049 -0.805) 6.449 3.726 ( -0.206 -1.669 0.323) 1.713 3.726 ( -0.206 1.669 0.323) 1.713 3.767 ( -3.506 -2.478 0.296) 4.303 3.767 ( -3.506 2.478 0.296) 4.303 3.861 ( 2.204 -2.234 -4.683) 5.637 3.861 ( 2.204 2.234 -4.683) 5.637 3.951 ( 5.908 -1.129 -2.008) 6.341 3.951 ( 5.908 1.129 -2.008) 6.341 4.064 ( 1.091 -2.592 3.444) 4.446 4.064 ( 1.091 2.592 3.444) 4.446 4.164 ( -0.723 -5.076 -1.747) 5.416 4.164 ( -0.723 5.076 -1.747) 5.416 4.344 ( 0.484 -1.999 5.977) 6.321 4.344 ( 0.484 1.999 5.977) 6.321 4.412 ( 2.913 -1.405 1.274) 3.476 4.412 ( 2.913 1.405 1.274) 3.476 4.550 ( 4.233 -2.124 -0.119) 4.737 4.550 ( 4.233 2.124 -0.119) 4.737 4.683 ( 0.372 -5.911 -2.488) 6.424 4.683 ( 0.372 5.911 -2.488) 6.424 4.756 ( -1.837 -2.200 3.066) 4.197 4.756 ( -1.837 2.200 3.066) 4.197 4.844 ( -4.474 -3.948 -0.764) 6.015 4.844 ( -4.474 3.948 -0.764) 6.015 4.965 ( -0.479 -4.271 -1.200) 4.462 4.965 ( -0.479 4.271 -1.200) 4.462 5.047 ( -5.615 -1.738 5.331) 7.935 5.047 ( -5.615 1.738 5.331) 7.935 5.113 ( 2.171 -2.764 2.183) 4.138 5.113 ( 2.171 2.764 2.183) 4.138 5.207 ( -1.906 -1.921 0.877) 2.845 5.207 ( -1.906 1.921 0.877) 2.845 5.398 ( -6.485 -1.237 -7.338) 9.870 5.398 ( -6.485 1.237 -7.338) 9.870 5.505 ( -3.500 -0.508 0.443) 3.564 5.505 ( -3.500 0.508 0.443) 3.564 5.569 ( -0.752 -4.962 -4.220) 6.557 5.569 ( -0.752 4.962 -4.220) 6.557 5.644 ( -4.081 -3.726 0.596) 5.558 5.644 ( -4.081 3.726 0.596) 5.558 5.946 ( -1.126 -2.513 -3.906) 4.779 5.946 ( -1.126 2.513 -3.906) 4.779 6.000 ( -2.685 -2.798 -0.452) 3.904 6.000 ( -2.685 2.798 -0.452) 3.904 6.032 ( 2.611 -1.601 3.774) 4.860 6.032 ( 2.611 1.601 3.774) 4.860 6.107 ( -0.055 -4.363 -0.479) 4.390 6.107 ( -0.055 4.363 -0.479) 4.390 6.179 ( 1.117 -2.592 -0.114) 2.825 6.179 ( 1.117 2.592 -0.114) 2.825 6.322 ( -2.024 -2.106 -0.634) 2.988 6.322 ( -2.024 2.106 -0.634) 2.988 6.403 ( -1.483 -0.761 0.349) 1.703 6.403 ( -1.483 0.761 0.349) 1.703 6.511 ( -3.291 -1.844 1.012) 3.906 6.511 ( -3.291 1.844 1.012) 3.906 6.567 ( 2.489 -5.679 2.958) 6.870 6.567 ( 2.489 5.679 2.958) 6.870 6.708 ( 1.194 -1.962 -0.787) 2.428 6.708 ( 1.194 1.962 -0.787) 2.428 6.806 ( -2.914 -0.366 0.554) 2.989 6.806 ( -2.914 0.366 0.554) 2.989 6.941 ( -0.775 -1.597 -1.936) 2.627 6.941 ( -0.775 1.597 -1.936) 2.627 7.091 ( 0.347 -3.597 -0.759) 3.693 7.091 ( 0.347 3.597 -0.759) 3.693 7.215 ( 1.034 -2.945 0.133) 3.124 7.215 ( 1.034 2.945 0.133) 3.124 7.364 ( -0.986 -1.761 2.467) 3.187 7.364 ( -0.986 1.761 2.467) 3.187 7.412 ( 1.973 -0.894 -0.357) 2.195 7.412 ( 1.973 0.894 -0.357) 2.195 7.534 ( -1.704 -1.191 4.199) 4.686 7.534 ( -1.704 1.191 4.199) 4.686 7.729 ( 0.528 -2.771 -1.587) 3.237 7.729 ( 0.528 2.771 -1.587) 3.237 7.789 ( 2.183 -2.241 -1.382) 3.421 7.789 ( 2.183 2.241 -1.382) 3.421 7.871 ( -2.406 -2.408 0.070) 3.405 7.871 ( -2.406 2.408 0.070) 3.405 7.980 ( -2.773 -2.721 3.112) 4.978 7.980 ( -2.773 2.721 3.112) 4.978 8.068 ( -0.487 -3.140 2.452) 4.013 8.068 ( -0.487 3.140 2.452) 4.013 8.222 ( -3.465 -1.971 1.835) 4.388 8.222 ( -3.465 1.971 1.835) 4.388 8.324 ( -5.769 -2.371 4.229) 7.536 8.324 ( -5.769 2.371 4.229) 7.536 8.536 ( 9.203 -2.220 -1.789) 9.634 8.536 ( 9.203 2.220 -1.789) 9.634 8.681 ( 6.445 -4.219 1.263) 7.806 8.681 ( 6.445 4.219 1.263) 7.806 8.809 ( 5.484 -0.888 -3.798) 6.729 8.809 ( 5.484 0.888 -3.798) 6.729 9.076 ( 1.166 -2.869 -6.388) 7.100 9.076 ( 1.166 2.869 -6.388) 7.100 9.289 ( 2.779 -3.132 0.106) 4.188 9.289 ( 2.779 3.132 0.106) 4.188 9.424 ( 1.573 -4.412 0.717) 4.739 9.424 ( 1.573 4.412 0.717) 4.739 9.633 ( -0.227 -2.221 -5.303) 5.754 9.633 ( -0.227 2.221 -5.303) 5.754 9.712 ( -0.181 -1.458 -1.796) 2.321 9.712 ( -0.181 1.458 -1.796) 2.321 9.815 ( -1.663 -3.090 -7.830) 8.581 9.815 ( -1.663 3.090 -7.830) 8.581 10.257 ( -11.038 -7.017 6.367) 14.547 10.257 ( -11.038 7.017 6.367) 14.547 16.707 ( -0.077 -2.207 -1.948) 2.944 16.707 ( -0.077 2.207 -1.948) 2.944 16.723 ( -0.369 -1.440 -1.886) 2.401 16.723 ( -0.369 1.440 -1.886) 2.401 16.806 ( 3.028 -0.591 0.029) 3.085 16.806 ( 3.028 0.591 0.029) 3.085 16.928 ( 1.310 -0.521 -4.410) 4.630 16.928 ( 1.310 0.521 -4.410) 4.630 16.997 ( 0.984 -1.064 -2.857) 3.204 16.997 ( 0.984 1.064 -2.857) 3.204 17.051 ( 1.786 -1.464 -0.384) 2.341 17.051 ( 1.786 1.464 -0.384) 2.341 17.142 ( -2.258 -1.921 1.009) 3.132 17.142 ( -2.258 1.921 1.009) 3.132 17.234 ( -0.048 -1.235 0.451) 1.315 17.234 ( -0.048 1.235 0.451) 1.315 17.259 ( 0.973 -1.791 3.086) 3.698 17.259 ( 0.973 1.791 3.086) 3.698 17.310 ( -2.491 -1.040 0.666) 2.780 17.310 ( -2.491 1.040 0.666) 2.780 17.476 ( 0.315 -1.019 3.008) 3.191 17.476 ( 0.315 1.019 3.008) 3.191 17.580 ( -1.198 -1.070 3.807) 4.132 17.580 ( -1.198 1.070 3.807) 4.132 21.685 ( 0.798 -2.272 0.109) 2.410 21.685 ( 0.798 2.272 0.109) 2.410 21.710 ( 0.334 -3.520 -0.034) 3.536 21.710 ( 0.334 3.520 -0.034) 3.536 21.965 ( 1.562 -1.574 -0.003) 2.217 21.965 ( 1.562 1.574 -0.003) 2.217 22.101 ( -2.825 -1.894 -1.820) 3.857 22.101 ( -2.825 1.894 -1.820) 3.857 22.224 ( 0.866 -0.684 -0.836) 1.384 22.224 ( 0.866 0.684 -0.836) 1.384 22.250 ( 0.109 -0.353 -0.465) 0.594 22.250 ( 0.109 0.353 -0.465) 0.594 26.925 ( 1.057 -0.059 -0.865) 1.367 26.925 ( 1.057 0.059 -0.865) 1.367 26.939 ( 1.385 -0.076 -0.841) 1.623 26.939 ( 1.385 0.076 -0.841) 1.623 27.008 ( -0.977 -0.094 0.669) 1.188 27.008 ( -0.977 0.094 0.669) 1.188 27.041 ( -1.212 -0.149 1.491) 1.927 27.041 ( -1.212 0.149 1.491) 1.927 27.376 ( -0.221 -0.176 -0.165) 0.328 27.376 ( -0.221 0.176 -0.165) 0.328 27.440 ( -2.193 -0.234 0.664) 2.303 27.440 ( -2.193 0.234 0.664) 2.303 36.174 ( 2.622 -0.751 4.046) 4.879 36.174 ( 2.622 0.751 4.046) 4.879 36.397 ( 1.862 -1.112 6.138) 6.510 36.397 ( 1.862 1.112 6.138) 6.510 36.486 ( -1.495 -0.717 10.082) 10.217 36.486 ( -1.495 0.717 10.082) 10.217 36.719 ( -0.354 -0.876 3.195) 3.331 36.719 ( -0.354 0.876 3.195) 3.331 36.950 ( 1.166 -0.321 -1.352) 1.814 36.950 ( 1.166 0.321 -1.352) 1.814 37.090 ( -5.507 -8.558 -2.533) 10.488 37.090 ( -5.507 8.558 -2.533) 10.488 37.230 ( -2.662 -3.211 0.360) 4.187 37.230 ( -2.662 3.211 0.360) 4.187 37.560 ( -7.585 -4.186 -6.793) 11.009 37.560 ( -7.585 4.186 -6.793) 11.009 37.767 ( -3.923 -6.751 3.549) 8.577 37.767 ( -3.923 6.751 3.549) 8.577 38.110 ( -5.261 -10.800 -3.187) 12.429 38.110 ( -5.261 10.800 -3.187) 12.429 38.808 ( 13.429 -3.261 2.790) 14.099 38.808 ( 13.429 3.261 2.790) 14.099 39.146 ( 2.733 -9.075 -5.423) 10.919 39.146 ( 2.733 9.075 -5.423) 10.919 ======================= Grid point 55 (24/36) ======================= q-point: ( 0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 13.424 -5.206 -1.123) 14.442 1.640 ( 13.424 5.206 -1.123) 14.442 1.852 ( -2.358 -1.533 -0.543) 2.864 1.852 ( -2.358 1.533 -0.543) 2.864 2.002 ( 7.241 -8.154 2.945) 11.295 2.002 ( 7.241 8.154 2.945) 11.295 2.158 ( 0.013 -3.124 3.406) 4.621 2.158 ( 0.013 3.124 3.406) 4.621 2.185 ( 5.292 -3.490 2.606) 6.854 2.185 ( 5.292 3.490 2.606) 6.854 2.290 ( -6.933 -5.174 6.301) 10.702 2.290 ( -6.933 5.174 6.301) 10.702 2.446 ( 1.639 -4.759 -4.972) 7.075 2.446 ( 1.639 4.759 -4.972) 7.075 2.563 ( -4.304 -4.542 -5.168) 8.116 2.563 ( -4.304 4.542 -5.168) 8.116 2.601 ( 3.576 -3.493 0.260) 5.005 2.601 ( 3.576 3.493 0.260) 5.005 2.727 ( -7.193 -4.649 1.741) 8.740 2.727 ( -7.194 4.649 1.741) 8.740 2.900 ( 5.619 -6.659 1.878) 8.913 2.900 ( 5.619 6.659 1.878) 8.913 2.982 ( -1.919 -5.922 4.146) 7.480 2.982 ( -1.919 5.922 4.146) 7.480 3.193 ( 6.055 -3.941 -1.462) 7.372 3.193 ( 6.055 3.941 -1.462) 7.372 3.262 ( -1.179 -3.433 1.335) 3.868 3.262 ( -1.179 3.433 1.335) 3.868 3.310 ( 5.111 -2.677 -3.813) 6.916 3.310 ( 5.111 2.677 -3.813) 6.916 3.409 ( -2.031 -1.752 -2.807) 3.883 3.409 ( -2.031 1.752 -2.807) 3.883 3.574 ( 2.494 -2.551 -3.985) 5.348 3.574 ( 2.494 2.551 -3.985) 5.348 3.632 ( -2.385 -3.664 -2.554) 5.063 3.632 ( -2.385 3.664 -2.554) 5.063 3.741 ( 3.268 -1.789 -1.088) 3.881 3.741 ( 3.268 1.789 -1.088) 3.881 3.795 ( 2.341 -4.564 -3.090) 5.988 3.795 ( 2.341 4.564 -3.090) 5.988 3.913 ( 5.816 -4.046 0.840) 7.134 3.913 ( 5.816 4.046 0.840) 7.134 4.019 ( -0.716 -0.272 -1.034) 1.287 4.019 ( -0.716 0.272 -1.034) 1.287 4.087 ( 3.000 -2.637 1.906) 4.425 4.087 ( 3.000 2.637 1.906) 4.425 4.206 ( -4.523 -1.617 6.071) 7.741 4.206 ( -4.523 1.617 6.071) 7.741 4.302 ( 7.973 -2.350 4.962) 9.681 4.302 ( 7.973 2.350 4.962) 9.681 4.501 ( 0.723 -0.998 -0.059) 1.233 4.501 ( 0.723 0.998 -0.059) 1.233 4.576 ( -1.799 -1.797 3.820) 4.589 4.576 ( -1.799 1.797 3.820) 4.589 4.676 ( -0.908 -3.727 -0.418) 3.858 4.676 ( -0.908 3.727 -0.418) 3.858 4.707 ( -3.174 -1.576 0.955) 3.670 4.707 ( -3.174 1.576 0.955) 3.670 4.816 ( -5.388 -2.014 1.253) 5.887 4.816 ( -5.388 2.014 1.253) 5.887 4.877 ( 2.181 -5.786 2.617) 6.714 4.877 ( 2.181 5.786 2.617) 6.714 4.953 ( -4.225 -2.020 5.259) 7.042 4.953 ( -4.225 2.020 5.259) 7.042 5.166 ( 4.113 -3.704 6.860) 8.815 5.166 ( 4.113 3.704 6.860) 8.815 5.218 ( 0.090 -3.354 -1.432) 3.648 5.218 ( 0.090 3.354 -1.432) 3.648 5.320 ( 0.292 -2.021 -6.437) 6.753 5.320 ( 0.292 2.021 -6.437) 6.753 5.401 ( -6.407 -2.822 -2.342) 7.382 5.401 ( -6.407 2.822 -2.342) 7.382 5.564 ( -0.201 -5.465 -3.077) 6.274 5.564 ( -0.201 5.465 -3.077) 6.274 5.585 ( -1.521 -1.113 -1.607) 2.477 5.585 ( -1.521 1.113 -1.607) 2.477 5.925 ( 0.269 -2.601 -4.736) 5.410 5.925 ( 0.269 2.601 -4.736) 5.410 5.958 ( -2.092 -2.237 -3.049) 4.322 5.958 ( -2.092 2.237 -3.049) 4.322 6.066 ( 0.838 -4.053 0.383) 4.156 6.066 ( 0.838 4.053 0.383) 4.156 6.085 ( -1.249 -5.143 -0.268) 5.299 6.085 ( -1.249 5.143 -0.268) 5.299 6.253 ( 4.304 -1.326 0.013) 4.504 6.253 ( 4.304 1.326 0.013) 4.504 6.302 ( -0.366 -0.936 0.485) 1.116 6.302 ( -0.366 0.936 0.485) 1.116 6.386 ( 0.003 -2.342 2.081) 3.133 6.386 ( 0.003 2.342 2.081) 3.133 6.437 ( -3.668 -2.999 0.700) 4.789 6.437 ( -3.668 2.999 0.700) 4.789 6.605 ( 2.774 -3.479 1.117) 4.588 6.605 ( 2.774 3.479 1.117) 4.588 6.697 ( -5.590 -3.203 -1.347) 6.581 6.697 ( -5.590 3.203 -1.347) 6.581 6.793 ( 5.026 -1.664 -2.322) 5.781 6.793 ( 5.026 1.664 -2.322) 5.781 6.891 ( -4.054 -1.988 -2.996) 5.419 6.891 ( -4.054 1.988 -2.996) 5.419 7.143 ( 3.901 -3.751 0.506) 5.436 7.143 ( 3.901 3.751 0.506) 5.436 7.216 ( -2.490 -4.609 1.162) 5.366 7.216 ( -2.490 4.609 1.162) 5.366 7.350 ( 1.728 -2.086 3.600) 4.505 7.350 ( 1.728 2.086 3.600) 4.505 7.408 ( -2.981 -2.279 4.299) 5.706 7.408 ( -2.981 2.279 4.299) 5.706 7.575 ( 5.374 -4.578 0.371) 7.070 7.575 ( 5.374 4.578 0.371) 7.070 7.685 ( -4.784 -4.461 0.379) 6.552 7.685 ( -4.784 4.461 0.379) 6.552 7.837 ( 2.624 -0.582 -0.245) 2.699 7.837 ( 2.624 0.582 -0.245) 2.699 7.883 ( 2.304 -1.974 0.028) 3.034 7.883 ( 2.304 1.974 0.028) 3.034 7.922 ( -1.388 -2.811 3.328) 4.572 7.922 ( -1.388 2.811 3.328) 4.572 8.007 ( -5.402 -1.154 2.157) 5.930 8.007 ( -5.402 1.154 2.157) 5.930 8.199 ( 1.271 -1.900 4.118) 4.710 8.199 ( 1.271 1.900 4.118) 4.710 8.243 ( -2.908 -1.682 3.870) 5.125 8.243 ( -2.908 1.682 3.870) 5.125 8.695 ( 6.346 -1.195 -2.075) 6.783 8.695 ( 6.346 1.195 -2.075) 6.783 8.764 ( 0.244 -1.284 -0.337) 1.349 8.764 ( 0.244 1.284 -0.337) 1.349 8.908 ( 5.798 -1.234 -2.680) 6.506 8.908 ( 5.798 1.234 -2.680) 6.506 9.029 ( -5.303 -2.792 -2.858) 6.640 9.029 ( -5.303 2.792 -2.858) 6.640 9.371 ( 4.759 -4.377 -1.828) 6.720 9.371 ( 4.759 4.377 -1.828) 6.720 9.435 ( -1.141 -3.901 0.180) 4.068 9.435 ( -1.141 3.901 0.180) 4.068 9.636 ( 0.866 -1.868 -6.097) 6.435 9.636 ( 0.866 1.868 -6.097) 6.435 9.672 ( -2.584 -1.946 -7.645) 8.301 9.672 ( -2.584 1.946 -7.645) 8.301 9.863 ( 6.026 -0.768 -0.880) 6.138 9.863 ( 6.026 0.768 -0.880) 6.138 10.035 ( -10.707 -2.903 2.737) 11.426 10.035 ( -10.707 2.903 2.737) 11.426 16.708 ( 0.221 -1.908 -1.639) 2.525 16.708 ( 0.221 1.908 -1.639) 2.525 16.715 ( -0.393 -1.720 -1.557) 2.353 16.715 ( -0.393 1.720 -1.557) 2.353 16.863 ( 2.697 -0.291 -1.498) 3.099 16.863 ( 2.697 0.291 -1.498) 3.099 16.911 ( -2.072 -0.567 -3.221) 3.871 16.911 ( -2.072 0.567 -3.221) 3.871 17.044 ( 2.515 -2.311 -1.115) 3.592 17.044 ( 2.515 2.311 -1.115) 3.592 17.083 ( -0.907 -2.079 0.416) 2.306 17.083 ( -0.907 2.079 0.416) 2.306 17.126 ( 2.902 -0.538 -1.173) 3.176 17.126 ( 2.902 0.538 -1.173) 3.176 17.204 ( -3.539 -1.879 -0.690) 4.066 17.204 ( -3.539 1.879 -0.690) 4.066 17.269 ( 0.376 -1.295 1.728) 2.192 17.269 ( 0.376 1.295 1.728) 2.192 17.278 ( -0.495 -0.057 1.780) 1.849 17.278 ( -0.495 0.057 1.780) 1.849 17.498 ( 1.950 -0.696 3.621) 4.172 17.498 ( 1.950 0.696 3.621) 4.172 17.544 ( -2.329 -0.913 3.697) 4.464 17.544 ( -2.329 0.913 3.697) 4.464 21.701 ( 0.695 -2.865 0.077) 2.949 21.701 ( 0.695 2.865 0.077) 2.949 21.711 ( -0.270 -3.407 0.003) 3.418 21.711 ( -0.270 3.407 0.003) 3.418 22.001 ( 2.062 -1.978 -0.208) 2.865 22.001 ( 2.062 1.978 -0.208) 2.865 22.047 ( -2.535 -2.171 -0.810) 3.435 22.047 ( -2.535 2.171 -0.810) 3.435 22.240 ( 0.678 -0.588 -0.611) 1.085 22.240 ( 0.678 0.588 -0.611) 1.085 22.249 ( -0.256 -0.463 -0.476) 0.712 22.249 ( -0.256 0.463 -0.476) 0.712 26.948 ( 1.172 -0.053 -0.309) 1.214 26.948 ( 1.172 0.053 -0.309) 1.214 26.961 ( 0.349 -0.009 0.066) 0.355 26.961 ( 0.349 0.009 0.066) 0.355 26.993 ( 0.035 -0.007 0.031) 0.047 26.993 ( 0.035 0.007 0.031) 0.047 27.014 ( -1.462 -0.121 0.683) 1.618 27.014 ( -1.462 0.121 0.683) 1.618 27.379 ( 0.645 -0.147 0.170) 0.683 27.379 ( 0.645 0.147 0.170) 0.683 27.402 ( -1.590 -0.100 0.474) 1.662 27.402 ( -1.590 0.100 0.474) 1.662 36.240 ( 3.937 -1.012 6.853) 7.968 36.240 ( 3.937 1.012 6.853) 7.968 36.329 ( -4.935 -0.708 11.017) 12.093 36.329 ( -4.935 0.708 11.017) 12.093 36.583 ( 6.958 -0.188 0.618) 6.988 36.583 ( 6.958 0.188 0.618) 6.988 36.691 ( -3.207 -0.480 2.679) 4.206 36.691 ( -3.207 0.480 2.679) 4.206 36.982 ( 0.887 -1.130 -2.381) 2.781 36.982 ( 0.887 1.130 -2.381) 2.781 37.008 ( -2.298 -4.478 -1.865) 5.368 37.008 ( -2.298 4.478 -1.865) 5.368 37.191 ( 2.239 -2.204 -2.278) 3.881 37.191 ( 2.239 2.204 -2.278) 3.881 37.345 ( -11.440 -3.084 -6.280) 13.410 37.345 ( -11.440 3.084 -6.280) 13.410 37.833 ( 7.190 -8.196 2.071) 11.098 37.833 ( 7.190 8.196 2.071) 11.098 37.984 ( -7.340 -9.845 -0.947) 12.317 37.984 ( -7.340 9.845 -0.947) 12.317 39.033 ( 8.837 -4.016 0.014) 9.707 39.033 ( 8.837 4.016 0.014) 9.707 39.148 ( -2.730 -5.877 -2.567) 6.971 39.148 ( -2.730 5.877 -2.567) 6.971 ======================= Grid point 70 (25/36) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 0.000 0.000 21.421) 21.421 1.065 ( 0.000 0.000 24.864) 24.864 1.339 ( 0.000 0.000 -6.568) 6.568 1.535 ( 0.000 0.000 -20.168) 20.168 1.786 ( 0.000 0.000 3.211) 3.211 1.809 ( 0.000 0.000 0.589) 0.589 1.966 ( 0.000 0.000 1.740) 1.740 1.985 ( 0.000 0.000 12.176) 12.176 2.082 ( 0.000 0.000 -7.582) 7.582 2.110 ( 0.000 0.000 0.694) 0.694 2.172 ( 0.000 0.000 11.456) 11.456 2.241 ( 0.000 0.000 1.254) 1.254 2.355 ( 0.000 0.000 1.772) 1.772 2.416 ( 0.000 0.000 -3.049) 3.049 2.476 ( 0.000 0.000 39.475) 39.475 2.526 ( 0.000 0.000 1.143) 1.143 2.558 ( 0.000 0.000 -2.461) 2.461 2.626 ( 0.000 0.000 2.940) 2.940 2.776 ( 0.000 0.000 0.844) 0.844 2.823 ( 0.000 0.000 -3.176) 3.176 2.829 ( 0.000 0.000 1.010) 1.010 2.865 ( 0.000 0.000 -3.999) 3.999 2.928 ( 0.000 0.000 7.890) 7.890 2.961 ( 0.000 0.000 -11.312) 11.312 3.073 ( 0.000 0.000 -3.698) 3.698 3.096 ( 0.000 0.000 -0.417) 0.417 3.131 ( 0.000 0.000 -4.901) 4.901 3.185 ( 0.000 0.000 1.560) 1.560 3.208 ( 0.000 0.000 1.741) 1.741 3.261 ( 0.000 0.000 -6.748) 6.748 3.287 ( 0.000 0.000 5.535) 5.535 3.299 ( 0.000 0.000 -2.511) 2.511 3.352 ( 0.000 0.000 -18.885) 18.885 3.397 ( 0.000 0.000 -3.283) 3.283 3.455 ( 0.000 0.000 1.334) 1.334 3.470 ( 0.000 0.000 -0.718) 0.718 3.478 ( 0.000 0.000 -2.679) 2.679 3.562 ( 0.000 0.000 -4.650) 4.650 3.576 ( 0.000 0.000 2.601) 2.601 3.692 ( 0.000 0.000 -16.927) 16.927 3.826 ( 0.000 0.000 0.084) 0.084 3.894 ( 0.000 0.000 -4.379) 4.379 3.973 ( 0.000 0.000 14.193) 14.193 4.009 ( 0.000 0.000 2.779) 2.779 4.048 ( 0.000 0.000 -0.211) 0.211 4.102 ( 0.000 0.000 2.225) 2.225 4.116 ( 0.000 0.000 0.501) 0.501 4.242 ( 0.000 0.000 8.980) 8.980 4.281 ( 0.000 0.000 -12.571) 12.571 4.353 ( 0.000 0.000 9.334) 9.334 4.360 ( 0.000 0.000 1.258) 1.258 4.391 ( 0.000 0.000 -5.990) 5.990 4.392 ( 0.000 0.000 -0.530) 0.530 4.593 ( 0.000 0.000 12.422) 12.422 4.609 ( 0.000 0.000 -15.327) 15.327 4.653 ( 0.000 0.000 4.769) 4.769 4.731 ( 0.000 0.000 -1.051) 1.051 4.744 ( 0.000 0.000 1.234) 1.234 4.841 ( 0.000 0.000 -0.956) 0.956 4.879 ( 0.000 0.000 0.025) 0.025 4.884 ( 0.000 0.000 0.471) 0.471 4.956 ( 0.000 0.000 -11.361) 11.361 5.116 ( 0.000 0.000 1.019) 1.019 5.170 ( 0.000 0.000 -3.735) 3.735 5.185 ( 0.000 0.000 4.449) 4.449 5.248 ( 0.000 0.000 -0.594) 0.594 5.261 ( 0.000 0.000 7.843) 7.843 5.315 ( 0.000 0.000 2.383) 2.383 5.443 ( 0.000 0.000 6.254) 6.254 5.523 ( 0.000 0.000 -2.225) 2.225 5.546 ( 0.000 0.000 2.443) 2.443 5.560 ( 0.000 0.000 -0.832) 0.832 5.624 ( 0.000 0.000 -7.514) 7.514 5.674 ( 0.000 0.000 -6.657) 6.657 5.773 ( 0.000 0.000 3.247) 3.247 5.796 ( 0.000 0.000 -0.002) 0.002 5.799 ( 0.000 0.000 0.480) 0.480 5.864 ( 0.000 0.000 -1.632) 1.632 5.879 ( 0.000 0.000 -1.183) 1.183 5.906 ( 0.000 0.000 -4.767) 4.767 5.981 ( 0.000 0.000 3.985) 3.985 6.019 ( 0.000 0.000 -1.483) 1.483 6.111 ( 0.000 0.000 2.152) 2.152 6.130 ( 0.000 0.000 -0.726) 0.726 6.321 ( 0.000 0.000 2.197) 2.197 6.327 ( 0.000 0.000 1.067) 1.067 6.347 ( 0.000 0.000 4.469) 4.469 6.366 ( 0.000 0.000 1.900) 1.900 6.370 ( 0.000 0.000 -0.509) 0.509 6.377 ( 0.000 0.000 -1.024) 1.024 6.524 ( 0.000 0.000 -0.404) 0.404 6.557 ( 0.000 0.000 -3.519) 3.519 6.635 ( 0.000 0.000 3.324) 3.324 6.639 ( 0.000 0.000 2.069) 2.069 6.666 ( 0.000 0.000 -0.408) 0.408 6.716 ( 0.000 0.000 -0.372) 0.372 6.784 ( 0.000 0.000 2.424) 2.424 6.803 ( 0.000 0.000 7.472) 7.472 6.937 ( 0.000 0.000 -5.187) 5.187 6.943 ( 0.000 0.000 -8.998) 8.998 7.138 ( 0.000 0.000 3.106) 3.106 7.182 ( 0.000 0.000 4.058) 4.058 7.194 ( 0.000 0.000 -1.192) 1.192 7.233 ( 0.000 0.000 5.734) 5.734 7.268 ( 0.000 0.000 -3.903) 3.903 7.328 ( 0.000 0.000 -3.195) 3.195 7.523 ( 0.000 0.000 6.117) 6.117 7.529 ( 0.000 0.000 4.936) 4.936 7.562 ( 0.000 0.000 2.470) 2.470 7.647 ( 0.000 0.000 -5.057) 5.057 7.749 ( 0.000 0.000 0.297) 0.297 7.758 ( 0.000 0.000 -0.381) 0.381 7.768 ( 0.000 0.000 2.154) 2.154 7.794 ( 0.000 0.000 0.314) 0.314 7.814 ( 0.000 0.000 -2.146) 2.146 7.816 ( 0.000 0.000 -1.807) 1.807 7.904 ( 0.000 0.000 7.180) 7.180 8.062 ( 0.000 0.000 -5.281) 5.281 8.121 ( 0.000 0.000 0.318) 0.318 8.130 ( 0.000 0.000 -3.894) 3.894 8.268 ( 0.000 0.000 1.411) 1.411 8.293 ( 0.000 0.000 -1.138) 1.138 8.299 ( 0.000 0.000 5.739) 5.739 8.369 ( 0.000 0.000 8.738) 8.738 8.482 ( 0.000 0.000 -9.470) 9.470 8.485 ( 0.000 0.000 -2.195) 2.195 8.539 ( 0.000 0.000 -1.160) 1.160 8.566 ( 0.000 0.000 -0.280) 0.280 8.588 ( 0.000 0.000 -0.861) 0.861 8.597 ( 0.000 0.000 -5.998) 5.998 8.887 ( 0.000 0.000 1.082) 1.082 8.889 ( 0.000 0.000 0.645) 0.645 9.178 ( 0.000 0.000 4.530) 4.530 9.305 ( 0.000 0.000 -6.614) 6.614 9.333 ( 0.000 0.000 4.243) 4.243 9.423 ( 0.000 0.000 -4.626) 4.626 9.488 ( 0.000 0.000 -1.632) 1.632 9.514 ( 0.000 0.000 4.855) 4.855 9.515 ( 0.000 0.000 -4.109) 4.109 9.637 ( 0.000 0.000 -6.766) 6.766 9.854 ( 0.000 0.000 5.800) 5.800 9.985 ( 0.000 0.000 -6.383) 6.383 10.577 ( 0.000 0.000 15.890) 15.890 10.898 ( 0.000 0.000 -14.970) 14.970 16.633 ( 0.000 0.000 -0.757) 0.757 16.657 ( 0.000 0.000 -3.449) 3.449 16.713 ( 0.000 0.000 0.010) 0.010 16.713 ( 0.000 0.000 -0.159) 0.159 16.759 ( 0.000 0.000 2.030) 2.030 16.772 ( 0.000 0.000 -1.332) 1.332 16.773 ( 0.000 0.000 -1.451) 1.451 16.828 ( 0.000 0.000 -4.473) 4.473 16.884 ( 0.000 0.000 2.092) 2.092 16.948 ( 0.000 0.000 -3.921) 3.921 17.046 ( 0.000 0.000 2.214) 2.214 17.091 ( 0.000 0.000 -1.982) 1.982 17.205 ( 0.000 0.000 2.454) 2.454 17.229 ( 0.000 0.000 1.510) 1.510 17.238 ( 0.000 0.000 0.749) 0.749 17.239 ( 0.000 0.000 -0.563) 0.563 17.328 ( 0.000 0.000 0.235) 0.235 17.337 ( 0.000 0.000 -0.862) 0.862 17.409 ( 0.000 0.000 2.266) 2.266 17.410 ( 0.000 0.000 1.909) 1.909 17.423 ( 0.000 0.000 0.810) 0.810 17.435 ( 0.000 0.000 -0.289) 0.289 17.683 ( 0.000 0.000 2.461) 2.461 17.691 ( 0.000 0.000 1.651) 1.651 21.629 ( 0.000 0.000 0.242) 0.242 21.634 ( 0.000 0.000 -0.178) 0.178 21.750 ( 0.000 0.000 0.069) 0.069 21.752 ( 0.000 0.000 -0.136) 0.136 21.908 ( 0.000 0.000 0.656) 0.656 21.925 ( 0.000 0.000 -0.972) 0.972 22.020 ( 0.000 0.000 2.105) 2.105 22.075 ( 0.000 0.000 -3.135) 3.135 22.202 ( 0.000 0.000 0.812) 0.812 22.203 ( 0.000 0.000 1.102) 1.102 22.220 ( 0.000 0.000 -0.860) 0.860 22.227 ( 0.000 0.000 -1.097) 1.097 26.867 ( 0.000 0.000 -0.622) 0.622 26.870 ( 0.000 0.000 -0.867) 0.867 26.889 ( 0.000 0.000 -0.539) 0.539 26.890 ( 0.000 0.000 -0.681) 0.681 27.077 ( 0.000 0.000 1.045) 1.045 27.080 ( 0.000 0.000 0.830) 0.830 27.080 ( 0.000 0.000 0.876) 0.876 27.082 ( 0.000 0.000 0.813) 0.813 27.383 ( 0.000 0.000 -0.228) 0.228 27.385 ( 0.000 0.000 -0.387) 0.387 27.511 ( 0.000 0.000 0.650) 0.650 27.519 ( 0.000 0.000 -0.146) 0.146 36.185 ( 0.000 0.000 2.873) 2.873 36.188 ( 0.000 0.000 3.687) 3.687 36.233 ( 0.000 0.000 -1.679) 1.679 36.262 ( 0.000 0.000 -3.292) 3.292 36.778 ( 0.000 0.000 2.434) 2.434 36.805 ( 0.000 0.000 0.551) 0.551 36.851 ( 0.000 0.000 7.705) 7.705 36.947 ( 0.000 0.000 -3.250) 3.250 37.058 ( 0.000 0.000 2.301) 2.301 37.106 ( 0.000 0.000 0.476) 0.476 37.168 ( 0.000 0.000 8.075) 8.075 37.274 ( 0.000 0.000 15.913) 15.913 37.303 ( 0.000 0.000 -5.674) 5.674 37.373 ( 0.000 0.000 1.941) 1.941 37.538 ( 0.000 0.000 -11.623) 11.623 37.638 ( 0.000 0.000 -16.355) 16.355 38.112 ( 0.000 0.000 1.557) 1.557 38.116 ( 0.000 0.000 0.575) 0.575 38.157 ( 0.000 0.000 0.007) 0.007 38.168 ( 0.000 0.000 -0.985) 0.985 38.291 ( 0.000 0.000 16.695) 16.695 38.641 ( 0.000 0.000 -13.325) 13.325 38.860 ( 0.000 0.000 6.167) 6.167 39.054 ( 0.000 0.000 -9.581) 9.581 ======================= Grid point 71 (26/36) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 7.713 0.000 18.248) 19.811 1.259 ( 14.297 0.000 22.152) 26.365 1.383 ( 4.109 0.000 -6.217) 7.452 1.680 ( 10.341 0.000 -17.659) 20.464 1.838 ( 5.301 0.000 3.482) 6.343 1.871 ( 5.802 0.000 1.453) 5.981 1.994 ( 1.973 0.000 12.417) 12.573 2.002 ( 3.720 0.000 1.213) 3.913 2.109 ( 2.597 0.000 -6.857) 7.332 2.182 ( 3.619 0.000 -2.356) 4.319 2.212 ( 6.412 0.000 7.564) 9.916 2.296 ( 6.410 0.000 1.886) 6.682 2.370 ( 1.277 0.000 1.362) 1.868 2.426 ( 0.988 0.000 -2.840) 3.007 2.510 ( -1.615 0.000 0.585) 1.717 2.539 ( -2.296 0.000 -2.955) 3.742 2.561 ( 8.412 0.000 26.098) 27.421 2.648 ( 0.352 0.000 5.290) 5.302 2.735 ( -3.052 0.000 2.132) 3.723 2.807 ( -1.458 0.000 -4.275) 4.517 2.807 ( 1.542 0.000 1.800) 2.370 2.870 ( 0.935 0.000 -2.703) 2.860 2.922 ( -0.969 0.000 9.235) 9.286 3.001 ( 4.477 0.000 -5.742) 7.281 3.045 ( -1.240 0.000 -1.946) 2.307 3.092 ( 1.148 0.000 -4.476) 4.621 3.159 ( -2.389 0.000 3.888) 4.563 3.178 ( -1.786 0.000 4.573) 4.909 3.232 ( 4.541 0.000 -5.390) 7.048 3.246 ( -1.581 0.000 -6.915) 7.093 3.301 ( 1.234 0.000 -3.253) 3.479 3.315 ( 1.689 0.000 2.533) 3.045 3.402 ( -1.970 0.000 -4.272) 4.705 3.431 ( 5.869 0.000 -7.382) 9.431 3.488 ( 5.077 0.000 2.293) 5.571 3.542 ( 5.160 0.000 -3.635) 6.311 3.545 ( 7.519 0.000 -3.123) 8.141 3.606 ( 0.816 0.000 -1.540) 1.743 3.636 ( 5.919 0.000 -5.640) 8.175 3.728 ( 3.792 0.000 -13.999) 14.503 3.848 ( 3.957 0.000 0.912) 4.061 3.903 ( -5.019 0.000 4.517) 6.753 3.925 ( 3.136 0.000 -5.229) 6.098 3.958 ( -6.919 0.000 -0.769) 6.961 4.022 ( 1.354 0.000 6.776) 6.910 4.095 ( 1.021 0.000 5.821) 5.910 4.157 ( -4.115 0.000 0.071) 4.116 4.180 ( 2.411 0.000 -3.317) 4.101 4.318 ( 0.546 0.000 2.053) 2.124 4.321 ( 0.160 0.000 5.802) 5.804 4.422 ( 1.687 0.000 0.769) 1.854 4.424 ( 0.954 0.000 -5.252) 5.338 4.455 ( 7.762 0.000 1.884) 7.987 4.576 ( -0.458 0.000 12.736) 12.744 4.680 ( 5.341 0.000 -12.431) 13.530 4.682 ( 1.778 0.000 4.106) 4.474 4.745 ( 0.118 0.000 3.223) 3.225 4.761 ( 2.216 0.000 1.959) 2.957 4.841 ( -1.425 0.000 1.985) 2.444 4.847 ( 4.025 0.000 -7.786) 8.764 4.888 ( -0.389 0.000 -1.880) 1.920 4.934 ( -3.445 0.000 -8.700) 9.357 5.081 ( -3.327 0.000 2.216) 3.997 5.141 ( -2.850 0.000 -1.681) 3.309 5.178 ( -0.714 0.000 3.127) 3.208 5.208 ( -1.169 0.000 5.938) 6.052 5.220 ( -2.454 0.000 0.178) 2.460 5.338 ( 1.604 0.000 -2.674) 3.118 5.409 ( -3.660 0.000 3.738) 5.232 5.461 ( -4.828 0.000 2.854) 5.609 5.496 ( -4.168 0.000 0.173) 4.171 5.505 ( -5.983 0.000 1.094) 6.082 5.608 ( -2.727 0.000 -3.197) 4.202 5.648 ( -2.634 0.000 -8.590) 8.985 5.758 ( -3.128 0.000 1.667) 3.544 5.767 ( -0.384 0.000 2.720) 2.747 5.812 ( -1.189 0.000 -2.735) 2.982 5.838 ( -0.541 0.000 -3.621) 3.661 5.916 ( 2.868 0.000 1.671) 3.320 5.978 ( 4.149 0.000 -4.057) 5.803 5.999 ( 0.069 0.000 3.150) 3.151 6.025 ( 1.607 0.000 2.029) 2.589 6.038 ( -4.719 0.000 2.203) 5.208 6.102 ( -1.900 0.000 -2.998) 3.550 6.322 ( 1.593 0.000 1.580) 2.244 6.346 ( 0.785 0.000 -0.579) 0.975 6.356 ( 0.287 0.000 4.488) 4.497 6.366 ( -0.028 0.000 2.648) 2.648 6.389 ( -0.090 0.000 1.239) 1.242 6.410 ( 0.254 0.000 -1.197) 1.223 6.473 ( -4.713 0.000 -0.766) 4.774 6.546 ( -1.359 0.000 -3.915) 4.144 6.605 ( -2.584 0.000 3.979) 4.744 6.616 ( -0.542 0.000 1.700) 1.784 6.645 ( -0.070 0.000 -0.758) 0.761 6.714 ( -1.455 0.000 -4.928) 5.139 6.804 ( 0.992 0.000 3.910) 4.034 6.858 ( 4.109 0.000 6.141) 7.389 6.914 ( -3.344 0.000 -5.306) 6.272 6.964 ( 2.033 0.000 -3.726) 4.244 7.150 ( -4.530 0.000 7.006) 8.343 7.173 ( 2.045 0.000 4.610) 5.043 7.208 ( 2.459 0.000 2.720) 3.667 7.258 ( 6.046 0.000 -2.056) 6.386 7.268 ( 0.139 0.000 -2.835) 2.839 7.288 ( -4.159 0.000 -4.880) 6.412 7.514 ( -0.859 0.000 5.901) 5.963 7.519 ( -2.304 0.000 3.063) 3.833 7.574 ( -1.719 0.000 -1.214) 2.105 7.632 ( -1.482 0.000 -4.318) 4.565 7.684 ( -2.428 0.000 2.600) 3.558 7.734 ( -1.558 0.000 0.802) 1.753 7.755 ( -0.906 0.000 -2.845) 2.986 7.767 ( 0.271 0.000 -1.612) 1.635 7.792 ( 0.416 0.000 0.459) 0.620 7.813 ( 0.219 0.000 -1.893) 1.906 7.941 ( 4.176 0.000 8.308) 9.299 8.122 ( 2.334 0.000 -1.741) 2.912 8.154 ( 3.420 0.000 0.771) 3.506 8.216 ( -4.905 0.000 1.601) 5.160 8.237 ( -3.924 0.000 0.372) 3.942 8.244 ( 8.650 0.000 -4.806) 9.895 8.367 ( 5.919 0.000 3.751) 7.007 8.375 ( -2.878 0.000 4.887) 5.671 8.459 ( -0.774 0.000 -2.666) 2.776 8.479 ( -2.637 0.000 -2.291) 3.494 8.533 ( 0.428 0.000 0.943) 1.036 8.599 ( 5.091 0.000 -4.348) 6.695 8.616 ( 4.437 0.000 0.096) 4.438 8.671 ( 5.725 0.000 -5.647) 8.042 8.902 ( 2.114 0.000 3.065) 3.724 8.966 ( 4.597 0.000 -3.270) 5.641 9.206 ( 2.093 0.000 3.395) 3.988 9.301 ( -1.391 0.000 0.046) 1.392 9.339 ( 1.545 0.000 -2.395) 2.850 9.421 ( -0.474 0.000 -6.432) 6.450 9.522 ( 3.626 0.000 -1.262) 3.839 9.524 ( 0.921 0.000 4.530) 4.623 9.548 ( 3.721 0.000 -3.745) 5.280 9.634 ( -0.276 0.000 -5.979) 5.986 9.808 ( -4.370 0.000 5.145) 6.750 9.927 ( -5.515 0.000 -5.889) 8.068 10.490 ( -8.365 0.000 13.546) 15.921 10.748 ( -13.752 0.000 -10.570) 17.345 16.636 ( 0.221 0.000 -0.608) 0.646 16.659 ( 0.128 0.000 -2.991) 2.994 16.737 ( 1.592 0.000 0.079) 1.594 16.750 ( 2.918 0.000 -0.754) 3.014 16.766 ( 0.613 0.000 1.394) 1.523 16.769 ( 0.579 0.000 0.058) 0.582 16.796 ( 2.389 0.000 -2.060) 3.154 16.827 ( -0.070 0.000 -4.300) 4.301 16.878 ( -0.375 0.000 1.350) 1.401 16.932 ( -1.283 0.000 -3.559) 3.783 17.039 ( -0.343 0.000 1.462) 1.501 17.070 ( -1.148 0.000 -1.523) 1.908 17.204 ( -2.498 0.000 1.411) 2.869 17.213 ( 0.859 0.000 2.419) 2.567 17.222 ( -1.347 0.000 -0.285) 1.377 17.245 ( 0.683 0.000 -0.421) 0.802 17.317 ( -0.955 0.000 1.681) 1.933 17.345 ( 0.062 0.000 -0.909) 0.911 17.396 ( -1.320 0.000 1.955) 2.359 17.411 ( -1.179 0.000 0.708) 1.375 17.425 ( 1.332 0.000 2.087) 2.475 17.447 ( 1.035 0.000 -0.040) 1.036 17.675 ( -0.691 0.000 2.561) 2.652 17.685 ( -0.619 0.000 1.523) 1.644 21.632 ( 0.217 0.000 0.203) 0.297 21.635 ( 0.130 0.000 -0.122) 0.178 21.757 ( 1.182 0.000 1.122) 1.630 21.790 ( 2.470 0.000 -2.333) 3.398 21.911 ( 0.285 0.000 0.710) 0.765 21.929 ( 0.349 0.000 -1.036) 1.093 22.020 ( 0.006 0.000 2.169) 2.169 22.076 ( -0.016 0.000 -3.242) 3.242 22.203 ( 0.150 0.000 0.974) 0.985 22.209 ( 0.550 0.000 1.008) 1.148 22.223 ( 0.203 0.000 -0.877) 0.901 22.231 ( 0.391 0.000 -1.083) 1.152 26.878 ( 1.086 0.000 -0.536) 1.211 26.881 ( 1.077 0.000 -0.779) 1.329 26.899 ( 0.943 0.000 -0.475) 1.055 26.900 ( 0.941 0.000 -0.579) 1.105 27.066 ( -1.028 0.000 0.988) 1.425 27.070 ( -0.982 0.000 0.909) 1.338 27.071 ( -0.932 0.000 0.543) 1.079 27.072 ( -0.977 0.000 0.733) 1.222 27.378 ( -0.359 0.000 -0.099) 0.373 27.381 ( -0.295 0.000 -0.375) 0.477 27.493 ( -1.645 0.000 0.607) 1.754 27.500 ( -1.793 0.000 -0.030) 1.793 36.202 ( 1.911 0.000 3.586) 4.063 36.216 ( 2.832 0.000 4.226) 5.087 36.263 ( 3.141 0.000 -2.136) 3.798 36.299 ( 3.622 0.000 -3.500) 5.036 36.779 ( -0.044 0.000 3.049) 3.050 36.810 ( 0.682 0.000 0.694) 0.973 36.837 ( -1.669 0.000 8.293) 8.459 36.917 ( -2.597 0.000 -1.835) 3.179 37.024 ( -2.608 0.000 3.732) 4.553 37.051 ( -9.074 0.000 9.364) 13.040 37.100 ( -2.178 0.000 -1.450) 2.616 37.209 ( -2.072 0.000 -2.802) 3.485 37.313 ( -5.939 0.000 1.359) 6.093 37.392 ( -12.684 0.000 -3.831) 13.250 37.452 ( 7.375 0.000 4.033) 8.406 37.639 ( 0.437 0.000 -11.753) 11.762 37.803 ( -19.326 0.000 8.026) 20.927 37.928 ( -17.582 0.000 -3.524) 17.932 38.089 ( -3.202 0.000 4.278) 5.343 38.182 ( 2.147 0.000 -4.937) 5.383 38.545 ( 14.221 0.000 7.253) 15.964 38.715 ( 7.911 0.000 -6.044) 9.956 38.908 ( 4.535 0.000 7.496) 8.761 39.140 ( 4.937 0.000 -13.419) 14.299 ======================= Grid point 72 (27/36) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 10.933 0.000 11.676) 15.995 1.487 ( 5.763 0.000 -4.430) 7.269 1.501 ( 10.149 0.000 18.147) 20.793 1.822 ( 4.270 0.000 -9.125) 10.075 1.963 ( 6.659 0.000 4.760) 8.186 2.037 ( 10.004 0.000 -1.119) 10.066 2.061 ( 3.545 0.000 1.794) 3.973 2.104 ( 5.894 0.000 2.916) 6.576 2.147 ( -5.969 0.000 -2.707) 6.554 2.190 ( 6.223 0.000 -3.608) 7.193 2.369 ( -3.123 0.000 1.807) 3.608 2.403 ( 9.883 0.000 2.773) 10.265 2.436 ( 4.032 0.000 2.767) 4.890 2.443 ( 0.197 0.000 -3.309) 3.314 2.448 ( -6.261 0.000 -1.098) 6.357 2.494 ( 1.306 0.000 -3.577) 3.808 2.683 ( 5.413 0.000 3.148) 6.261 2.699 ( -0.232 0.000 2.135) 2.148 2.730 ( 4.859 0.000 -2.661) 5.540 2.758 ( -3.954 0.000 -2.564) 4.713 2.888 ( -2.005 0.000 8.130) 8.373 2.913 ( 8.066 0.000 7.727) 11.170 3.015 ( 6.513 0.000 9.254) 11.317 3.057 ( 8.907 0.000 -2.898) 9.367 3.076 ( -3.262 0.000 -6.276) 7.073 3.122 ( 6.681 0.000 1.529) 6.854 3.124 ( -1.540 0.000 2.490) 2.927 3.141 ( -0.475 0.000 3.462) 3.494 3.184 ( -3.660 0.000 -3.367) 4.973 3.278 ( 2.132 0.000 -11.586) 11.780 3.327 ( -0.872 0.000 -1.396) 1.646 3.344 ( -3.056 0.000 -1.297) 3.320 3.385 ( 4.969 0.000 3.859) 6.292 3.504 ( 0.771 0.000 2.962) 3.061 3.575 ( -2.154 0.000 -3.113) 3.785 3.591 ( 2.818 0.000 2.514) 3.776 3.645 ( 2.050 0.000 -4.125) 4.607 3.656 ( 1.041 0.000 -7.711) 7.781 3.779 ( 7.178 0.000 -2.295) 7.536 3.825 ( 8.757 0.000 -9.968) 13.268 3.834 ( 1.705 0.000 3.204) 3.629 3.888 ( 1.282 0.000 -1.987) 2.364 3.983 ( 5.155 0.000 1.007) 5.253 4.030 ( 5.479 0.000 -2.780) 6.144 4.079 ( 2.179 0.000 3.503) 4.125 4.115 ( 1.975 0.000 5.605) 5.943 4.127 ( 3.517 0.000 0.149) 3.520 4.204 ( 5.089 0.000 -3.984) 6.463 4.301 ( -1.842 0.000 4.101) 4.495 4.388 ( 3.126 0.000 2.160) 3.800 4.399 ( -3.139 0.000 -2.536) 4.036 4.451 ( 1.684 0.000 -3.025) 3.463 4.576 ( 0.600 0.000 11.891) 11.906 4.608 ( 5.896 0.000 6.143) 8.514 4.695 ( -1.492 0.000 1.346) 2.009 4.702 ( -3.368 0.000 0.544) 3.412 4.738 ( 0.817 0.000 3.104) 3.210 4.821 ( 0.808 0.000 -4.436) 4.509 4.887 ( 0.933 0.000 -2.096) 2.294 4.900 ( 5.575 0.000 -5.602) 7.903 4.935 ( 7.142 0.000 -0.326) 7.149 4.971 ( 4.821 0.000 -1.486) 5.045 5.032 ( 0.600 0.000 0.411) 0.727 5.103 ( -0.732 0.000 -2.375) 2.485 5.146 ( -3.162 0.000 2.752) 4.192 5.175 ( -1.726 0.000 0.198) 1.737 5.204 ( 0.404 0.000 4.439) 4.458 5.306 ( -4.565 0.000 3.290) 5.627 5.326 ( -7.011 0.000 -2.787) 7.545 5.381 ( -4.391 0.000 -5.176) 6.788 5.385 ( -0.732 0.000 0.572) 0.928 5.410 ( -2.664 0.000 7.506) 7.965 5.495 ( -7.826 0.000 -0.979) 7.887 5.577 ( -4.519 0.000 -7.746) 8.968 5.635 ( -9.974 0.000 1.880) 10.150 5.693 ( -9.205 0.000 -3.375) 9.805 5.775 ( 1.502 0.000 1.880) 2.406 5.842 ( 0.916 0.000 -3.733) 3.844 5.936 ( -3.350 0.000 1.617) 3.720 5.958 ( 0.585 0.000 2.020) 2.103 6.012 ( 1.905 0.000 -5.873) 6.174 6.018 ( -0.681 0.000 -3.636) 3.700 6.109 ( 1.429 0.000 3.176) 3.483 6.115 ( 4.945 0.000 2.808) 5.686 6.274 ( -7.190 0.000 1.475) 7.340 6.333 ( -2.089 0.000 2.679) 3.397 6.335 ( -8.197 0.000 -3.677) 8.984 6.346 ( -0.430 0.000 1.568) 1.626 6.387 ( 3.189 0.000 0.306) 3.204 6.416 ( 2.206 0.000 -1.902) 2.913 6.420 ( 2.272 0.000 3.695) 4.337 6.499 ( -1.447 0.000 -2.436) 2.833 6.544 ( -4.043 0.000 4.200) 5.829 6.638 ( -5.657 0.000 -5.038) 7.575 6.647 ( 2.938 0.000 1.397) 3.253 6.681 ( 2.890 0.000 -1.889) 3.452 6.784 ( -4.423 0.000 2.343) 5.005 6.831 ( -3.583 0.000 -2.020) 4.113 6.927 ( 2.120 0.000 4.134) 4.646 6.990 ( 0.166 0.000 -1.820) 1.828 7.053 ( -2.908 0.000 2.498) 3.833 7.154 ( -6.558 0.000 -6.475) 9.216 7.270 ( 3.350 0.000 0.833) 3.452 7.280 ( 3.867 0.000 8.477) 9.317 7.283 ( 1.968 0.000 -0.202) 1.978 7.415 ( 3.774 0.000 -3.782) 5.343 7.451 ( 2.183 0.000 2.727) 3.494 7.489 ( -1.670 0.000 4.913) 5.189 7.492 ( -2.616 0.000 -0.413) 2.648 7.586 ( -3.221 0.000 -3.414) 4.693 7.697 ( -1.464 0.000 2.093) 2.554 7.742 ( 3.363 0.000 3.589) 4.918 7.762 ( -0.672 0.000 -3.243) 3.312 7.791 ( 4.528 0.000 -0.139) 4.530 7.816 ( 1.743 0.000 0.500) 1.814 7.834 ( 1.637 0.000 -1.320) 2.103 8.035 ( 2.897 0.000 6.241) 6.880 8.097 ( -6.299 0.000 1.793) 6.549 8.132 ( -6.806 0.000 -1.679) 7.010 8.146 ( -0.960 0.000 -0.617) 1.141 8.231 ( 4.110 0.000 5.382) 6.772 8.305 ( -2.250 0.000 5.826) 6.245 8.346 ( 0.538 0.000 -0.322) 0.627 8.386 ( -4.042 0.000 -1.626) 4.357 8.494 ( 7.211 0.000 -0.602) 7.236 8.525 ( 7.588 0.000 -3.838) 8.504 8.644 ( 7.260 0.000 1.870) 7.497 8.703 ( 3.789 0.000 -0.377) 3.808 8.713 ( 5.880 0.000 -4.299) 7.284 8.778 ( 4.822 0.000 -5.598) 7.389 8.938 ( 1.166 0.000 3.462) 3.653 9.029 ( 1.205 0.000 -5.143) 5.282 9.236 ( 0.684 0.000 1.156) 1.343 9.262 ( -1.753 0.000 1.664) 2.417 9.381 ( 2.220 0.000 -5.120) 5.580 9.407 ( -0.485 0.000 -7.888) 7.903 9.547 ( 1.249 0.000 3.538) 3.752 9.624 ( -0.778 0.000 -3.710) 3.791 9.627 ( 6.772 0.000 -0.185) 6.774 9.658 ( 6.845 0.000 -3.190) 7.552 9.705 ( -5.166 0.000 3.115) 6.032 9.793 ( -7.186 0.000 -4.795) 8.638 10.272 ( -12.771 0.000 8.406) 15.290 10.422 ( -17.779 0.000 -5.254) 18.539 16.642 ( 0.425 0.000 -0.411) 0.592 16.660 ( -0.002 0.000 -1.986) 1.986 16.750 ( -0.118 0.000 -0.332) 0.353 16.759 ( -0.352 0.000 -1.243) 1.292 16.782 ( 0.923 0.000 -0.047) 0.924 16.824 ( -0.284 0.000 -3.768) 3.778 16.829 ( 2.154 0.000 0.963) 2.360 16.855 ( 2.030 0.000 -1.935) 2.805 16.897 ( 2.995 0.000 0.438) 3.027 16.935 ( 3.352 0.000 -2.654) 4.276 17.044 ( 1.130 0.000 0.383) 1.193 17.064 ( 0.368 0.000 -1.441) 1.488 17.150 ( -2.501 0.000 1.624) 2.982 17.186 ( -2.222 0.000 -1.800) 2.859 17.237 ( 1.540 0.000 2.337) 2.799 17.265 ( 1.293 0.000 -0.098) 1.297 17.277 ( -3.232 0.000 2.841) 4.303 17.319 ( -2.884 0.000 -1.128) 3.096 17.362 ( -2.027 0.000 2.045) 2.879 17.379 ( -1.862 0.000 0.490) 1.925 17.462 ( 2.369 0.000 1.986) 3.092 17.474 ( 1.737 0.000 0.719) 1.880 17.657 ( -1.229 0.000 2.404) 2.700 17.666 ( -1.313 0.000 1.462) 1.965 21.637 ( 0.266 0.000 0.127) 0.294 21.638 ( 0.183 0.000 -0.024) 0.185 21.786 ( 1.539 0.000 1.320) 2.028 21.826 ( 0.967 0.000 -2.706) 2.874 21.919 ( 0.499 0.000 0.719) 0.875 21.936 ( 0.230 0.000 -0.840) 0.870 22.023 ( 0.409 0.000 1.734) 1.782 22.071 ( -0.555 0.000 -2.767) 2.822 22.209 ( 0.469 0.000 0.826) 0.950 22.223 ( 0.836 0.000 0.491) 0.970 22.226 ( 0.115 0.000 -0.762) 0.771 22.239 ( 0.369 0.000 -0.925) 0.996 26.908 ( 1.886 0.000 -0.311) 1.911 26.911 ( 1.849 0.000 -0.517) 1.920 26.924 ( 1.585 0.000 -0.291) 1.611 26.926 ( 1.613 0.000 -0.400) 1.662 27.040 ( -1.535 0.000 0.744) 1.706 27.043 ( -1.699 0.000 0.678) 1.829 27.045 ( -1.721 0.000 0.529) 1.801 27.045 ( -1.557 0.000 0.229) 1.573 27.374 ( 0.037 0.000 0.097) 0.104 27.377 ( 0.016 0.000 -0.223) 0.224 27.453 ( -2.209 0.000 0.454) 2.255 27.457 ( -2.362 0.000 0.156) 2.367 36.269 ( 4.988 0.000 5.643) 7.531 36.298 ( 5.401 0.000 5.775) 7.907 36.364 ( 7.113 0.000 -3.231) 7.812 36.401 ( 6.510 0.000 -3.766) 7.521 36.759 ( -6.589 0.000 11.716) 13.442 36.766 ( -2.353 0.000 6.485) 6.899 36.837 ( 2.013 0.000 0.371) 2.046 36.847 ( -5.688 0.000 -0.204) 5.692 36.918 ( -1.958 0.000 3.336) 3.868 36.942 ( -11.335 0.000 6.091) 12.868 36.973 ( -3.733 0.000 3.496) 5.114 37.135 ( -5.400 0.000 -11.673) 12.862 37.170 ( -7.651 0.000 -1.367) 7.773 37.194 ( -4.290 0.000 -3.372) 5.457 37.475 ( -13.988 0.000 1.452) 14.063 37.558 ( -17.849 0.000 -5.875) 18.791 37.572 ( 4.810 0.000 3.877) 6.178 37.662 ( 1.505 0.000 -4.654) 4.891 38.057 ( 0.172 0.000 6.929) 6.931 38.197 ( -0.935 0.000 -6.467) 6.534 38.802 ( 11.311 0.000 4.218) 12.072 38.893 ( 8.526 0.000 -3.678) 9.286 39.020 ( 6.095 0.000 6.240) 8.723 39.198 ( 1.203 0.000 -10.443) 10.512 ======================= Grid point 73 (28/36) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 7.690 0.000 4.860) 9.097 1.569 ( 1.202 0.000 -1.092) 1.624 1.689 ( 9.196 0.000 9.373) 13.131 1.844 ( -4.281 0.000 -3.035) 5.248 2.037 ( -0.399 0.000 -1.146) 1.213 2.088 ( -2.340 0.000 -6.558) 6.963 2.097 ( 6.815 0.000 3.248) 7.550 2.167 ( 4.229 0.000 -1.220) 4.401 2.234 ( -2.439 0.000 4.423) 5.051 2.280 ( -2.148 0.000 5.829) 6.212 2.303 ( 2.197 0.000 0.515) 2.257 2.370 ( 5.573 0.000 0.891) 5.644 2.431 ( -0.975 0.000 -5.065) 5.158 2.508 ( 5.055 0.000 8.580) 9.959 2.531 ( -1.852 0.000 -6.114) 6.388 2.556 ( 3.629 0.000 3.924) 5.345 2.657 ( -1.108 0.000 -0.905) 1.430 2.712 ( -1.550 0.000 -4.394) 4.659 2.730 ( -0.714 0.000 -0.474) 0.857 2.756 ( -1.454 0.000 -4.771) 4.987 2.864 ( 0.904 0.000 4.710) 4.796 2.958 ( -7.264 0.000 -4.816) 8.715 3.034 ( 4.490 0.000 4.588) 6.419 3.081 ( 1.310 0.000 1.477) 1.974 3.103 ( 0.478 0.000 1.653) 1.721 3.134 ( -2.063 0.000 -1.302) 2.440 3.144 ( 1.361 0.000 0.652) 1.509 3.169 ( -0.165 0.000 -2.037) 2.043 3.296 ( -1.223 0.000 -0.219) 1.242 3.298 ( -1.422 0.000 -0.526) 1.517 3.334 ( 9.515 0.000 -4.066) 10.348 3.380 ( 6.102 0.000 -9.235) 11.069 3.444 ( 1.631 0.000 7.321) 7.500 3.494 ( -2.818 0.000 2.263) 3.614 3.561 ( 1.739 0.000 -0.581) 1.833 3.605 ( -0.074 0.000 -0.290) 0.300 3.618 ( -1.730 0.000 -1.944) 2.602 3.626 ( -3.326 0.000 -6.087) 6.936 3.881 ( 1.003 0.000 0.700) 1.223 3.896 ( -1.722 0.000 0.806) 1.901 3.965 ( 6.132 0.000 1.884) 6.415 3.981 ( 8.374 0.000 0.585) 8.394 4.065 ( -3.208 0.000 5.407) 6.287 4.099 ( 8.225 0.000 1.329) 8.331 4.144 ( -6.232 0.000 -2.162) 6.596 4.156 ( 11.981 0.000 -3.598) 12.510 4.218 ( 2.567 0.000 5.629) 6.187 4.344 ( 0.500 0.000 -6.964) 6.982 4.383 ( 10.839 0.000 -0.593) 10.856 4.391 ( 4.408 0.000 -0.693) 4.462 4.407 ( 1.893 0.000 2.887) 3.452 4.456 ( -0.654 0.000 0.816) 1.046 4.574 ( -7.280 0.000 3.663) 8.150 4.598 ( 2.144 0.000 6.412) 6.761 4.630 ( -6.284 0.000 -1.575) 6.478 4.647 ( -1.866 0.000 1.825) 2.610 4.777 ( 0.359 0.000 3.601) 3.619 4.809 ( -1.841 0.000 0.960) 2.076 4.913 ( 3.264 0.000 4.913) 5.899 4.960 ( -2.699 0.000 2.816) 3.900 4.997 ( 0.839 0.000 0.201) 0.863 5.002 ( -2.025 0.000 0.617) 2.117 5.053 ( -2.155 0.000 1.335) 2.535 5.106 ( 4.996 0.000 2.675) 5.667 5.122 ( -4.026 0.000 -2.571) 4.777 5.170 ( 3.702 0.000 -0.047) 3.703 5.193 ( -1.856 0.000 0.868) 2.049 5.247 ( 0.065 0.000 -2.465) 2.466 5.309 ( 3.447 0.000 1.210) 3.653 5.337 ( -0.051 0.000 -2.057) 2.057 5.347 ( 0.542 0.000 2.828) 2.880 5.381 ( 0.363 0.000 2.992) 3.014 5.427 ( -8.553 0.000 0.930) 8.603 5.454 ( 2.574 0.000 -7.123) 7.574 5.470 ( -6.156 0.000 -4.126) 7.411 5.531 ( -5.937 0.000 -8.363) 10.256 5.827 ( 3.367 0.000 1.251) 3.592 5.867 ( 0.718 0.000 -0.831) 1.098 5.906 ( 1.127 0.000 4.786) 4.917 5.939 ( -1.307 0.000 -1.559) 2.034 5.969 ( -3.230 0.000 -3.320) 4.632 6.018 ( -9.048 0.000 4.274) 10.006 6.051 ( 2.133 0.000 -8.005) 8.284 6.134 ( -6.503 0.000 -5.470) 8.497 6.235 ( 6.745 0.000 2.298) 7.125 6.274 ( 3.447 0.000 -1.542) 3.776 6.315 ( 0.274 0.000 2.703) 2.717 6.330 ( -0.901 0.000 1.606) 1.841 6.398 ( -5.422 0.000 3.842) 6.646 6.430 ( -7.061 0.000 0.706) 7.096 6.448 ( 2.324 0.000 -0.422) 2.362 6.461 ( 1.160 0.000 -1.457) 1.862 6.548 ( 4.781 0.000 0.516) 4.808 6.579 ( 1.999 0.000 -2.384) 3.111 6.687 ( -4.061 0.000 0.110) 4.062 6.711 ( 2.892 0.000 0.741) 2.986 6.725 ( -6.726 0.000 -3.309) 7.496 6.730 ( 1.305 0.000 -1.144) 1.736 6.941 ( 0.125 0.000 1.373) 1.379 6.965 ( -2.139 0.000 -0.942) 2.337 7.040 ( 1.107 0.000 -0.203) 1.126 7.073 ( -2.118 0.000 -3.391) 3.998 7.287 ( 0.057 0.000 5.150) 5.151 7.327 ( 3.061 0.000 2.755) 4.118 7.341 ( -4.917 0.000 0.463) 4.939 7.351 ( 2.516 0.000 0.687) 2.608 7.454 ( -0.670 0.000 2.683) 2.765 7.508 ( -4.350 0.000 -2.018) 4.795 7.548 ( 5.320 0.000 3.773) 6.523 7.585 ( 2.691 0.000 0.308) 2.708 7.697 ( 1.498 0.000 0.363) 1.541 7.738 ( -1.948 0.000 -3.283) 3.817 7.829 ( 6.949 0.000 6.172) 9.294 7.849 ( 1.373 0.000 0.994) 1.695 7.860 ( 0.542 0.000 -0.030) 0.543 7.897 ( 4.849 0.000 0.656) 4.893 7.999 ( -2.566 0.000 0.836) 2.698 8.008 ( -4.258 0.000 4.020) 5.856 8.015 ( -3.879 0.000 -0.484) 3.909 8.063 ( -6.534 0.000 -0.073) 6.535 8.293 ( 0.636 0.000 3.530) 3.587 8.303 ( 2.785 0.000 5.724) 6.365 8.323 ( -2.377 0.000 0.650) 2.464 8.338 ( -0.870 0.000 3.986) 4.080 8.626 ( 5.413 0.000 -2.899) 6.140 8.662 ( 3.154 0.000 -7.552) 8.185 8.769 ( 3.697 0.000 2.767) 4.618 8.777 ( 5.230 0.000 0.167) 5.232 8.808 ( 2.686 0.000 -2.485) 3.659 8.828 ( -0.619 0.000 -2.440) 2.517 8.952 ( 1.101 0.000 1.303) 1.706 9.007 ( -3.134 0.000 -3.656) 4.815 9.234 ( 0.155 0.000 -2.931) 2.936 9.247 ( -0.655 0.000 -1.958) 2.065 9.411 ( 1.110 0.000 -5.551) 5.661 9.419 ( 0.776 0.000 -4.549) 4.615 9.570 ( 1.116 0.000 1.997) 2.287 9.598 ( -1.716 0.000 0.282) 1.739 9.643 ( -0.665 0.000 -1.339) 1.495 9.675 ( -4.028 0.000 -3.233) 5.165 9.796 ( 10.345 0.000 -0.147) 10.346 9.810 ( 8.961 0.000 -1.429) 9.074 10.018 ( -11.940 0.000 2.944) 12.297 10.080 ( -15.998 0.000 -2.527) 16.197 16.651 ( 0.426 0.000 -0.520) 0.672 16.658 ( -0.239 0.000 -1.059) 1.086 16.746 ( -0.073 0.000 -0.573) 0.577 16.750 ( -0.430 0.000 -0.926) 1.021 16.800 ( 0.881 0.000 -1.576) 1.805 16.815 ( -0.614 0.000 -2.854) 2.919 16.850 ( 0.737 0.000 -0.635) 0.972 16.862 ( -0.419 0.000 -1.925) 1.970 16.980 ( 4.026 0.000 1.839) 4.426 17.025 ( 1.925 0.000 -1.716) 2.579 17.066 ( 1.265 0.000 1.159) 1.716 17.088 ( 2.880 0.000 -1.123) 3.092 17.131 ( -0.496 0.000 -0.665) 0.829 17.142 ( -0.801 0.000 -1.723) 1.900 17.200 ( -3.370 0.000 2.246) 4.050 17.239 ( -4.661 0.000 -1.261) 4.828 17.272 ( 1.878 0.000 2.218) 2.906 17.293 ( 1.008 0.000 0.561) 1.153 17.323 ( -1.379 0.000 1.749) 2.228 17.341 ( -1.929 0.000 0.337) 1.958 17.508 ( 1.770 0.000 1.656) 2.424 17.510 ( 1.471 0.000 1.492) 2.095 17.630 ( -1.033 0.000 2.171) 2.404 17.636 ( -1.439 0.000 1.628) 2.173 21.641 ( 0.124 0.000 0.071) 0.143 21.641 ( 0.080 0.000 0.035) 0.088 21.813 ( 1.165 0.000 0.437) 1.244 21.830 ( -0.446 0.000 -1.178) 1.260 21.929 ( 0.480 0.000 0.470) 0.672 21.936 ( -0.188 0.000 -0.143) 0.236 22.036 ( 0.865 0.000 0.335) 0.927 22.055 ( -0.946 0.000 -1.382) 1.675 22.219 ( 0.467 0.000 0.199) 0.508 22.226 ( -0.174 0.000 -0.398) 0.435 22.238 ( 0.532 0.000 -0.137) 0.550 22.243 ( -0.016 0.000 -0.604) 0.604 26.948 ( 1.874 0.000 -0.001) 1.874 26.949 ( 1.798 0.000 -0.120) 1.802 26.957 ( 1.489 0.000 -0.022) 1.489 26.959 ( 1.455 0.000 -0.165) 1.464 27.007 ( -1.737 0.000 0.316) 1.766 27.008 ( -1.775 0.000 0.224) 1.789 27.009 ( -1.322 0.000 0.346) 1.367 27.013 ( -1.543 0.000 0.022) 1.543 27.383 ( 0.969 0.000 0.247) 1.000 27.386 ( 0.911 0.000 -0.006) 0.911 27.412 ( -1.868 0.000 0.329) 1.896 27.414 ( -1.843 0.000 0.169) 1.851 36.403 ( 8.546 0.000 8.908) 12.344 36.426 ( 7.294 0.000 7.929) 10.774 36.532 ( 3.616 0.000 -0.433) 3.642 36.540 ( 10.054 0.000 -3.601) 10.680 36.606 ( -11.097 0.000 11.771) 16.177 36.616 ( -4.159 0.000 8.666) 9.612 36.717 ( -7.141 0.000 -0.258) 7.146 36.748 ( -9.475 0.000 -0.748) 9.504 36.889 ( 2.868 0.000 2.488) 3.797 36.933 ( -1.028 0.000 0.035) 1.029 36.936 ( 2.791 0.000 -3.744) 4.670 37.020 ( -5.503 0.000 -10.413) 11.778 37.089 ( 1.064 0.000 -0.420) 1.144 37.172 ( 1.654 0.000 -5.563) 5.803 37.224 ( -10.977 0.000 -0.410) 10.985 37.281 ( -9.333 0.000 -5.256) 10.711 37.647 ( 2.749 0.000 2.225) 3.536 37.678 ( -0.267 0.000 -0.738) 0.785 38.089 ( 2.751 0.000 3.503) 4.454 38.152 ( -3.157 0.000 -2.438) 3.989 38.973 ( 5.538 0.000 1.597) 5.764 39.008 ( 2.235 0.000 -1.620) 2.761 39.130 ( 4.682 0.000 1.392) 4.884 39.194 ( -1.690 0.000 -4.721) 5.014 ======================= Grid point 77 (29/36) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 0.000 4.361 18.803) 19.302 1.214 ( 0.000 15.233 16.061) 22.136 1.429 ( 0.000 -6.265 -6.607) 9.105 1.505 ( 0.000 15.562 -4.344) 16.157 1.793 ( 0.000 0.208 3.765) 3.770 1.851 ( 0.000 -2.910 2.733) 3.992 1.865 ( 0.000 -10.028 4.726) 11.086 1.939 ( 0.000 0.845 -3.103) 3.216 2.136 ( 0.000 2.620 -0.979) 2.797 2.141 ( 0.000 -4.316 0.047) 4.316 2.165 ( 0.000 -0.135 7.235) 7.236 2.185 ( 0.000 5.483 -3.398) 6.450 2.409 ( 0.000 -4.370 4.580) 6.330 2.419 ( 0.000 2.895 1.054) 3.081 2.481 ( 0.000 -0.392 4.500) 4.517 2.495 ( 0.000 -0.337 -2.812) 2.832 2.581 ( 0.000 6.001 22.830) 23.606 2.621 ( 0.000 -4.063 2.516) 4.779 2.781 ( 0.000 -0.228 5.248) 5.253 2.802 ( 0.000 -1.414 0.565) 1.523 2.855 ( 0.000 2.129 -0.852) 2.293 2.858 ( 0.000 -0.276 -2.757) 2.770 2.925 ( 0.000 -1.958 -1.303) 2.352 3.021 ( 0.000 6.715 -6.851) 9.593 3.035 ( 0.000 -2.188 -2.921) 3.650 3.039 ( 0.000 -0.127 7.456) 7.457 3.126 ( 0.000 -0.345 -4.392) 4.405 3.207 ( 0.000 -2.367 -3.078) 3.883 3.217 ( 0.000 -1.177 -1.118) 1.623 3.255 ( 0.000 -0.578 -2.797) 2.856 3.299 ( 0.000 0.154 -0.799) 0.814 3.309 ( 0.000 -3.325 -6.558) 7.353 3.358 ( 0.000 7.916 3.270) 8.565 3.422 ( 0.000 2.546 -4.453) 5.129 3.470 ( 0.000 0.941 -2.544) 2.713 3.518 ( 0.000 4.619 2.816) 5.410 3.520 ( 0.000 -2.459 1.293) 2.779 3.598 ( 0.000 6.802 -3.931) 7.856 3.614 ( 0.000 3.797 2.003) 4.293 3.727 ( 0.000 3.840 -16.396) 16.839 3.737 ( 0.000 -5.800 -0.994) 5.885 3.808 ( 0.000 -6.837 -2.514) 7.285 3.829 ( 0.000 -9.117 3.611) 9.806 4.012 ( 0.000 -3.370 2.579) 4.243 4.056 ( 0.000 -1.548 -1.818) 2.388 4.128 ( 0.000 3.963 4.654) 6.113 4.154 ( 0.000 -10.912 -17.426) 20.560 4.169 ( 0.000 2.718 0.392) 2.746 4.225 ( 0.000 0.168 6.919) 6.921 4.275 ( 0.000 -8.536 -1.717) 8.707 4.328 ( 0.000 0.083 5.007) 5.008 4.435 ( 0.000 0.430 0.544) 0.693 4.471 ( 0.000 8.055 1.390) 8.174 4.564 ( 0.000 1.719 -7.069) 7.275 4.626 ( 0.000 1.554 6.407) 6.593 4.693 ( 0.000 -3.460 -1.747) 3.876 4.749 ( 0.000 -0.367 6.008) 6.020 4.756 ( 0.000 1.733 1.152) 2.081 4.854 ( 0.000 3.853 -6.257) 7.348 4.915 ( 0.000 2.029 1.425) 2.479 4.923 ( 0.000 2.761 2.664) 3.837 4.940 ( 0.000 -0.399 -8.848) 8.857 5.063 ( 0.000 -4.518 2.429) 5.130 5.071 ( 0.000 -5.602 1.507) 5.801 5.214 ( 0.000 0.693 0.817) 1.071 5.226 ( 0.000 -0.317 0.405) 0.514 5.312 ( 0.000 2.734 2.932) 4.009 5.344 ( 0.000 0.313 -1.892) 1.918 5.468 ( 0.000 2.177 3.737) 4.325 5.547 ( 0.000 2.059 -2.570) 3.293 5.558 ( 0.000 1.786 3.391) 3.833 5.595 ( 0.000 -2.684 -3.209) 4.183 5.610 ( 0.000 3.549 -2.340) 4.251 5.633 ( 0.000 -2.994 -3.018) 4.251 5.766 ( 0.000 2.795 2.199) 3.556 5.769 ( 0.000 -0.583 1.873) 1.962 5.851 ( 0.000 1.132 -1.210) 1.657 5.888 ( 0.000 -0.354 -3.165) 3.185 5.905 ( 0.000 1.675 -1.573) 2.298 5.916 ( 0.000 1.150 -2.801) 3.028 6.026 ( 0.000 5.370 3.173) 6.238 6.070 ( 0.000 4.870 -1.344) 5.052 6.162 ( 0.000 4.300 1.744) 4.640 6.168 ( 0.000 3.600 0.063) 3.601 6.281 ( 0.000 -3.535 3.405) 4.908 6.313 ( 0.000 -4.441 1.245) 4.612 6.322 ( 0.000 0.162 2.228) 2.233 6.365 ( 0.000 -0.310 -1.730) 1.757 6.426 ( 0.000 4.219 0.942) 4.322 6.430 ( 0.000 6.630 -0.025) 6.630 6.496 ( 0.000 -1.737 0.467) 1.799 6.536 ( 0.000 -2.084 -2.941) 3.605 6.627 ( 0.000 -1.901 0.984) 2.140 6.636 ( 0.000 2.298 0.253) 2.312 6.685 ( 0.000 -0.158 4.122) 4.125 6.754 ( 0.000 0.904 2.029) 2.221 6.775 ( 0.000 -0.421 6.008) 6.023 6.787 ( 0.000 0.972 -2.405) 2.594 6.894 ( 0.000 -3.777 -4.286) 5.713 6.912 ( 0.000 -3.481 -8.492) 9.178 7.102 ( 0.000 -1.993 0.697) 2.112 7.104 ( 0.000 -3.685 0.671) 3.746 7.182 ( 0.000 -3.055 4.504) 5.442 7.261 ( 0.000 1.414 -0.104) 1.418 7.324 ( 0.000 -0.084 -2.375) 2.377 7.329 ( 0.000 3.045 -1.308) 3.314 7.476 ( 0.000 -0.847 3.373) 3.478 7.552 ( 0.000 -1.667 -0.240) 1.685 7.565 ( 0.000 0.995 3.659) 3.792 7.596 ( 0.000 -3.705 -2.597) 4.525 7.707 ( 0.000 -1.862 -0.479) 1.923 7.712 ( 0.000 -2.260 -0.699) 2.365 7.758 ( 0.000 -2.194 3.394) 4.041 7.774 ( 0.000 -2.608 1.486) 3.002 7.831 ( 0.000 2.351 -1.776) 2.947 7.849 ( 0.000 1.600 -3.009) 3.408 8.003 ( 0.000 8.300 5.843) 10.151 8.099 ( 0.000 1.751 0.325) 1.781 8.117 ( 0.000 -0.357 1.123) 1.178 8.146 ( 0.000 2.193 -5.405) 5.833 8.245 ( 0.000 -1.830 1.011) 2.091 8.272 ( 0.000 -1.060 -0.961) 1.431 8.331 ( 0.000 2.288 4.779) 5.298 8.377 ( 0.000 0.940 8.293) 8.346 8.469 ( 0.000 -1.542 -0.606) 1.657 8.489 ( 0.000 -2.706 -3.275) 4.248 8.533 ( 0.000 1.351 -8.464) 8.571 8.568 ( 0.000 -0.968 -4.425) 4.530 8.592 ( 0.000 3.909 2.797) 4.807 8.643 ( 0.000 3.595 -2.657) 4.470 8.846 ( 0.000 -4.445 0.170) 4.449 8.849 ( 0.000 -3.837 -0.011) 3.837 9.208 ( 0.000 3.017 4.257) 5.218 9.305 ( 0.000 -0.490 -3.380) 3.415 9.349 ( 0.000 1.642 2.978) 3.401 9.416 ( 0.000 -1.537 -1.826) 2.386 9.445 ( 0.000 -0.951 -3.508) 3.635 9.496 ( 0.000 -1.901 -5.396) 5.722 9.566 ( 0.000 3.070 1.054) 3.246 9.633 ( 0.000 -0.606 -5.028) 5.064 9.885 ( 0.000 3.179 4.918) 5.855 9.983 ( 0.000 -0.627 -4.039) 4.088 10.581 ( 0.000 1.170 11.620) 11.678 10.805 ( 0.000 -8.908 -9.273) 12.858 16.641 ( 0.000 0.821 -1.071) 1.350 16.657 ( 0.000 0.058 -3.034) 3.034 16.700 ( 0.000 -1.971 -0.445) 2.021 16.709 ( 0.000 -0.866 -0.665) 1.092 16.722 ( 0.000 -0.715 0.092) 0.721 16.731 ( 0.000 -2.464 -1.299) 2.785 16.818 ( 0.000 2.363 0.485) 2.413 16.842 ( 0.000 0.709 -1.077) 1.290 16.919 ( 0.000 2.849 -0.490) 2.890 16.954 ( 0.000 0.481 -3.100) 3.137 17.033 ( 0.000 -1.154 1.401) 1.815 17.061 ( 0.000 -2.580 -1.213) 2.851 17.199 ( 0.000 -0.328 1.292) 1.333 17.213 ( 0.000 -0.987 0.174) 1.003 17.251 ( 0.000 1.145 1.369) 1.785 17.257 ( 0.000 1.302 0.488) 1.390 17.307 ( 0.000 -1.743 1.020) 2.020 17.318 ( 0.000 -1.663 -0.397) 1.709 17.370 ( 0.000 -1.616 1.070) 1.939 17.373 ( 0.000 -1.822 0.868) 2.018 17.484 ( 0.000 3.480 1.410) 3.755 17.491 ( 0.000 3.273 0.545) 3.318 17.678 ( 0.000 -0.517 2.452) 2.506 17.684 ( 0.000 -0.700 1.792) 1.924 21.641 ( 0.000 1.272 0.255) 1.298 21.646 ( 0.000 1.296 -0.229) 1.316 21.726 ( 0.000 -2.357 0.259) 2.371 21.728 ( 0.000 -2.086 -0.038) 2.086 21.917 ( 0.000 0.777 0.393) 0.871 21.928 ( 0.000 0.218 -0.664) 0.699 22.063 ( 0.000 3.490 -0.321) 3.505 22.093 ( 0.000 1.464 -2.823) 3.180 22.202 ( 0.000 -0.020 0.742) 0.743 22.202 ( 0.000 -0.092 0.972) 0.976 22.222 ( 0.000 0.187 -0.794) 0.816 22.227 ( 0.000 -0.017 -1.003) 1.003 26.870 ( 0.000 0.347 -0.634) 0.723 26.873 ( 0.000 0.294 -0.838) 0.888 26.887 ( 0.000 -0.262 -0.576) 0.633 26.887 ( 0.000 -0.333 -0.648) 0.729 27.062 ( 0.000 -0.747 0.827) 1.114 27.063 ( 0.000 -0.790 0.724) 1.072 27.096 ( 0.000 0.713 0.989) 1.220 27.096 ( 0.000 0.695 0.985) 1.206 27.382 ( 0.000 -0.084 -0.240) 0.254 27.383 ( 0.000 -0.165 -0.304) 0.346 27.511 ( 0.000 -0.005 0.553) 0.553 27.517 ( 0.000 -0.241 -0.044) 0.245 36.185 ( 0.000 0.021 2.950) 2.950 36.186 ( 0.000 -0.104 3.447) 3.449 36.241 ( 0.000 0.775 -1.716) 1.883 36.261 ( 0.000 -0.153 -2.976) 2.980 36.772 ( 0.000 -0.487 2.142) 2.196 36.786 ( 0.000 -1.411 1.393) 1.982 36.868 ( 0.000 1.547 6.662) 6.839 36.944 ( 0.000 -0.845 -2.399) 2.543 37.047 ( 0.000 -1.059 1.806) 2.093 37.054 ( 0.000 -3.565 2.992) 4.655 37.196 ( 0.000 2.883 5.706) 6.393 37.302 ( 0.000 2.629 13.864) 14.111 37.330 ( 0.000 -1.148 5.140) 5.266 37.342 ( 0.000 -0.492 -8.106) 8.121 37.552 ( 0.000 1.507 -9.031) 9.156 37.628 ( 0.000 -1.445 -7.815) 7.948 38.116 ( 0.000 0.367 0.851) 0.927 38.118 ( 0.000 0.192 0.596) 0.626 38.159 ( 0.000 0.202 -0.338) 0.394 38.167 ( 0.000 -0.130 -0.905) 0.914 38.358 ( 0.000 7.483 11.770) 13.947 38.663 ( 0.000 2.700 -13.472) 13.740 38.762 ( 0.000 -10.059 6.236) 11.836 38.933 ( 0.000 -10.909 -7.433) 13.200 ======================= Grid point 78 (30/36) ======================= q-point: ( 0.14 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 9.302 10.501 17.445) 22.385 1.313 ( 11.916 10.222 15.506) 22.066 1.545 ( 4.784 13.477 -3.103) 14.633 1.614 ( 13.931 -3.394 -6.473) 15.732 1.826 ( -1.186 -3.967 3.804) 5.622 1.833 ( 4.368 -1.754 1.695) 5.003 1.909 ( 4.557 -8.511 3.738) 10.352 1.990 ( 4.200 -0.846 -4.004) 5.864 2.174 ( 2.595 1.295 0.003) 2.900 2.178 ( 1.347 -1.163 1.990) 2.670 2.217 ( 6.067 1.527 -3.989) 7.420 2.243 ( 7.009 0.409 1.273) 7.135 2.423 ( 0.693 1.840 2.741) 3.373 2.443 ( 1.978 -5.068 0.789) 5.497 2.491 ( 0.416 1.780 -1.169) 2.170 2.511 ( 1.024 1.918 -1.495) 2.639 2.611 ( 1.610 0.536 16.114) 16.203 2.615 ( 1.703 0.698 5.835) 6.118 2.768 ( -0.806 2.115 4.720) 5.234 2.795 ( -0.098 -1.995 -0.166) 2.004 2.827 ( -1.367 -0.938 -1.966) 2.572 2.873 ( 2.635 1.212 5.972) 6.639 2.930 ( 0.960 -1.162 -1.184) 1.916 2.984 ( -1.047 3.702 -3.525) 5.218 3.028 ( -0.035 0.293 -1.434) 1.464 3.084 ( 1.107 -0.262 0.352) 1.191 3.159 ( 0.730 -1.854 -2.273) 3.023 3.195 ( -0.747 0.599 -0.079) 0.961 3.240 ( 2.790 -1.300 -0.131) 3.081 3.258 ( -0.401 -2.006 -4.118) 4.598 3.297 ( 1.336 2.122 -2.460) 3.512 3.344 ( -0.714 4.477 4.609) 6.465 3.371 ( 4.656 -2.170 -0.132) 5.138 3.435 ( 0.391 0.434 -4.152) 4.193 3.515 ( 4.476 -0.142 -5.243) 6.895 3.536 ( 1.929 0.866 1.216) 2.439 3.588 ( 5.413 3.026 0.331) 6.210 3.642 ( 2.923 4.634 -4.051) 6.814 3.678 ( 5.648 4.416 0.027) 7.170 3.739 ( 3.104 -3.717 -0.436) 4.862 3.772 ( 3.122 1.930 -11.880) 12.434 3.810 ( 0.029 -6.224 -6.170) 8.764 3.890 ( 4.595 -7.844 4.174) 10.003 3.953 ( -5.540 -2.657 1.318) 6.284 4.000 ( -3.764 -2.361 -1.807) 4.797 4.110 ( -0.647 0.665 1.502) 1.766 4.130 ( -0.501 -3.016 -6.169) 6.885 4.214 ( 3.425 2.257 -0.906) 4.201 4.252 ( 2.885 -0.061 3.031) 4.184 4.312 ( 2.572 -2.750 1.527) 4.063 4.374 ( 3.435 -0.833 4.675) 5.861 4.489 ( 4.640 0.735 -0.470) 4.722 4.519 ( 2.915 5.739 0.447) 6.452 4.587 ( 2.461 -0.195 -0.489) 2.517 4.618 ( -0.632 1.013 7.006) 7.107 4.683 ( 0.463 -4.545 0.565) 4.603 4.692 ( -1.402 -1.798 -0.090) 2.282 4.779 ( 0.167 -0.407 -0.073) 0.446 4.838 ( 0.328 -0.543 -7.823) 7.849 4.898 ( -1.140 2.588 3.097) 4.194 4.908 ( -3.838 -0.084 -6.240) 7.326 4.939 ( 0.145 2.015 -1.289) 2.396 5.075 ( 0.759 0.384 1.748) 1.944 5.099 ( 1.304 -1.791 0.177) 2.223 5.185 ( -2.041 -1.573 5.050) 5.670 5.213 ( -0.953 0.272 1.108) 1.486 5.258 ( -3.116 2.832 -0.242) 4.217 5.326 ( -1.775 -1.523 -3.175) 3.943 5.425 ( -3.980 2.041 2.396) 5.074 5.461 ( -7.101 -0.055 2.101) 7.406 5.482 ( -6.070 0.822 -2.172) 6.499 5.530 ( -3.643 1.440 -1.242) 4.110 5.590 ( -2.164 -0.934 -0.986) 2.555 5.655 ( -2.064 -3.268 -3.709) 5.357 5.727 ( -1.984 1.331 3.459) 4.204 5.783 ( 0.329 3.956 -1.048) 4.105 5.835 ( -1.763 -0.622 1.127) 2.183 5.890 ( -0.706 1.971 -3.320) 3.925 5.947 ( 2.031 2.686 -1.188) 3.571 5.969 ( 3.736 0.018 -2.397) 4.439 6.044 ( 1.436 3.542 3.385) 5.105 6.056 ( -1.246 3.268 1.245) 3.712 6.080 ( -4.444 4.504 1.771) 6.571 6.119 ( -3.222 1.897 -2.097) 4.287 6.271 ( -1.748 -5.673 4.294) 7.326 6.311 ( -1.654 -4.730 -0.026) 5.011 6.342 ( 1.832 0.702 0.696) 2.081 6.371 ( 0.274 0.421 -1.890) 1.956 6.408 ( -3.852 2.326 1.462) 4.731 6.440 ( 1.944 2.152 3.124) 4.262 6.462 ( -2.547 0.278 -2.257) 3.415 6.521 ( -1.125 -2.870 -2.545) 3.997 6.613 ( -0.847 1.537 3.263) 3.705 6.648 ( -0.020 0.989 -0.093) 0.994 6.678 ( 0.028 3.855 1.678) 4.205 6.751 ( -1.441 2.988 -3.312) 4.688 6.799 ( 1.948 -1.404 3.557) 4.291 6.827 ( 1.990 -0.572 2.862) 3.533 6.904 ( -0.129 -1.643 -3.958) 4.287 6.928 ( 1.865 -3.825 -3.506) 5.514 7.105 ( -3.240 -2.390 3.896) 5.603 7.138 ( 2.158 -3.089 3.780) 5.337 7.157 ( 3.516 -2.984 -0.424) 4.631 7.246 ( -3.604 -3.519 -5.488) 7.449 7.312 ( 2.006 3.144 0.748) 3.804 7.332 ( 0.245 2.765 -1.346) 3.085 7.470 ( -1.341 -1.274 2.373) 3.008 7.492 ( -4.278 -2.648 0.688) 5.079 7.606 ( 3.317 1.574 1.702) 4.047 7.633 ( 2.060 0.154 -0.527) 2.132 7.680 ( -3.499 -1.866 1.294) 4.171 7.711 ( -0.220 -2.524 -0.818) 2.662 7.726 ( -1.673 0.774 1.810) 2.583 7.763 ( 0.687 -1.263 -1.383) 1.995 7.804 ( 0.455 1.320 -1.365) 1.953 7.820 ( 0.807 0.872 -3.576) 3.768 8.019 ( 0.844 6.748 7.330) 9.999 8.134 ( -0.331 -0.212 0.582) 0.702 8.142 ( 1.881 -0.771 2.633) 3.327 8.201 ( -3.709 -1.097 0.794) 3.949 8.255 ( -0.203 2.212 -0.513) 2.280 8.288 ( 8.123 3.269 -4.517) 9.853 8.359 ( 4.039 -0.873 3.585) 5.471 8.373 ( -2.280 -1.010 4.330) 4.997 8.449 ( -0.561 0.185 -1.689) 1.789 8.486 ( -2.963 0.866 -2.377) 3.896 8.520 ( 0.141 -0.998 0.613) 1.180 8.571 ( 4.955 -2.594 -3.742) 6.729 8.642 ( 4.410 2.541 0.862) 5.162 8.704 ( 4.153 2.505 -4.717) 6.766 8.865 ( 3.213 -3.099 1.520) 4.716 8.928 ( 4.668 -3.793 -4.166) 7.317 9.231 ( 1.677 2.483 3.307) 4.463 9.303 ( -0.644 -0.190 -1.148) 1.330 9.363 ( 1.572 2.165 0.335) 2.697 9.428 ( 1.010 -0.022 -3.555) 3.696 9.461 ( 1.397 -2.053 -1.610) 2.960 9.520 ( 2.492 -2.151 -4.778) 5.802 9.590 ( 2.598 2.935 0.084) 3.921 9.638 ( 0.746 0.111 -4.211) 4.278 9.828 ( -5.429 2.143 4.168) 7.171 9.916 ( -6.265 -1.335 -3.955) 7.528 10.498 ( -8.007 1.385 9.967) 12.860 10.679 ( -11.744 -6.678 -6.595) 15.033 16.642 ( 0.212 0.797 -0.847) 1.182 16.660 ( 0.247 0.228 -2.671) 2.693 16.707 ( 0.547 -2.527 -0.720) 2.684 16.718 ( 0.152 -2.751 -1.484) 3.129 16.755 ( 3.475 0.066 0.723) 3.550 16.765 ( 3.297 -0.637 -0.108) 3.360 16.822 ( 0.497 2.021 -0.333) 2.107 16.842 ( 0.108 0.693 -1.515) 1.670 16.909 ( -0.861 2.466 -0.889) 2.759 16.939 ( -1.218 0.553 -3.055) 3.335 17.030 ( 0.037 -0.711 1.107) 1.316 17.054 ( -0.254 -1.515 -1.170) 1.931 17.197 ( -1.289 -0.484 1.150) 1.794 17.204 ( -0.608 -0.623 0.461) 0.985 17.234 ( -1.284 0.726 0.921) 1.739 17.249 ( -0.280 0.188 -0.338) 0.478 17.303 ( -0.140 -0.782 1.732) 1.906 17.320 ( 0.455 -1.756 0.235) 1.830 17.373 ( -0.456 -1.506 1.354) 2.076 17.378 ( -0.169 -1.541 0.705) 1.703 17.482 ( 0.040 3.312 1.501) 3.636 17.491 ( 0.060 3.016 0.551) 3.067 17.670 ( -0.711 -0.487 2.484) 2.630 17.678 ( -0.634 -0.729 1.652) 1.914 21.644 ( 0.300 1.376 0.234) 1.428 21.649 ( 0.242 1.462 -0.185) 1.494 21.732 ( 0.831 -2.367 0.805) 2.634 21.750 ( 1.501 -3.319 -1.012) 3.781 21.925 ( 0.693 1.092 0.540) 1.402 21.939 ( 1.026 0.502 -0.839) 1.417 22.054 ( -0.805 2.892 -0.010) 3.002 22.087 ( -0.575 0.870 -2.863) 3.047 22.205 ( 0.324 0.190 0.966) 1.037 22.210 ( 0.619 0.062 0.842) 1.047 22.225 ( 0.240 0.218 -0.887) 0.945 22.231 ( 0.380 -0.041 -1.034) 1.102 26.881 ( 1.071 0.352 -0.544) 1.252 26.884 ( 1.056 0.305 -0.740) 1.325 26.896 ( 0.963 -0.286 -0.506) 1.124 26.897 ( 0.987 -0.284 -0.592) 1.186 27.052 ( -0.942 -0.697 0.776) 1.406 27.054 ( -0.902 -0.773 0.619) 1.339 27.086 ( -1.043 0.722 0.912) 1.563 27.087 ( -0.984 0.675 0.830) 1.454 27.377 ( -0.342 -0.061 -0.124) 0.369 27.380 ( -0.286 -0.170 -0.301) 0.448 27.493 ( -1.675 -0.043 0.551) 1.764 27.498 ( -1.781 -0.231 0.063) 1.797 36.204 ( 2.002 0.159 3.597) 4.120 36.212 ( 2.648 -0.310 3.905) 4.728 36.272 ( 3.172 0.834 -2.043) 3.864 36.296 ( 3.505 -0.299 -3.191) 4.750 36.774 ( 0.171 -0.330 2.582) 2.609 36.790 ( 0.451 -1.318 1.615) 2.132 36.857 ( -1.276 1.677 7.900) 8.177 36.927 ( -1.611 0.620 -1.569) 2.332 36.993 ( -4.363 -3.005 6.152) 8.119 37.026 ( -3.667 -2.390 2.088) 4.850 37.109 ( -7.675 2.348 4.015) 8.974 37.218 ( -5.460 -0.499 -4.219) 6.918 37.302 ( -3.232 -0.289 4.008) 5.157 37.354 ( -4.548 -2.370 2.298) 5.620 37.513 ( 0.014 4.022 -1.733) 4.380 37.605 ( -3.918 -2.336 -6.013) 7.547 37.874 ( -14.751 5.782 2.734) 16.078 37.964 ( -13.685 3.282 -4.346) 14.729 38.077 ( -4.433 -0.850 3.785) 5.891 38.163 ( 0.448 -2.110 -4.744) 5.212 38.575 ( 13.587 3.618 7.097) 15.750 38.748 ( 7.985 3.824 -6.018) 10.705 38.832 ( 6.486 -7.606 6.147) 11.734 39.038 ( 6.721 -9.763 -11.252) 16.344 ======================= Grid point 79 (31/36) ======================= q-point: ( 0.29 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 8.500 11.631 12.005) 18.752 1.543 ( 9.706 5.512 14.748) 18.496 1.627 ( 3.521 12.463 -3.280) 13.360 1.821 ( 2.384 -0.418 -4.214) 4.859 1.888 ( 10.715 -4.800 2.547) 12.014 2.003 ( 11.247 -3.051 -1.732) 11.782 2.031 ( 5.500 -5.057 -0.286) 7.477 2.082 ( 6.356 -1.944 -1.295) 6.772 2.162 ( -2.476 1.407 2.546) 3.820 2.225 ( 1.934 3.311 -2.122) 4.382 2.333 ( 1.637 -5.174 -0.608) 5.461 2.355 ( 4.140 -1.846 -2.542) 5.197 2.414 ( -3.870 1.982 3.217) 5.409 2.480 ( 0.063 0.215 -3.655) 3.662 2.486 ( 3.363 -1.737 2.256) 4.407 2.529 ( 1.134 3.549 0.896) 3.832 2.644 ( -0.741 -1.696 0.385) 1.890 2.654 ( 2.845 -1.283 -0.141) 3.124 2.782 ( -0.791 0.896 5.793) 5.915 2.787 ( 0.198 1.660 1.841) 2.487 2.855 ( 3.350 0.238 -2.405) 4.131 2.944 ( 0.704 -1.683 1.953) 2.673 2.972 ( 0.115 -1.695 -2.819) 3.292 3.042 ( 3.001 0.249 2.663) 4.020 3.059 ( 4.326 -0.410 1.514) 4.601 3.085 ( 8.128 -0.175 2.027) 8.378 3.133 ( -1.309 -0.891 0.581) 1.687 3.202 ( 0.606 4.675 2.289) 5.240 3.232 ( 0.417 -1.083 -3.858) 4.029 3.291 ( 0.340 5.355 -1.768) 5.649 3.325 ( 2.049 -0.342 -0.242) 2.092 3.367 ( -0.036 2.198 0.476) 2.249 3.434 ( 2.542 3.920 0.506) 4.699 3.474 ( 3.932 -2.586 1.127) 4.839 3.568 ( -0.210 1.562 -1.413) 2.117 3.615 ( 1.065 0.542 1.259) 1.736 3.654 ( 0.505 0.924 -5.708) 5.804 3.688 ( 5.340 -0.522 -5.242) 7.501 3.743 ( -1.422 -0.330 -0.558) 1.563 3.771 ( 1.429 -0.762 -2.945) 3.361 3.855 ( 5.563 -4.490 -0.108) 7.150 3.893 ( 5.749 0.812 -4.115) 7.116 3.927 ( 3.986 -4.998 2.919) 7.028 3.981 ( 7.143 -3.433 1.133) 8.006 4.007 ( 5.484 -5.395 -2.170) 7.993 4.087 ( -0.471 -1.973 -4.353) 4.803 4.146 ( 1.415 2.648 3.898) 4.920 4.236 ( -0.734 0.015 -0.613) 0.957 4.353 ( 6.678 7.184 0.153) 9.810 4.384 ( 2.703 0.087 -0.119) 2.707 4.439 ( 3.512 3.926 5.950) 7.947 4.509 ( -0.994 2.269 1.665) 2.985 4.573 ( -1.548 -0.747 7.980) 8.163 4.607 ( 2.126 0.184 2.812) 3.530 4.669 ( 3.538 -2.571 2.145) 4.871 4.690 ( -1.394 0.760 -0.160) 1.595 4.724 ( 1.911 -4.178 -0.200) 4.599 4.802 ( 2.422 1.902 -2.616) 4.041 4.841 ( 0.706 -5.857 -4.211) 7.248 4.856 ( 1.947 -2.281 -1.261) 3.253 4.930 ( 0.264 -3.433 -2.422) 4.210 4.952 ( 4.636 -1.159 -2.318) 5.311 5.045 ( -1.103 4.223 1.303) 4.555 5.100 ( -1.667 0.860 -0.965) 2.110 5.175 ( -0.309 -1.509 2.506) 2.942 5.206 ( -2.102 1.144 1.113) 2.639 5.215 ( -1.535 3.171 0.338) 3.539 5.243 ( -4.438 -7.388 1.232) 8.706 5.319 ( -5.237 -0.571 -0.010) 5.268 5.354 ( -1.386 1.739 -0.815) 2.369 5.389 ( -3.458 1.054 2.688) 4.505 5.467 ( -3.446 4.161 0.344) 5.414 5.518 ( -4.066 0.401 -2.993) 5.064 5.558 ( -6.123 -2.121 -3.789) 7.507 5.638 ( -8.458 0.881 2.743) 8.935 5.706 ( -9.934 -0.159 -1.575) 10.059 5.796 ( 1.135 2.492 -0.556) 2.794 5.864 ( -1.060 1.120 -4.497) 4.754 5.960 ( -1.076 1.242 0.680) 1.779 5.962 ( -2.273 1.620 -0.611) 2.857 6.025 ( -0.484 2.142 -1.228) 2.516 6.052 ( -0.574 2.868 -3.745) 4.752 6.118 ( 1.851 0.577 3.732) 4.205 6.123 ( 4.072 0.967 2.674) 4.966 6.242 ( -1.019 -5.139 1.411) 5.425 6.264 ( -4.853 -5.328 -0.690) 7.239 6.283 ( -3.827 -0.285 1.593) 4.155 6.331 ( -2.103 -2.195 -2.208) 3.756 6.403 ( 1.053 0.600 0.757) 1.429 6.418 ( 0.868 1.551 -0.969) 2.024 6.489 ( -0.286 1.892 1.769) 2.606 6.515 ( 1.859 1.142 -0.219) 2.193 6.565 ( -3.876 2.401 3.467) 5.727 6.632 ( -2.403 2.264 -2.087) 3.906 6.688 ( 1.267 0.803 -0.543) 1.595 6.698 ( -2.081 3.004 -2.168) 4.249 6.774 ( -4.303 -1.239 2.645) 5.200 6.821 ( -2.941 -0.899 -1.099) 3.266 6.915 ( 0.400 -1.306 1.517) 2.042 6.947 ( -0.797 -3.810 -1.402) 4.137 7.052 ( 0.206 0.425 1.664) 1.730 7.126 ( -3.533 -2.129 -5.070) 6.536 7.233 ( 4.379 -2.528 4.621) 6.850 7.275 ( 5.001 -1.668 0.165) 5.274 7.346 ( 0.756 4.117 1.334) 4.393 7.393 ( 1.195 -0.233 -1.322) 1.797 7.433 ( 0.773 -1.273 1.942) 2.447 7.445 ( 2.871 -1.838 0.888) 3.523 7.574 ( -4.441 3.845 2.201) 6.272 7.609 ( -3.409 1.603 -0.759) 3.843 7.682 ( 1.834 0.106 2.614) 3.195 7.739 ( 1.949 -0.414 -1.500) 2.495 7.756 ( 2.952 -0.418 1.235) 3.227 7.790 ( 1.503 -0.433 -1.113) 1.919 7.831 ( 1.901 1.517 0.383) 2.462 7.853 ( 1.746 1.184 -1.649) 2.677 8.038 ( -0.016 0.643 5.910) 5.945 8.087 ( -4.912 -0.384 1.629) 5.190 8.106 ( -3.988 -1.786 0.797) 4.442 8.148 ( -3.105 -2.199 -2.101) 4.347 8.243 ( 1.273 2.284 6.131) 6.665 8.292 ( -1.077 -0.719 2.798) 3.083 8.373 ( -2.029 1.548 1.848) 3.151 8.400 ( -3.824 1.317 0.255) 4.053 8.498 ( 7.728 0.581 -0.420) 7.761 8.529 ( 8.827 0.585 -3.556) 9.534 8.617 ( 6.001 -2.015 0.237) 6.335 8.677 ( 5.529 -2.660 -3.922) 7.282 8.734 ( 4.596 2.165 -0.452) 5.100 8.791 ( 4.747 0.425 -3.651) 6.003 8.926 ( 2.076 -0.526 0.333) 2.167 8.998 ( 1.851 -2.943 -5.432) 6.449 9.256 ( 0.945 1.825 1.469) 2.526 9.283 ( -0.963 1.640 -0.102) 1.905 9.401 ( 1.856 1.867 -2.205) 3.434 9.442 ( 0.256 3.525 -6.924) 7.774 9.498 ( 2.026 -3.760 2.440) 4.919 9.569 ( 1.423 -3.472 -4.271) 5.685 9.656 ( 0.208 0.417 -0.016) 0.466 9.678 ( 3.269 0.556 -2.287) 4.028 9.711 ( -2.097 1.291 1.534) 2.901 9.772 ( -6.120 -1.899 -3.781) 7.440 10.288 ( -12.456 1.739 6.262) 14.049 10.392 ( -16.030 -2.974 -3.205) 16.616 16.649 ( 0.421 0.796 -0.555) 1.058 16.664 ( 0.112 0.495 -1.861) 1.929 16.717 ( 0.293 -2.813 -1.146) 3.051 16.719 ( 0.070 -2.478 -1.119) 2.720 16.808 ( 0.852 1.283 0.728) 1.704 16.825 ( 1.629 0.018 1.068) 1.948 16.846 ( 0.784 1.107 -2.398) 2.755 16.859 ( 1.559 0.355 -2.327) 2.823 16.911 ( 2.377 1.393 -0.632) 2.826 16.939 ( 2.789 0.226 -2.762) 3.932 17.044 ( 1.516 0.098 0.540) 1.613 17.062 ( 1.008 -0.299 -1.117) 1.534 17.148 ( -2.701 -0.127 1.353) 3.024 17.174 ( -2.389 -1.224 -1.102) 2.902 17.228 ( -0.027 -0.568 1.495) 1.600 17.251 ( 0.047 -1.044 -0.427) 1.129 17.292 ( -1.068 1.153 2.052) 2.585 17.316 ( -1.335 0.103 -0.106) 1.343 17.351 ( -1.568 -1.124 1.620) 2.519 17.357 ( -1.433 -1.819 1.115) 2.570 17.495 ( 1.376 2.517 1.641) 3.304 17.501 ( 1.094 2.314 0.964) 2.735 17.650 ( -1.326 -0.610 2.322) 2.743 17.658 ( -1.378 -0.807 1.523) 2.206 21.652 ( 0.377 1.612 0.177) 1.666 21.654 ( 0.290 1.762 -0.095) 1.788 21.752 ( 1.064 -3.055 0.883) 3.353 21.774 ( 0.747 -4.183 -1.222) 4.421 21.942 ( 1.010 1.802 0.736) 2.193 21.963 ( 1.143 1.366 -1.228) 2.163 22.036 ( -0.799 1.416 0.729) 1.782 22.071 ( -1.014 -0.094 -2.422) 2.627 22.213 ( 0.535 0.415 0.701) 0.975 22.223 ( 0.665 -0.020 0.348) 0.750 22.230 ( 0.264 0.354 -0.711) 0.837 22.239 ( 0.346 -0.070 -0.879) 0.947 26.910 ( 1.708 0.153 -0.316) 1.744 26.911 ( 1.654 0.076 -0.442) 1.714 26.924 ( 1.770 -0.052 -0.349) 1.805 26.925 ( 1.770 -0.083 -0.434) 1.824 27.027 ( -1.483 -0.603 0.579) 1.702 27.029 ( -1.499 -0.697 0.394) 1.700 27.057 ( -1.755 0.690 0.682) 2.005 27.059 ( -1.738 0.610 0.514) 1.912 27.373 ( 0.050 -0.028 0.057) 0.081 27.376 ( 0.039 -0.144 -0.167) 0.224 27.452 ( -2.211 -0.091 0.449) 2.258 27.455 ( -2.328 -0.179 0.214) 2.345 36.271 ( 4.947 0.276 5.492) 7.397 36.291 ( 5.250 -0.673 5.380) 7.547 36.372 ( 6.935 0.751 -2.863) 7.541 36.397 ( 6.538 -0.429 -3.500) 7.428 36.769 ( -5.959 1.091 10.862) 12.437 36.770 ( -2.841 0.622 7.039) 7.617 36.808 ( -1.246 -1.614 3.062) 3.679 36.874 ( -4.392 -1.231 6.043) 7.571 36.898 ( -6.425 -1.267 0.742) 6.591 36.932 ( -2.652 1.054 1.297) 3.135 36.964 ( -3.423 0.124 0.572) 3.473 37.090 ( -6.332 -3.852 -8.832) 11.530 37.200 ( -5.542 2.097 0.424) 5.941 37.239 ( -6.380 3.223 -3.898) 8.141 37.412 ( -10.576 -3.280 -0.319) 11.078 37.485 ( -10.792 -4.242 -6.086) 13.096 37.691 ( -1.466 8.921 3.761) 9.792 37.782 ( -2.806 8.925 -4.524) 10.392 38.024 ( -0.939 -3.251 6.003) 6.891 38.151 ( -1.869 -5.014 -6.170) 8.167 38.825 ( 11.051 2.549 4.348) 12.147 38.920 ( 8.117 2.856 -3.167) 9.169 38.980 ( 7.405 -3.778 4.555) 9.479 39.136 ( 3.131 -6.208 -9.106) 11.457 ======================= Grid point 80 (32/36) ======================= q-point: ( 0.43 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 6.783 7.850 5.540) 11.760 1.670 ( 0.642 7.730 -0.527) 7.775 1.712 ( 6.586 3.258 5.507) 9.183 1.833 ( -3.537 -1.026 -3.431) 5.033 2.026 ( 4.327 0.004 2.867) 5.190 2.088 ( 1.755 3.739 -3.204) 5.228 2.145 ( 2.934 2.898 2.422) 4.783 2.210 ( 3.948 4.392 -3.065) 6.654 2.226 ( 1.951 -0.993 4.679) 5.165 2.268 ( 2.145 -3.404 2.998) 5.017 2.290 ( -0.850 0.757 2.038) 2.334 2.341 ( 3.493 -2.669 -2.832) 5.229 2.389 ( -2.312 -1.735 0.360) 2.913 2.476 ( -3.927 -3.680 -3.834) 6.608 2.556 ( 2.912 -2.711 3.838) 5.528 2.589 ( 2.902 3.966 4.049) 6.367 2.606 ( 2.031 -10.678 -2.440) 11.140 2.687 ( 0.725 -1.822 -3.362) 3.892 2.723 ( -3.204 0.269 2.163) 3.875 2.768 ( -5.672 1.247 -2.816) 6.454 2.828 ( -2.328 -2.160 0.714) 3.255 2.874 ( -3.973 3.012 -3.423) 6.047 3.046 ( 5.782 -2.654 3.914) 7.469 3.098 ( 0.431 -0.743 0.695) 1.105 3.120 ( 3.601 1.040 0.062) 3.749 3.150 ( 3.695 0.052 -1.455) 3.971 3.184 ( -2.171 3.919 -0.488) 4.507 3.221 ( -2.143 2.325 -2.253) 3.883 3.283 ( 4.137 0.902 1.415) 4.464 3.317 ( -0.227 2.412 0.905) 2.587 3.365 ( 3.798 3.116 -1.359) 5.097 3.399 ( 2.599 2.362 -6.738) 7.599 3.446 ( -1.515 1.580 1.122) 2.460 3.479 ( -3.727 -1.768 1.072) 4.262 3.554 ( 3.322 -0.261 -2.306) 4.052 3.605 ( -0.365 -0.913 -5.025) 5.120 3.675 ( 0.516 5.480 1.409) 5.681 3.691 ( -2.225 4.225 -1.084) 4.897 3.798 ( 0.696 -5.555 0.741) 5.647 3.808 ( -0.426 -5.772 0.555) 5.814 3.943 ( 6.696 -4.765 1.171) 8.301 3.966 ( 4.875 -2.432 -0.338) 5.459 4.049 ( 3.287 -0.542 2.569) 4.207 4.087 ( -1.754 -5.048 0.981) 5.434 4.109 ( 3.771 -1.673 1.153) 4.284 4.167 ( 4.997 0.414 -2.412) 5.564 4.253 ( 12.206 5.039 2.149) 13.379 4.306 ( 10.571 0.710 -3.450) 11.142 4.351 ( -4.649 -1.954 4.972) 7.082 4.413 ( -4.985 -1.473 -0.055) 5.198 4.461 ( -1.176 3.569 1.378) 4.003 4.508 ( -4.416 3.084 -0.858) 5.454 4.551 ( 4.650 1.626 4.835) 6.902 4.621 ( 1.189 4.180 -0.310) 4.357 4.646 ( -2.909 -0.323 2.784) 4.040 4.703 ( -0.759 1.862 0.391) 2.049 4.760 ( 1.465 -3.125 4.785) 5.900 4.804 ( -1.647 2.031 2.503) 3.620 4.847 ( -1.069 -5.697 1.229) 5.926 4.872 ( -2.153 -6.082 3.021) 7.124 4.969 ( 2.750 -1.622 0.313) 3.208 5.012 ( -0.497 -2.501 1.541) 2.979 5.028 ( -0.047 -1.065 -1.715) 2.020 5.080 ( -4.245 -4.199 -0.490) 5.991 5.124 ( 4.830 2.180 -1.991) 5.661 5.171 ( 1.842 -0.468 -3.851) 4.294 5.199 ( -1.701 0.846 6.131) 6.418 5.244 ( -3.141 0.520 1.528) 3.531 5.295 ( 3.803 -1.499 1.333) 4.299 5.358 ( -1.673 -1.855 3.171) 4.037 5.360 ( 0.899 2.177 -0.798) 2.487 5.387 ( 0.703 2.609 3.185) 4.177 5.432 ( -7.129 0.537 -1.176) 7.246 5.473 ( -1.181 1.841 -6.101) 6.481 5.499 ( -2.648 1.910 -4.955) 5.934 5.529 ( -5.829 -0.608 -6.750) 8.939 5.836 ( 2.924 0.770 0.052) 3.024 5.871 ( 1.424 -0.522 -2.840) 3.220 5.902 ( -3.034 0.440 1.061) 3.244 5.925 ( -2.802 -0.726 -0.251) 2.906 5.986 ( -1.332 2.649 -0.250) 2.976 6.039 ( -5.380 1.325 2.105) 5.927 6.065 ( -0.140 0.681 -5.462) 5.506 6.122 ( -5.610 -1.759 -4.112) 7.175 6.234 ( 6.074 0.258 1.483) 6.257 6.261 ( 4.199 -0.777 -0.673) 4.323 6.304 ( 1.161 -0.923 1.779) 2.316 6.326 ( -0.672 -0.728 0.160) 1.003 6.417 ( -1.560 1.094 2.849) 3.428 6.442 ( -5.430 0.900 1.598) 5.731 6.443 ( -1.042 -0.442 0.376) 1.192 6.455 ( 0.336 -0.162 -1.047) 1.112 6.569 ( 2.635 2.283 0.567) 3.532 6.598 ( 0.414 2.166 -2.509) 3.340 6.672 ( -2.887 -1.697 0.304) 3.362 6.701 ( -4.236 -1.906 -2.586) 5.316 6.731 ( 2.009 1.768 0.056) 2.677 6.745 ( 0.246 1.193 -1.077) 1.625 6.893 ( -1.545 -4.054 0.063) 4.339 6.906 ( -2.529 -4.506 -1.245) 5.315 7.088 ( 2.222 3.929 0.312) 4.525 7.109 ( 0.312 3.463 -1.851) 3.939 7.257 ( -0.008 -2.579 3.662) 4.479 7.301 ( -3.640 -3.663 -0.261) 5.170 7.378 ( 3.548 3.986 3.217) 6.231 7.407 ( 4.026 4.102 0.960) 5.827 7.475 ( -3.178 1.660 3.408) 4.947 7.512 ( -1.518 -0.464 1.081) 1.920 7.542 ( 2.549 0.285 1.910) 3.198 7.567 ( 2.421 0.016 -0.415) 2.457 7.719 ( 1.698 -0.388 1.080) 2.050 7.754 ( -2.028 -0.608 -1.658) 2.689 7.783 ( 2.068 0.470 1.199) 2.436 7.807 ( -0.214 -1.994 -0.274) 2.025 7.889 ( 4.344 0.797 2.297) 4.978 7.922 ( 5.672 0.317 0.150) 5.683 7.984 ( -4.287 -1.238 3.440) 5.634 8.008 ( -1.990 0.174 0.742) 2.131 8.027 ( -3.617 0.918 1.304) 3.953 8.052 ( -6.423 -0.857 -0.063) 6.481 8.283 ( 1.951 -0.121 5.128) 5.488 8.306 ( 1.686 -0.461 3.041) 3.508 8.326 ( -2.370 0.328 3.403) 4.160 8.343 ( -2.007 0.311 3.315) 3.888 8.633 ( 5.281 0.871 -2.328) 5.837 8.669 ( 2.828 0.982 -6.619) 7.264 8.713 ( 4.067 -3.254 0.867) 5.280 8.757 ( 0.967 -3.142 -2.363) 4.049 8.831 ( 5.014 2.867 0.627) 5.809 8.873 ( 2.664 2.232 -2.757) 4.436 8.941 ( 0.246 -0.698 0.131) 0.751 8.990 ( -2.598 -1.678 -3.967) 5.030 9.276 ( 0.630 3.047 -1.119) 3.306 9.278 ( 0.553 4.133 -2.602) 4.915 9.423 ( 0.335 0.246 -2.968) 2.997 9.436 ( -0.844 2.098 -5.509) 5.956 9.529 ( 1.098 -3.263 0.966) 3.576 9.555 ( -2.039 -3.483 -1.035) 4.166 9.605 ( -0.504 -3.612 -1.527) 3.954 9.627 ( -3.223 -4.310 -3.053) 6.188 9.829 ( 9.326 2.248 -0.355) 9.599 9.833 ( 8.326 1.805 -0.821) 8.559 10.037 ( -11.969 1.753 2.288) 12.311 10.079 ( -14.768 -0.204 -1.482) 14.844 16.657 ( 0.400 0.764 -0.597) 1.049 16.663 ( -0.172 0.677 -1.069) 1.277 16.718 ( 0.077 -2.331 -0.892) 2.497 16.720 ( -0.059 -2.285 -1.097) 2.535 16.820 ( 0.629 1.392 -0.948) 1.798 16.833 ( -0.520 1.294 -2.132) 2.548 16.849 ( 0.506 -0.113 -0.598) 0.792 16.862 ( -0.602 -0.118 -1.899) 1.996 16.992 ( 4.161 1.300 0.969) 4.466 17.029 ( 3.562 0.115 -2.121) 4.147 17.069 ( -0.619 0.517 1.208) 1.452 17.092 ( 2.790 0.536 -0.827) 2.959 17.121 ( -1.441 -1.254 -0.479) 1.969 17.133 ( 1.363 -1.074 -1.096) 2.052 17.188 ( -3.600 -0.587 1.539) 3.959 17.217 ( -3.923 -1.683 -1.099) 4.408 17.286 ( 0.903 1.100 1.830) 2.318 17.301 ( 0.356 0.579 0.586) 0.897 17.320 ( -1.215 -0.348 1.563) 2.010 17.331 ( -1.322 -0.984 0.717) 1.797 17.530 ( 1.610 1.939 1.690) 3.034 17.531 ( 1.521 2.087 1.517) 2.995 17.620 ( -1.282 -1.039 2.119) 2.685 17.625 ( -1.621 -1.102 1.618) 2.541 21.658 ( 0.197 1.839 0.098) 1.852 21.659 ( 0.098 1.916 0.004) 1.918 21.770 ( 0.736 -3.697 0.327) 3.784 21.779 ( -0.147 -4.144 -0.539) 4.181 21.962 ( 0.934 2.558 0.438) 2.758 21.974 ( -0.121 2.790 -0.758) 2.894 22.031 ( 0.430 -0.561 0.394) 0.809 22.049 ( -1.138 -0.722 -1.256) 1.842 22.224 ( 0.458 0.449 0.108) 0.651 22.230 ( -0.072 0.352 -0.391) 0.531 22.237 ( 0.414 -0.071 -0.174) 0.455 22.242 ( -0.036 -0.137 -0.570) 0.587 26.945 ( 1.730 -0.194 -0.049) 1.742 26.946 ( 1.709 -0.229 -0.115) 1.728 26.959 ( 1.302 0.123 -0.053) 1.309 26.960 ( 1.221 0.067 -0.106) 1.227 26.999 ( -0.814 -0.303 0.226) 0.897 27.000 ( -0.961 -0.344 0.157) 1.033 27.019 ( -1.960 0.521 0.337) 2.056 27.021 ( -1.998 0.443 0.192) 2.056 27.383 ( 0.958 -0.026 0.214) 0.981 27.385 ( 0.915 -0.114 0.035) 0.923 27.411 ( -1.837 -0.069 0.320) 1.866 27.412 ( -1.826 -0.123 0.204) 1.841 36.401 ( 8.154 -0.056 8.445) 11.739 36.417 ( 7.312 -0.794 7.689) 10.640 36.523 ( 3.591 -0.368 0.762) 3.690 36.542 ( 7.182 -0.780 -1.910) 7.473 36.598 ( -8.064 0.734 9.738) 12.665 36.631 ( -4.298 0.292 8.081) 9.158 36.723 ( -7.188 0.741 -0.333) 7.234 36.749 ( -8.076 -0.110 0.260) 8.081 36.898 ( 2.682 0.984 0.568) 2.912 36.933 ( -0.050 -0.127 -1.118) 1.127 36.942 ( 1.880 0.598 -2.913) 3.518 36.994 ( -3.208 -2.285 -6.681) 7.756 37.118 ( -1.580 2.311 -2.835) 3.984 37.162 ( 0.266 -0.794 -3.471) 3.571 37.203 ( -9.108 -1.359 -1.114) 9.276 37.257 ( -9.115 -2.277 -5.394) 10.833 37.725 ( 2.615 7.771 2.186) 8.485 37.763 ( -0.918 8.358 -1.418) 8.527 38.037 ( 2.131 -5.670 3.202) 6.851 38.096 ( -3.370 -6.105 -2.438) 7.387 38.993 ( 5.459 2.133 1.461) 6.041 39.028 ( 2.020 2.320 -1.891) 3.611 39.104 ( 4.855 -2.686 1.318) 5.703 39.161 ( -0.762 -3.421 -4.097) 5.391 ======================= Grid point 84 (33/36) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 0.000 -8.080 6.672) 10.479 1.219 ( 0.000 8.080 6.672) 10.479 1.589 ( 0.000 -15.544 13.251) 20.426 1.589 ( 0.000 15.544 13.251) 20.426 1.797 ( 0.000 -5.467 -0.509) 5.491 1.797 ( 0.000 5.467 -0.509) 5.491 1.826 ( 0.000 -8.600 -3.161) 9.163 1.826 ( 0.000 8.600 -3.161) 9.163 2.135 ( 0.000 -1.755 2.220) 2.830 2.135 ( 0.000 1.755 2.220) 2.830 2.224 ( 0.000 -4.107 -5.853) 7.151 2.224 ( 0.000 4.107 -5.853) 7.151 2.363 ( 0.000 -3.447 -0.986) 3.585 2.363 ( 0.000 3.447 -0.986) 3.585 2.524 ( 0.000 -4.724 8.305) 9.554 2.524 ( 0.000 4.724 8.305) 9.554 2.629 ( 0.000 -6.770 -0.594) 6.796 2.629 ( 0.000 6.770 -0.594) 6.796 2.718 ( 0.000 -1.912 8.936) 9.138 2.718 ( 0.000 1.912 8.936) 9.138 2.869 ( 0.000 -0.272 3.069) 3.081 2.869 ( 0.000 0.272 3.069) 3.081 3.004 ( 0.000 -3.237 -4.500) 5.543 3.004 ( 0.000 3.237 -4.500) 5.543 3.082 ( 0.000 -5.327 8.836) 10.318 3.082 ( 0.000 5.327 8.836) 10.318 3.141 ( 0.000 -6.078 -7.122) 9.363 3.141 ( 0.000 6.078 -7.122) 9.363 3.196 ( 0.000 -0.294 -1.618) 1.644 3.196 ( 0.000 0.294 -1.618) 1.644 3.299 ( 0.000 -0.559 1.150) 1.279 3.299 ( 0.000 0.559 1.150) 1.279 3.451 ( 0.000 -0.873 -4.606) 4.688 3.451 ( 0.000 0.873 -4.606) 4.688 3.476 ( 0.000 -0.800 3.242) 3.339 3.476 ( 0.000 0.800 3.242) 3.339 3.621 ( 0.000 -5.965 3.658) 6.997 3.621 ( 0.000 5.965 3.658) 6.997 3.678 ( 0.000 -3.790 -3.044) 4.861 3.678 ( 0.000 3.790 -3.044) 4.861 3.713 ( 0.000 -2.305 -1.368) 2.680 3.713 ( 0.000 2.305 -1.368) 2.680 3.918 ( 0.000 -11.723 -18.472) 21.878 3.918 ( 0.000 11.723 -18.472) 21.878 3.994 ( 0.000 -3.601 -3.688) 5.154 3.994 ( 0.000 3.601 -3.688) 5.154 4.185 ( 0.000 -1.403 -0.266) 1.428 4.185 ( 0.000 1.403 -0.266) 1.428 4.212 ( 0.000 -2.894 8.712) 9.180 4.212 ( 0.000 2.894 8.712) 9.180 4.392 ( 0.000 -4.931 -1.209) 5.077 4.392 ( 0.000 4.931 -1.209) 5.077 4.563 ( 0.000 -2.432 1.028) 2.640 4.563 ( 0.000 2.432 1.028) 2.640 4.684 ( 0.000 -1.584 -6.954) 7.132 4.684 ( 0.000 1.584 -6.954) 7.132 4.710 ( 0.000 -0.817 7.453) 7.497 4.710 ( 0.000 0.817 7.453) 7.497 4.921 ( 0.000 -1.281 -5.260) 5.414 4.921 ( 0.000 1.281 -5.260) 5.414 4.958 ( 0.000 -0.583 1.804) 1.896 4.958 ( 0.000 0.583 1.804) 1.896 5.006 ( 0.000 -0.271 4.766) 4.774 5.006 ( 0.000 0.271 4.766) 4.774 5.223 ( 0.000 -0.317 -0.043) 0.320 5.223 ( 0.000 0.317 -0.043) 0.320 5.337 ( 0.000 -0.685 -2.886) 2.966 5.337 ( 0.000 0.685 -2.886) 2.966 5.518 ( 0.000 -3.680 1.686) 4.048 5.518 ( 0.000 3.680 1.686) 4.048 5.577 ( 0.000 -0.233 0.320) 0.396 5.577 ( 0.000 0.233 0.320) 0.396 5.637 ( 0.000 -0.624 -2.101) 2.192 5.637 ( 0.000 0.624 -2.101) 2.192 5.782 ( 0.000 -0.985 3.518) 3.653 5.782 ( 0.000 0.985 3.518) 3.653 5.875 ( 0.000 -1.169 -3.100) 3.313 5.875 ( 0.000 1.169 -3.100) 3.313 5.916 ( 0.000 -0.478 -1.577) 1.648 5.916 ( 0.000 0.478 -1.577) 1.648 6.125 ( 0.000 -2.609 1.275) 2.903 6.125 ( 0.000 2.609 1.275) 2.903 6.206 ( 0.000 -1.434 2.037) 2.491 6.206 ( 0.000 1.434 2.037) 2.491 6.240 ( 0.000 -0.729 0.514) 0.892 6.240 ( 0.000 0.729 0.514) 0.892 6.338 ( 0.000 -1.992 0.741) 2.125 6.338 ( 0.000 1.992 0.741) 2.125 6.490 ( 0.000 -0.709 0.048) 0.710 6.490 ( 0.000 0.709 0.048) 0.710 6.509 ( 0.000 -0.391 -0.643) 0.753 6.509 ( 0.000 0.391 -0.643) 0.753 6.622 ( 0.000 -2.169 4.376) 4.884 6.622 ( 0.000 2.169 4.376) 4.884 6.716 ( 0.000 -4.180 1.208) 4.351 6.716 ( 0.000 4.180 1.208) 4.351 6.817 ( 0.000 -2.313 -1.332) 2.670 6.817 ( 0.000 2.313 -1.332) 2.670 6.838 ( 0.000 -2.160 -5.994) 6.371 6.838 ( 0.000 2.160 -5.994) 6.371 7.076 ( 0.000 -0.812 1.533) 1.735 7.076 ( 0.000 0.812 1.533) 1.735 7.203 ( 0.000 -5.350 -4.452) 6.960 7.203 ( 0.000 5.350 -4.452) 6.960 7.343 ( 0.000 -1.061 0.988) 1.449 7.343 ( 0.000 1.061 0.988) 1.449 7.500 ( 0.000 -2.775 -1.711) 3.260 7.500 ( 0.000 2.775 -1.711) 3.260 7.573 ( 0.000 -0.194 2.641) 2.648 7.573 ( 0.000 0.194 2.641) 2.648 7.690 ( 0.000 -0.094 -0.425) 0.435 7.690 ( 0.000 0.094 -0.425) 0.435 7.741 ( 0.000 -0.608 3.251) 3.308 7.741 ( 0.000 0.608 3.251) 3.308 7.858 ( 0.000 -0.594 -3.335) 3.387 7.858 ( 0.000 0.594 -3.335) 3.387 8.110 ( 0.000 -0.169 1.873) 1.880 8.110 ( 0.000 0.169 1.873) 1.880 8.134 ( 0.000 -4.870 2.213) 5.350 8.134 ( 0.000 4.870 2.213) 5.350 8.247 ( 0.000 -1.809 -2.064) 2.744 8.247 ( 0.000 1.809 -2.064) 2.744 8.378 ( 0.000 -2.167 6.350) 6.709 8.378 ( 0.000 2.167 6.350) 6.709 8.445 ( 0.000 -0.116 0.097) 0.151 8.445 ( 0.000 0.116 0.097) 0.151 8.552 ( 0.000 -0.870 -6.802) 6.857 8.552 ( 0.000 0.870 -6.802) 6.857 8.680 ( 0.000 -2.732 2.125) 3.461 8.680 ( 0.000 2.732 2.125) 3.461 8.783 ( 0.000 -1.054 -2.788) 2.980 8.783 ( 0.000 1.054 -2.788) 2.980 9.269 ( 0.000 -3.286 2.593) 4.186 9.269 ( 0.000 3.286 2.593) 4.186 9.382 ( 0.000 -1.838 0.329) 1.868 9.382 ( 0.000 1.838 0.329) 1.868 9.459 ( 0.000 -1.805 -6.738) 6.975 9.459 ( 0.000 1.805 -6.738) 6.975 9.611 ( 0.000 -1.870 -1.860) 2.637 9.611 ( 0.000 1.870 -1.860) 2.637 9.949 ( 0.000 -3.229 1.354) 3.501 9.949 ( 0.000 3.229 1.354) 3.501 10.650 ( 0.000 -6.924 1.415) 7.067 10.650 ( 0.000 6.924 1.415) 7.067 16.659 ( 0.000 -0.421 -2.080) 2.122 16.659 ( 0.000 0.421 -2.080) 2.122 16.677 ( 0.000 -0.671 -1.364) 1.520 16.677 ( 0.000 0.671 -1.364) 1.520 16.719 ( 0.000 -0.011 0.072) 0.073 16.719 ( 0.000 0.011 0.072) 0.073 16.845 ( 0.000 -0.554 0.457) 0.718 16.845 ( 0.000 0.554 0.457) 0.718 16.954 ( 0.000 -0.771 -2.067) 2.206 16.954 ( 0.000 0.771 -2.067) 2.206 17.025 ( 0.000 -0.893 -0.007) 0.893 17.025 ( 0.000 0.893 -0.007) 0.893 17.200 ( 0.000 -0.467 0.142) 0.488 17.200 ( 0.000 0.467 0.142) 0.488 17.272 ( 0.000 -0.774 1.015) 1.277 17.272 ( 0.000 0.774 1.015) 1.277 17.290 ( 0.000 -0.988 1.098) 1.477 17.290 ( 0.000 0.988 1.098) 1.477 17.355 ( 0.000 -0.076 0.452) 0.458 17.355 ( 0.000 0.076 0.452) 0.458 17.522 ( 0.000 -0.292 1.048) 1.088 17.522 ( 0.000 0.292 1.048) 1.088 17.673 ( 0.000 -0.220 2.197) 2.208 17.673 ( 0.000 0.220 2.197) 2.208 21.666 ( 0.000 -0.473 0.009) 0.473 21.666 ( 0.000 0.473 0.009) 0.473 21.695 ( 0.000 -0.437 0.143) 0.460 21.695 ( 0.000 0.437 0.143) 0.460 21.928 ( 0.000 -0.312 -0.081) 0.323 21.928 ( 0.000 0.312 -0.081) 0.323 22.104 ( 0.000 -0.696 -2.303) 2.406 22.104 ( 0.000 0.696 -2.303) 2.406 22.201 ( 0.000 -0.015 0.770) 0.770 22.201 ( 0.000 0.015 0.770) 0.770 22.225 ( 0.000 -0.128 -0.841) 0.851 22.225 ( 0.000 0.128 -0.841) 0.851 26.877 ( 0.000 -0.159 -0.752) 0.769 26.877 ( 0.000 0.159 -0.752) 0.769 26.882 ( 0.000 -0.069 -0.590) 0.594 26.882 ( 0.000 0.069 -0.590) 0.594 27.055 ( 0.000 -0.045 0.712) 0.713 27.055 ( 0.000 0.045 0.712) 0.713 27.103 ( 0.000 -0.001 1.032) 1.032 27.103 ( 0.000 0.001 1.032) 1.032 27.381 ( 0.000 -0.022 -0.247) 0.248 27.381 ( 0.000 0.022 -0.247) 0.248 27.512 ( 0.000 -0.195 0.248) 0.316 27.512 ( 0.000 0.195 0.248) 0.316 36.185 ( 0.000 -0.005 3.162) 3.162 36.185 ( 0.000 0.005 3.162) 3.162 36.255 ( 0.000 -0.606 -2.249) 2.329 36.255 ( 0.000 0.606 -2.249) 2.329 36.769 ( 0.000 -0.344 1.747) 1.781 36.769 ( 0.000 0.344 1.747) 1.781 36.906 ( 0.000 -2.700 3.419) 4.357 36.906 ( 0.000 2.700 3.419) 4.357 37.030 ( 0.000 -0.484 2.274) 2.325 37.030 ( 0.000 0.484 2.274) 2.325 37.261 ( 0.000 -4.179 2.057) 4.658 37.261 ( 0.000 4.179 2.057) 4.658 37.344 ( 0.000 -1.399 4.932) 5.127 37.344 ( 0.000 1.399 4.932) 5.127 37.589 ( 0.000 -2.481 -3.654) 4.417 37.589 ( 0.000 2.481 -3.654) 4.417 38.120 ( 0.000 -0.021 0.581) 0.581 38.120 ( 0.000 0.021 0.581) 0.581 38.163 ( 0.000 -0.225 -0.696) 0.732 38.163 ( 0.000 0.225 -0.696) 0.732 38.544 ( 0.000 -12.499 4.348) 13.234 38.544 ( 0.000 12.499 4.348) 13.234 38.756 ( 0.000 -7.659 -7.967) 11.052 38.756 ( 0.000 7.659 -7.967) 11.052 ======================= Grid point 86 (34/36) ======================= q-point: ( 0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 13.614 -6.552 9.958) 18.095 1.405 ( 13.614 6.552 9.958) 18.095 1.665 ( 7.581 -13.056 11.979) 19.272 1.665 ( 7.581 13.056 11.979) 19.272 1.804 ( 0.077 -0.460 -0.056) 0.469 1.804 ( 0.077 0.460 -0.056) 0.469 1.862 ( 4.632 -12.535 -7.730) 15.438 1.862 ( 4.632 12.535 -7.730) 15.438 2.167 ( 2.993 -1.053 1.112) 3.362 2.167 ( 2.993 1.053 1.112) 3.362 2.259 ( 3.036 -2.087 -6.838) 7.767 2.259 ( 3.036 2.087 -6.838) 7.767 2.393 ( 2.752 -1.740 3.473) 4.761 2.393 ( 2.752 1.740 3.473) 4.761 2.542 ( 0.954 -1.477 4.426) 4.762 2.542 ( 0.954 1.477 4.426) 4.762 2.638 ( 0.798 -5.415 -1.443) 5.660 2.638 ( 0.798 5.415 -1.443) 5.660 2.725 ( 1.040 -1.757 6.570) 6.880 2.725 ( 1.040 1.757 6.570) 6.880 2.860 ( 1.184 -2.468 4.088) 4.919 2.860 ( 1.184 2.468 4.088) 4.919 2.999 ( 0.440 -2.403 -3.601) 4.351 2.999 ( 0.440 2.403 -3.601) 4.351 3.079 ( -3.382 -2.462 -5.250) 6.713 3.079 ( -3.382 2.462 -5.250) 6.713 3.140 ( 1.174 -5.175 7.380) 9.089 3.140 ( 1.174 5.175 7.380) 9.089 3.226 ( 3.283 -1.528 1.142) 3.797 3.226 ( 3.283 1.528 1.142) 3.797 3.338 ( 3.650 -2.184 0.593) 4.295 3.338 ( 3.650 2.184 0.593) 4.295 3.419 ( -1.239 -2.793 -1.747) 3.519 3.419 ( -1.239 2.793 -1.747) 3.519 3.526 ( 3.583 -1.318 -0.794) 3.900 3.526 ( 3.583 1.318 -0.794) 3.900 3.675 ( 2.846 -6.663 1.261) 7.355 3.675 ( 2.846 6.663 1.261) 7.355 3.702 ( 2.779 -1.295 -2.508) 3.961 3.702 ( 2.779 1.295 -2.508) 3.961 3.760 ( 4.776 -2.560 -0.529) 5.445 3.760 ( 4.776 2.560 -0.529) 5.445 3.904 ( -4.068 -3.292 -5.408) 7.526 3.904 ( -4.068 3.292 -5.408) 7.526 3.965 ( 0.402 -6.178 -13.063) 14.456 3.965 ( 0.402 6.178 -13.063) 14.456 4.200 ( 1.187 -2.964 6.473) 7.218 4.200 ( 1.187 2.964 6.473) 7.218 4.277 ( 6.498 -1.768 2.963) 7.357 4.277 ( 6.498 1.768 2.963) 7.357 4.432 ( 3.778 -5.972 -3.007) 7.680 4.432 ( 3.778 5.972 -3.007) 7.680 4.591 ( 2.517 -2.734 2.212) 4.324 4.591 ( 2.517 2.734 2.212) 4.324 4.629 ( -5.191 -1.656 6.420) 8.420 4.629 ( -5.191 1.656 6.420) 8.420 4.714 ( 2.828 -4.735 -6.395) 8.445 4.714 ( 2.828 4.735 -6.395) 8.445 4.861 ( -4.842 -2.514 -3.634) 6.555 4.861 ( -4.842 2.514 -3.634) 6.555 4.954 ( -0.967 -1.206 0.862) 1.770 4.954 ( -0.967 1.206 0.862) 1.770 5.080 ( 4.909 -0.974 4.472) 6.712 5.080 ( 4.909 0.974 4.472) 6.712 5.191 ( -2.982 -1.990 0.225) 3.592 5.191 ( -2.982 1.990 0.225) 3.592 5.292 ( -3.592 -1.648 -3.183) 5.074 5.292 ( -3.592 1.648 -3.183) 5.074 5.471 ( -6.861 -1.298 1.448) 7.132 5.471 ( -6.861 1.298 1.448) 7.132 5.506 ( -3.144 -3.530 -2.033) 5.146 5.506 ( -3.144 3.530 -2.033) 5.146 5.603 ( -2.501 -2.468 -0.935) 3.636 5.603 ( -2.501 2.468 -0.935) 3.636 5.778 ( -1.751 -3.315 5.164) 6.382 5.778 ( -1.751 3.315 5.164) 6.382 5.873 ( -0.243 -3.227 -4.218) 5.317 5.873 ( -0.243 3.227 -4.218) 5.317 5.972 ( 3.598 -0.345 -1.538) 3.928 5.972 ( 3.598 0.345 -1.538) 3.928 6.093 ( -2.822 -0.778 1.390) 3.240 6.093 ( -2.822 0.778 1.390) 3.240 6.165 ( -3.364 -4.091 1.936) 5.639 6.165 ( -3.364 4.091 1.936) 5.639 6.198 ( -1.919 -5.488 0.715) 5.858 6.198 ( -1.919 5.488 0.715) 5.858 6.366 ( -0.180 -1.245 -0.046) 1.259 6.366 ( -0.180 1.245 -0.046) 1.259 6.454 ( -2.954 -3.049 -0.001) 4.245 6.454 ( -2.954 3.049 -0.001) 4.245 6.478 ( -0.601 -1.201 -1.000) 1.674 6.478 ( -0.601 1.201 -1.000) 1.674 6.641 ( 0.755 -2.081 4.224) 4.769 6.641 ( 0.755 2.081 4.224) 4.769 6.745 ( 1.267 -3.491 1.896) 4.170 6.745 ( 1.267 3.491 1.896) 4.170 6.823 ( 0.480 -2.784 -0.599) 2.888 6.823 ( 0.480 2.784 -0.599) 2.888 6.874 ( 1.897 -0.446 -4.497) 4.901 6.874 ( 1.897 0.446 -4.497) 4.901 7.097 ( 0.985 -1.125 1.942) 2.451 7.097 ( 0.985 1.125 1.942) 2.451 7.160 ( -2.092 -4.310 -4.525) 6.590 7.160 ( -2.092 4.310 -4.525) 6.590 7.347 ( 1.196 -0.797 0.413) 1.496 7.347 ( 1.196 0.797 0.413) 1.496 7.468 ( -2.681 -0.381 0.944) 2.868 7.468 ( -2.681 0.381 0.944) 2.868 7.623 ( 4.115 -0.989 1.370) 4.449 7.623 ( 4.115 0.989 1.370) 4.449 7.676 ( -1.328 -1.394 0.760) 2.070 7.676 ( -1.328 1.394 0.760) 2.070 7.741 ( 0.080 -1.013 1.250) 1.611 7.741 ( 0.080 1.013 1.250) 1.611 7.826 ( 0.549 -0.640 -4.175) 4.259 7.826 ( 0.549 0.640 -4.175) 4.259 8.109 ( -1.076 -2.270 1.785) 3.081 8.109 ( -1.076 2.270 1.785) 3.081 8.163 ( -2.218 -3.001 4.864) 6.130 8.163 ( -2.218 3.001 4.864) 6.130 8.301 ( 4.773 -2.594 -0.766) 5.486 8.301 ( 4.773 2.594 -0.766) 5.486 8.349 ( 1.248 -0.937 2.543) 2.984 8.349 ( 1.248 0.937 2.543) 2.984 8.490 ( -3.420 -2.440 -3.171) 5.264 8.490 ( -3.420 2.440 -3.171) 5.264 8.517 ( 4.006 -2.406 -1.107) 4.803 8.517 ( 4.006 2.406 -1.107) 4.803 8.700 ( 2.552 -3.207 1.471) 4.354 8.700 ( 2.552 3.207 1.471) 4.354 8.858 ( 5.407 -3.016 -4.644) 7.740 8.858 ( 5.407 3.016 -4.644) 7.740 9.280 ( 0.597 -2.444 1.531) 2.945 9.280 ( 0.597 2.444 1.531) 2.945 9.399 ( 1.785 -1.874 1.122) 2.821 9.399 ( 1.785 1.874 1.122) 2.821 9.478 ( 1.574 -2.337 -6.531) 7.113 9.478 ( 1.574 2.337 -6.531) 7.113 9.628 ( 1.965 -1.351 -1.727) 2.944 9.628 ( 1.965 1.351 -1.727) 2.944 9.877 ( -6.804 -2.900 0.615) 7.422 9.877 ( -6.804 2.900 0.615) 7.422 10.559 ( -8.717 -5.581 1.673) 10.485 10.559 ( -8.717 5.581 1.673) 10.485 16.663 ( 0.400 -1.021 -1.700) 2.023 16.663 ( 0.400 1.021 -1.700) 2.023 16.679 ( 0.132 -0.730 -1.387) 1.573 16.679 ( 0.132 0.730 -1.387) 1.573 16.758 ( 3.603 -0.247 0.424) 3.636 16.758 ( 3.603 0.247 0.424) 3.636 16.846 ( 0.117 -0.487 -0.294) 0.581 16.846 ( 0.117 0.487 -0.294) 0.581 16.939 ( -1.235 -0.761 -2.308) 2.726 16.939 ( -1.235 0.761 -2.308) 2.726 17.029 ( 0.553 -0.881 0.026) 1.041 17.029 ( 0.553 0.881 0.026) 1.041 17.195 ( -0.919 -0.288 0.255) 0.996 17.195 ( -0.919 0.288 0.255) 0.996 17.245 ( -1.654 -0.541 0.190) 1.750 17.245 ( -1.654 0.541 0.190) 1.750 17.301 ( 1.079 -0.476 1.749) 2.110 17.301 ( 1.079 0.476 1.749) 2.110 17.359 ( -0.355 -0.261 0.611) 0.753 17.359 ( -0.355 0.261 0.611) 0.753 17.519 ( -0.135 -0.329 1.119) 1.174 17.519 ( -0.135 0.329 1.119) 1.174 17.666 ( -0.693 -0.294 2.092) 2.224 17.666 ( -0.693 0.294 2.092) 2.224 21.673 ( 0.606 -0.636 0.031) 0.879 21.673 ( 0.606 0.636 0.031) 0.879 21.701 ( 0.498 -0.964 0.063) 1.087 21.701 ( 0.498 0.964 0.063) 1.087 21.940 ( 1.084 -0.453 0.003) 1.175 21.940 ( 1.084 0.453 0.003) 1.175 22.091 ( -1.236 -0.836 -2.019) 2.511 22.091 ( -1.236 0.836 -2.019) 2.511 22.209 ( 0.591 -0.190 0.791) 1.005 22.209 ( 0.591 0.190 0.791) 1.005 22.229 ( 0.336 -0.181 -0.954) 1.027 22.229 ( 0.336 0.181 -0.954) 1.027 26.889 ( 0.934 -0.422 -0.512) 1.146 26.889 ( 0.934 0.422 -0.512) 1.146 26.890 ( 1.119 -0.373 -0.684) 1.364 26.890 ( 1.119 0.373 -0.684) 1.364 27.046 ( -0.892 -0.061 0.643) 1.102 27.046 ( -0.892 0.061 0.643) 1.102 27.093 ( -1.019 -0.026 0.909) 1.366 27.093 ( -1.019 0.026 0.909) 1.366 27.377 ( -0.304 -0.062 -0.191) 0.364 27.377 ( -0.304 0.062 -0.191) 0.364 27.494 ( -1.738 -0.162 0.318) 1.775 27.494 ( -1.738 0.162 0.318) 1.775 36.207 ( 2.285 -0.245 3.671) 4.331 36.207 ( 2.285 0.245 3.671) 4.331 36.287 ( 3.288 -0.748 -2.489) 4.191 36.287 ( 3.288 0.748 -2.489) 4.191 36.774 ( 0.512 -0.410 1.921) 2.030 36.774 ( 0.512 0.410 1.921) 2.030 36.898 ( -1.070 -2.915 5.656) 6.453 36.898 ( -1.070 2.915 5.656) 6.453 36.986 ( -4.137 -1.867 3.116) 5.505 36.986 ( -4.137 1.867 3.116) 5.505 37.171 ( -8.646 -3.899 -1.960) 9.685 37.171 ( -8.646 3.899 -1.960) 9.685 37.319 ( -1.504 -1.665 6.099) 6.498 37.319 ( -1.504 1.665 6.099) 6.498 37.567 ( -3.826 -2.225 -4.061) 6.007 37.567 ( -3.826 2.225 -4.061) 6.007 37.966 ( -10.580 -3.709 0.252) 11.214 37.966 ( -10.580 3.709 0.252) 11.214 38.107 ( -4.128 -3.851 -2.833) 6.316 38.107 ( -4.128 3.851 -2.833) 6.316 38.680 ( 10.503 -7.972 7.009) 14.934 38.680 ( 10.503 7.972 7.009) 14.934 38.861 ( 8.293 -8.627 -8.957) 14.947 38.861 ( 8.293 8.627 -8.957) 14.947 ======================= Grid point 88 (35/36) ======================= q-point: ( 0.29 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 5.358 -4.515 12.712) 14.515 1.590 ( 5.358 4.515 12.712) 14.515 1.814 ( 3.439 -4.664 -1.521) 5.990 1.814 ( 3.439 4.664 -1.521) 5.990 1.889 ( 10.022 -6.056 0.903) 11.744 1.889 ( 10.022 6.056 0.903) 11.744 2.005 ( 10.035 -4.914 -2.443) 11.437 2.005 ( 10.035 4.914 -2.443) 11.437 2.221 ( 2.084 -4.614 2.654) 5.716 2.221 ( 2.084 4.614 2.654) 5.716 2.312 ( 1.829 -3.610 -6.979) 8.067 2.312 ( 1.829 3.610 -6.979) 8.067 2.435 ( -0.148 -1.639 5.072) 5.332 2.435 ( -0.148 1.639 5.072) 5.332 2.519 ( -2.698 -4.161 -2.471) 5.541 2.519 ( -2.698 4.161 -2.471) 5.541 2.651 ( -0.223 -2.100 1.326) 2.493 2.651 ( -0.223 2.100 1.326) 2.493 2.771 ( 3.108 -2.943 2.501) 4.957 2.771 ( 3.108 2.943 2.501) 4.957 2.907 ( -0.365 -5.950 0.941) 6.035 2.907 ( -0.365 5.950 0.941) 6.035 3.007 ( -0.085 -5.528 -2.921) 6.253 3.007 ( -0.085 5.528 -2.921) 6.253 3.058 ( 2.924 -1.072 -3.004) 4.327 3.058 ( 2.924 1.072 -3.004) 4.327 3.179 ( 5.426 -4.050 5.021) 8.429 3.179 ( 5.426 4.050 5.021) 8.429 3.291 ( 2.208 -3.790 2.302) 4.953 3.291 ( 2.208 3.790 2.302) 4.953 3.389 ( 0.426 -2.099 -0.620) 2.230 3.389 ( 0.426 2.099 -0.620) 2.230 3.443 ( 3.408 -0.903 1.002) 3.666 3.443 ( 3.408 0.903 1.002) 3.666 3.624 ( 4.104 -2.778 -0.165) 4.959 3.624 ( 4.104 2.778 -0.165) 4.959 3.647 ( -1.716 -2.509 -4.786) 5.670 3.647 ( -1.716 2.509 -4.786) 5.670 3.774 ( -2.031 -1.237 -0.989) 2.575 3.774 ( -2.031 1.237 -0.989) 2.575 3.812 ( 3.986 -3.934 1.897) 5.914 3.812 ( 3.986 3.934 1.897) 5.914 3.924 ( 8.201 -1.314 -1.255) 8.400 3.924 ( 8.201 1.314 -1.255) 8.400 4.008 ( 3.687 -3.826 -7.651) 9.315 4.008 ( 3.687 3.826 -7.651) 9.315 4.212 ( 0.289 -2.851 4.890) 5.668 4.212 ( 0.289 2.851 4.890) 5.668 4.420 ( 5.592 -2.907 3.283) 7.106 4.420 ( 5.592 2.907 3.283) 7.106 4.512 ( 1.340 -3.089 2.322) 4.090 4.512 ( 1.340 3.089 2.322) 4.090 4.563 ( 2.148 -2.626 1.472) 3.698 4.563 ( 2.148 2.626 1.472) 3.698 4.665 ( 1.621 -1.487 3.320) 3.982 4.665 ( 1.621 1.487 3.320) 3.982 4.736 ( -1.417 -4.861 -4.187) 6.570 4.736 ( -1.417 4.861 -4.187) 6.570 4.830 ( 4.185 -1.859 -5.929) 7.492 4.830 ( 4.185 1.859 -5.929) 7.492 4.920 ( -1.677 -2.843 3.137) 4.554 4.920 ( -1.677 2.843 3.137) 4.554 5.123 ( -3.367 -3.440 -0.702) 4.864 5.123 ( -3.367 3.440 -0.702) 4.864 5.140 ( -0.076 -1.349 0.762) 1.552 5.140 ( -0.076 1.349 0.762) 1.552 5.221 ( -2.871 -0.950 -1.846) 3.543 5.221 ( -2.871 0.950 -1.846) 3.543 5.342 ( -3.025 -2.205 5.335) 6.518 5.342 ( -3.025 2.205 5.335) 6.518 5.466 ( -2.230 -5.109 -5.018) 7.500 5.466 ( -2.230 5.109 -5.018) 7.500 5.526 ( -4.881 -2.152 0.256) 5.341 5.526 ( -4.881 2.152 0.256) 5.341 5.673 ( -8.712 -2.698 2.399) 9.430 5.673 ( -8.712 2.698 2.399) 9.430 5.849 ( -1.412 -2.576 -4.290) 5.200 5.849 ( -1.412 2.576 -4.290) 5.200 5.978 ( -1.974 -0.186 -1.350) 2.399 5.978 ( -1.974 0.186 -1.350) 2.399 6.079 ( -1.811 -2.010 -0.518) 2.755 6.079 ( -1.811 2.010 -0.518) 2.755 6.132 ( 2.048 -0.651 3.391) 4.014 6.132 ( 2.048 0.651 3.391) 4.014 6.184 ( -0.534 -1.377 0.337) 1.515 6.184 ( -0.534 1.377 0.337) 1.515 6.297 ( -3.161 -1.471 -1.183) 3.682 6.297 ( -3.161 1.471 -1.183) 3.682 6.420 ( -0.125 -1.103 0.674) 1.299 6.420 ( -0.125 1.103 0.674) 1.299 6.507 ( 0.415 -1.468 -0.904) 1.773 6.507 ( 0.415 1.468 -0.904) 1.773 6.638 ( 0.006 -3.786 3.281) 5.010 6.638 ( 0.006 3.786 3.281) 5.010 6.709 ( -3.953 -1.492 0.324) 4.237 6.709 ( -3.953 1.492 0.324) 4.237 6.791 ( -3.789 -2.509 -1.732) 4.864 6.791 ( -3.789 2.509 -1.732) 4.864 6.897 ( -0.533 -0.645 -1.207) 1.468 6.897 ( -0.533 0.645 -1.207) 1.468 7.084 ( 1.517 -2.730 -0.574) 3.175 7.084 ( 1.517 2.730 -0.574) 3.175 7.223 ( 4.618 -2.185 0.800) 5.171 7.223 ( 4.618 2.185 0.800) 5.171 7.407 ( 1.518 -2.381 1.074) 3.021 7.407 ( 1.518 2.381 1.074) 3.021 7.412 ( 1.073 -1.518 0.433) 1.909 7.412 ( 1.073 1.518 0.433) 1.909 7.612 ( -2.952 -1.050 2.563) 4.048 7.612 ( -2.952 1.050 2.563) 4.048 7.719 ( 2.457 -2.723 0.329) 3.683 7.719 ( 2.457 2.723 0.329) 3.683 7.765 ( 2.392 -1.928 -0.926) 3.209 7.765 ( 2.392 1.928 -0.926) 3.209 7.857 ( 1.203 -0.867 -0.952) 1.762 7.857 ( 1.203 0.867 -0.952) 1.762 8.064 ( -3.928 -2.132 3.976) 5.982 8.064 ( -3.928 2.132 3.976) 5.982 8.103 ( -2.469 -1.837 0.302) 3.092 8.103 ( -2.469 1.837 0.302) 3.092 8.277 ( -0.996 -1.229 3.034) 3.422 8.277 ( -0.996 1.229 3.034) 3.422 8.401 ( -3.618 -1.282 2.373) 4.513 8.401 ( -3.618 1.282 2.373) 4.513 8.520 ( 8.804 -1.764 0.087) 8.979 8.520 ( 8.804 1.764 0.087) 8.979 8.623 ( 5.566 -2.830 -4.779) 7.863 8.623 ( 5.566 2.830 -4.779) 7.863 8.774 ( 4.617 -2.023 -0.003) 5.041 8.774 ( 4.617 2.023 -0.003) 5.041 8.945 ( 2.761 -2.505 -4.717) 6.012 8.945 ( 2.761 2.505 -4.717) 6.012 9.289 ( 0.693 -1.241 0.009) 1.422 9.289 ( 0.693 1.241 0.009) 1.422 9.441 ( 1.771 -2.578 1.159) 3.335 9.441 ( 1.771 2.578 1.159) 3.335 9.508 ( 1.366 -3.526 -5.105) 6.353 9.508 ( 1.366 3.526 -5.105) 6.353 9.665 ( -3.350 -1.266 -1.641) 3.939 9.665 ( -3.350 1.266 -1.641) 3.939 9.741 ( -0.845 -1.624 -0.991) 2.081 9.741 ( -0.845 1.624 -0.991) 2.081 10.333 ( -13.235 -3.198 1.487) 13.697 10.333 ( -13.235 3.198 1.487) 13.697 16.672 ( 0.452 -1.678 -1.028) 2.019 16.672 ( 0.452 1.678 -1.028) 2.019 16.682 ( 0.188 -1.295 -1.407) 1.921 16.682 ( 0.188 1.295 -1.407) 1.921 16.822 ( 1.555 -0.410 1.465) 2.176 16.822 ( 1.555 0.410 1.465) 2.176 16.860 ( 1.012 -0.404 -2.298) 2.543 16.860 ( 1.012 0.404 -2.298) 2.543 16.934 ( 2.123 -0.898 -2.268) 3.234 16.934 ( 2.123 0.898 -2.268) 3.234 17.052 ( 1.819 -0.706 0.095) 1.954 17.052 ( 1.819 0.706 0.095) 1.954 17.153 ( -2.847 -0.818 0.165) 2.966 17.153 ( -2.847 0.818 0.165) 2.966 17.231 ( -0.432 -0.886 -0.142) 0.996 17.231 ( -0.432 0.886 -0.142) 0.996 17.318 ( 0.197 -1.256 1.796) 2.201 17.318 ( 0.197 1.256 1.796) 2.201 17.332 ( -1.954 -0.489 0.786) 2.162 17.332 ( -1.954 0.489 0.786) 2.162 17.525 ( 0.924 -0.259 1.382) 1.683 17.525 ( 0.924 0.259 1.382) 1.683 17.645 ( -1.493 -0.315 1.892) 2.431 17.645 ( -1.493 0.315 1.892) 2.431 21.687 ( 0.811 -0.970 0.067) 1.266 21.687 ( 0.811 0.970 0.067) 1.266 21.710 ( 0.304 -1.452 -0.018) 1.484 21.710 ( 0.304 1.452 -0.018) 1.484 21.967 ( 1.547 -0.743 0.111) 1.719 21.967 ( 1.547 0.743 0.111) 1.719 22.062 ( -1.579 -1.050 -1.359) 2.333 22.062 ( -1.579 1.050 -1.359) 2.333 22.221 ( 0.600 -0.307 0.427) 0.798 22.221 ( 0.600 0.307 0.427) 0.798 22.236 ( 0.295 -0.248 -0.796) 0.884 22.236 ( 0.295 0.248 -0.796) 0.884 26.912 ( 1.435 -0.045 -0.327) 1.473 26.912 ( 1.435 0.045 -0.327) 1.473 26.923 ( 2.001 -0.039 -0.456) 2.053 26.923 ( 2.001 0.039 -0.456) 2.053 27.022 ( -1.431 -0.070 0.453) 1.503 27.022 ( -1.431 0.070 0.453) 1.503 27.064 ( -1.786 -0.053 0.627) 1.894 27.064 ( -1.786 0.053 0.627) 1.894 27.374 ( 0.063 -0.080 -0.046) 0.112 27.374 ( 0.063 0.080 -0.046) 0.112 27.452 ( -2.256 -0.083 0.355) 2.285 27.452 ( -2.256 0.083 0.355) 2.285 36.279 ( 4.999 -0.587 5.260) 7.281 36.279 ( 4.999 0.587 5.260) 7.281 36.386 ( 6.659 -0.789 -2.957) 7.328 36.386 ( 6.659 0.789 -2.957) 7.328 36.783 ( -2.157 -1.071 5.772) 6.254 36.783 ( -2.157 1.071 5.772) 6.254 36.809 ( -6.433 -3.232 10.513) 12.742 36.809 ( -6.433 3.232 10.513) 12.742 36.921 ( -1.276 -1.561 -0.902) 2.209 36.921 ( -1.276 1.561 -0.902) 2.209 37.013 ( -5.859 -4.304 -5.056) 8.856 37.013 ( -5.859 4.304 -5.056) 8.856 37.244 ( -5.910 -2.240 1.077) 6.412 37.244 ( -5.910 2.240 1.077) 6.412 37.416 ( -10.597 -3.133 -6.025) 12.586 37.416 ( -10.597 3.133 -6.025) 12.586 37.837 ( -1.312 -5.453 2.888) 6.308 37.837 ( -1.312 5.453 2.888) 6.308 38.033 ( -3.484 -6.594 -3.354) 8.177 38.033 ( -3.484 6.594 -3.354) 8.177 38.890 ( 9.833 -4.520 5.177) 11.997 38.890 ( 9.833 4.520 5.177) 11.997 39.015 ( 6.299 -6.396 -6.749) 11.231 39.015 ( 6.299 6.396 -6.749) 11.231 ======================= Grid point 90 (36/36) ======================= q-point: ( 0.43 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 5.903 -2.812 4.997) 8.229 1.694 ( 5.903 2.812 4.997) 8.229 1.804 ( -4.086 -3.255 -3.230) 6.142 1.804 ( -4.086 3.255 -3.230) 6.142 2.101 ( 10.474 -6.030 4.659) 12.952 2.101 ( 10.474 6.030 4.659) 12.952 2.205 ( 6.359 -0.425 0.950) 6.444 2.205 ( 6.359 0.425 0.950) 6.444 2.264 ( 1.114 -7.383 4.448) 8.691 2.264 ( 1.114 7.383 4.448) 8.691 2.323 ( -0.288 -5.234 -3.694) 6.412 2.323 ( -0.288 5.234 -3.694) 6.412 2.363 ( -2.850 -8.338 -1.725) 8.979 2.363 ( -2.850 8.338 -1.725) 8.979 2.464 ( -5.020 -2.548 -3.302) 6.526 2.464 ( -5.020 2.548 -3.302) 6.526 2.648 ( 2.336 -2.091 2.904) 4.273 2.648 ( 2.336 2.091 2.904) 4.273 2.747 ( -5.730 -1.634 0.055) 5.959 2.747 ( -5.730 1.634 0.055) 5.959 2.931 ( 4.204 -8.242 1.966) 9.458 2.931 ( 4.204 8.242 1.966) 9.458 2.994 ( -1.717 -8.179 -2.577) 8.746 2.994 ( -1.717 8.179 -2.577) 8.746 3.147 ( 5.148 -1.138 -2.194) 5.711 3.147 ( 5.148 1.138 -2.194) 5.711 3.228 ( -2.298 -1.104 -1.002) 2.739 3.228 ( -2.298 1.104 -1.002) 2.739 3.342 ( 3.120 -2.280 2.758) 4.747 3.342 ( 3.120 2.280 2.758) 4.747 3.418 ( -1.941 -3.094 3.308) 4.928 3.418 ( -1.941 3.094 3.308) 4.928 3.476 ( 3.270 -3.044 -4.282) 6.188 3.476 ( 3.270 3.044 -4.282) 6.188 3.543 ( -2.620 -3.380 -5.255) 6.775 3.543 ( -2.620 3.380 -5.255) 6.775 3.743 ( -0.491 -1.130 0.906) 1.529 3.743 ( -0.491 1.130 0.906) 1.529 3.751 ( 0.803 -2.443 -0.582) 2.637 3.751 ( 0.803 2.443 -0.582) 2.637 3.907 ( 7.108 -2.192 -0.335) 7.446 3.907 ( 7.108 2.192 -0.335) 7.446 4.018 ( -1.292 -1.514 0.037) 1.991 4.018 ( -1.292 1.514 0.037) 1.991 4.143 ( 9.199 -2.862 2.493) 9.952 4.143 ( 9.199 2.862 2.493) 9.952 4.309 ( 8.126 -1.162 -2.464) 8.570 4.309 ( 8.126 1.162 -2.464) 8.570 4.362 ( -5.868 -2.160 6.349) 8.911 4.362 ( -5.868 2.160 6.349) 8.911 4.551 ( -5.945 -3.190 1.686) 6.954 4.551 ( -5.945 3.190 1.686) 6.954 4.590 ( 5.046 -5.755 0.534) 7.672 4.590 ( 5.046 5.755 0.534) 7.672 4.678 ( -0.561 -4.510 -1.856) 4.909 4.678 ( -0.561 4.510 -1.856) 4.909 4.745 ( 1.970 -1.598 5.380) 5.949 4.745 ( 1.970 1.598 5.380) 5.949 4.845 ( -4.901 -1.009 0.107) 5.005 4.845 ( -4.901 1.009 0.107) 5.005 4.955 ( 5.173 -1.168 2.710) 5.955 4.955 ( 5.173 1.168 2.710) 5.955 5.027 ( -3.116 -1.128 -0.697) 3.387 5.027 ( -3.116 1.128 -0.697) 3.387 5.163 ( 2.035 -1.288 -5.042) 5.588 5.163 ( 2.035 1.288 -5.042) 5.588 5.216 ( 0.257 -1.856 3.315) 3.807 5.216 ( 0.257 1.856 3.315) 3.807 5.318 ( -1.172 -2.549 4.305) 5.138 5.318 ( -1.172 2.549 4.305) 5.138 5.392 ( -3.188 -1.257 2.429) 4.200 5.392 ( -3.188 1.257 2.429) 4.200 5.469 ( -1.270 -2.366 -4.752) 5.458 5.469 ( -1.270 2.366 -4.752) 5.458 5.520 ( -4.033 -0.446 -4.948) 6.399 5.520 ( -4.033 0.446 -4.948) 6.399 5.852 ( 1.875 -1.079 -1.928) 2.898 5.852 ( 1.875 1.079 -1.928) 2.898 5.917 ( -3.984 -0.605 -0.942) 4.138 5.917 ( -3.984 0.605 -0.942) 4.138 6.044 ( -0.759 -2.674 -1.618) 3.216 6.044 ( -0.759 2.674 -1.618) 3.216 6.075 ( -4.349 -2.415 -0.387) 4.990 6.075 ( -4.349 2.415 -0.387) 4.990 6.247 ( 5.150 -0.933 -0.164) 5.236 6.247 ( 5.150 0.933 -0.164) 5.236 6.305 ( 0.928 -1.089 -0.031) 1.431 6.305 ( 0.928 1.089 -0.031) 1.431 6.432 ( -0.101 -0.757 1.527) 1.707 6.432 ( -0.101 0.757 1.527) 1.707 6.453 ( -3.109 -0.288 0.677) 3.195 6.453 ( -3.109 0.288 0.677) 3.195 6.620 ( -1.220 -2.640 0.001) 2.908 6.620 ( -1.220 2.640 0.001) 2.908 6.655 ( -2.871 -2.655 -1.482) 4.181 6.655 ( -2.871 2.655 -1.482) 4.181 6.762 ( 3.177 -0.578 -0.795) 3.326 6.762 ( 3.177 0.578 -0.795) 3.326 6.847 ( -4.034 -0.619 -0.974) 4.196 6.847 ( -4.034 0.619 -0.974) 4.196 7.151 ( 4.295 -1.409 0.142) 4.523 7.151 ( 4.295 1.409 0.142) 4.523 7.234 ( -3.386 -2.272 0.626) 4.126 7.234 ( -3.386 2.272 0.626) 4.126 7.430 ( 3.965 -1.412 3.074) 5.212 7.430 ( 3.965 1.412 3.074) 5.212 7.493 ( -0.133 -1.014 2.491) 2.693 7.493 ( -0.133 1.014 2.491) 2.693 7.584 ( 3.120 -2.530 0.478) 4.045 7.584 ( 3.120 2.530 0.478) 4.045 7.692 ( -5.080 -2.540 0.151) 5.682 7.692 ( -5.080 2.540 0.151) 5.682 7.831 ( 4.159 -0.811 -0.209) 4.242 7.831 ( 4.159 0.811 -0.209) 4.242 7.883 ( 0.774 -1.751 0.076) 1.916 7.883 ( 0.774 1.751 0.076) 1.916 7.995 ( -1.490 -1.369 2.665) 3.346 7.995 ( -1.490 1.369 2.665) 3.346 8.041 ( -3.923 -0.559 0.803) 4.043 8.041 ( -3.923 0.559 0.803) 4.043 8.291 ( 1.888 -0.876 3.628) 4.182 8.291 ( 1.888 0.876 3.628) 4.182 8.338 ( -2.761 -0.802 4.167) 5.063 8.338 ( -2.761 0.802 4.167) 5.063 8.660 ( 5.049 -2.254 -0.795) 5.586 8.660 ( 5.049 2.254 -0.795) 5.586 8.704 ( 1.212 -2.562 -4.482) 5.303 8.704 ( 1.212 2.562 -4.482) 5.303 8.875 ( 5.317 -1.798 -0.253) 5.619 8.875 ( 5.317 1.798 -0.253) 5.619 8.955 ( -1.960 -1.978 -3.337) 4.346 8.955 ( -1.960 1.978 -3.337) 4.346 9.329 ( 3.745 -0.994 -1.630) 4.203 9.329 ( 3.745 0.994 -1.630) 4.203 9.426 ( -4.463 -2.115 -1.145) 5.069 9.426 ( -4.463 2.115 -1.145) 5.069 9.530 ( 0.858 -2.730 -2.850) 4.039 9.530 ( 0.858 2.730 -2.850) 4.039 9.553 ( -2.635 -2.148 -2.742) 4.367 9.553 ( -2.635 2.148 -2.742) 4.367 9.851 ( 8.595 -0.072 -0.387) 8.604 9.851 ( 8.595 0.072 -0.387) 8.604 10.067 ( -12.839 -1.261 0.584) 12.914 10.067 ( -12.839 1.261 0.584) 12.914 16.680 ( 0.318 -1.742 -0.789) 1.938 16.680 ( 0.318 1.742 -0.789) 1.938 16.684 ( -0.064 -1.621 -1.089) 1.954 16.684 ( -0.064 1.621 -1.089) 1.954 16.839 ( 0.721 -0.659 -0.517) 1.105 16.839 ( 0.721 0.659 -0.517) 1.105 16.855 ( -0.842 -0.676 -1.810) 2.107 16.855 ( -0.842 0.676 -1.810) 2.107 17.018 ( 4.564 -1.261 -0.917) 4.823 17.018 ( 4.564 1.261 -0.917) 4.823 17.090 ( -2.450 -1.763 0.219) 3.027 17.090 ( -2.450 1.763 0.219) 3.027 17.109 ( 3.121 -1.271 -0.422) 3.396 17.109 ( 3.121 1.271 -0.422) 3.396 17.192 ( -3.803 -0.975 -0.224) 3.933 17.192 ( -3.803 0.975 -0.224) 3.933 17.304 ( 0.004 -0.665 1.130) 1.311 17.304 ( 0.004 0.665 1.130) 1.311 17.315 ( -0.671 -0.263 1.182) 1.384 17.315 ( -0.671 0.263 1.182) 1.384 17.558 ( 2.275 -0.191 1.692) 2.842 17.558 ( 2.275 0.191 1.692) 2.842 17.606 ( -2.365 -0.281 1.795) 2.983 17.606 ( -2.365 0.281 1.795) 2.983 21.702 ( 0.632 -1.290 0.051) 1.437 21.702 ( 0.632 1.290 0.051) 1.437 21.711 ( -0.198 -1.502 0.000) 1.515 21.711 ( -0.198 1.502 0.000) 1.515 21.998 ( 1.602 -0.990 -0.059) 1.884 21.998 ( 1.602 0.990 -0.059) 1.884 22.030 ( -1.607 -1.110 -0.605) 2.045 22.030 ( -1.607 1.110 -0.605) 2.045 22.232 ( 0.474 -0.316 -0.090) 0.577 22.232 ( 0.474 0.316 -0.090) 0.577 22.238 ( -0.119 -0.285 -0.468) 0.560 22.238 ( -0.119 0.285 -0.468) 0.560 26.944 ( 1.638 -0.023 -0.096) 1.641 26.944 ( 1.638 0.023 -0.096) 1.641 26.960 ( 0.991 -0.017 -0.075) 0.994 26.960 ( 0.991 0.017 -0.075) 0.994 26.997 ( -0.402 -0.028 0.169) 0.437 26.997 ( -0.402 0.028 0.169) 0.437 27.025 ( -2.119 -0.045 0.291) 2.139 27.025 ( -2.119 0.045 0.291) 2.139 27.383 ( 0.934 -0.062 0.128) 0.945 27.383 ( 0.934 0.062 0.128) 0.945 27.411 ( -1.808 -0.040 0.275) 1.829 27.411 ( -1.808 0.040 0.275) 1.829 36.405 ( 7.566 -0.470 7.787) 10.867 36.405 ( 7.566 0.470 7.787) 10.867 36.525 ( 3.185 -0.654 1.240) 3.480 36.525 ( 3.185 0.654 1.240) 3.480 36.621 ( -3.962 -1.220 7.077) 8.202 36.621 ( -3.962 1.220 7.077) 8.202 36.740 ( -7.015 -0.931 0.504) 7.095 36.740 ( -7.015 0.931 0.504) 7.095 36.922 ( 2.022 -1.306 -2.779) 3.677 36.922 ( 2.022 1.306 -2.779) 3.677 36.957 ( -0.960 -1.373 -2.260) 2.813 36.957 ( -0.960 1.373 -2.260) 2.813 37.146 ( -2.000 -1.026 -1.759) 2.854 37.146 ( -2.000 1.026 -1.759) 2.854 37.213 ( -8.255 -2.276 -4.643) 9.741 37.213 ( -8.255 2.276 -4.643) 9.741 37.875 ( 3.804 -5.631 1.634) 6.989 37.875 ( 3.804 5.631 1.634) 6.989 37.958 ( -4.172 -6.300 -1.244) 7.658 37.958 ( -4.172 6.300 -1.244) 7.658 39.044 ( 5.302 -3.386 1.246) 6.413 39.044 ( 5.302 3.386 1.246) 6.413 39.089 ( 0.885 -4.050 -2.782) 4.993 39.089 ( 0.885 4.050 -2.782) 4.993 =================== 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 3/30240 10.0 478.701 491.565 366.800 0.000 0.000 -0.000 3/30240 20.0 65.856 54.806 57.244 0.000 0.000 -0.000 3/30240 30.0 23.121 18.281 20.612 0.000 0.000 -0.000 3/30240 40.0 11.900 9.319 10.705 0.000 0.000 -0.000 3/30240 50.0 7.521 5.867 6.790 0.000 0.000 -0.000 3/30240 60.0 5.363 4.170 4.849 0.000 0.000 -0.000 3/30240 70.0 4.130 3.201 3.735 0.000 0.000 -0.000 3/30240 80.0 3.349 2.588 3.028 0.000 0.000 -0.000 3/30240 90.0 2.817 2.171 2.545 0.000 0.000 -0.000 3/30240 100.0 2.434 1.870 2.197 0.000 0.000 -0.000 3/30240 110.0 2.146 1.645 1.935 0.000 0.000 -0.000 3/30240 120.0 1.922 1.469 1.731 0.000 0.000 -0.000 3/30240 130.0 1.742 1.329 1.567 0.000 0.000 -0.000 3/30240 140.0 1.595 1.214 1.433 0.000 0.000 -0.000 3/30240 150.0 1.472 1.118 1.322 0.000 0.000 -0.000 3/30240 160.0 1.368 1.037 1.227 0.000 0.000 -0.000 3/30240 170.0 1.278 0.968 1.145 0.000 0.000 -0.000 3/30240 180.0 1.200 0.907 1.074 0.000 0.000 -0.000 3/30240 190.0 1.131 0.854 1.012 0.000 0.000 -0.000 3/30240 200.0 1.070 0.807 0.957 0.000 0.000 -0.000 3/30240 210.0 1.016 0.765 0.908 0.000 0.000 -0.000 3/30240 220.0 0.967 0.728 0.864 0.000 0.000 -0.000 3/30240 230.0 0.923 0.694 0.824 0.000 0.000 -0.000 3/30240 240.0 0.883 0.663 0.788 0.000 0.000 -0.000 3/30240 250.0 0.847 0.635 0.755 0.000 0.000 -0.000 3/30240 260.0 0.813 0.610 0.725 0.000 0.000 -0.000 3/30240 270.0 0.782 0.586 0.697 0.000 0.000 -0.000 3/30240 280.0 0.754 0.564 0.672 0.000 0.000 -0.000 3/30240 290.0 0.728 0.544 0.648 0.000 0.000 -0.000 3/30240 300.0 0.703 0.526 0.626 0.000 0.000 -0.000 3/30240 310.0 0.681 0.508 0.606 0.000 0.000 -0.000 3/30240 320.0 0.659 0.492 0.587 0.000 0.000 -0.000 3/30240 330.0 0.640 0.477 0.569 0.000 0.000 -0.000 3/30240 340.0 0.621 0.463 0.552 0.000 0.000 -0.000 3/30240 350.0 0.604 0.449 0.536 0.000 0.000 -0.000 3/30240 360.0 0.587 0.437 0.522 0.000 0.000 -0.000 3/30240 370.0 0.572 0.425 0.508 0.000 0.000 -0.000 3/30240 380.0 0.557 0.414 0.494 0.000 0.000 -0.000 3/30240 390.0 0.543 0.403 0.482 0.000 0.000 -0.000 3/30240 400.0 0.530 0.393 0.470 0.000 0.000 -0.000 3/30240 410.0 0.518 0.384 0.459 0.000 0.000 -0.000 3/30240 420.0 0.506 0.375 0.448 0.000 0.000 -0.000 3/30240 430.0 0.495 0.366 0.438 0.000 0.000 -0.000 3/30240 440.0 0.484 0.358 0.428 0.000 0.000 -0.000 3/30240 450.0 0.474 0.350 0.419 0.000 0.000 -0.000 3/30240 460.0 0.464 0.342 0.410 0.000 0.000 -0.000 3/30240 470.0 0.455 0.335 0.402 0.000 0.000 -0.000 3/30240 480.0 0.446 0.329 0.394 0.000 0.000 -0.000 3/30240 490.0 0.437 0.322 0.386 0.000 0.000 -0.000 3/30240 500.0 0.429 0.316 0.379 0.000 0.000 -0.000 3/30240 510.0 0.421 0.310 0.372 0.000 0.000 -0.000 3/30240 520.0 0.414 0.304 0.365 0.000 0.000 -0.000 3/30240 530.0 0.406 0.298 0.358 0.000 0.000 -0.000 3/30240 540.0 0.399 0.293 0.352 0.000 0.000 -0.000 3/30240 550.0 0.392 0.288 0.346 0.000 0.000 -0.000 3/30240 560.0 0.386 0.283 0.340 0.000 0.000 -0.000 3/30240 570.0 0.380 0.278 0.334 0.000 0.000 -0.000 3/30240 580.0 0.374 0.273 0.329 0.000 0.000 -0.000 3/30240 590.0 0.368 0.269 0.323 0.000 0.000 -0.000 3/30240 600.0 0.362 0.265 0.318 0.000 0.000 -0.000 3/30240 610.0 0.357 0.261 0.313 0.000 0.000 -0.000 3/30240 620.0 0.351 0.256 0.309 0.000 0.000 -0.000 3/30240 630.0 0.346 0.253 0.304 0.000 0.000 -0.000 3/30240 640.0 0.341 0.249 0.299 0.000 0.000 -0.000 3/30240 650.0 0.336 0.245 0.295 0.000 0.000 -0.000 3/30240 660.0 0.332 0.242 0.291 0.000 0.000 -0.000 3/30240 670.0 0.327 0.238 0.287 0.000 0.000 -0.000 3/30240 680.0 0.323 0.235 0.283 0.000 0.000 -0.000 3/30240 690.0 0.319 0.232 0.279 0.000 0.000 -0.000 3/30240 700.0 0.314 0.228 0.275 0.000 0.000 -0.000 3/30240 710.0 0.310 0.225 0.272 0.000 0.000 -0.000 3/30240 720.0 0.306 0.222 0.268 0.000 0.000 -0.000 3/30240 730.0 0.303 0.219 0.265 0.000 0.000 -0.000 3/30240 740.0 0.299 0.217 0.261 0.000 0.000 -0.000 3/30240 750.0 0.295 0.214 0.258 0.000 0.000 -0.000 3/30240 760.0 0.292 0.211 0.255 0.000 0.000 -0.000 3/30240 770.0 0.288 0.209 0.252 0.000 0.000 -0.000 3/30240 780.0 0.285 0.206 0.249 0.000 0.000 -0.000 3/30240 790.0 0.282 0.204 0.246 0.000 0.000 -0.000 3/30240 800.0 0.278 0.201 0.243 0.000 0.000 -0.000 3/30240 810.0 0.275 0.199 0.240 0.000 0.000 -0.000 3/30240 820.0 0.272 0.196 0.237 0.000 0.000 -0.000 3/30240 830.0 0.269 0.194 0.235 0.000 0.000 -0.000 3/30240 840.0 0.266 0.192 0.232 0.000 0.000 -0.000 3/30240 850.0 0.264 0.190 0.229 0.000 0.000 -0.000 3/30240 860.0 0.261 0.188 0.227 0.000 0.000 -0.000 3/30240 870.0 0.258 0.186 0.224 0.000 0.000 -0.000 3/30240 880.0 0.255 0.184 0.222 0.000 0.000 -0.000 3/30240 890.0 0.253 0.182 0.220 0.000 0.000 -0.000 3/30240 900.0 0.250 0.180 0.217 0.000 0.000 -0.000 3/30240 910.0 0.248 0.178 0.215 0.000 0.000 -0.000 3/30240 920.0 0.245 0.176 0.213 0.000 0.000 -0.000 3/30240 930.0 0.243 0.174 0.211 0.000 0.000 -0.000 3/30240 940.0 0.241 0.173 0.209 0.000 0.000 -0.000 3/30240 950.0 0.238 0.171 0.207 0.000 0.000 -0.000 3/30240 960.0 0.236 0.169 0.205 0.000 0.000 -0.000 3/30240 970.0 0.234 0.168 0.203 0.000 0.000 -0.000 3/30240 980.0 0.232 0.166 0.201 0.000 0.000 -0.000 3/30240 990.0 0.230 0.164 0.199 0.000 0.000 -0.000 3/30240 1000.0 0.227 0.163 0.197 0.000 0.000 -0.000 3/30240 Thermal conductivity related properties were written into "kappa-m745.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:59:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|