----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:34:19]------------------------- 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: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.643178085000000 3.982316335000000 6.415437020000000 b 3.643178085000000 -3.982316335000000 6.415437020000000 c 3.643178085000000 3.982316335000000 -6.415437020000000 Atomic positions (fractional): *1 Pb 0.72821870025240 0.72821870025240 0.00000000000000 207.200 2 Pb 0.27178129974760 0.27178129974760 0.00000000000000 207.200 *3 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 *4 Rb 0.50000000000000 0.76556974089528 0.26556974089528 85.468 5 Rb 0.50000000000000 0.23443025910472 0.73443025910472 85.468 *6 Li 0.15827988454370 0.50000000000000 0.65827988454370 6.941 7 Li 0.84172011545630 0.50000000000000 0.34172011545630 6.941 *8 Li 0.12306130435204 0.76871344648497 0.35434785786707 6.941 9 Li 0.87693869564796 0.23128655351503 0.64565214213293 6.941 10 Li 0.58563441138210 0.23128655351503 0.35434785786707 6.941 11 Li 0.41436558861790 0.76871344648497 0.64565214213293 6.941 *12 Li 0.02204718891182 0.13747554117300 0.42844423022800 6.941 13 Li 0.97795281108818 0.40639704131618 0.11542835226118 6.941 14 Li 0.29096868905500 0.86252445882700 0.88457164773882 6.941 15 Li 0.70903131094500 0.59360295868382 0.57155576977200 6.941 16 Li 0.97795281108818 0.86252445882700 0.57155576977200 6.941 17 Li 0.02204718891182 0.59360295868382 0.88457164773882 6.941 18 Li 0.70903131094500 0.13747554117300 0.11542835226118 6.941 19 Li 0.29096868905500 0.40639704131618 0.42844423022800 6.941 *20 O 0.74946354488949 0.45750418106201 0.70804063617252 15.999 21 O 0.25053645511051 0.95857709128303 0.70804063617252 15.999 22 O 0.25053645511051 0.54249581893799 0.29195936382748 15.999 23 O 0.74946354488949 0.04142290871697 0.29195936382748 15.999 *24 O 0.00000000000000 0.29560105712806 0.29560105712806 15.999 25 O 0.00000000000000 0.70439894287194 0.70439894287194 15.999 *26 O 0.06003490095224 0.87282586191942 0.18720903903282 15.999 27 O 0.93996509904776 0.12717413808058 0.81279096096718 15.999 28 O 0.31438317711340 0.12717413808058 0.18720903903282 15.999 29 O 0.68561682288660 0.87282586191942 0.81279096096718 15.999 *30 O 0.84735443341998 0.62883919719688 0.21851523622311 15.999 31 O 0.15264556658002 0.37116080280312 0.78148476377690 15.999 32 O 0.58967603902623 0.37116080280312 0.21851523622311 15.999 33 O 0.41032396097377 0.62883919719688 0.78148476377690 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.286356170000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.964632670000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.830874039999999 Atomic positions (fractional): *1 Pb 0.50000000000000 0.50000000000000 0.22821870025240 207.200 > 1 2 Pb 0.00000000000000 0.00000000000000 0.27178129974760 207.200 > 2 *3 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 3 4 Pb 0.00000000000000 0.00000000000000 0.72821870025240 207.200 > 1 5 Pb 0.50000000000000 0.50000000000000 0.77178129974760 207.200 > 2 6 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 > 3 *7 Rb 0.76556974089528 0.50000000000000 0.00000000000000 85.468 > 4 8 Rb 0.23443025910472 0.50000000000000 0.00000000000000 85.468 > 5 9 Rb 0.26556974089528 0.00000000000000 0.50000000000000 85.468 > 4 10 Rb 0.73443025910472 0.00000000000000 0.50000000000000 85.468 > 5 *11 Li 0.50000000000000 0.15827988454370 0.00000000000000 6.941 > 6 12 Li 0.50000000000000 0.84172011545630 0.00000000000000 6.941 > 7 *13 Li 0.50000000000000 0.85434785786707 0.26871344648497 6.941 > 8 14 Li 0.00000000000000 0.64565214213293 0.23128655351503 6.941 > 9 15 Li 0.00000000000000 0.35434785786707 0.23128655351503 6.941 > 10 16 Li 0.50000000000000 0.14565214213293 0.26871344648497 6.941 > 11 *17 Li 0.77193629124459 0.65650793898341 0.36553924992841 6.941 > 12 18 Li 0.27193629124459 0.84349206101659 0.13446075007159 6.941 > 13 19 Li 0.72806370875541 0.15650793898341 0.13446075007159 6.941 > 14 20 Li 0.22806370875541 0.34349206101659 0.36553924992841 6.941 > 15 21 Li 0.72806370875541 0.84349206101659 0.13446075007159 6.941 > 16 22 Li 0.22806370875541 0.65650793898341 0.36553924992841 6.941 > 17 23 Li 0.77193629124459 0.34349206101659 0.36553924992841 6.941 > 18 24 Li 0.27193629124459 0.15650793898341 0.13446075007159 6.941 > 19 25 Li 0.00000000000000 0.65827988454370 0.50000000000000 6.941 > 6 26 Li 0.00000000000000 0.34172011545630 0.50000000000000 6.941 > 7 27 Li 0.00000000000000 0.35434785786707 0.76871344648497 6.941 > 8 28 Li 0.50000000000000 0.14565214213293 0.73128655351503 6.941 > 9 29 Li 0.50000000000000 0.85434785786707 0.73128655351503 6.941 > 10 30 Li 0.00000000000000 0.64565214213293 0.76871344648497 6.941 > 11 31 Li 0.27193629124459 0.15650793898341 0.86553924992841 6.941 > 12 32 Li 0.77193629124459 0.34349206101659 0.63446075007159 6.941 > 13 33 Li 0.22806370875541 0.65650793898341 0.63446075007159 6.941 > 14 34 Li 0.72806370875541 0.84349206101659 0.86553924992841 6.941 > 15 35 Li 0.22806370875541 0.34349206101659 0.63446075007159 6.941 > 16 36 Li 0.72806370875541 0.15650793898341 0.86553924992841 6.941 > 17 37 Li 0.27193629124459 0.84349206101659 0.86553924992841 6.941 > 18 38 Li 0.77193629124459 0.65650793898341 0.63446075007159 6.941 > 19 *39 O 0.20804063617252 0.50000000000000 0.24946354488949 15.999 > 20 40 O 0.70804063617252 0.00000000000000 0.25053645511051 15.999 > 21 41 O 0.29195936382748 0.00000000000000 0.25053645511051 15.999 > 22 42 O 0.79195936382748 0.50000000000000 0.24946354488949 15.999 > 23 *43 O 0.29560105712806 0.00000000000000 0.00000000000000 15.999 > 24 44 O 0.70439894287194 0.00000000000000 0.00000000000000 15.999 > 25 *45 O 0.50000000000000 0.68720903903282 0.37282586191942 15.999 > 26 46 O 0.00000000000000 0.81279096096718 0.12717413808058 15.999 > 27 47 O 0.00000000000000 0.18720903903282 0.12717413808058 15.999 > 28 48 O 0.50000000000000 0.31279096096718 0.37282586191942 15.999 > 29 *49 O 0.50000000000000 0.71851523622310 0.12883919719688 15.999 > 30 50 O 0.00000000000000 0.78148476377690 0.37116080280312 15.999 > 31 51 O 0.00000000000000 0.21851523622311 0.37116080280312 15.999 > 32 52 O 0.50000000000000 0.28148476377690 0.12883919719688 15.999 > 33 53 O 0.70804063617252 0.00000000000000 0.74946354488949 15.999 > 20 54 O 0.20804063617252 0.50000000000000 0.75053645511051 15.999 > 21 55 O 0.79195936382748 0.50000000000000 0.75053645511051 15.999 > 22 56 O 0.29195936382748 0.00000000000000 0.74946354488949 15.999 > 23 57 O 0.79560105712806 0.50000000000000 0.50000000000000 15.999 > 24 58 O 0.20439894287194 0.50000000000000 0.50000000000000 15.999 > 25 59 O 0.00000000000000 0.18720903903282 0.87282586191942 15.999 > 26 60 O 0.50000000000000 0.31279096096718 0.62717413808058 15.999 > 27 61 O 0.50000000000000 0.68720903903282 0.62717413808058 15.999 > 28 62 O 0.00000000000000 0.81279096096718 0.87282586191942 15.999 > 29 63 O 0.00000000000000 0.21851523622311 0.62883919719688 15.999 > 30 64 O 0.50000000000000 0.28148476377690 0.87116080280312 15.999 > 31 65 O 0.50000000000000 0.71851523622310 0.87116080280312 15.999 > 32 66 O 0.00000000000000 0.78148476377690 0.62883919719688 15.999 > 33 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.572712340000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.964632670000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.830874039999999 Atomic positions (fractional): *1 Pb 0.25000000000000 0.50000000000000 0.22821870025240 207.200 > 1 2 Pb 0.75000000000000 0.50000000000000 0.22821870025240 207.200 > 1 3 Pb 0.00000000000000 0.00000000000000 0.27178129974760 207.200 > 2 4 Pb 0.50000000000000 0.00000000000000 0.27178129974760 207.200 > 2 *5 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 3 6 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 3 7 Pb 0.00000000000000 0.00000000000000 0.72821870025240 207.200 > 1 8 Pb 0.50000000000000 0.00000000000000 0.72821870025240 207.200 > 1 9 Pb 0.25000000000000 0.50000000000000 0.77178129974760 207.200 > 2 10 Pb 0.75000000000000 0.50000000000000 0.77178129974760 207.200 > 2 11 Pb 0.25000000000000 0.50000000000000 0.50000000000000 207.200 > 3 12 Pb 0.75000000000000 0.50000000000000 0.50000000000000 207.200 > 3 *13 Rb 0.38278487044764 0.50000000000000 0.00000000000000 85.468 > 4 14 Rb 0.88278487044764 0.50000000000000 0.00000000000000 85.468 > 4 15 Rb 0.11721512955236 0.50000000000000 0.00000000000000 85.468 > 5 16 Rb 0.61721512955236 0.50000000000000 0.00000000000000 85.468 > 5 17 Rb 0.13278487044764 0.00000000000000 0.50000000000000 85.468 > 4 18 Rb 0.63278487044764 0.00000000000000 0.50000000000000 85.468 > 4 19 Rb 0.36721512955236 0.00000000000000 0.50000000000000 85.468 > 5 20 Rb 0.86721512955236 0.00000000000000 0.50000000000000 85.468 > 5 *21 Li 0.25000000000000 0.15827988454370 0.00000000000000 6.941 > 6 22 Li 0.75000000000000 0.15827988454370 0.00000000000000 6.941 > 6 23 Li 0.25000000000000 0.84172011545630 0.00000000000000 6.941 > 7 24 Li 0.75000000000000 0.84172011545630 0.00000000000000 6.941 > 7 *25 Li 0.25000000000000 0.85434785786707 0.26871344648497 6.941 > 8 26 Li 0.75000000000000 0.85434785786707 0.26871344648497 6.941 > 8 27 Li 0.00000000000000 0.64565214213293 0.23128655351503 6.941 > 9 28 Li 0.50000000000000 0.64565214213293 0.23128655351503 6.941 > 9 29 Li 0.00000000000000 0.35434785786707 0.23128655351503 6.941 > 10 30 Li 0.50000000000000 0.35434785786707 0.23128655351503 6.941 > 10 31 Li 0.25000000000000 0.14565214213293 0.26871344648497 6.941 > 11 32 Li 0.75000000000000 0.14565214213293 0.26871344648497 6.941 > 11 *33 Li 0.38596814562229 0.65650793898341 0.36553924992841 6.941 > 12 34 Li 0.88596814562229 0.65650793898341 0.36553924992841 6.941 > 12 35 Li 0.13596814562230 0.84349206101659 0.13446075007159 6.941 > 13 36 Li 0.63596814562229 0.84349206101659 0.13446075007159 6.941 > 13 37 Li 0.36403185437771 0.15650793898341 0.13446075007159 6.941 > 14 38 Li 0.86403185437771 0.15650793898341 0.13446075007159 6.941 > 14 39 Li 0.11403185437770 0.34349206101659 0.36553924992841 6.941 > 15 40 Li 0.61403185437771 0.34349206101659 0.36553924992841 6.941 > 15 41 Li 0.36403185437771 0.84349206101659 0.13446075007159 6.941 > 16 42 Li 0.86403185437771 0.84349206101659 0.13446075007159 6.941 > 16 43 Li 0.11403185437770 0.65650793898341 0.36553924992841 6.941 > 17 44 Li 0.61403185437771 0.65650793898341 0.36553924992841 6.941 > 17 45 Li 0.38596814562229 0.34349206101659 0.36553924992841 6.941 > 18 46 Li 0.88596814562229 0.34349206101659 0.36553924992841 6.941 > 18 47 Li 0.13596814562230 0.15650793898341 0.13446075007159 6.941 > 19 48 Li 0.63596814562229 0.15650793898341 0.13446075007159 6.941 > 19 49 Li 0.00000000000000 0.65827988454370 0.50000000000000 6.941 > 6 50 Li 0.50000000000000 0.65827988454370 0.50000000000000 6.941 > 6 51 Li 0.00000000000000 0.34172011545630 0.50000000000000 6.941 > 7 52 Li 0.50000000000000 0.34172011545630 0.50000000000000 6.941 > 7 53 Li 0.00000000000000 0.35434785786707 0.76871344648497 6.941 > 8 54 Li 0.50000000000000 0.35434785786707 0.76871344648497 6.941 > 8 55 Li 0.25000000000000 0.14565214213293 0.73128655351503 6.941 > 9 56 Li 0.75000000000000 0.14565214213293 0.73128655351503 6.941 > 9 57 Li 0.25000000000000 0.85434785786707 0.73128655351503 6.941 > 10 58 Li 0.75000000000000 0.85434785786707 0.73128655351503 6.941 > 10 59 Li 0.00000000000000 0.64565214213293 0.76871344648497 6.941 > 11 60 Li 0.50000000000000 0.64565214213293 0.76871344648497 6.941 > 11 61 Li 0.13596814562230 0.15650793898341 0.86553924992841 6.941 > 12 62 Li 0.63596814562229 0.15650793898341 0.86553924992841 6.941 > 12 63 Li 0.38596814562229 0.34349206101659 0.63446075007159 6.941 > 13 64 Li 0.88596814562229 0.34349206101659 0.63446075007159 6.941 > 13 65 Li 0.11403185437770 0.65650793898341 0.63446075007159 6.941 > 14 66 Li 0.61403185437771 0.65650793898341 0.63446075007159 6.941 > 14 67 Li 0.36403185437771 0.84349206101659 0.86553924992841 6.941 > 15 68 Li 0.86403185437771 0.84349206101659 0.86553924992841 6.941 > 15 69 Li 0.11403185437770 0.34349206101659 0.63446075007159 6.941 > 16 70 Li 0.61403185437771 0.34349206101659 0.63446075007159 6.941 > 16 71 Li 0.36403185437771 0.15650793898341 0.86553924992841 6.941 > 17 72 Li 0.86403185437771 0.15650793898341 0.86553924992841 6.941 > 17 73 Li 0.13596814562230 0.84349206101659 0.86553924992841 6.941 > 18 74 Li 0.63596814562229 0.84349206101659 0.86553924992841 6.941 > 18 75 Li 0.38596814562229 0.65650793898341 0.63446075007159 6.941 > 19 76 Li 0.88596814562229 0.65650793898341 0.63446075007159 6.941 > 19 *77 O 0.10402031808626 0.50000000000000 0.24946354488949 15.999 > 20 78 O 0.60402031808626 0.50000000000000 0.24946354488949 15.999 > 20 79 O 0.35402031808626 0.00000000000000 0.25053645511051 15.999 > 21 80 O 0.85402031808626 0.00000000000000 0.25053645511051 15.999 > 21 81 O 0.14597968191374 0.00000000000000 0.25053645511051 15.999 > 22 82 O 0.64597968191374 0.00000000000000 0.25053645511051 15.999 > 22 83 O 0.39597968191374 0.50000000000000 0.24946354488949 15.999 > 23 84 O 0.89597968191374 0.50000000000000 0.24946354488949 15.999 > 23 *85 O 0.14780052856403 0.00000000000000 0.00000000000000 15.999 > 24 86 O 0.64780052856403 0.00000000000000 0.00000000000000 15.999 > 24 87 O 0.35219947143597 0.00000000000000 0.00000000000000 15.999 > 25 88 O 0.85219947143597 0.00000000000000 0.00000000000000 15.999 > 25 *89 O 0.25000000000000 0.68720903903282 0.37282586191942 15.999 > 26 90 O 0.75000000000000 0.68720903903282 0.37282586191942 15.999 > 26 91 O 0.00000000000000 0.81279096096718 0.12717413808058 15.999 > 27 92 O 0.50000000000000 0.81279096096718 0.12717413808058 15.999 > 27 93 O 0.00000000000000 0.18720903903282 0.12717413808058 15.999 > 28 94 O 0.50000000000000 0.18720903903282 0.12717413808058 15.999 > 28 95 O 0.25000000000000 0.31279096096718 0.37282586191942 15.999 > 29 96 O 0.75000000000000 0.31279096096718 0.37282586191942 15.999 > 29 *97 O 0.25000000000000 0.71851523622310 0.12883919719688 15.999 > 30 98 O 0.75000000000000 0.71851523622310 0.12883919719688 15.999 > 30 99 O 0.00000000000000 0.78148476377690 0.37116080280312 15.999 > 31 100 O 0.50000000000000 0.78148476377690 0.37116080280312 15.999 > 31 101 O 0.00000000000000 0.21851523622311 0.37116080280312 15.999 > 32 102 O 0.50000000000000 0.21851523622311 0.37116080280312 15.999 > 32 103 O 0.25000000000000 0.28148476377690 0.12883919719688 15.999 > 33 104 O 0.75000000000000 0.28148476377690 0.12883919719688 15.999 > 33 105 O 0.35402031808626 0.00000000000000 0.74946354488949 15.999 > 20 106 O 0.85402031808626 0.00000000000000 0.74946354488949 15.999 > 20 107 O 0.10402031808626 0.50000000000000 0.75053645511051 15.999 > 21 108 O 0.60402031808626 0.50000000000000 0.75053645511051 15.999 > 21 109 O 0.39597968191374 0.50000000000000 0.75053645511051 15.999 > 22 110 O 0.89597968191374 0.50000000000000 0.75053645511051 15.999 > 22 111 O 0.14597968191374 0.00000000000000 0.74946354488949 15.999 > 23 112 O 0.64597968191374 0.00000000000000 0.74946354488949 15.999 > 23 113 O 0.39780052856403 0.50000000000000 0.50000000000000 15.999 > 24 114 O 0.89780052856403 0.50000000000000 0.50000000000000 15.999 > 24 115 O 0.10219947143597 0.50000000000000 0.50000000000000 15.999 > 25 116 O 0.60219947143597 0.50000000000000 0.50000000000000 15.999 > 25 117 O 0.00000000000000 0.18720903903282 0.87282586191942 15.999 > 26 118 O 0.50000000000000 0.18720903903282 0.87282586191942 15.999 > 26 119 O 0.25000000000000 0.31279096096718 0.62717413808058 15.999 > 27 120 O 0.75000000000000 0.31279096096718 0.62717413808058 15.999 > 27 121 O 0.25000000000000 0.68720903903282 0.62717413808058 15.999 > 28 122 O 0.75000000000000 0.68720903903282 0.62717413808058 15.999 > 28 123 O 0.00000000000000 0.81279096096718 0.87282586191942 15.999 > 29 124 O 0.50000000000000 0.81279096096718 0.87282586191942 15.999 > 29 125 O 0.00000000000000 0.21851523622311 0.62883919719688 15.999 > 30 126 O 0.50000000000000 0.21851523622311 0.62883919719688 15.999 > 30 127 O 0.25000000000000 0.28148476377690 0.87116080280312 15.999 > 31 128 O 0.75000000000000 0.28148476377690 0.87116080280312 15.999 > 31 129 O 0.25000000000000 0.71851523622310 0.87116080280312 15.999 > 32 130 O 0.75000000000000 0.71851523622310 0.87116080280312 15.999 > 32 131 O 0.00000000000000 0.78148476377690 0.62883919719688 15.999 > 33 132 O 0.50000000000000 0.78148476377690 0.62883919719688 15.999 > 33 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8263065 0.0000000 0.0000000 0.0000000 3.6182015 0.0000000 0.0000000 0.0000000 3.8842515 -------------------------- Born effective charges -------------------------- 1 Pb 3.2703795 0.0000000 0.0000000 0.0000000 3.0971840 0.0000000 0.0000000 0.0000000 3.9358065 2 Pb 3.2703795 0.0000000 0.0000000 0.0000000 3.0971840 0.0000000 0.0000000 0.0000000 3.9358065 3 Pb 3.4087791 0.0000000 0.0000000 0.0000000 2.4711894 0.0000000 0.0000000 0.0000000 4.5734230 4 Rb 1.1342864 0.0000000 0.0000000 0.0000000 1.2367488 0.0000000 0.0000000 0.0000000 1.4447323 5 Rb 1.1342864 0.0000000 0.0000000 0.0000000 1.2367488 0.0000000 0.0000000 0.0000000 1.4447323 6 Li 1.1036401 0.0000000 0.0000000 0.0000000 1.0867331 0.0000000 0.0000000 0.0000000 1.2292786 7 Li 1.1036401 0.0000000 0.0000000 0.0000000 1.0867331 0.0000000 0.0000000 0.0000000 1.2292786 8 Li 1.1679345 0.0000000 0.0000000 0.0000000 1.1842021 -0.0888033 0.0000000 -0.1542410 0.7870391 9 Li 1.1679345 0.0000000 0.0000000 0.0000000 1.1842021 -0.0888033 0.0000000 -0.1542410 0.7870391 10 Li 1.1679345 0.0000000 0.0000000 0.0000000 1.1842021 0.0888033 0.0000000 0.1542410 0.7870391 11 Li 1.1679345 0.0000000 0.0000000 0.0000000 1.1842021 0.0888033 0.0000000 0.1542410 0.7870391 12 Li 0.9614117 0.2611760 0.0185187 0.3396487 0.9548546 -0.0457035 -0.1234637 -0.0879923 0.9178291 13 Li 0.9614117 -0.2611760 -0.0185187 -0.3396487 0.9548546 -0.0457035 0.1234637 -0.0879923 0.9178291 14 Li 0.9614117 -0.2611760 0.0185187 -0.3396487 0.9548546 0.0457035 -0.1234637 0.0879923 0.9178291 15 Li 0.9614117 0.2611760 -0.0185187 0.3396487 0.9548546 0.0457035 0.1234637 0.0879923 0.9178291 16 Li 0.9614117 0.2611760 0.0185187 0.3396487 0.9548546 -0.0457035 -0.1234637 -0.0879923 0.9178291 17 Li 0.9614117 -0.2611760 -0.0185187 -0.3396487 0.9548546 -0.0457035 0.1234637 -0.0879923 0.9178291 18 Li 0.9614117 -0.2611760 0.0185187 -0.3396487 0.9548546 0.0457035 -0.1234637 0.0879923 0.9178291 19 Li 0.9614117 0.2611760 -0.0185187 0.3396487 0.9548546 0.0457035 0.1234637 0.0879923 0.9178291 20 O -2.3990333 0.0000000 -0.0052903 0.0000000 -1.6645619 0.0000000 -0.1888112 0.0000000 -1.5571643 21 O -2.3990333 0.0000000 0.0052903 0.0000000 -1.6645619 0.0000000 0.1888112 0.0000000 -1.5571643 22 O -2.3990333 0.0000000 -0.0052903 0.0000000 -1.6645619 0.0000000 -0.1888112 0.0000000 -1.5571643 23 O -2.3990333 0.0000000 0.0052903 0.0000000 -1.6645619 0.0000000 0.1888112 0.0000000 -1.5571643 24 O -2.3725094 0.0000000 0.0000000 0.0000000 -1.6277395 0.0000000 0.0000000 0.0000000 -1.8855970 25 O -2.3725094 0.0000000 0.0000000 0.0000000 -1.6277395 0.0000000 0.0000000 0.0000000 -1.8855970 26 O -1.4835169 0.0000000 0.0000000 0.0000000 -1.8472530 0.1517505 0.0000000 0.1464555 -2.4726232 27 O -1.4835169 0.0000000 0.0000000 0.0000000 -1.8472530 0.1517505 0.0000000 0.1464555 -2.4726232 28 O -1.4835169 0.0000000 0.0000000 0.0000000 -1.8472530 -0.1517505 0.0000000 -0.1464555 -2.4726232 29 O -1.4835169 0.0000000 0.0000000 0.0000000 -1.8472530 -0.1517505 0.0000000 -0.1464555 -2.4726232 30 O -1.6283008 0.0000000 0.0000000 0.0000000 -2.0963569 0.3907744 0.0000000 0.4688186 -2.0983758 31 O -1.6283008 0.0000000 0.0000000 0.0000000 -2.0963569 0.3907744 0.0000000 0.4688186 -2.0983758 32 O -1.6283008 0.0000000 0.0000000 0.0000000 -2.0963569 -0.3907744 0.0000000 -0.4688186 -2.0983758 33 O -1.6283008 0.0000000 0.0000000 0.0000000 -2.0963569 -0.3907744 0.0000000 -0.4688186 -2.0983758 ---------------------------------------------------------------------------- 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: 396/396 Permutation basis: 23346/23346 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2687 Number of blocks in projector: 2689 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: 540 Use submatrix version of eigh solver. (1) Block: 540 / 540 (2) Block: 250 / 540 (2) 242 eigenvectors found. (2) Block: 540 / 540 (2) 282 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 532 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 409 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 409 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 409 Use standard eigh solver. Tree of FC basis block matrices: - (2687, 2643), data: False |-- (409, 399), data: True |-- (409, 399), data: True |-- (409, 399), data: True |-- (424, 422), data: True |-- (496, 492), data: True |-- (540, 532), data: False |-- (540, 532), data: False |-- (540, 8), data: (540, 16) @ (16, 8) |-- (290, 282), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 132 / 132 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 560 - Time: 0.768 Solver_block: 200 / 560 - Time: 0.716 Solver_block: 300 / 560 - Time: 0.716 Solver_block: 400 / 560 - Time: 0.720 Solver_block: 500 / 560 - Time: 0.718 Solver_block: 560 / 560 - Time: 0.493 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.225 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 396/396 Permutation basis: 23346/23346 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2687 Number of blocks in projector: 2689 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: 540 Use submatrix version of eigh solver. (1) Block: 540 / 540 (2) Block: 250 / 540 (2) 242 eigenvectors found. (2) Block: 540 / 540 (2) 282 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 532 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 409 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 409 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 409 Use standard eigh solver. Tree of FC basis block matrices: - (2687, 2643), data: False |-- (409, 399), data: True |-- (409, 399), data: True |-- (409, 399), data: True |-- (424, 422), data: True |-- (496, 492), data: True |-- (540, 532), data: False |-- (540, 532), data: False |-- (540, 8), data: (540, 16) @ (16, 8) |-- (290, 282), data: True |-- (250, 242), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:34:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:34:55]------------------------- 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: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.643178085000000 3.982316335000000 6.415437020000000 b 3.643178085000000 -3.982316335000000 6.415437020000000 c 3.643178085000000 3.982316335000000 -6.415437020000000 Atomic positions (fractional): 1 Pb 0.72821870025240 0.72821870025240 0.00000000000000 207.200 2 Pb 0.27178129974760 0.27178129974760 0.00000000000000 207.200 3 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 4 Rb 0.50000000000000 0.76556974089528 0.26556974089528 85.468 5 Rb 0.50000000000000 0.23443025910472 0.73443025910472 85.468 6 Li 0.15827988454370 0.50000000000000 0.65827988454370 6.941 7 Li 0.84172011545630 0.50000000000000 0.34172011545630 6.941 8 Li 0.12306130435204 0.76871344648497 0.35434785786707 6.941 9 Li 0.87693869564796 0.23128655351503 0.64565214213293 6.941 10 Li 0.58563441138210 0.23128655351503 0.35434785786707 6.941 11 Li 0.41436558861790 0.76871344648497 0.64565214213293 6.941 12 Li 0.02204718891182 0.13747554117300 0.42844423022800 6.941 13 Li 0.97795281108818 0.40639704131618 0.11542835226118 6.941 14 Li 0.29096868905500 0.86252445882700 0.88457164773882 6.941 15 Li 0.70903131094500 0.59360295868382 0.57155576977200 6.941 16 Li 0.97795281108818 0.86252445882700 0.57155576977200 6.941 17 Li 0.02204718891182 0.59360295868382 0.88457164773882 6.941 18 Li 0.70903131094500 0.13747554117300 0.11542835226118 6.941 19 Li 0.29096868905500 0.40639704131618 0.42844423022800 6.941 20 O 0.74946354488949 0.45750418106201 0.70804063617252 15.999 21 O 0.25053645511051 0.95857709128303 0.70804063617252 15.999 22 O 0.25053645511051 0.54249581893799 0.29195936382748 15.999 23 O 0.74946354488949 0.04142290871697 0.29195936382748 15.999 24 O 0.00000000000000 0.29560105712806 0.29560105712806 15.999 25 O 0.00000000000000 0.70439894287194 0.70439894287194 15.999 26 O 0.06003490095224 0.87282586191942 0.18720903903282 15.999 27 O 0.93996509904776 0.12717413808058 0.81279096096718 15.999 28 O 0.31438317711340 0.12717413808058 0.18720903903282 15.999 29 O 0.68561682288660 0.87282586191942 0.81279096096718 15.999 30 O 0.84735443341998 0.62883919719688 0.21851523622311 15.999 31 O 0.15264556658002 0.37116080280312 0.78148476377690 15.999 32 O 0.58967603902623 0.37116080280312 0.21851523622311 15.999 33 O 0.41032396097377 0.62883919719688 0.78148476377690 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.572712340000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.964632670000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.830874039999999 Atomic positions (fractional): 1 Pb 0.25000000000000 0.50000000000000 0.22821870025240 207.200 > 1 2 Pb 0.75000000000000 0.50000000000000 0.22821870025240 207.200 > 1 3 Pb 0.00000000000000 0.00000000000000 0.27178129974760 207.200 > 3 4 Pb 0.50000000000000 0.00000000000000 0.27178129974760 207.200 > 3 5 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 5 6 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 5 7 Pb 0.00000000000000 0.00000000000000 0.72821870025240 207.200 > 1 8 Pb 0.50000000000000 0.00000000000000 0.72821870025240 207.200 > 1 9 Pb 0.25000000000000 0.50000000000000 0.77178129974760 207.200 > 3 10 Pb 0.75000000000000 0.50000000000000 0.77178129974760 207.200 > 3 11 Pb 0.25000000000000 0.50000000000000 0.50000000000000 207.200 > 5 12 Pb 0.75000000000000 0.50000000000000 0.50000000000000 207.200 > 5 13 Rb 0.38278487044764 0.50000000000000 0.00000000000000 85.468 > 13 14 Rb 0.88278487044764 0.50000000000000 0.00000000000000 85.468 > 13 15 Rb 0.11721512955236 0.50000000000000 0.00000000000000 85.468 > 15 16 Rb 0.61721512955236 0.50000000000000 0.00000000000000 85.468 > 15 17 Rb 0.13278487044764 0.00000000000000 0.50000000000000 85.468 > 13 18 Rb 0.63278487044764 0.00000000000000 0.50000000000000 85.468 > 13 19 Rb 0.36721512955236 0.00000000000000 0.50000000000000 85.468 > 15 20 Rb 0.86721512955236 0.00000000000000 0.50000000000000 85.468 > 15 21 Li 0.25000000000000 0.15827988454370 0.00000000000000 6.941 > 21 22 Li 0.75000000000000 0.15827988454370 0.00000000000000 6.941 > 21 23 Li 0.25000000000000 0.84172011545630 0.00000000000000 6.941 > 23 24 Li 0.75000000000000 0.84172011545630 0.00000000000000 6.941 > 23 25 Li 0.25000000000000 0.85434785786707 0.26871344648497 6.941 > 25 26 Li 0.75000000000000 0.85434785786707 0.26871344648497 6.941 > 25 27 Li 0.00000000000000 0.64565214213293 0.23128655351503 6.941 > 27 28 Li 0.50000000000000 0.64565214213293 0.23128655351503 6.941 > 27 29 Li 0.00000000000000 0.35434785786707 0.23128655351503 6.941 > 29 30 Li 0.50000000000000 0.35434785786707 0.23128655351503 6.941 > 29 31 Li 0.25000000000000 0.14565214213293 0.26871344648497 6.941 > 31 32 Li 0.75000000000000 0.14565214213293 0.26871344648497 6.941 > 31 33 Li 0.38596814562229 0.65650793898341 0.36553924992841 6.941 > 33 34 Li 0.88596814562229 0.65650793898341 0.36553924992841 6.941 > 33 35 Li 0.13596814562230 0.84349206101659 0.13446075007159 6.941 > 35 36 Li 0.63596814562229 0.84349206101659 0.13446075007159 6.941 > 35 37 Li 0.36403185437771 0.15650793898341 0.13446075007159 6.941 > 37 38 Li 0.86403185437771 0.15650793898341 0.13446075007159 6.941 > 37 39 Li 0.11403185437770 0.34349206101659 0.36553924992841 6.941 > 39 40 Li 0.61403185437771 0.34349206101659 0.36553924992841 6.941 > 39 41 Li 0.36403185437771 0.84349206101659 0.13446075007159 6.941 > 41 42 Li 0.86403185437771 0.84349206101659 0.13446075007159 6.941 > 41 43 Li 0.11403185437770 0.65650793898341 0.36553924992841 6.941 > 43 44 Li 0.61403185437771 0.65650793898341 0.36553924992841 6.941 > 43 45 Li 0.38596814562229 0.34349206101659 0.36553924992841 6.941 > 45 46 Li 0.88596814562229 0.34349206101659 0.36553924992841 6.941 > 45 47 Li 0.13596814562230 0.15650793898341 0.13446075007159 6.941 > 47 48 Li 0.63596814562229 0.15650793898341 0.13446075007159 6.941 > 47 49 Li 0.00000000000000 0.65827988454370 0.50000000000000 6.941 > 21 50 Li 0.50000000000000 0.65827988454370 0.50000000000000 6.941 > 21 51 Li 0.00000000000000 0.34172011545630 0.50000000000000 6.941 > 23 52 Li 0.50000000000000 0.34172011545630 0.50000000000000 6.941 > 23 53 Li 0.00000000000000 0.35434785786707 0.76871344648497 6.941 > 25 54 Li 0.50000000000000 0.35434785786707 0.76871344648497 6.941 > 25 55 Li 0.25000000000000 0.14565214213293 0.73128655351503 6.941 > 27 56 Li 0.75000000000000 0.14565214213293 0.73128655351503 6.941 > 27 57 Li 0.25000000000000 0.85434785786707 0.73128655351503 6.941 > 29 58 Li 0.75000000000000 0.85434785786707 0.73128655351503 6.941 > 29 59 Li 0.00000000000000 0.64565214213293 0.76871344648497 6.941 > 31 60 Li 0.50000000000000 0.64565214213293 0.76871344648497 6.941 > 31 61 Li 0.13596814562230 0.15650793898341 0.86553924992841 6.941 > 33 62 Li 0.63596814562229 0.15650793898341 0.86553924992841 6.941 > 33 63 Li 0.38596814562229 0.34349206101659 0.63446075007159 6.941 > 35 64 Li 0.88596814562229 0.34349206101659 0.63446075007159 6.941 > 35 65 Li 0.11403185437770 0.65650793898341 0.63446075007159 6.941 > 37 66 Li 0.61403185437771 0.65650793898341 0.63446075007159 6.941 > 37 67 Li 0.36403185437771 0.84349206101659 0.86553924992841 6.941 > 39 68 Li 0.86403185437771 0.84349206101659 0.86553924992841 6.941 > 39 69 Li 0.11403185437770 0.34349206101659 0.63446075007159 6.941 > 41 70 Li 0.61403185437771 0.34349206101659 0.63446075007159 6.941 > 41 71 Li 0.36403185437771 0.15650793898341 0.86553924992841 6.941 > 43 72 Li 0.86403185437771 0.15650793898341 0.86553924992841 6.941 > 43 73 Li 0.13596814562230 0.84349206101659 0.86553924992841 6.941 > 45 74 Li 0.63596814562229 0.84349206101659 0.86553924992841 6.941 > 45 75 Li 0.38596814562229 0.65650793898341 0.63446075007159 6.941 > 47 76 Li 0.88596814562229 0.65650793898341 0.63446075007159 6.941 > 47 77 O 0.10402031808626 0.50000000000000 0.24946354488949 15.999 > 77 78 O 0.60402031808626 0.50000000000000 0.24946354488949 15.999 > 77 79 O 0.35402031808626 0.00000000000000 0.25053645511051 15.999 > 79 80 O 0.85402031808626 0.00000000000000 0.25053645511051 15.999 > 79 81 O 0.14597968191374 0.00000000000000 0.25053645511051 15.999 > 81 82 O 0.64597968191374 0.00000000000000 0.25053645511051 15.999 > 81 83 O 0.39597968191374 0.50000000000000 0.24946354488949 15.999 > 83 84 O 0.89597968191374 0.50000000000000 0.24946354488949 15.999 > 83 85 O 0.14780052856403 0.00000000000000 0.00000000000000 15.999 > 85 86 O 0.64780052856403 0.00000000000000 0.00000000000000 15.999 > 85 87 O 0.35219947143597 0.00000000000000 0.00000000000000 15.999 > 87 88 O 0.85219947143597 0.00000000000000 0.00000000000000 15.999 > 87 89 O 0.25000000000000 0.68720903903282 0.37282586191942 15.999 > 89 90 O 0.75000000000000 0.68720903903282 0.37282586191942 15.999 > 89 91 O 0.00000000000000 0.81279096096718 0.12717413808058 15.999 > 91 92 O 0.50000000000000 0.81279096096718 0.12717413808058 15.999 > 91 93 O 0.00000000000000 0.18720903903282 0.12717413808058 15.999 > 93 94 O 0.50000000000000 0.18720903903282 0.12717413808058 15.999 > 93 95 O 0.25000000000000 0.31279096096718 0.37282586191942 15.999 > 95 96 O 0.75000000000000 0.31279096096718 0.37282586191942 15.999 > 95 97 O 0.25000000000000 0.71851523622310 0.12883919719688 15.999 > 97 98 O 0.75000000000000 0.71851523622310 0.12883919719688 15.999 > 97 99 O 0.00000000000000 0.78148476377690 0.37116080280312 15.999 > 99 100 O 0.50000000000000 0.78148476377690 0.37116080280312 15.999 > 99 101 O 0.00000000000000 0.21851523622311 0.37116080280312 15.999 > 101 102 O 0.50000000000000 0.21851523622311 0.37116080280312 15.999 > 101 103 O 0.25000000000000 0.28148476377690 0.12883919719688 15.999 > 103 104 O 0.75000000000000 0.28148476377690 0.12883919719688 15.999 > 103 105 O 0.35402031808626 0.00000000000000 0.74946354488949 15.999 > 77 106 O 0.85402031808626 0.00000000000000 0.74946354488949 15.999 > 77 107 O 0.10402031808626 0.50000000000000 0.75053645511051 15.999 > 79 108 O 0.60402031808626 0.50000000000000 0.75053645511051 15.999 > 79 109 O 0.39597968191374 0.50000000000000 0.75053645511051 15.999 > 81 110 O 0.89597968191374 0.50000000000000 0.75053645511051 15.999 > 81 111 O 0.14597968191374 0.00000000000000 0.74946354488949 15.999 > 83 112 O 0.64597968191374 0.00000000000000 0.74946354488949 15.999 > 83 113 O 0.39780052856403 0.50000000000000 0.50000000000000 15.999 > 85 114 O 0.89780052856403 0.50000000000000 0.50000000000000 15.999 > 85 115 O 0.10219947143597 0.50000000000000 0.50000000000000 15.999 > 87 116 O 0.60219947143597 0.50000000000000 0.50000000000000 15.999 > 87 117 O 0.00000000000000 0.18720903903282 0.87282586191942 15.999 > 89 118 O 0.50000000000000 0.18720903903282 0.87282586191942 15.999 > 89 119 O 0.25000000000000 0.31279096096718 0.62717413808058 15.999 > 91 120 O 0.75000000000000 0.31279096096718 0.62717413808058 15.999 > 91 121 O 0.25000000000000 0.68720903903282 0.62717413808058 15.999 > 93 122 O 0.75000000000000 0.68720903903282 0.62717413808058 15.999 > 93 123 O 0.00000000000000 0.81279096096718 0.87282586191942 15.999 > 95 124 O 0.50000000000000 0.81279096096718 0.87282586191942 15.999 > 95 125 O 0.00000000000000 0.21851523622311 0.62883919719688 15.999 > 97 126 O 0.50000000000000 0.21851523622311 0.62883919719688 15.999 > 97 127 O 0.25000000000000 0.28148476377690 0.87116080280312 15.999 > 99 128 O 0.75000000000000 0.28148476377690 0.87116080280312 15.999 > 99 129 O 0.25000000000000 0.71851523622310 0.87116080280312 15.999 > 101 130 O 0.75000000000000 0.71851523622310 0.87116080280312 15.999 > 101 131 O 0.00000000000000 0.78148476377690 0.62883919719688 15.999 > 103 132 O 0.50000000000000 0.78148476377690 0.62883919719688 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8263065 0.0000000 0.0000000 0.0000000 3.6182015 0.0000000 0.0000000 0.0000000 3.8842515 -------------------------- Born effective charges -------------------------- 1 Pb 3.2703795 0.0000000 0.0000000 0.0000000 3.0971840 0.0000000 0.0000000 0.0000000 3.9358065 2 Pb 3.2703795 0.0000000 0.0000000 0.0000000 3.0971840 0.0000000 0.0000000 0.0000000 3.9358065 3 Pb 3.4087791 0.0000000 0.0000000 0.0000000 2.4711894 0.0000000 0.0000000 0.0000000 4.5734230 4 Rb 1.1342864 0.0000000 0.0000000 0.0000000 1.2367488 0.0000000 0.0000000 0.0000000 1.4447323 5 Rb 1.1342864 0.0000000 0.0000000 0.0000000 1.2367488 0.0000000 0.0000000 0.0000000 1.4447323 6 Li 1.1036401 0.0000000 0.0000000 0.0000000 1.0867331 0.0000000 0.0000000 0.0000000 1.2292786 7 Li 1.1036401 0.0000000 0.0000000 0.0000000 1.0867331 0.0000000 0.0000000 0.0000000 1.2292786 8 Li 1.1679345 0.0000000 0.0000000 0.0000000 1.1842021 -0.0888033 0.0000000 -0.1542410 0.7870391 9 Li 1.1679345 0.0000000 0.0000000 0.0000000 1.1842021 -0.0888033 0.0000000 -0.1542410 0.7870391 10 Li 1.1679345 0.0000000 0.0000000 0.0000000 1.1842021 0.0888033 0.0000000 0.1542410 0.7870391 11 Li 1.1679345 0.0000000 0.0000000 0.0000000 1.1842021 0.0888033 0.0000000 0.1542410 0.7870391 12 Li 0.9614117 0.2611760 0.0185187 0.3396487 0.9548546 -0.0457035 -0.1234637 -0.0879923 0.9178291 13 Li 0.9614117 -0.2611760 -0.0185187 -0.3396487 0.9548546 -0.0457035 0.1234637 -0.0879923 0.9178291 14 Li 0.9614117 -0.2611760 0.0185187 -0.3396487 0.9548546 0.0457035 -0.1234637 0.0879923 0.9178291 15 Li 0.9614117 0.2611760 -0.0185187 0.3396487 0.9548546 0.0457035 0.1234637 0.0879923 0.9178291 16 Li 0.9614117 0.2611760 0.0185187 0.3396487 0.9548546 -0.0457035 -0.1234637 -0.0879923 0.9178291 17 Li 0.9614117 -0.2611760 -0.0185187 -0.3396487 0.9548546 -0.0457035 0.1234637 -0.0879923 0.9178291 18 Li 0.9614117 -0.2611760 0.0185187 -0.3396487 0.9548546 0.0457035 -0.1234637 0.0879923 0.9178291 19 Li 0.9614117 0.2611760 -0.0185187 0.3396487 0.9548546 0.0457035 0.1234637 0.0879923 0.9178291 20 O -2.3990333 0.0000000 -0.0052903 0.0000000 -1.6645619 0.0000000 -0.1888112 0.0000000 -1.5571643 21 O -2.3990333 0.0000000 0.0052903 0.0000000 -1.6645619 0.0000000 0.1888112 0.0000000 -1.5571643 22 O -2.3990333 0.0000000 -0.0052903 0.0000000 -1.6645619 0.0000000 -0.1888112 0.0000000 -1.5571643 23 O -2.3990333 0.0000000 0.0052903 0.0000000 -1.6645619 0.0000000 0.1888112 0.0000000 -1.5571643 24 O -2.3725094 0.0000000 0.0000000 0.0000000 -1.6277395 0.0000000 0.0000000 0.0000000 -1.8855970 25 O -2.3725094 0.0000000 0.0000000 0.0000000 -1.6277395 0.0000000 0.0000000 0.0000000 -1.8855970 26 O -1.4835169 0.0000000 0.0000000 0.0000000 -1.8472530 0.1517505 0.0000000 0.1464555 -2.4726232 27 O -1.4835169 0.0000000 0.0000000 0.0000000 -1.8472530 0.1517505 0.0000000 0.1464555 -2.4726232 28 O -1.4835169 0.0000000 0.0000000 0.0000000 -1.8472530 -0.1517505 0.0000000 -0.1464555 -2.4726232 29 O -1.4835169 0.0000000 0.0000000 0.0000000 -1.8472530 -0.1517505 0.0000000 -0.1464555 -2.4726232 30 O -1.6283008 0.0000000 0.0000000 0.0000000 -2.0963569 0.3907744 0.0000000 0.4688186 -2.0983758 31 O -1.6283008 0.0000000 0.0000000 0.0000000 -2.0963569 0.3907744 0.0000000 0.4688186 -2.0983758 32 O -1.6283008 0.0000000 0.0000000 0.0000000 -2.0963569 -0.3907744 0.0000000 -0.4688186 -2.0983758 33 O -1.6283008 0.0000000 0.0000000 0.0000000 -2.0963569 -0.3907744 0.0000000 -0.4688186 -2.0983758 ---------------------------------------------------------------------------- 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[ 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[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 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[ 89, 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[ 97, 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: -0.00000000 (zxz) -0.00000000 (zxz) -0.00000000 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:35:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:35:38]------------------------- 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: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.643178085000000 3.982316335000000 6.415437020000000 b 3.643178085000000 -3.982316335000000 6.415437020000000 c 3.643178085000000 3.982316335000000 -6.415437020000000 Atomic positions (fractional): 1 Pb 0.72821870025240 0.72821870025240 0.00000000000000 207.200 2 Pb 0.27178129974760 0.27178129974760 0.00000000000000 207.200 3 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 4 Rb 0.50000000000000 0.76556974089528 0.26556974089528 85.468 5 Rb 0.50000000000000 0.23443025910472 0.73443025910472 85.468 6 Li 0.15827988454370 0.50000000000000 0.65827988454370 6.941 7 Li 0.84172011545630 0.50000000000000 0.34172011545630 6.941 8 Li 0.12306130435204 0.76871344648497 0.35434785786707 6.941 9 Li 0.87693869564796 0.23128655351503 0.64565214213293 6.941 10 Li 0.58563441138210 0.23128655351503 0.35434785786707 6.941 11 Li 0.41436558861790 0.76871344648497 0.64565214213293 6.941 12 Li 0.02204718891182 0.13747554117300 0.42844423022800 6.941 13 Li 0.97795281108818 0.40639704131618 0.11542835226118 6.941 14 Li 0.29096868905500 0.86252445882700 0.88457164773882 6.941 15 Li 0.70903131094500 0.59360295868382 0.57155576977200 6.941 16 Li 0.97795281108818 0.86252445882700 0.57155576977200 6.941 17 Li 0.02204718891182 0.59360295868382 0.88457164773882 6.941 18 Li 0.70903131094500 0.13747554117300 0.11542835226118 6.941 19 Li 0.29096868905500 0.40639704131618 0.42844423022800 6.941 20 O 0.74946354488949 0.45750418106201 0.70804063617252 15.999 21 O 0.25053645511051 0.95857709128303 0.70804063617252 15.999 22 O 0.25053645511051 0.54249581893799 0.29195936382748 15.999 23 O 0.74946354488949 0.04142290871697 0.29195936382748 15.999 24 O 0.00000000000000 0.29560105712806 0.29560105712806 15.999 25 O 0.00000000000000 0.70439894287194 0.70439894287194 15.999 26 O 0.06003490095224 0.87282586191942 0.18720903903282 15.999 27 O 0.93996509904776 0.12717413808058 0.81279096096718 15.999 28 O 0.31438317711340 0.12717413808058 0.18720903903282 15.999 29 O 0.68561682288660 0.87282586191942 0.81279096096718 15.999 30 O 0.84735443341998 0.62883919719688 0.21851523622311 15.999 31 O 0.15264556658002 0.37116080280312 0.78148476377690 15.999 32 O 0.58967603902623 0.37116080280312 0.21851523622311 15.999 33 O 0.41032396097377 0.62883919719688 0.78148476377690 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.572712340000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.964632670000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.830874039999999 Atomic positions (fractional): 1 Pb 0.25000000000000 0.50000000000000 0.22821870025240 207.200 > 1 2 Pb 0.75000000000000 0.50000000000000 0.22821870025240 207.200 > 1 3 Pb 0.00000000000000 0.00000000000000 0.27178129974760 207.200 > 3 4 Pb 0.50000000000000 0.00000000000000 0.27178129974760 207.200 > 3 5 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 5 6 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 5 7 Pb 0.00000000000000 0.00000000000000 0.72821870025240 207.200 > 1 8 Pb 0.50000000000000 0.00000000000000 0.72821870025240 207.200 > 1 9 Pb 0.25000000000000 0.50000000000000 0.77178129974760 207.200 > 3 10 Pb 0.75000000000000 0.50000000000000 0.77178129974760 207.200 > 3 11 Pb 0.25000000000000 0.50000000000000 0.50000000000000 207.200 > 5 12 Pb 0.75000000000000 0.50000000000000 0.50000000000000 207.200 > 5 13 Rb 0.38278487044764 0.50000000000000 0.00000000000000 85.468 > 13 14 Rb 0.88278487044764 0.50000000000000 0.00000000000000 85.468 > 13 15 Rb 0.11721512955236 0.50000000000000 0.00000000000000 85.468 > 15 16 Rb 0.61721512955236 0.50000000000000 0.00000000000000 85.468 > 15 17 Rb 0.13278487044764 0.00000000000000 0.50000000000000 85.468 > 13 18 Rb 0.63278487044764 0.00000000000000 0.50000000000000 85.468 > 13 19 Rb 0.36721512955236 0.00000000000000 0.50000000000000 85.468 > 15 20 Rb 0.86721512955236 0.00000000000000 0.50000000000000 85.468 > 15 21 Li 0.25000000000000 0.15827988454370 0.00000000000000 6.941 > 21 22 Li 0.75000000000000 0.15827988454370 0.00000000000000 6.941 > 21 23 Li 0.25000000000000 0.84172011545630 0.00000000000000 6.941 > 23 24 Li 0.75000000000000 0.84172011545630 0.00000000000000 6.941 > 23 25 Li 0.25000000000000 0.85434785786707 0.26871344648497 6.941 > 25 26 Li 0.75000000000000 0.85434785786707 0.26871344648497 6.941 > 25 27 Li 0.00000000000000 0.64565214213293 0.23128655351503 6.941 > 27 28 Li 0.50000000000000 0.64565214213293 0.23128655351503 6.941 > 27 29 Li 0.00000000000000 0.35434785786707 0.23128655351503 6.941 > 29 30 Li 0.50000000000000 0.35434785786707 0.23128655351503 6.941 > 29 31 Li 0.25000000000000 0.14565214213293 0.26871344648497 6.941 > 31 32 Li 0.75000000000000 0.14565214213293 0.26871344648497 6.941 > 31 33 Li 0.38596814562229 0.65650793898341 0.36553924992841 6.941 > 33 34 Li 0.88596814562229 0.65650793898341 0.36553924992841 6.941 > 33 35 Li 0.13596814562230 0.84349206101659 0.13446075007159 6.941 > 35 36 Li 0.63596814562229 0.84349206101659 0.13446075007159 6.941 > 35 37 Li 0.36403185437771 0.15650793898341 0.13446075007159 6.941 > 37 38 Li 0.86403185437771 0.15650793898341 0.13446075007159 6.941 > 37 39 Li 0.11403185437770 0.34349206101659 0.36553924992841 6.941 > 39 40 Li 0.61403185437771 0.34349206101659 0.36553924992841 6.941 > 39 41 Li 0.36403185437771 0.84349206101659 0.13446075007159 6.941 > 41 42 Li 0.86403185437771 0.84349206101659 0.13446075007159 6.941 > 41 43 Li 0.11403185437770 0.65650793898341 0.36553924992841 6.941 > 43 44 Li 0.61403185437771 0.65650793898341 0.36553924992841 6.941 > 43 45 Li 0.38596814562229 0.34349206101659 0.36553924992841 6.941 > 45 46 Li 0.88596814562229 0.34349206101659 0.36553924992841 6.941 > 45 47 Li 0.13596814562230 0.15650793898341 0.13446075007159 6.941 > 47 48 Li 0.63596814562229 0.15650793898341 0.13446075007159 6.941 > 47 49 Li 0.00000000000000 0.65827988454370 0.50000000000000 6.941 > 21 50 Li 0.50000000000000 0.65827988454370 0.50000000000000 6.941 > 21 51 Li 0.00000000000000 0.34172011545630 0.50000000000000 6.941 > 23 52 Li 0.50000000000000 0.34172011545630 0.50000000000000 6.941 > 23 53 Li 0.00000000000000 0.35434785786707 0.76871344648497 6.941 > 25 54 Li 0.50000000000000 0.35434785786707 0.76871344648497 6.941 > 25 55 Li 0.25000000000000 0.14565214213293 0.73128655351503 6.941 > 27 56 Li 0.75000000000000 0.14565214213293 0.73128655351503 6.941 > 27 57 Li 0.25000000000000 0.85434785786707 0.73128655351503 6.941 > 29 58 Li 0.75000000000000 0.85434785786707 0.73128655351503 6.941 > 29 59 Li 0.00000000000000 0.64565214213293 0.76871344648497 6.941 > 31 60 Li 0.50000000000000 0.64565214213293 0.76871344648497 6.941 > 31 61 Li 0.13596814562230 0.15650793898341 0.86553924992841 6.941 > 33 62 Li 0.63596814562229 0.15650793898341 0.86553924992841 6.941 > 33 63 Li 0.38596814562229 0.34349206101659 0.63446075007159 6.941 > 35 64 Li 0.88596814562229 0.34349206101659 0.63446075007159 6.941 > 35 65 Li 0.11403185437770 0.65650793898341 0.63446075007159 6.941 > 37 66 Li 0.61403185437771 0.65650793898341 0.63446075007159 6.941 > 37 67 Li 0.36403185437771 0.84349206101659 0.86553924992841 6.941 > 39 68 Li 0.86403185437771 0.84349206101659 0.86553924992841 6.941 > 39 69 Li 0.11403185437770 0.34349206101659 0.63446075007159 6.941 > 41 70 Li 0.61403185437771 0.34349206101659 0.63446075007159 6.941 > 41 71 Li 0.36403185437771 0.15650793898341 0.86553924992841 6.941 > 43 72 Li 0.86403185437771 0.15650793898341 0.86553924992841 6.941 > 43 73 Li 0.13596814562230 0.84349206101659 0.86553924992841 6.941 > 45 74 Li 0.63596814562229 0.84349206101659 0.86553924992841 6.941 > 45 75 Li 0.38596814562229 0.65650793898341 0.63446075007159 6.941 > 47 76 Li 0.88596814562229 0.65650793898341 0.63446075007159 6.941 > 47 77 O 0.10402031808626 0.50000000000000 0.24946354488949 15.999 > 77 78 O 0.60402031808626 0.50000000000000 0.24946354488949 15.999 > 77 79 O 0.35402031808626 0.00000000000000 0.25053645511051 15.999 > 79 80 O 0.85402031808626 0.00000000000000 0.25053645511051 15.999 > 79 81 O 0.14597968191374 0.00000000000000 0.25053645511051 15.999 > 81 82 O 0.64597968191374 0.00000000000000 0.25053645511051 15.999 > 81 83 O 0.39597968191374 0.50000000000000 0.24946354488949 15.999 > 83 84 O 0.89597968191374 0.50000000000000 0.24946354488949 15.999 > 83 85 O 0.14780052856403 0.00000000000000 0.00000000000000 15.999 > 85 86 O 0.64780052856403 0.00000000000000 0.00000000000000 15.999 > 85 87 O 0.35219947143597 0.00000000000000 0.00000000000000 15.999 > 87 88 O 0.85219947143597 0.00000000000000 0.00000000000000 15.999 > 87 89 O 0.25000000000000 0.68720903903282 0.37282586191942 15.999 > 89 90 O 0.75000000000000 0.68720903903282 0.37282586191942 15.999 > 89 91 O 0.00000000000000 0.81279096096718 0.12717413808058 15.999 > 91 92 O 0.50000000000000 0.81279096096718 0.12717413808058 15.999 > 91 93 O 0.00000000000000 0.18720903903282 0.12717413808058 15.999 > 93 94 O 0.50000000000000 0.18720903903282 0.12717413808058 15.999 > 93 95 O 0.25000000000000 0.31279096096718 0.37282586191942 15.999 > 95 96 O 0.75000000000000 0.31279096096718 0.37282586191942 15.999 > 95 97 O 0.25000000000000 0.71851523622310 0.12883919719688 15.999 > 97 98 O 0.75000000000000 0.71851523622310 0.12883919719688 15.999 > 97 99 O 0.00000000000000 0.78148476377690 0.37116080280312 15.999 > 99 100 O 0.50000000000000 0.78148476377690 0.37116080280312 15.999 > 99 101 O 0.00000000000000 0.21851523622311 0.37116080280312 15.999 > 101 102 O 0.50000000000000 0.21851523622311 0.37116080280312 15.999 > 101 103 O 0.25000000000000 0.28148476377690 0.12883919719688 15.999 > 103 104 O 0.75000000000000 0.28148476377690 0.12883919719688 15.999 > 103 105 O 0.35402031808626 0.00000000000000 0.74946354488949 15.999 > 77 106 O 0.85402031808626 0.00000000000000 0.74946354488949 15.999 > 77 107 O 0.10402031808626 0.50000000000000 0.75053645511051 15.999 > 79 108 O 0.60402031808626 0.50000000000000 0.75053645511051 15.999 > 79 109 O 0.39597968191374 0.50000000000000 0.75053645511051 15.999 > 81 110 O 0.89597968191374 0.50000000000000 0.75053645511051 15.999 > 81 111 O 0.14597968191374 0.00000000000000 0.74946354488949 15.999 > 83 112 O 0.64597968191374 0.00000000000000 0.74946354488949 15.999 > 83 113 O 0.39780052856403 0.50000000000000 0.50000000000000 15.999 > 85 114 O 0.89780052856403 0.50000000000000 0.50000000000000 15.999 > 85 115 O 0.10219947143597 0.50000000000000 0.50000000000000 15.999 > 87 116 O 0.60219947143597 0.50000000000000 0.50000000000000 15.999 > 87 117 O 0.00000000000000 0.18720903903282 0.87282586191942 15.999 > 89 118 O 0.50000000000000 0.18720903903282 0.87282586191942 15.999 > 89 119 O 0.25000000000000 0.31279096096718 0.62717413808058 15.999 > 91 120 O 0.75000000000000 0.31279096096718 0.62717413808058 15.999 > 91 121 O 0.25000000000000 0.68720903903282 0.62717413808058 15.999 > 93 122 O 0.75000000000000 0.68720903903282 0.62717413808058 15.999 > 93 123 O 0.00000000000000 0.81279096096718 0.87282586191942 15.999 > 95 124 O 0.50000000000000 0.81279096096718 0.87282586191942 15.999 > 95 125 O 0.00000000000000 0.21851523622311 0.62883919719688 15.999 > 97 126 O 0.50000000000000 0.21851523622311 0.62883919719688 15.999 > 97 127 O 0.25000000000000 0.28148476377690 0.87116080280312 15.999 > 99 128 O 0.75000000000000 0.28148476377690 0.87116080280312 15.999 > 99 129 O 0.25000000000000 0.71851523622310 0.87116080280312 15.999 > 101 130 O 0.75000000000000 0.71851523622310 0.87116080280312 15.999 > 101 131 O 0.00000000000000 0.78148476377690 0.62883919719688 15.999 > 103 132 O 0.50000000000000 0.78148476377690 0.62883919719688 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8263065 0.0000000 0.0000000 0.0000000 3.6182015 0.0000000 0.0000000 0.0000000 3.8842515 -------------------------- Born effective charges -------------------------- 1 Pb 3.2703795 0.0000000 0.0000000 0.0000000 3.0971840 0.0000000 0.0000000 0.0000000 3.9358065 2 Pb 3.2703795 0.0000000 0.0000000 0.0000000 3.0971840 0.0000000 0.0000000 0.0000000 3.9358065 3 Pb 3.4087791 0.0000000 0.0000000 0.0000000 2.4711894 0.0000000 0.0000000 0.0000000 4.5734230 4 Rb 1.1342864 0.0000000 0.0000000 0.0000000 1.2367488 0.0000000 0.0000000 0.0000000 1.4447323 5 Rb 1.1342864 0.0000000 0.0000000 0.0000000 1.2367488 0.0000000 0.0000000 0.0000000 1.4447323 6 Li 1.1036401 0.0000000 0.0000000 0.0000000 1.0867331 0.0000000 0.0000000 0.0000000 1.2292786 7 Li 1.1036401 0.0000000 0.0000000 0.0000000 1.0867331 0.0000000 0.0000000 0.0000000 1.2292786 8 Li 1.1679345 0.0000000 0.0000000 0.0000000 1.1842021 -0.0888033 0.0000000 -0.1542410 0.7870391 9 Li 1.1679345 0.0000000 0.0000000 0.0000000 1.1842021 -0.0888033 0.0000000 -0.1542410 0.7870391 10 Li 1.1679345 0.0000000 0.0000000 0.0000000 1.1842021 0.0888033 0.0000000 0.1542410 0.7870391 11 Li 1.1679345 0.0000000 0.0000000 0.0000000 1.1842021 0.0888033 0.0000000 0.1542410 0.7870391 12 Li 0.9614117 0.2611760 0.0185187 0.3396487 0.9548546 -0.0457035 -0.1234637 -0.0879923 0.9178291 13 Li 0.9614117 -0.2611760 -0.0185187 -0.3396487 0.9548546 -0.0457035 0.1234637 -0.0879923 0.9178291 14 Li 0.9614117 -0.2611760 0.0185187 -0.3396487 0.9548546 0.0457035 -0.1234637 0.0879923 0.9178291 15 Li 0.9614117 0.2611760 -0.0185187 0.3396487 0.9548546 0.0457035 0.1234637 0.0879923 0.9178291 16 Li 0.9614117 0.2611760 0.0185187 0.3396487 0.9548546 -0.0457035 -0.1234637 -0.0879923 0.9178291 17 Li 0.9614117 -0.2611760 -0.0185187 -0.3396487 0.9548546 -0.0457035 0.1234637 -0.0879923 0.9178291 18 Li 0.9614117 -0.2611760 0.0185187 -0.3396487 0.9548546 0.0457035 -0.1234637 0.0879923 0.9178291 19 Li 0.9614117 0.2611760 -0.0185187 0.3396487 0.9548546 0.0457035 0.1234637 0.0879923 0.9178291 20 O -2.3990333 0.0000000 -0.0052903 0.0000000 -1.6645619 0.0000000 -0.1888112 0.0000000 -1.5571643 21 O -2.3990333 0.0000000 0.0052903 0.0000000 -1.6645619 0.0000000 0.1888112 0.0000000 -1.5571643 22 O -2.3990333 0.0000000 -0.0052903 0.0000000 -1.6645619 0.0000000 -0.1888112 0.0000000 -1.5571643 23 O -2.3990333 0.0000000 0.0052903 0.0000000 -1.6645619 0.0000000 0.1888112 0.0000000 -1.5571643 24 O -2.3725094 0.0000000 0.0000000 0.0000000 -1.6277395 0.0000000 0.0000000 0.0000000 -1.8855970 25 O -2.3725094 0.0000000 0.0000000 0.0000000 -1.6277395 0.0000000 0.0000000 0.0000000 -1.8855970 26 O -1.4835169 0.0000000 0.0000000 0.0000000 -1.8472530 0.1517505 0.0000000 0.1464555 -2.4726232 27 O -1.4835169 0.0000000 0.0000000 0.0000000 -1.8472530 0.1517505 0.0000000 0.1464555 -2.4726232 28 O -1.4835169 0.0000000 0.0000000 0.0000000 -1.8472530 -0.1517505 0.0000000 -0.1464555 -2.4726232 29 O -1.4835169 0.0000000 0.0000000 0.0000000 -1.8472530 -0.1517505 0.0000000 -0.1464555 -2.4726232 30 O -1.6283008 0.0000000 0.0000000 0.0000000 -2.0963569 0.3907744 0.0000000 0.4688186 -2.0983758 31 O -1.6283008 0.0000000 0.0000000 0.0000000 -2.0963569 0.3907744 0.0000000 0.4688186 -2.0983758 32 O -1.6283008 0.0000000 0.0000000 0.0000000 -2.0963569 -0.3907744 0.0000000 -0.4688186 -2.0983758 33 O -1.6283008 0.0000000 0.0000000 0.0000000 -2.0963569 -0.3907744 0.0000000 -0.4688186 -2.0983758 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zxz) -0.00000000 (zxz) -0.00000000 (zzx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 2 168 ] Grid generation matrix: [ 0 7 7 ] [ 6 0 6 ] [ 4 4 0 ] 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: 0.58, Number of G-points: 303, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.391 ( 0.000 0.000 0.000) 0.000 1.737 ( 0.000 0.000 0.000) 0.000 1.958 ( 0.000 0.000 0.000) 0.000 1.975 ( 0.000 0.000 0.000) 0.000 2.483 ( 0.000 0.000 0.000) 0.000 2.818 ( 0.000 0.000 0.000) 0.000 2.856 ( 0.000 0.000 0.000) 0.000 2.885 ( 0.000 0.000 0.000) 0.000 3.262 ( 0.000 0.000 0.000) 0.000 3.564 ( 0.000 0.000 0.000) 0.000 3.566 ( 0.000 0.000 0.000) 0.000 3.815 ( 0.000 0.000 0.000) 0.000 4.299 ( 0.000 0.000 0.000) 0.000 4.559 ( 0.000 0.000 0.000) 0.000 5.351 ( 0.000 0.000 0.000) 0.000 5.618 ( 0.000 0.000 0.000) 0.000 5.823 ( 0.000 0.000 0.000) 0.000 6.378 ( 0.000 0.000 0.000) 0.000 6.572 ( 0.000 0.000 0.000) 0.000 6.608 ( 0.000 0.000 0.000) 0.000 6.638 ( 0.000 0.000 0.000) 0.000 6.847 ( 0.000 0.000 0.000) 0.000 6.970 ( 0.000 0.000 0.000) 0.000 7.110 ( 0.000 0.000 0.000) 0.000 7.118 ( 0.000 0.000 0.000) 0.000 7.290 ( 0.000 0.000 0.000) 0.000 7.303 ( 0.000 0.000 0.000) 0.000 7.477 ( 0.000 0.000 0.000) 0.000 7.557 ( 0.000 0.000 0.000) 0.000 7.840 ( 0.000 0.000 0.000) 0.000 8.102 ( 0.000 0.000 0.000) 0.000 8.220 ( 0.000 0.000 0.000) 0.000 8.236 ( 0.000 0.000 0.000) 0.000 8.556 ( 0.000 0.000 0.000) 0.000 8.592 ( 0.000 0.000 0.000) 0.000 8.662 ( 0.000 0.000 0.000) 0.000 9.001 ( 0.000 0.000 0.000) 0.000 9.105 ( 0.000 0.000 0.000) 0.000 9.293 ( 0.000 0.000 0.000) 0.000 9.469 ( 0.000 0.000 0.000) 0.000 9.546 ( 0.000 0.000 0.000) 0.000 9.717 ( 0.000 0.000 0.000) 0.000 9.825 ( 0.000 0.000 0.000) 0.000 10.274 ( 0.000 0.000 0.000) 0.000 10.421 ( 0.000 0.000 0.000) 0.000 10.488 ( 0.000 0.000 0.000) 0.000 10.546 ( 0.000 0.000 0.000) 0.000 11.228 ( 0.000 0.000 0.000) 0.000 11.490 ( 0.000 0.000 0.000) 0.000 11.511 ( 0.000 0.000 0.000) 0.000 11.839 ( 0.000 0.000 0.000) 0.000 12.070 ( 0.000 0.000 0.000) 0.000 12.099 ( 0.000 0.000 0.000) 0.000 12.122 ( 0.000 0.000 0.000) 0.000 12.609 ( 0.000 0.000 0.000) 0.000 12.787 ( 0.000 0.000 0.000) 0.000 12.885 ( 0.000 0.000 0.000) 0.000 13.021 ( 0.000 0.000 0.000) 0.000 13.033 ( 0.000 0.000 0.000) 0.000 13.088 ( 0.000 0.000 0.000) 0.000 13.647 ( 0.000 0.000 0.000) 0.000 13.669 ( 0.000 0.000 0.000) 0.000 13.789 ( 0.000 0.000 0.000) 0.000 13.844 ( 0.000 0.000 0.000) 0.000 13.931 ( 0.000 0.000 0.000) 0.000 14.374 ( 0.000 0.000 0.000) 0.000 14.722 ( 0.000 0.000 0.000) 0.000 14.802 ( 0.000 0.000 0.000) 0.000 14.885 ( 0.000 0.000 0.000) 0.000 14.898 ( 0.000 0.000 0.000) 0.000 14.992 ( 0.000 0.000 0.000) 0.000 15.087 ( 0.000 0.000 0.000) 0.000 15.182 ( 0.000 0.000 0.000) 0.000 15.193 ( 0.000 0.000 0.000) 0.000 15.246 ( 0.000 0.000 0.000) 0.000 15.503 ( 0.000 0.000 0.000) 0.000 15.504 ( 0.000 0.000 0.000) 0.000 15.692 ( 0.000 0.000 0.000) 0.000 15.870 ( 0.000 0.000 0.000) 0.000 16.009 ( 0.000 0.000 0.000) 0.000 16.302 ( 0.000 0.000 0.000) 0.000 16.433 ( 0.000 0.000 0.000) 0.000 16.488 ( 0.000 0.000 0.000) 0.000 16.632 ( 0.000 0.000 0.000) 0.000 16.687 ( 0.000 0.000 0.000) 0.000 16.749 ( 0.000 0.000 0.000) 0.000 16.781 ( 0.000 0.000 0.000) 0.000 16.916 ( 0.000 0.000 0.000) 0.000 17.357 ( 0.000 0.000 0.000) 0.000 17.392 ( 0.000 0.000 0.000) 0.000 17.443 ( 0.000 0.000 0.000) 0.000 17.897 ( 0.000 0.000 0.000) 0.000 18.060 ( 0.000 0.000 0.000) 0.000 18.636 ( 0.000 0.000 0.000) 0.000 19.747 ( 0.000 0.000 0.000) 0.000 20.228 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -0.000 -0.000 -0.000) 0.000 1.495 ( 0.000 0.000 0.000) 0.000 1.505 ( -0.000 -0.000 -0.000) 0.000 1.802 ( -0.000 -0.000 -0.000) 0.000 1.860 ( -0.000 -0.000 0.000) 0.000 2.222 ( -0.000 -0.000 -0.000) 0.000 2.233 ( -0.000 -0.000 -0.000) 0.000 2.566 ( -0.000 -0.000 -0.000) 0.000 2.727 ( -0.000 -0.000 -0.000) 0.000 2.837 ( 0.000 0.000 -0.000) 0.000 2.962 ( -0.000 -0.000 0.000) 0.000 3.290 ( -0.000 -0.000 -0.000) 0.000 3.308 ( -0.000 -0.000 -0.000) 0.000 3.330 ( 0.000 0.000 0.000) 0.000 4.225 ( -0.000 -0.000 -0.000) 0.000 4.785 ( -0.000 -0.000 0.000) 0.000 4.909 ( -0.000 -0.000 -0.000) 0.000 5.238 ( -0.000 -0.000 -0.000) 0.000 5.418 ( -0.000 -0.000 -0.000) 0.000 5.703 ( -0.000 -0.000 -0.000) 0.000 6.094 ( -0.000 -0.000 0.000) 0.000 6.308 ( -0.000 -0.000 -0.000) 0.000 6.577 ( -0.000 -0.000 -0.000) 0.000 6.669 ( -0.000 -0.000 -0.000) 0.000 6.972 ( -0.000 0.000 -0.000) 0.000 7.008 ( 0.000 0.000 0.000) 0.000 7.038 ( -0.000 -0.000 -0.000) 0.000 7.060 ( -0.000 -0.000 -0.000) 0.000 7.242 ( -0.000 -0.000 -0.000) 0.000 7.284 ( 0.000 0.000 -0.000) 0.000 7.502 ( -0.000 -0.000 0.000) 0.000 7.502 ( -0.000 -0.000 0.000) 0.000 7.572 ( 0.000 0.000 -0.000) 0.000 7.815 ( -0.000 -0.000 -0.000) 0.000 8.262 ( -0.000 -0.000 -0.000) 0.000 8.449 ( -0.000 -0.000 -0.000) 0.000 8.597 ( -0.000 -0.000 -0.000) 0.000 8.690 ( -0.000 -0.000 -0.000) 0.000 8.804 ( -0.000 -0.000 -0.000) 0.000 8.918 ( 0.000 0.000 0.000) 0.000 9.188 ( -0.000 -0.000 0.000) 0.000 9.273 ( -0.000 -0.000 -0.000) 0.000 9.433 ( -0.000 -0.000 -0.000) 0.000 9.714 ( -0.000 -0.000 -0.000) 0.000 9.823 ( -0.000 -0.000 -0.000) 0.000 9.928 ( -0.000 -0.000 -0.000) 0.000 10.516 ( -0.000 -0.000 -0.000) 0.000 10.572 ( -0.000 -0.000 -0.000) 0.000 10.976 ( -0.000 -0.000 -0.000) 0.000 11.086 ( -0.000 -0.000 -0.000) 0.000 11.150 ( 0.000 0.000 0.000) 0.000 11.317 ( -0.000 -0.000 -0.000) 0.000 11.625 ( -0.000 -0.000 -0.000) 0.000 11.838 ( -0.000 -0.000 0.000) 0.000 11.946 ( -0.000 -0.000 -0.000) 0.000 12.083 ( -0.000 -0.000 -0.000) 0.000 12.349 ( -0.000 -0.000 -0.000) 0.000 12.452 ( -0.000 -0.000 -0.000) 0.000 12.819 ( -0.000 -0.000 -0.000) 0.000 12.909 ( -0.000 -0.000 -0.000) 0.000 12.931 ( -0.000 -0.000 -0.000) 0.000 13.195 ( -0.000 -0.000 0.000) 0.000 13.198 ( 0.000 0.000 -0.000) 0.000 13.280 ( -0.000 -0.000 -0.000) 0.000 13.779 ( -0.000 -0.000 -0.000) 0.000 13.805 ( -0.000 -0.000 -0.000) 0.000 14.012 ( -0.000 -0.000 -0.000) 0.000 14.412 ( -0.000 -0.000 -0.000) 0.000 14.431 ( -0.000 -0.000 -0.000) 0.000 14.595 ( -0.000 -0.000 -0.000) 0.000 14.612 ( -0.000 -0.000 0.000) 0.000 14.618 ( -0.000 -0.000 -0.000) 0.000 14.964 ( -0.000 -0.000 -0.000) 0.000 14.965 ( -0.000 -0.000 -0.000) 0.000 15.064 ( -0.000 -0.000 -0.000) 0.000 15.180 ( -0.000 -0.000 0.000) 0.000 15.200 ( 0.000 0.000 -0.000) 0.000 15.365 ( -0.000 -0.000 -0.000) 0.000 15.573 ( -0.000 -0.000 0.000) 0.000 15.779 ( -0.000 -0.000 -0.000) 0.000 15.790 ( -0.000 -0.000 -0.000) 0.000 16.080 ( -0.000 -0.000 -0.000) 0.000 16.087 ( -0.000 -0.000 -0.000) 0.000 16.470 ( -0.000 -0.000 -0.000) 0.000 16.605 ( -0.000 -0.000 -0.000) 0.000 16.652 ( -0.000 -0.000 -0.000) 0.000 16.732 ( -0.000 -0.000 -0.000) 0.000 16.792 ( -0.000 0.000 -0.000) 0.000 16.847 ( -0.000 -0.000 -0.000) 0.000 17.012 ( -0.000 -0.000 0.000) 0.000 17.108 ( -0.000 -0.000 -0.000) 0.000 17.390 ( -0.000 -0.000 -0.000) 0.000 17.601 ( -0.000 -0.000 0.000) 0.000 18.007 ( -0.000 -0.000 -0.000) 0.000 18.379 ( -0.000 -0.000 -0.000) 0.000 18.793 ( -0.000 -0.000 0.000) 0.000 18.868 ( 0.000 0.000 0.000) 0.000 19.676 ( -0.000 -0.000 0.000) 0.000 20.129 ( -0.000 -0.000 -0.000) 0.000 ======================= Grid point 3 (3/72) ======================= q-point: ( 0.17 -0.42 -0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -5.621 12.507 -1.841) 13.835 1.647 ( -11.152 1.911 -5.581) 12.616 1.752 ( -5.371 2.154 -1.195) 5.909 1.978 ( -1.194 -0.909 3.005) 3.359 2.090 ( -5.918 -2.990 -1.239) 6.745 2.140 ( -5.462 -2.794 -3.128) 6.886 2.512 ( -8.171 0.234 2.616) 8.583 2.577 ( -0.939 0.030 1.034) 1.398 2.690 ( 4.283 1.470 2.320) 5.088 2.730 ( 2.375 7.456 0.954) 7.883 3.134 ( 9.267 0.313 -0.835) 9.309 3.239 ( -9.357 4.005 -7.659) 12.737 3.284 ( 1.062 -3.644 -1.743) 4.177 3.522 ( -3.722 -6.196 3.695) 8.118 4.123 ( 3.459 -4.292 -0.478) 5.533 4.412 ( -7.550 8.340 2.068) 11.438 4.430 ( 2.108 9.515 -1.424) 9.849 5.299 ( 5.598 -0.268 -11.911) 13.164 5.621 ( 0.104 -4.933 -4.325) 6.561 5.877 ( 1.814 -1.096 1.403) 2.542 6.024 ( -2.649 1.889 3.354) 4.673 6.124 ( 7.988 1.262 3.177) 8.689 6.252 ( 2.018 1.966 4.083) 4.960 6.441 ( 3.580 6.370 4.889) 8.792 6.665 ( 0.602 -3.925 4.536) 6.028 7.030 ( 1.371 2.052 2.065) 3.217 7.178 ( -0.762 -9.239 -0.915) 9.315 7.252 ( -1.121 0.672 -5.081) 5.246 7.465 ( -4.047 -2.339 0.030) 4.675 7.603 ( -0.962 -4.618 -8.010) 9.296 7.642 ( -7.110 2.803 -8.097) 11.134 7.793 ( -5.148 -1.660 -0.036) 5.409 7.958 ( 1.812 2.824 1.122) 3.538 8.052 ( -1.923 3.533 -2.835) 4.921 8.370 ( 1.951 -4.700 4.899) 7.064 8.456 ( -1.439 -13.485 2.076) 13.720 8.632 ( 8.135 -6.449 0.870) 10.418 8.731 ( -0.220 2.530 7.813) 8.216 8.904 ( -8.281 -4.944 0.636) 9.665 9.071 ( -7.556 4.246 -4.212) 9.636 9.307 ( -8.444 -0.289 3.479) 9.137 9.371 ( 4.739 -6.994 -2.002) 8.683 9.412 ( 2.928 -0.354 -2.299) 3.740 9.621 ( 2.269 3.048 -5.645) 6.805 9.894 ( -10.269 9.487 -0.148) 13.981 9.959 ( 4.296 -0.509 2.859) 5.186 10.101 ( 1.539 9.430 2.170) 9.798 10.242 ( -11.546 5.192 -3.821) 13.224 10.303 ( 9.670 1.844 1.233) 9.922 10.814 ( 7.355 1.924 4.565) 8.867 10.844 ( 8.487 3.942 4.962) 10.592 11.247 ( -0.479 1.191 -0.584) 1.410 11.364 ( 11.809 -0.599 -2.673) 12.123 11.518 ( 5.547 -3.308 -2.224) 6.831 11.740 ( -0.875 7.147 -1.001) 7.270 12.071 ( -1.555 -2.210 -1.889) 3.297 12.177 ( 0.118 0.393 -0.036) 0.412 12.269 ( 2.438 -0.905 2.949) 3.932 12.691 ( 1.324 -4.277 1.396) 4.690 12.809 ( 2.568 1.819 2.037) 3.749 12.960 ( -4.337 -0.112 -1.866) 4.722 13.305 ( -6.907 -1.930 -4.414) 8.421 13.490 ( -0.839 -2.201 0.316) 2.377 13.608 ( -1.976 -4.135 -3.909) 6.023 13.777 ( 0.050 2.037 1.515) 2.539 13.916 ( 3.331 0.883 2.575) 4.301 14.049 ( 5.381 2.955 2.119) 6.495 14.121 ( -6.189 -2.968 0.532) 6.884 14.296 ( 0.922 -0.733 4.443) 4.597 14.325 ( 3.037 -0.858 -0.096) 3.157 14.469 ( -0.898 1.601 -0.816) 2.009 14.698 ( 1.246 3.076 0.436) 3.348 14.810 ( 0.959 -2.228 -2.027) 3.161 14.842 ( 4.032 3.270 -0.797) 5.252 14.895 ( 0.903 1.723 -4.489) 4.893 15.015 ( 3.590 -6.001 0.323) 7.000 15.100 ( -1.766 -0.362 1.790) 2.541 15.407 ( -0.406 -2.346 -2.455) 3.420 15.435 ( -0.756 -1.943 -2.783) 3.477 15.567 ( 0.560 -1.579 0.434) 1.730 15.786 ( 0.410 2.582 1.762) 3.153 15.847 ( 0.526 0.043 1.371) 1.469 16.259 ( -1.697 -3.049 -0.141) 3.492 16.362 ( 2.433 -2.840 -2.572) 4.539 16.422 ( 1.181 3.939 1.316) 4.318 16.594 ( -0.807 2.823 -3.657) 4.689 16.657 ( 1.940 -4.248 -0.546) 4.702 16.762 ( -0.613 2.516 2.140) 3.359 16.997 ( 2.495 3.202 9.928) 10.726 17.205 ( -5.907 0.494 1.253) 6.059 17.233 ( 0.457 4.292 -1.529) 4.579 17.426 ( -0.540 -3.498 -5.082) 6.193 17.819 ( -4.180 17.480 -1.221) 18.014 18.010 ( 2.474 9.090 -3.777) 10.149 18.344 ( -3.821 8.243 10.300) 13.735 18.998 ( -3.536 -1.361 -7.376) 8.292 19.514 ( 4.383 -7.145 -1.690) 8.551 19.729 ( 4.572 -9.604 6.430) 12.429 20.362 ( -4.428 -15.761 -0.330) 16.375 ======================= Grid point 4 (4/72) ======================= q-point: (-0.33 0.58 -0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -1.423 -6.424 0.231) 6.584 1.775 ( 1.991 1.001 3.705) 4.324 1.876 ( -0.348 -2.101 -0.856) 2.295 1.924 ( -3.640 -1.824 -2.748) 4.912 2.081 ( -0.716 2.230 0.979) 2.538 2.104 ( 2.025 7.440 1.306) 7.821 2.506 ( -6.444 2.405 -4.541) 8.242 2.596 ( -0.875 1.036 -3.854) 4.085 2.639 ( 3.656 2.694 -1.846) 4.902 2.868 ( -0.310 -5.174 1.187) 5.317 3.097 ( -1.909 -6.218 2.692) 7.040 3.157 ( -2.922 -0.486 6.561) 7.199 3.399 ( 1.883 2.194 -3.235) 4.338 3.575 ( 0.276 -4.481 -1.657) 4.785 4.006 ( 0.754 2.385 0.206) 2.510 4.588 ( -2.167 -9.994 0.377) 10.233 4.719 ( 7.815 -4.028 -1.392) 8.901 5.216 ( -3.731 0.263 9.431) 10.146 5.516 ( 1.387 6.453 2.535) 7.070 5.896 ( -1.142 -0.273 1.652) 2.027 5.921 ( -2.529 -3.505 1.442) 4.556 6.220 ( 1.538 -3.134 -8.882) 9.544 6.317 ( 2.871 -0.002 -4.466) 5.310 6.549 ( -4.499 -8.853 -0.477) 9.942 6.595 ( 6.450 1.164 0.307) 6.562 6.894 ( -3.456 9.208 -4.602) 10.858 7.015 ( 0.268 4.273 2.814) 5.123 7.223 ( 0.338 7.151 4.761) 8.598 7.441 ( -4.218 0.386 1.850) 4.622 7.596 ( 2.505 -2.208 3.679) 4.969 7.701 ( -0.077 0.842 -5.417) 5.482 7.848 ( -1.165 3.005 1.994) 3.789 8.041 ( 1.481 -0.071 1.447) 2.072 8.152 ( 5.692 0.410 -0.566) 5.734 8.194 ( -3.084 8.428 -2.198) 9.240 8.277 ( 2.505 3.840 -1.441) 4.806 8.478 ( -0.435 -0.835 3.811) 3.925 8.699 ( -6.432 3.696 -0.939) 7.478 8.777 ( 0.786 0.230 -2.495) 2.626 9.035 ( -8.770 0.450 7.122) 11.307 9.274 ( 0.967 -1.297 -5.627) 5.855 9.393 ( -2.946 0.840 -1.424) 3.378 9.547 ( 4.357 -1.549 -1.309) 4.806 9.741 ( 11.690 1.091 0.602) 11.756 9.798 ( -5.261 3.776 -1.659) 6.685 10.123 ( -1.584 -1.439 -1.963) 2.904 10.249 ( 3.613 -3.287 1.930) 5.252 10.321 ( 2.235 -6.564 -3.379) 7.714 10.594 ( -3.071 -9.437 -4.589) 10.934 10.670 ( -4.242 0.095 3.622) 5.578 10.789 ( -0.423 -9.596 4.588) 10.645 11.317 ( 2.255 -1.665 -1.423) 3.143 11.415 ( 14.196 7.577 0.893) 16.116 11.456 ( 7.974 -2.723 0.345) 8.433 11.939 ( -1.340 -4.668 -0.730) 4.911 12.063 ( 5.200 -0.239 3.243) 6.133 12.137 ( -2.247 1.680 -0.459) 2.842 12.246 ( 0.653 0.086 -2.217) 2.313 12.495 ( -5.692 4.257 3.313) 7.842 12.796 ( 0.012 -1.474 -0.622) 1.600 13.052 ( 1.428 0.306 -3.872) 4.138 13.317 ( 1.862 4.981 -0.660) 5.358 13.447 ( -1.115 0.342 2.599) 2.849 13.584 ( -2.932 0.081 3.448) 4.526 13.772 ( -1.845 3.195 -1.776) 4.095 13.881 ( -1.403 -4.548 -2.453) 5.354 13.940 ( 1.640 2.280 5.608) 6.271 14.177 ( 6.806 4.959 -6.490) 10.631 14.227 ( -3.781 -2.892 0.734) 4.816 14.378 ( 6.895 -0.185 -3.649) 7.803 14.508 ( -3.249 1.365 -2.302) 4.209 14.701 ( -4.941 0.795 2.447) 5.571 14.777 ( 4.050 0.258 4.667) 6.185 14.877 ( -0.110 -4.061 -0.101) 4.064 14.955 ( 0.771 -3.542 2.114) 4.197 14.992 ( 8.370 1.331 -1.314) 8.576 15.134 ( 1.478 -0.278 -1.686) 2.259 15.380 ( 1.943 3.460 -0.329) 3.982 15.440 ( 5.737 2.595 3.461) 7.185 15.531 ( -2.702 0.843 0.243) 2.841 15.826 ( -0.424 -1.755 -1.013) 2.070 15.869 ( -0.179 -3.722 -2.770) 4.643 16.165 ( -1.437 8.725 -0.198) 8.845 16.272 ( 1.540 -0.486 0.933) 1.865 16.482 ( -2.729 -1.498 -0.712) 3.194 16.584 ( 0.015 1.544 2.823) 3.218 16.633 ( 3.253 -1.950 0.329) 3.806 16.847 ( -1.739 -6.569 -5.169) 8.538 17.096 ( -2.862 -7.427 1.041) 8.027 17.165 ( -1.948 2.473 -2.082) 3.774 17.306 ( -0.147 0.981 1.868) 2.115 17.390 ( 2.187 2.741 3.029) 4.634 18.136 ( -6.962 -10.168 -0.799) 12.349 18.336 ( 4.905 -19.483 -0.113) 20.091 18.606 ( -4.113 -14.913 -5.139) 16.301 18.951 ( -7.008 0.293 8.771) 11.230 19.190 ( -8.505 11.219 2.573) 14.311 19.354 ( -2.338 13.172 0.368) 13.383 20.124 ( 10.848 19.872 -5.945) 23.407 ======================= Grid point 5 (5/72) ======================= q-point: ( 0.35 0.15 -0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 8.318 7.194 12.000) 16.277 1.507 ( 10.987 7.617 13.735) 19.167 1.612 ( 3.362 0.988 -1.330) 3.748 1.813 ( 6.230 1.574 -1.880) 6.695 1.963 ( 0.533 -5.531 -1.177) 5.680 2.079 ( -4.069 5.388 5.892) 8.961 2.253 ( 2.065 0.805 -0.258) 2.231 2.530 ( 2.857 1.254 5.194) 6.059 2.732 ( 4.412 9.042 -2.719) 10.422 2.836 ( -2.155 -9.743 -4.630) 11.001 3.073 ( 3.011 -2.260 -0.891) 3.869 3.217 ( 1.157 2.877 7.118) 7.764 3.314 ( 0.072 -1.060 2.799) 2.994 3.422 ( -0.493 -1.518 -2.541) 3.000 4.178 ( -4.793 0.021 -2.059) 5.217 4.464 ( 2.768 18.294 0.475) 18.508 4.802 ( -1.040 8.197 3.645) 9.031 5.465 ( -3.320 -7.645 3.097) 8.891 5.581 ( -2.920 -10.445 -7.196) 13.015 5.728 ( 5.107 -9.148 -3.924) 11.187 6.168 ( -2.127 7.714 2.029) 8.255 6.200 ( -1.774 -7.029 1.719) 7.451 6.482 ( -11.895 -1.588 -3.954) 12.635 6.619 ( -1.559 5.479 -3.739) 6.814 6.772 ( -4.400 8.770 -6.635) 11.845 6.941 ( -0.569 2.627 1.846) 3.261 7.031 ( -4.702 -1.837 -3.592) 6.195 7.141 ( 5.641 -4.613 0.834) 7.334 7.311 ( 7.073 -1.908 -4.097) 8.394 7.399 ( 5.327 -4.057 4.953) 8.328 7.480 ( 5.631 -1.534 1.402) 6.002 7.707 ( 2.891 -9.289 5.616) 11.233 7.864 ( 9.540 -10.864 3.285) 14.826 7.977 ( 7.301 -0.367 0.661) 7.340 8.216 ( -5.775 -2.093 -2.937) 6.809 8.307 ( -7.069 6.160 2.926) 9.822 8.499 ( 0.880 0.950 -1.224) 1.782 8.689 ( 0.927 1.437 3.319) 3.734 8.806 ( 4.717 2.704 -1.219) 5.572 8.951 ( -0.503 -2.960 -1.088) 3.193 9.267 ( 3.507 -0.107 0.016) 3.509 9.328 ( 3.391 1.083 -3.473) 4.973 9.530 ( 4.829 -4.033 -2.317) 6.705 9.673 ( -5.951 -4.110 4.020) 8.275 9.809 ( -4.293 -2.208 8.116) 9.443 10.028 ( -0.636 -5.359 0.473) 5.417 10.272 ( -5.741 14.269 3.987) 15.889 10.571 ( 3.597 4.596 -1.431) 6.009 10.745 ( -14.338 -1.328 -5.700) 15.487 10.952 ( -10.633 3.717 7.265) 13.403 11.139 ( -5.617 -2.953 -0.168) 6.348 11.474 ( -2.524 7.344 -2.969) 8.314 11.570 ( 4.068 1.092 0.280) 4.222 11.644 ( 2.070 2.961 -2.054) 4.157 12.006 ( 5.257 -1.142 -2.999) 6.159 12.164 ( -3.346 -2.881 -1.586) 4.692 12.288 ( -7.698 -2.145 2.120) 8.268 12.369 ( -5.959 3.424 0.281) 6.878 12.668 ( -13.534 1.901 -5.481) 14.725 12.847 ( -0.175 -0.450 0.266) 0.551 12.924 ( 2.067 -3.057 3.577) 5.140 13.190 ( 5.842 1.473 -0.483) 6.044 13.320 ( 5.640 0.192 -0.755) 5.694 13.483 ( -0.323 -9.796 5.028) 11.016 13.783 ( 1.470 1.441 1.048) 2.310 13.796 ( -0.095 0.588 -1.949) 2.038 14.073 ( 4.485 1.601 4.093) 6.280 14.270 ( 0.770 5.105 -0.139) 5.165 14.368 ( -4.854 2.224 -7.961) 9.586 14.532 ( -7.715 -1.528 1.793) 8.066 14.571 ( -10.085 -4.307 -0.658) 10.986 14.663 ( -0.938 -6.174 -0.668) 6.281 14.938 ( -2.491 0.291 1.683) 3.020 14.989 ( -0.011 -0.766 -1.141) 1.375 15.062 ( -0.311 3.381 -0.036) 3.396 15.174 ( -3.018 3.612 -0.856) 4.784 15.195 ( -1.532 -1.144 -1.090) 2.201 15.280 ( -0.506 -2.758 4.050) 4.926 15.650 ( 4.662 0.753 1.959) 5.112 15.667 ( -8.125 -3.053 0.737) 8.711 15.826 ( -1.760 -0.713 0.760) 2.046 15.928 ( -8.982 3.015 6.653) 11.577 16.110 ( -0.195 -2.624 -1.695) 3.130 16.433 ( -2.766 -0.075 0.323) 2.786 16.484 ( -4.669 3.000 -1.829) 5.843 16.639 ( 4.166 4.217 -0.104) 5.929 16.719 ( -2.218 0.348 -3.882) 4.485 16.847 ( 4.749 2.221 1.924) 5.584 16.904 ( -5.446 -0.544 -0.612) 5.507 16.984 ( 4.495 -0.023 -3.627) 5.776 17.132 ( 5.828 -2.685 6.722) 9.293 17.465 ( 4.068 -0.673 -2.466) 4.805 17.888 ( 4.697 4.823 3.748) 7.705 18.002 ( 14.796 -3.312 -1.531) 15.239 18.311 ( 6.468 13.718 4.169) 15.728 18.723 ( 5.232 5.366 -4.117) 8.551 18.981 ( 7.629 1.287 -16.195) 17.948 19.527 ( -3.910 -0.965 -4.686) 6.179 20.314 ( -6.169 -17.217 12.086) 21.921 ======================= Grid point 6 (6/72) ======================= q-point: (-0.15 0.15 -0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 20.202 -16.924 -0.000) 26.355 0.826 ( 22.123 -16.438 0.000) 27.561 1.290 ( 25.345 -19.526 -0.000) 31.994 1.572 ( 8.264 -7.947 -0.000) 11.465 1.883 ( 10.332 -4.201 0.000) 11.153 1.976 ( 2.436 0.507 0.000) 2.488 2.162 ( -0.800 -4.252 -0.000) 4.327 2.433 ( -1.078 1.959 0.000) 2.236 2.772 ( -3.758 0.981 -0.000) 3.884 2.872 ( -1.153 -0.514 -0.000) 1.262 2.897 ( -1.209 -6.971 -0.000) 7.075 3.230 ( 2.661 8.158 0.000) 8.581 3.418 ( 1.606 8.228 0.000) 8.383 3.515 ( -3.520 1.603 -0.000) 3.867 4.112 ( 5.214 -14.417 -0.000) 15.331 4.272 ( -2.304 0.090 -0.000) 2.305 4.560 ( -3.899 -4.740 -0.000) 6.137 5.252 ( 0.947 6.928 0.000) 6.993 5.679 ( -6.034 -7.873 -0.000) 9.919 5.891 ( 0.332 -3.783 -0.000) 3.798 6.073 ( -2.544 17.636 0.000) 17.818 6.497 ( -4.410 3.707 0.000) 5.762 6.657 ( -1.116 -0.265 -0.000) 1.147 6.702 ( -3.594 -6.566 -0.000) 7.485 6.850 ( -8.070 -6.970 -0.000) 10.664 6.978 ( 3.425 2.851 0.000) 4.456 7.144 ( 1.015 4.701 0.000) 4.809 7.216 ( -2.102 0.778 -0.000) 2.242 7.271 ( -3.016 -0.556 -0.000) 3.067 7.290 ( -4.343 -4.311 -0.000) 6.120 7.521 ( 0.956 2.159 0.000) 2.362 7.793 ( -4.623 2.323 -0.000) 5.174 7.888 ( 17.007 -2.478 0.000) 17.187 7.969 ( 4.800 5.798 0.000) 7.527 8.231 ( -3.552 -1.603 -0.000) 3.897 8.295 ( -3.513 2.392 -0.000) 4.250 8.577 ( 8.079 1.933 0.000) 8.307 8.633 ( 1.713 -1.322 -0.000) 2.164 8.735 ( 7.864 8.309 0.000) 11.441 9.019 ( 4.463 0.177 0.000) 4.466 9.183 ( -9.746 0.820 -0.000) 9.781 9.234 ( 8.318 -6.940 -0.000) 10.833 9.339 ( -4.075 -0.427 -0.000) 4.097 9.644 ( -5.866 -13.565 -0.000) 14.779 9.757 ( 13.646 6.496 0.000) 15.113 10.085 ( 5.464 -1.065 0.000) 5.567 10.136 ( -14.436 9.992 -0.000) 17.557 10.436 ( 1.689 -15.255 -0.000) 15.349 10.484 ( -3.058 -4.153 -0.000) 5.158 10.776 ( -12.783 -8.963 -0.000) 15.612 11.206 ( -1.546 2.397 0.000) 2.852 11.508 ( 0.612 -1.300 -0.000) 1.437 11.583 ( -9.710 -1.344 -0.000) 9.803 11.831 ( 7.145 4.729 0.000) 8.568 12.035 ( -10.187 -1.895 -0.000) 10.362 12.180 ( 1.835 -1.697 -0.000) 2.499 12.295 ( -19.779 3.425 -0.000) 20.074 12.418 ( 8.001 -1.356 0.000) 8.115 12.768 ( -15.131 -1.811 -0.000) 15.239 12.778 ( -0.387 5.594 0.000) 5.608 12.937 ( 1.352 -1.551 -0.000) 2.058 13.059 ( 2.129 -1.321 0.000) 2.506 13.327 ( 5.992 -1.758 0.000) 6.244 13.548 ( 1.516 8.652 0.000) 8.784 13.748 ( 2.934 3.345 0.000) 4.449 13.758 ( 6.716 -1.766 0.000) 6.945 13.951 ( 2.475 -6.827 -0.000) 7.262 14.085 ( 4.039 -6.673 -0.000) 7.800 14.547 ( -14.770 -10.586 -0.000) 18.172 14.625 ( -7.722 2.146 -0.000) 8.014 14.730 ( -2.744 3.633 0.000) 4.553 14.842 ( -6.348 11.157 0.000) 12.837 14.843 ( -4.067 0.007 -0.000) 4.067 14.987 ( 3.901 -1.457 0.000) 4.164 15.004 ( -5.943 -6.760 -0.000) 9.001 15.038 ( -6.623 -0.806 -0.000) 6.672 15.264 ( -0.793 6.052 0.000) 6.103 15.307 ( 4.211 0.421 0.000) 4.232 15.473 ( 1.880 3.426 0.000) 3.908 15.580 ( -8.123 -6.201 -0.000) 10.219 15.741 ( 2.125 2.418 0.000) 3.219 15.848 ( -1.117 0.433 -0.000) 1.198 16.174 ( 3.085 1.923 0.000) 3.635 16.405 ( -2.391 0.723 -0.000) 2.498 16.547 ( -3.121 2.937 0.000) 4.285 16.557 ( 1.155 -4.994 -0.000) 5.126 16.663 ( 3.366 -2.156 0.000) 3.997 16.754 ( -3.467 -4.100 -0.000) 5.369 16.919 ( 6.255 -3.301 0.000) 7.073 16.963 ( 7.538 3.230 0.000) 8.200 17.286 ( -5.220 5.071 0.000) 7.277 17.522 ( 6.752 -6.657 -0.000) 9.482 17.579 ( -0.938 -4.044 -0.000) 4.152 17.944 ( 5.303 -4.143 -0.000) 6.729 18.184 ( 8.974 -4.176 0.000) 9.898 18.699 ( 4.556 -0.688 0.000) 4.608 19.657 ( -0.767 7.501 0.000) 7.541 20.054 ( 7.248 12.149 0.000) 14.147 20.085 ( -4.288 9.537 0.000) 10.457 ======================= Grid point 7 (7/72) ======================= q-point: ( 0.52 -0.27 -0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -7.863 4.625 0.030) 9.122 1.680 ( -4.672 0.954 1.071) 4.887 1.761 ( -7.806 5.436 2.361) 9.801 1.894 ( 0.130 2.830 1.335) 3.132 2.009 ( -1.939 0.794 -0.709) 2.212 2.044 ( -0.612 -0.301 0.911) 1.138 2.400 ( -7.589 2.924 -5.322) 9.719 2.506 ( -0.134 -4.017 -4.950) 6.377 2.654 ( 3.061 -0.905 1.110) 3.379 2.889 ( -2.766 -0.603 3.675) 4.638 3.122 ( -4.046 -3.337 0.566) 5.275 3.205 ( 0.509 -2.504 3.195) 4.091 3.368 ( -5.335 4.141 -1.812) 6.992 3.471 ( -3.253 5.858 2.313) 7.088 4.093 ( 6.564 -1.963 -2.964) 7.464 4.753 ( 3.544 1.469 -0.269) 3.846 4.824 ( 4.846 6.573 2.617) 8.575 5.151 ( -3.868 -5.873 5.008) 8.633 5.376 ( -2.128 3.188 4.985) 6.289 5.842 ( -6.100 -7.644 0.839) 9.816 6.110 ( 7.559 2.505 0.389) 7.973 6.255 ( -1.105 -1.641 -7.815) 8.061 6.355 ( 3.831 -0.452 -4.784) 6.145 6.670 ( 0.502 -3.696 -1.618) 4.066 6.740 ( 4.391 -7.861 2.476) 9.339 6.864 ( 12.094 6.812 -3.299) 14.267 6.955 ( 2.092 0.288 4.858) 5.298 7.112 ( 0.117 -1.318 2.013) 2.409 7.368 ( -12.528 0.577 -1.353) 12.614 7.472 ( -7.559 -0.491 -2.095) 7.859 7.575 ( 0.642 7.428 -3.767) 8.354 7.687 ( -7.064 0.658 3.856) 8.075 8.013 ( -0.837 2.388 3.830) 4.591 8.096 ( -7.790 1.580 -2.458) 8.319 8.166 ( -0.205 -3.437 -0.567) 3.490 8.324 ( 1.741 2.029 -1.614) 3.123 8.534 ( 0.659 -1.571 3.139) 3.572 8.669 ( -2.491 -1.738 -0.314) 3.054 8.718 ( 0.683 -0.380 -3.496) 3.583 8.945 ( 0.544 -1.110 7.435) 7.537 9.264 ( 2.816 0.869 -0.898) 3.081 9.379 ( -4.928 0.563 4.175) 6.483 9.546 ( 5.662 2.058 -7.435) 9.570 9.643 ( -7.897 -1.723 -3.803) 8.933 9.896 ( -5.407 9.275 2.737) 11.079 9.928 ( 0.294 -3.451 1.746) 3.879 10.375 ( 1.112 3.775 0.477) 3.964 10.543 ( 5.254 -3.168 0.818) 6.190 10.560 ( 2.923 -2.713 1.012) 4.114 10.844 ( 9.292 0.324 -4.445) 10.305 10.949 ( 4.858 -1.482 1.074) 5.192 11.418 ( 8.820 -0.929 -3.521) 9.542 11.556 ( 6.416 1.764 0.072) 6.654 11.811 ( 18.662 2.082 3.497) 19.101 11.894 ( -7.763 -4.666 0.112) 9.058 12.063 ( -0.956 3.938 -0.043) 4.052 12.134 ( 3.684 -0.395 1.379) 3.954 12.309 ( 4.923 -0.947 -1.961) 5.383 12.481 ( 4.199 -5.156 3.306) 7.426 12.864 ( 2.100 -1.945 -1.425) 3.197 12.954 ( -5.499 4.753 -2.528) 7.696 13.237 ( -0.673 3.220 0.109) 3.291 13.379 ( -4.286 -0.436 3.160) 5.342 13.462 ( -4.741 1.356 -0.079) 4.932 13.752 ( -0.591 -0.805 0.513) 1.123 13.902 ( -4.712 -1.569 -1.405) 5.162 14.096 ( 10.138 -2.673 5.657) 11.913 14.259 ( 10.003 4.743 -2.842) 11.429 14.316 ( 4.498 -5.027 0.908) 6.806 14.341 ( -5.584 -0.507 -5.912) 8.148 14.549 ( 5.011 4.119 -5.441) 8.466 14.569 ( -2.776 -3.201 1.624) 4.538 14.838 ( 3.890 1.276 4.369) 5.987 14.990 ( 1.052 -2.421 0.156) 2.645 15.039 ( 5.106 0.261 0.562) 5.143 15.123 ( 2.599 0.407 -0.009) 2.630 15.157 ( 3.488 1.029 0.361) 3.655 15.325 ( -2.150 2.591 -2.713) 4.324 15.444 ( 3.543 2.009 -0.316) 4.085 15.572 ( 10.803 2.193 7.391) 13.271 15.825 ( -1.021 -0.190 -0.208) 1.060 15.885 ( -6.740 2.058 -0.525) 7.067 16.080 ( 5.540 -1.149 -5.734) 8.056 16.360 ( 3.982 -0.723 2.339) 4.675 16.471 ( -0.768 -2.040 -0.084) 2.181 16.592 ( 2.372 -0.975 2.418) 3.525 16.748 ( 5.475 0.075 -0.139) 5.478 16.887 ( -5.423 -2.700 -5.566) 8.227 17.028 ( -5.518 4.327 -2.638) 7.492 17.127 ( -5.350 -2.503 0.666) 5.944 17.206 ( -4.695 3.142 1.338) 5.806 17.438 ( 4.831 -2.144 4.420) 6.890 18.067 ( -12.941 1.945 -2.926) 13.409 18.285 ( -16.657 2.658 5.739) 17.817 18.734 ( -12.080 5.499 -0.592) 13.286 18.824 ( -2.130 -0.996 0.689) 2.451 19.022 ( -4.877 -15.935 -1.450) 16.727 19.386 ( 8.294 -10.767 5.113) 14.521 19.991 ( 12.164 13.815 -7.697) 19.952 ======================= Grid point 8 (8/72) ======================= q-point: ( 0.02 -0.27 -0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -13.486 0.000 -10.071) 16.832 1.262 ( -23.141 0.000 -8.516) 24.658 1.587 ( -8.485 0.000 -2.585) 8.870 1.877 ( -11.354 0.000 -2.909) 11.720 2.018 ( -3.965 0.000 -1.484) 4.234 2.034 ( -6.684 -0.000 1.885) 6.944 2.356 ( -16.305 0.000 -5.218) 17.119 2.466 ( -7.911 0.000 -1.614) 8.074 2.612 ( 3.880 -0.000 3.585) 5.282 2.804 ( 7.072 0.000 -3.943) 8.097 2.952 ( -3.403 0.000 -8.779) 9.415 3.307 ( 5.656 -0.000 4.016) 6.937 3.433 ( 1.475 0.000 -2.062) 2.535 3.558 ( -1.525 -0.000 3.971) 4.254 4.111 ( -10.554 -0.000 3.202) 11.030 4.240 ( 1.332 0.000 -0.387) 1.387 4.403 ( 6.969 0.000 -2.654) 7.457 5.464 ( 8.232 0.000 -10.125) 13.049 5.661 ( 3.497 0.000 -13.333) 13.784 5.818 ( -4.188 -0.000 8.315) 9.310 6.160 ( 10.957 0.000 -2.003) 11.139 6.332 ( 8.393 -0.000 7.608) 11.328 6.361 ( 14.040 -0.000 4.349) 14.698 6.442 ( 4.437 -0.000 4.113) 6.050 6.676 ( -3.374 -0.000 7.610) 8.324 6.989 ( -2.162 -0.000 4.405) 4.907 7.205 ( -5.690 0.000 -2.610) 6.260 7.281 ( -2.026 0.000 -3.830) 4.333 7.367 ( -0.542 0.000 -11.979) 11.991 7.429 ( -6.428 0.000 -4.507) 7.851 7.618 ( -3.308 0.000 -1.984) 3.857 7.820 ( 1.610 0.000 -6.896) 7.081 7.934 ( -3.621 -0.000 2.578) 4.445 8.007 ( 5.400 0.000 -2.730) 6.051 8.317 ( -14.979 -0.000 8.932) 17.440 8.542 ( -4.054 -0.000 8.346) 9.279 8.629 ( -16.423 0.000 -6.791) 17.771 8.835 ( 15.822 -0.000 5.783) 16.846 8.941 ( -3.319 0.000 -7.918) 8.586 9.046 ( 2.068 -0.000 5.572) 5.944 9.147 ( 5.653 0.000 -8.206) 9.965 9.192 ( -10.475 0.000 -0.781) 10.504 9.435 ( -17.415 0.000 -2.247) 17.559 9.507 ( 5.720 0.000 -13.458) 14.624 9.878 ( 4.087 -0.000 6.123) 7.362 9.978 ( -5.985 -0.000 4.876) 7.719 10.115 ( 15.058 -0.000 2.166) 15.213 10.184 ( 10.135 0.000 -7.294) 12.487 10.523 ( 12.523 -0.000 -0.951) 12.559 10.542 ( -14.559 -0.000 2.896) 14.844 11.149 ( 9.893 -0.000 2.177) 10.130 11.241 ( 5.869 -0.000 6.379) 8.668 11.546 ( -2.361 0.000 -3.030) 3.841 11.746 ( 11.148 -0.000 7.517) 13.446 11.860 ( 18.913 0.000 -7.427) 20.319 12.070 ( 2.120 0.000 -1.702) 2.719 12.144 ( -1.283 0.000 -1.112) 1.698 12.412 ( 11.727 -0.000 4.445) 12.541 12.575 ( -13.053 -0.000 5.356) 14.109 12.822 ( 2.097 -0.000 1.520) 2.590 12.991 ( 1.548 0.000 -6.697) 6.873 13.184 ( -6.127 0.000 -5.948) 8.539 13.449 ( -5.304 0.000 -2.280) 5.774 13.644 ( 0.844 -0.000 3.331) 3.437 13.781 ( 0.694 0.000 -1.325) 1.496 13.870 ( -9.657 -0.000 2.615) 10.005 13.961 ( 0.140 0.000 -2.438) 2.442 14.153 ( 5.932 -0.000 4.354) 7.359 14.219 ( -6.833 0.000 -5.153) 8.558 14.429 ( 9.611 -0.000 3.548) 10.245 14.655 ( 12.423 0.000 -2.461) 12.664 14.741 ( 5.789 -0.000 6.649) 8.816 14.830 ( 1.278 0.000 -0.794) 1.504 14.840 ( -0.814 0.000 -3.201) 3.303 14.974 ( 6.303 0.000 -2.169) 6.666 15.040 ( -3.012 -0.000 1.819) 3.518 15.264 ( 9.085 0.000 -3.102) 9.600 15.406 ( -4.042 0.000 -1.368) 4.267 15.442 ( 1.091 0.000 -2.988) 3.181 15.665 ( 4.714 0.000 -4.821) 6.743 15.756 ( -0.651 -0.000 4.558) 4.604 15.862 ( -0.932 -0.000 0.381) 1.007 16.355 ( -2.511 -0.000 2.769) 3.738 16.361 ( 9.564 -0.000 -0.268) 9.567 16.471 ( -2.913 0.000 -2.384) 3.764 16.502 ( 3.774 0.000 -3.432) 5.102 16.648 ( -5.207 -0.000 3.577) 6.317 16.767 ( -1.210 0.000 -3.482) 3.686 16.998 ( -4.916 0.000 -0.267) 4.923 17.082 ( 4.397 -0.000 13.568) 14.263 17.157 ( -4.525 0.000 -0.706) 4.579 17.470 ( -1.882 0.000 -4.061) 4.476 17.496 ( -4.000 0.000 -1.781) 4.379 17.939 ( 1.136 0.000 -7.445) 7.532 18.152 ( -6.787 -0.000 11.071) 12.986 18.898 ( -7.708 0.000 -5.474) 9.454 19.652 ( 1.233 -0.000 2.013) 2.361 19.815 ( -7.665 -0.000 18.588) 20.106 20.534 ( 3.009 0.000 -6.750) 7.390 ======================= Grid point 9 (9/72) ======================= q-point: (-0.31 0.31 -0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 15.247 -12.262 -0.000) 19.566 1.467 ( 11.727 -10.456 -0.000) 15.712 1.666 ( 1.509 -4.981 -0.000) 5.204 1.826 ( 8.203 0.238 0.000) 8.206 2.033 ( 4.002 0.306 0.000) 4.014 2.036 ( -1.777 -0.238 -0.000) 1.793 2.435 ( 4.170 -1.006 0.000) 4.290 2.530 ( 8.074 -3.313 0.000) 8.727 2.799 ( 1.704 -2.933 -0.000) 3.392 2.854 ( -5.084 10.695 0.000) 11.842 3.075 ( 14.356 -15.182 -0.000) 20.895 3.132 ( 1.977 -1.795 -0.000) 2.670 3.299 ( 2.715 8.154 0.000) 8.594 3.397 ( -6.293 -1.461 -0.000) 6.460 4.171 ( -6.436 1.777 -0.000) 6.677 4.497 ( 2.155 -13.625 -0.000) 13.794 4.654 ( -1.852 -8.150 -0.000) 8.358 5.183 ( 1.866 2.529 0.000) 3.143 5.467 ( -3.180 11.803 0.000) 12.223 5.963 ( -2.362 -6.815 -0.000) 7.212 5.975 ( 3.262 2.107 0.000) 3.883 6.343 ( -4.483 -1.170 -0.000) 4.633 6.511 ( -0.921 7.025 0.000) 7.085 6.656 ( -16.580 -8.470 -0.000) 18.618 6.827 ( -8.326 -5.223 -0.000) 9.829 6.914 ( 0.381 13.799 0.000) 13.804 6.991 ( 5.583 10.249 0.000) 11.671 7.181 ( -4.853 2.763 -0.000) 5.584 7.290 ( 13.497 -3.394 0.000) 13.917 7.468 ( 1.660 -7.754 -0.000) 7.930 7.548 ( 2.812 -0.667 0.000) 2.890 7.645 ( -0.540 4.740 0.000) 4.771 7.979 ( 7.125 6.206 0.000) 9.449 8.142 ( -5.942 -0.615 -0.000) 5.974 8.194 ( 7.531 -1.137 0.000) 7.617 8.241 ( 1.759 -1.165 0.000) 2.110 8.608 ( -0.723 7.236 0.000) 7.272 8.709 ( 5.200 0.504 0.000) 5.225 8.746 ( 10.830 0.310 0.000) 10.835 8.973 ( -6.728 4.406 -0.000) 8.043 9.193 ( 5.217 -4.566 -0.000) 6.933 9.321 ( 0.527 -0.970 -0.000) 1.104 9.627 ( 7.881 -10.239 -0.000) 12.920 9.635 ( -14.420 3.770 -0.000) 14.905 9.827 ( 8.707 7.927 0.000) 11.775 9.894 ( 4.161 -2.972 0.000) 5.114 10.184 ( -0.368 -13.064 -0.000) 13.069 10.464 ( -5.663 -0.971 -0.000) 5.746 10.647 ( -12.310 -3.020 -0.000) 12.675 10.799 ( 7.537 -6.616 -0.000) 10.029 11.032 ( -6.943 5.506 0.000) 8.862 11.449 ( -8.930 -4.520 -0.000) 10.008 11.521 ( -4.351 0.683 -0.000) 4.404 11.756 ( -24.348 0.290 -0.000) 24.350 11.934 ( -7.330 -4.826 -0.000) 8.776 11.941 ( 9.157 1.059 0.000) 9.218 12.180 ( -1.572 1.996 0.000) 2.541 12.354 ( -9.213 1.825 -0.000) 9.392 12.604 ( -1.381 8.314 0.000) 8.428 12.852 ( 8.821 -6.357 0.000) 10.873 12.920 ( -2.998 0.811 -0.000) 3.106 13.156 ( 3.405 -2.300 0.000) 4.109 13.417 ( 1.685 5.861 0.000) 6.098 13.432 ( 3.641 -1.175 0.000) 3.826 13.779 ( 3.801 1.514 0.000) 4.092 13.944 ( 8.565 0.197 0.000) 8.567 14.076 ( -6.777 -2.653 -0.000) 7.278 14.245 ( -12.046 3.012 -0.000) 12.417 14.285 ( 3.303 -3.746 -0.000) 4.994 14.534 ( -4.727 5.616 0.000) 7.340 14.557 ( 0.548 2.345 0.000) 2.408 14.595 ( -7.622 -2.063 -0.000) 7.897 14.762 ( -4.250 -0.522 -0.000) 4.282 14.973 ( -4.438 -4.002 -0.000) 5.975 14.999 ( -2.366 -1.243 -0.000) 2.673 15.106 ( 1.081 -2.930 -0.000) 3.124 15.109 ( -8.115 -0.072 -0.000) 8.116 15.327 ( -0.773 0.641 0.000) 1.005 15.421 ( -7.241 -0.762 -0.000) 7.281 15.467 ( 3.759 2.395 0.000) 4.457 15.832 ( 0.407 0.058 0.000) 0.411 15.853 ( 5.891 -1.770 0.000) 6.151 16.161 ( -2.915 1.310 -0.000) 3.196 16.341 ( -2.819 0.367 -0.000) 2.843 16.506 ( 1.668 0.497 0.000) 1.741 16.602 ( -3.386 0.921 -0.000) 3.509 16.729 ( -4.726 -1.557 -0.000) 4.976 16.886 ( 4.176 -9.650 -0.000) 10.515 17.043 ( 8.269 3.582 0.000) 9.011 17.100 ( 7.749 -0.144 0.000) 7.750 17.169 ( -0.390 -0.912 -0.000) 0.992 17.444 ( -8.456 2.912 -0.000) 8.943 17.925 ( 13.677 -12.411 -0.000) 18.469 18.179 ( 6.787 -3.665 0.000) 7.713 18.563 ( 12.014 -8.936 0.000) 14.972 18.803 ( 3.383 -1.252 0.000) 3.608 19.424 ( -0.118 13.415 0.000) 13.415 19.674 ( -8.260 17.141 0.000) 19.027 19.917 ( -2.913 3.821 0.000) 4.805 ======================= Grid point 10 (10/72) ======================= q-point: ( 0.19 0.31 -0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 6.705 8.794 8.418) 13.898 1.551 ( 12.754 5.289 11.209) 17.785 1.676 ( 7.654 1.569 4.888) 9.216 1.933 ( -1.874 0.112 0.133) 1.882 1.971 ( 9.092 -0.408 1.033) 9.160 2.086 ( 5.586 0.043 2.843) 6.268 2.341 ( 5.242 -1.872 -0.201) 5.570 2.574 ( -1.377 0.201 -0.685) 1.551 2.659 ( 6.859 6.073 4.346) 10.140 2.871 ( -9.192 -1.061 0.346) 9.260 3.132 ( 2.649 1.852 1.741) 3.671 3.265 ( 3.284 0.615 -0.203) 3.347 3.347 ( -1.380 -4.628 -5.647) 7.431 3.430 ( 0.872 -3.835 5.475) 6.741 4.094 ( 1.823 2.351 -4.089) 5.057 4.283 ( 2.788 6.296 0.738) 6.926 4.574 ( -4.176 7.889 4.917) 10.191 5.491 ( 0.879 0.677 -10.453) 10.511 5.673 ( -3.631 -6.116 0.261) 7.117 5.880 ( -4.796 2.833 4.175) 6.961 6.067 ( -4.612 -9.149 -0.670) 10.267 6.185 ( -7.785 2.931 -4.374) 9.399 6.322 ( -3.756 5.982 -4.333) 8.287 6.386 ( -6.141 -3.417 1.826) 7.262 6.654 ( -0.931 2.565 0.541) 2.782 6.925 ( 3.138 0.259 -3.143) 4.449 7.125 ( 2.946 -7.903 0.114) 8.434 7.314 ( 2.888 -2.122 0.998) 3.720 7.455 ( 0.400 0.508 -0.656) 0.921 7.578 ( 7.227 -5.694 4.424) 10.209 7.640 ( 9.065 5.443 0.980) 10.619 7.841 ( -3.739 -8.229 5.217) 10.436 8.029 ( 2.553 6.780 2.994) 7.839 8.108 ( -2.103 -0.556 2.420) 3.254 8.169 ( 8.310 1.398 -5.424) 10.021 8.378 ( 0.603 -8.328 1.101) 8.422 8.604 ( 8.481 -10.122 2.827) 13.505 8.731 ( -11.068 1.453 -7.531) 13.466 8.764 ( 3.508 -5.440 -0.041) 6.473 9.053 ( 11.043 1.821 -1.412) 11.281 9.222 ( -8.090 -2.765 11.017) 13.945 9.444 ( -0.437 -2.821 0.604) 2.918 9.628 ( -2.004 3.840 3.658) 5.670 9.675 ( 3.751 -1.350 -1.692) 4.331 9.734 ( 2.039 5.680 3.334) 6.895 9.894 ( 2.733 3.658 -0.118) 4.568 10.120 ( -5.383 0.293 1.354) 5.558 10.410 ( -11.503 8.562 -0.287) 14.343 10.479 ( -1.058 4.561 -6.808) 8.262 10.605 ( -12.561 3.706 3.776) 13.629 11.048 ( -10.117 -2.818 -3.016) 10.927 11.238 ( -1.063 5.143 -1.360) 5.425 11.573 ( -3.444 -1.688 1.286) 4.045 11.699 ( -1.135 4.168 -1.192) 4.481 11.958 ( -13.873 -1.599 3.087) 14.301 12.066 ( -2.145 -1.217 0.411) 2.500 12.194 ( -0.132 0.928 2.005) 2.213 12.304 ( -10.033 -0.077 -4.496) 10.995 12.490 ( 8.985 0.931 -5.985) 10.836 12.802 ( -1.578 1.790 -2.413) 3.393 13.056 ( -1.461 -4.956 5.763) 7.740 13.293 ( 5.374 -2.156 5.700) 8.125 13.471 ( 6.071 -1.591 1.588) 6.474 13.582 ( -0.375 -2.565 -1.114) 2.822 13.774 ( 0.570 2.020 -2.782) 3.485 13.802 ( 1.262 -1.955 0.139) 2.331 14.020 ( 2.534 5.757 -1.043) 6.375 14.150 ( -4.435 5.475 -5.896) 9.187 14.312 ( 1.250 1.248 1.959) 2.637 14.410 ( -11.161 -5.907 6.962) 14.420 14.539 ( -4.500 -5.262 -1.946) 7.192 14.743 ( -2.877 -1.978 -1.135) 3.672 14.851 ( -3.697 2.249 0.716) 4.386 14.910 ( -3.094 3.532 0.601) 4.734 14.999 ( 0.005 -0.359 -1.824) 1.859 15.025 ( -2.409 2.819 2.033) 4.229 15.188 ( -5.903 -7.820 1.069) 9.856 15.401 ( 3.621 -2.039 1.152) 4.312 15.578 ( -5.513 0.367 4.509) 7.132 15.650 ( -8.470 -1.862 0.096) 8.673 15.706 ( 3.067 2.861 -1.735) 4.539 15.852 ( -2.032 -0.133 1.040) 2.287 16.215 ( 2.427 -4.745 0.116) 5.332 16.427 ( -0.972 -3.926 -2.294) 4.650 16.435 ( -1.849 0.090 0.738) 1.993 16.603 ( 1.938 3.728 -2.886) 5.097 16.647 ( 0.393 3.359 3.461) 4.840 16.791 ( -4.432 -3.208 -2.634) 6.073 16.861 ( 0.938 5.519 -2.993) 6.348 17.073 ( 6.290 1.396 -0.095) 6.444 17.249 ( 2.981 3.476 3.815) 5.960 17.487 ( -0.659 -0.998 0.917) 1.507 17.756 ( 5.024 13.819 -0.918) 14.732 18.043 ( 1.327 10.330 -3.045) 10.851 18.172 ( 4.612 7.596 4.221) 9.838 18.914 ( 11.949 -2.071 -3.181) 12.538 19.331 ( 17.359 -7.398 -14.256) 23.650 19.595 ( -2.563 -7.282 -0.932) 7.776 20.516 ( -7.097 -13.733 8.762) 17.769 ======================= Grid point 11 (11/72) ======================= q-point: (-0.14 -0.11 -0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -18.569 -12.538 -11.088) 25.000 0.980 ( -16.666 -12.499 -16.507) 26.580 1.488 ( -4.588 -9.218 -8.441) 13.314 1.658 ( -14.006 -9.582 -12.847) 21.284 1.841 ( -9.771 -2.808 2.173) 10.397 2.030 ( -0.694 -1.368 -0.012) 1.534 2.114 ( -9.952 -5.289 -5.515) 12.547 2.440 ( 2.743 2.688 4.061) 5.589 2.721 ( 3.047 -1.935 4.097) 5.460 2.933 ( 2.953 -0.198 -6.102) 6.782 2.983 ( 1.443 -2.857 -5.812) 6.635 3.217 ( -4.455 7.298 1.316) 8.651 3.403 ( -0.614 7.161 1.431) 7.328 3.493 ( 3.442 1.548 2.062) 4.301 4.092 ( -4.273 -13.576 1.860) 14.353 4.269 ( 1.550 0.132 0.285) 1.581 4.585 ( 3.725 -5.334 -2.188) 6.864 5.468 ( 3.924 9.850 -10.821) 15.150 5.794 ( 4.896 1.806 -2.892) 5.966 5.884 ( 3.522 -5.734 -4.328) 8.001 6.110 ( 2.564 17.973 -3.263) 18.446 6.441 ( 1.873 5.399 7.744) 9.624 6.574 ( 8.087 -1.037 4.630) 9.377 6.631 ( 6.900 -5.817 8.140) 12.153 6.713 ( 3.851 -7.307 6.669) 10.616 6.942 ( -3.651 0.051 3.655) 5.166 7.087 ( 1.999 0.235 0.062) 2.014 7.240 ( -3.070 5.061 0.060) 5.920 7.307 ( -3.315 -2.176 -2.883) 4.903 7.428 ( 1.097 -0.416 -8.188) 8.272 7.498 ( -3.499 4.164 2.771) 6.104 7.778 ( -7.430 3.428 -1.226) 8.275 7.900 ( -5.364 -3.074 -2.454) 6.652 8.008 ( -2.889 5.401 -1.374) 6.278 8.208 ( 2.316 -2.296 0.355) 3.281 8.330 ( 1.751 5.445 -2.484) 6.236 8.500 ( -1.229 -1.601 6.481) 6.788 8.657 ( -8.415 4.618 -2.096) 9.825 8.796 ( -9.149 3.899 -3.252) 10.463 9.062 ( 7.212 5.283 -1.318) 9.037 9.210 ( -6.266 -2.038 -2.175) 6.939 9.243 ( 10.424 -4.058 -2.614) 11.488 9.576 ( -1.766 -4.707 -4.132) 6.508 9.637 ( 6.902 2.447 -13.660) 15.499 9.776 ( -4.287 2.136 -0.226) 4.795 9.979 ( 8.616 -1.117 6.193) 10.669 10.155 ( 0.805 4.081 -0.589) 4.201 10.433 ( -6.981 -7.628 -1.953) 10.523 10.631 ( 13.273 -9.509 -8.704) 18.502 10.765 ( 10.232 -5.694 -0.329) 11.714 11.202 ( 2.283 2.509 0.389) 3.414 11.472 ( 8.756 -3.609 9.096) 13.131 11.513 ( -1.291 -1.302 -0.704) 1.964 11.750 ( -6.191 2.002 6.978) 9.541 12.055 ( 2.959 -0.207 -0.279) 2.979 12.190 ( 2.315 -2.367 -1.022) 3.465 12.315 ( 15.262 3.632 -0.452) 15.695 12.329 ( -6.998 -2.279 3.608) 8.196 12.728 ( 15.655 -1.544 3.865) 16.199 12.850 ( 0.569 2.700 -3.015) 4.087 12.928 ( -3.756 0.592 -0.666) 3.860 13.118 ( -1.627 -1.100 -4.628) 5.027 13.314 ( -8.255 -1.105 0.335) 8.335 13.600 ( 1.159 8.203 -2.668) 8.703 13.739 ( -4.354 -0.780 -0.089) 4.424 13.795 ( 1.203 0.017 -0.398) 1.267 13.970 ( -2.319 -2.077 -2.592) 4.051 14.138 ( -2.950 -2.934 -4.560) 6.173 14.470 ( 10.024 -7.839 5.883) 14.019 14.588 ( 9.270 3.244 1.909) 10.005 14.761 ( 6.720 7.271 5.197) 11.182 14.764 ( 3.700 4.031 -1.609) 5.703 14.894 ( 3.579 0.544 -2.270) 4.273 14.991 ( -1.667 -0.994 -0.068) 1.942 15.004 ( 6.500 -4.823 0.550) 8.112 15.055 ( 5.527 -1.618 -2.619) 6.327 15.266 ( -2.747 1.778 2.381) 4.047 15.306 ( -0.335 5.948 -3.200) 6.763 15.593 ( -0.732 -2.025 -4.857) 5.313 15.644 ( 7.150 3.382 -8.543) 11.642 15.740 ( 3.199 -1.139 -1.354) 3.655 15.842 ( 0.122 0.711 0.366) 0.809 16.169 ( -3.087 2.624 0.320) 4.064 16.418 ( 1.864 0.685 -1.000) 2.223 16.529 ( 2.157 2.063 2.176) 3.694 16.575 ( -0.140 -2.308 -0.997) 2.518 16.666 ( -1.060 -4.972 -0.611) 5.120 16.752 ( 0.967 -2.807 -0.402) 2.996 16.907 ( -5.461 -1.632 0.530) 5.724 17.029 ( -6.935 0.858 -5.524) 8.907 17.183 ( 6.029 4.013 9.062) 11.601 17.470 ( -2.571 -3.774 0.250) 4.573 17.687 ( -3.480 -10.498 -3.390) 11.568 17.977 ( -4.393 -2.070 -2.946) 5.680 18.088 ( -6.716 -6.491 6.288) 11.260 18.722 ( -8.661 -1.001 0.268) 8.723 19.370 ( -22.303 -3.747 34.020) 40.851 19.659 ( 2.290 5.587 0.380) 6.050 20.436 ( 4.947 15.468 -12.049) 20.222 ======================= Grid point 12 (12/72) ======================= q-point: ( 0.36 -0.11 -0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -12.424 16.845 2.403) 21.069 1.268 ( -13.182 14.356 9.527) 21.695 1.633 ( -1.920 2.241 -0.755) 3.046 1.820 ( -1.685 7.221 5.974) 9.522 1.925 ( -1.803 2.042 0.955) 2.887 2.041 ( -0.495 -0.419 -3.309) 3.372 2.227 ( -10.704 3.897 3.322) 11.866 2.449 ( -3.057 3.917 2.290) 5.471 2.782 ( -0.849 4.179 -1.101) 4.404 2.900 ( 3.678 -6.522 -1.869) 7.718 3.012 ( -2.901 1.328 7.636) 8.275 3.087 ( -4.752 -2.492 1.154) 5.488 3.289 ( 0.567 -2.876 1.012) 3.101 3.480 ( 3.289 -0.052 -2.232) 3.975 4.237 ( 4.111 -0.296 -3.245) 5.246 4.468 ( -1.186 19.269 -0.594) 19.315 4.726 ( 0.898 7.338 3.970) 8.391 5.294 ( 1.158 -4.956 11.298) 12.391 5.571 ( 3.128 -22.051 3.170) 22.496 5.863 ( -3.657 -0.496 -5.610) 6.715 6.068 ( 2.482 7.739 6.355) 10.317 6.307 ( 0.514 -6.252 -8.374) 10.463 6.559 ( 11.210 -2.880 -4.486) 12.413 6.759 ( -1.908 -1.168 -8.158) 8.459 6.883 ( 7.650 12.529 -4.651) 15.399 6.923 ( -1.283 -2.609 0.574) 2.964 7.049 ( 8.267 -0.063 0.934) 8.320 7.129 ( -2.604 -5.073 0.741) 5.750 7.290 ( 1.510 -4.314 4.166) 6.184 7.423 ( -5.345 -2.744 -5.560) 8.186 7.454 ( -3.924 3.309 0.766) 5.190 7.649 ( -3.430 -10.241 1.089) 10.855 7.824 ( -17.419 -5.524 0.660) 18.286 7.923 ( -5.391 -1.740 4.208) 7.057 8.261 ( 5.950 -1.230 -0.713) 6.117 8.280 ( 3.674 5.234 -0.926) 6.462 8.537 ( -0.378 0.584 -3.351) 3.423 8.647 ( -2.893 1.752 1.420) 3.668 8.761 ( -1.033 1.321 5.983) 6.213 8.978 ( -1.503 -2.358 -2.049) 3.466 9.214 ( -4.420 -2.841 5.481) 7.593 9.353 ( 7.981 5.099 0.872) 9.511 9.543 ( -11.653 -7.742 -3.367) 14.390 9.600 ( -2.939 4.815 11.160) 12.505 9.754 ( 4.181 -1.483 -7.250) 8.500 9.999 ( 6.554 -3.051 3.426) 8.000 10.206 ( 2.376 10.605 1.118) 10.925 10.551 ( -5.914 1.678 3.812) 7.233 10.811 ( 7.239 9.382 5.320) 12.989 10.855 ( 14.541 0.936 -4.215) 15.169 11.142 ( 4.537 -2.713 -0.153) 5.288 11.540 ( 1.646 2.107 -1.922) 3.293 11.566 ( -1.824 3.314 -2.043) 4.299 11.727 ( -0.054 0.054 -4.950) 4.950 12.065 ( 1.611 -0.149 -2.626) 3.085 12.193 ( 3.078 -3.124 -0.343) 4.399 12.221 ( 9.502 -2.834 3.849) 10.637 12.391 ( 0.608 2.936 -2.905) 4.175 12.728 ( 8.497 -4.454 2.515) 9.918 12.805 ( 5.192 2.491 -0.321) 5.768 12.922 ( -0.592 -0.380 -1.814) 1.946 13.159 ( -1.153 2.715 3.697) 4.729 13.336 ( -6.758 0.808 -1.068) 6.889 13.396 ( -2.916 -9.187 2.934) 10.075 13.733 ( -2.073 -1.135 3.923) 4.580 13.797 ( -4.228 0.847 0.813) 4.388 14.069 ( -4.049 5.933 -3.235) 7.878 14.264 ( -1.457 7.246 1.365) 7.516 14.474 ( 10.184 -3.642 0.641) 10.835 14.535 ( 5.641 -4.946 -6.020) 9.619 14.620 ( 7.332 -5.369 -1.590) 9.226 14.694 ( 2.669 -2.060 -3.550) 4.896 14.887 ( 3.205 0.231 3.035) 4.420 14.999 ( -1.431 -0.083 0.039) 1.434 15.063 ( 2.424 3.057 -0.329) 3.916 15.166 ( 5.140 2.629 2.125) 6.152 15.212 ( -1.135 -2.704 2.238) 3.688 15.258 ( 0.896 2.383 -4.860) 5.487 15.540 ( 4.379 -0.797 6.812) 8.137 15.698 ( -5.190 1.811 -1.615) 5.729 15.771 ( 14.803 3.009 7.161) 16.717 15.825 ( 0.294 -0.764 -0.303) 0.873 16.170 ( 0.125 0.733 -3.030) 3.120 16.421 ( 3.261 0.548 0.800) 3.403 16.502 ( 2.610 0.113 -0.107) 2.615 16.648 ( -0.683 3.671 -0.587) 3.780 16.777 ( -4.504 4.624 0.223) 6.458 16.810 ( 0.083 1.755 -0.853) 1.953 16.886 ( 0.111 -3.007 1.530) 3.376 17.025 ( -6.470 1.033 4.112) 7.735 17.100 ( 0.767 -3.102 -6.828) 7.539 17.512 ( -4.230 -0.301 -2.156) 4.757 17.763 ( -9.829 0.511 8.094) 12.743 18.000 ( -11.245 -0.069 1.099) 11.299 18.282 ( -9.332 11.003 -1.047) 14.465 18.754 ( -3.709 2.323 0.361) 4.391 19.281 ( -5.408 -13.931 -10.433) 18.225 19.667 ( 5.290 4.022 -10.095) 12.086 20.119 ( 6.200 -10.655 6.922) 14.138 ======================= Grid point 13 (13/72) ======================= q-point: ( 0.04 0.46 -0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 1.146 -0.000 3.534) 3.715 1.739 ( 1.691 -0.000 0.897) 1.915 1.775 ( 10.335 -0.000 8.137) 13.154 1.914 ( -2.504 0.000 -4.473) 5.126 2.125 ( 3.037 0.000 -0.470) 3.074 2.253 ( 10.379 -0.000 4.356) 11.256 2.498 ( 6.958 -0.000 1.787) 7.183 2.517 ( -0.150 0.000 -1.676) 1.683 2.642 ( -11.257 0.000 -0.562) 11.271 2.682 ( 0.161 -0.000 1.967) 1.973 3.068 ( -4.899 0.000 -3.752) 6.171 3.349 ( 5.290 -0.000 5.327) 7.508 3.414 ( 1.190 0.000 -2.669) 2.923 3.519 ( -0.284 -0.000 0.512) 0.585 4.178 ( 5.938 0.000 -4.873) 7.681 4.237 ( 0.116 -0.000 0.095) 0.150 4.368 ( -5.078 -0.000 5.010) 7.133 5.519 ( 2.065 0.000 -11.007) 11.199 5.698 ( -3.399 -0.000 9.568) 10.154 5.734 ( -1.945 -0.000 1.199) 2.285 6.003 ( -4.127 0.000 -2.533) 4.843 6.090 ( -4.494 0.000 -0.779) 4.562 6.208 ( 2.099 -0.000 -0.169) 2.106 6.322 ( -3.867 0.000 -0.808) 3.950 6.637 ( 0.359 -0.000 0.640) 0.734 6.959 ( 0.943 0.000 -1.293) 1.600 7.260 ( -1.094 -0.000 1.043) 1.511 7.377 ( 3.656 0.000 -1.955) 4.147 7.588 ( 2.684 -0.000 2.192) 3.465 7.597 ( 3.257 0.000 -1.069) 3.428 7.776 ( 2.770 -0.000 4.763) 5.510 7.810 ( -2.794 -0.000 0.760) 2.896 7.964 ( -4.531 -0.000 2.670) 5.259 8.103 ( 5.716 -0.000 5.411) 7.871 8.314 ( -1.695 0.000 -5.552) 5.805 8.480 ( 0.229 0.000 -6.861) 6.864 8.533 ( 2.441 -0.000 0.288) 2.458 8.776 ( -4.672 0.000 -2.796) 5.444 9.015 ( 7.559 -0.000 3.006) 8.135 9.110 ( -3.457 -0.000 7.249) 8.031 9.357 ( 5.247 -0.000 2.642) 5.875 9.412 ( 11.496 -0.000 -1.097) 11.548 9.492 ( -4.111 -0.000 1.068) 4.247 9.628 ( -0.033 0.000 -3.456) 3.456 9.758 ( -17.275 0.000 0.467) 17.281 9.932 ( 3.547 -0.000 4.444) 5.686 9.959 ( 0.315 0.000 -1.097) 1.141 10.236 ( 6.508 -0.000 -0.413) 6.521 10.298 ( -3.838 -0.000 3.026) 4.888 10.617 ( 11.477 0.000 -7.162) 13.528 10.764 ( -20.334 0.000 -3.627) 20.655 11.219 ( 3.398 -0.000 0.298) 3.411 11.395 ( -10.915 0.000 -1.084) 10.968 11.641 ( -0.684 -0.000 2.502) 2.594 11.685 ( -10.999 -0.000 3.629) 11.582 12.111 ( 2.223 -0.000 0.160) 2.228 12.176 ( -0.298 0.000 -1.649) 1.675 12.206 ( -0.151 0.000 -0.808) 0.822 12.679 ( 6.162 0.000 -2.635) 6.701 12.762 ( -0.564 0.000 -1.013) 1.160 13.041 ( -3.433 -0.000 2.851) 4.462 13.454 ( 4.949 -0.000 6.383) 8.077 13.549 ( -1.696 0.000 -3.392) 3.792 13.567 ( 1.308 -0.000 1.578) 2.050 13.785 ( 0.760 0.000 -1.754) 1.912 13.935 ( 0.238 0.000 -0.488) 0.543 13.948 ( 1.189 0.000 -3.147) 3.365 14.063 ( 4.846 0.000 -0.957) 4.939 14.253 ( -4.894 -0.000 1.641) 5.162 14.439 ( 4.172 -0.000 3.819) 5.656 14.460 ( -9.659 -0.000 1.483) 9.772 14.587 ( -0.520 0.000 -1.377) 1.472 14.816 ( -4.717 0.000 -1.849) 5.066 14.856 ( -0.021 0.000 -1.555) 1.555 14.976 ( 1.523 -0.000 2.922) 3.295 15.007 ( 0.049 0.000 -1.704) 1.705 15.167 ( -6.762 -0.000 2.441) 7.189 15.466 ( -1.018 -0.000 0.530) 1.148 15.490 ( 0.655 -0.000 0.615) 0.898 15.578 ( -2.012 0.000 -1.078) 2.282 15.725 ( 1.724 0.000 -0.652) 1.843 15.842 ( -0.055 0.000 -1.025) 1.026 16.240 ( -3.935 0.000 0.368) 3.952 16.346 ( 2.175 0.000 -2.126) 3.041 16.469 ( -1.896 0.000 -0.348) 1.928 16.649 ( 4.095 -0.000 6.598) 7.765 16.702 ( 3.690 0.000 -0.619) 3.741 16.746 ( -4.271 0.000 -7.877) 8.960 16.834 ( -1.722 -0.000 2.781) 3.270 17.053 ( 1.432 0.000 -0.519) 1.524 17.238 ( 2.368 -0.000 -0.035) 2.368 17.578 ( 1.150 -0.000 0.822) 1.414 17.579 ( 0.656 -0.000 2.106) 2.206 18.023 ( 3.491 0.000 -8.777) 9.446 18.105 ( -1.038 -0.000 8.227) 8.292 19.095 ( 4.218 -0.000 0.137) 4.220 19.639 ( 0.037 0.000 -4.932) 4.932 19.666 ( 4.940 0.000 -2.034) 5.342 20.570 ( -2.975 -0.000 3.151) 4.333 ======================= Grid point 14 (14/72) ======================= q-point: (-0.46 0.46 -0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 1.354 -2.087 -0.000) 2.488 1.737 ( 2.153 0.836 0.000) 2.310 1.849 ( 1.876 -7.308 -0.000) 7.545 1.918 ( 2.975 0.928 0.000) 3.116 1.988 ( -0.245 1.090 0.000) 1.117 2.083 ( 1.284 0.181 0.000) 1.297 2.575 ( -0.182 2.915 0.000) 2.921 2.597 ( -1.339 -1.425 -0.000) 1.955 2.611 ( 3.816 -1.440 0.000) 4.078 2.894 ( 2.893 0.217 0.000) 2.901 3.149 ( -0.365 3.632 0.000) 3.650 3.201 ( 1.896 1.545 0.000) 2.446 3.356 ( -3.282 -2.856 -0.000) 4.351 3.610 ( 7.425 -3.452 0.000) 8.188 4.010 ( -3.847 1.102 -0.000) 4.001 4.680 ( -3.586 -4.595 -0.000) 5.829 4.705 ( -1.396 0.816 -0.000) 1.617 5.175 ( 2.944 2.365 0.000) 3.777 5.375 ( 1.837 -1.394 -0.000) 2.306 5.951 ( 4.738 3.768 0.000) 6.053 5.960 ( -5.105 0.255 -0.000) 5.112 6.380 ( -0.437 -1.364 -0.000) 1.432 6.411 ( 2.648 5.037 0.000) 5.691 6.518 ( -10.370 -5.580 -0.000) 11.776 6.691 ( 2.954 5.550 0.000) 6.287 6.846 ( -1.744 -3.255 -0.000) 3.692 6.892 ( 0.530 -0.872 -0.000) 1.020 7.023 ( -1.554 2.530 0.000) 2.969 7.549 ( -0.230 -0.271 -0.000) 0.355 7.574 ( 5.273 7.155 0.000) 8.888 7.654 ( -2.507 -7.113 -0.000) 7.542 7.751 ( 13.135 -8.041 0.000) 15.401 8.002 ( 2.215 0.399 0.000) 2.251 8.080 ( -5.039 -3.660 -0.000) 6.228 8.172 ( -8.934 4.567 -0.000) 10.034 8.238 ( -2.971 -2.007 -0.000) 3.585 8.478 ( 0.042 2.762 0.000) 2.763 8.714 ( 1.573 3.547 0.000) 3.880 8.834 ( 2.175 0.885 0.000) 2.348 8.971 ( 11.636 1.514 0.000) 11.734 9.320 ( -0.931 -2.621 -0.000) 2.781 9.359 ( -0.585 -0.043 -0.000) 0.586 9.593 ( 8.089 -3.652 0.000) 8.875 9.667 ( -12.539 -3.362 -0.000) 12.982 9.823 ( 1.563 4.009 0.000) 4.303 10.104 ( 9.020 -2.713 0.000) 9.419 10.273 ( -9.513 1.632 -0.000) 9.652 10.485 ( -4.404 1.476 -0.000) 4.645 10.561 ( 7.290 -6.338 -0.000) 9.660 10.815 ( -0.628 4.685 0.000) 4.727 10.921 ( 7.105 8.112 0.000) 10.784 11.247 ( -21.921 -6.356 -0.000) 22.824 11.410 ( -4.186 3.265 0.000) 5.309 11.419 ( -3.969 -2.685 -0.000) 4.792 12.017 ( -2.202 -4.218 -0.000) 4.759 12.045 ( 0.977 5.927 0.000) 6.007 12.086 ( 2.711 -2.618 -0.000) 3.769 12.244 ( -3.131 -1.382 -0.000) 3.423 12.447 ( 1.439 3.514 0.000) 3.797 12.841 ( -1.539 1.110 -0.000) 1.898 13.078 ( 2.534 -2.081 -0.000) 3.279 13.252 ( 0.371 -2.228 -0.000) 2.259 13.381 ( 0.907 0.481 0.000) 1.027 13.573 ( 6.799 -1.412 0.000) 6.944 13.788 ( 0.739 0.802 0.000) 1.091 13.832 ( -7.046 3.017 -0.000) 7.664 13.964 ( -2.363 2.072 0.000) 3.143 14.181 ( 0.837 -3.438 -0.000) 3.538 14.270 ( -0.245 2.455 0.000) 2.468 14.441 ( -8.774 -0.551 -0.000) 8.792 14.506 ( 1.569 -1.370 -0.000) 2.083 14.670 ( 9.773 1.336 0.000) 9.864 14.707 ( -2.185 -0.360 -0.000) 2.214 14.942 ( -1.685 0.782 -0.000) 1.858 14.946 ( -11.748 -3.127 -0.000) 12.157 14.982 ( -0.855 0.461 -0.000) 0.971 15.166 ( 1.278 0.572 0.000) 1.400 15.287 ( -2.748 -2.296 -0.000) 3.581 15.374 ( -1.323 -0.857 -0.000) 1.576 15.522 ( 3.465 0.207 0.000) 3.471 15.855 ( 0.905 -0.037 0.000) 0.906 15.965 ( 2.562 1.348 0.000) 2.895 16.062 ( -3.365 -1.604 -0.000) 3.727 16.277 ( -1.287 0.803 -0.000) 1.517 16.514 ( -1.190 0.387 -0.000) 1.252 16.544 ( 4.201 1.491 0.000) 4.458 16.648 ( -5.060 -0.481 -0.000) 5.083 17.106 ( -0.862 -0.728 -0.000) 1.128 17.125 ( 5.725 2.809 0.000) 6.377 17.159 ( 2.568 0.905 0.000) 2.723 17.201 ( -1.873 -2.471 -0.000) 3.101 17.304 ( -0.777 -0.881 -0.000) 1.175 18.312 ( 4.244 2.370 0.000) 4.861 18.460 ( 8.680 -7.741 -0.000) 11.630 18.856 ( 2.321 3.503 0.000) 4.203 18.927 ( 5.403 -5.035 -0.000) 7.385 19.139 ( 3.935 12.317 0.000) 12.931 19.180 ( -6.184 5.482 0.000) 8.264 19.848 ( -7.850 -8.745 -0.000) 11.751 ======================= Grid point 15 (15/72) ======================= q-point: ( 0.21 0.04 -0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 0.000 14.145 18.536) 23.317 0.778 ( 0.000 13.741 22.665) 26.505 1.382 ( 0.000 28.620 33.475) 44.042 1.522 ( 0.000 7.212 0.747) 7.250 1.727 ( 0.000 2.189 -2.825) 3.574 2.015 ( 0.000 0.435 5.515) 5.532 2.050 ( 0.000 2.988 -4.387) 5.308 2.482 ( -0.000 -4.700 -6.456) 7.985 2.756 ( -0.000 1.181 -4.724) 4.870 2.969 ( 0.000 -0.663 9.018) 9.042 3.002 ( 0.000 1.880 5.392) 5.710 3.158 ( -0.000 -6.948 -3.704) 7.874 3.394 ( -0.000 -7.516 -0.364) 7.525 3.529 ( -0.000 -0.849 -2.159) 2.320 4.048 ( 0.000 16.624 -1.054) 16.657 4.287 ( -0.000 -0.646 -0.891) 1.100 4.625 ( 0.000 4.212 1.795) 4.578 5.515 ( -0.000 -10.172 7.802) 12.820 5.853 ( -0.000 -7.325 -0.337) 7.333 5.940 ( 0.000 3.539 9.811) 10.430 6.125 ( -0.000 -21.720 2.948) 21.919 6.479 ( -0.000 -7.081 -8.019) 10.698 6.575 ( 0.000 2.636 -1.776) 3.178 6.686 ( 0.000 7.859 -2.694) 8.308 6.889 ( -0.000 5.199 -9.968) 11.242 6.971 ( -0.000 -3.020 -8.009) 8.559 6.992 ( 0.000 6.917 2.818) 7.469 7.218 ( -0.000 -2.837 -3.236) 4.303 7.304 ( 0.000 0.510 -0.903) 1.037 7.448 ( -0.000 -4.443 -6.543) 7.909 7.459 ( -0.000 1.387 -3.203) 3.490 7.590 ( 0.000 -3.959 11.877) 12.519 7.879 ( 0.000 -2.118 4.117) 4.630 8.012 ( -0.000 -9.733 2.502) 10.049 8.237 ( 0.000 3.160 -1.572) 3.529 8.433 ( 0.000 8.309 1.414) 8.428 8.446 ( -0.000 -2.822 -0.055) 2.822 8.562 ( -0.000 -6.531 -3.854) 7.584 8.637 ( 0.000 1.097 1.620) 1.956 9.088 ( -0.000 -4.574 1.684) 4.874 9.256 ( -0.000 -1.411 -0.253) 1.433 9.366 ( -0.000 0.462 -3.870) 3.897 9.557 ( -0.000 -6.417 5.714) 8.592 9.672 ( 0.000 -12.302 23.972) 26.944 9.759 ( -0.000 -0.169 -0.630) 0.652 10.072 ( 0.000 3.551 10.338) 10.930 10.212 ( 0.000 12.547 -9.839) 15.945 10.313 ( -0.000 -7.193 0.723) 7.229 10.756 ( 0.000 3.679 14.645) 15.100 11.020 ( 0.000 8.374 -6.313) 10.487 11.218 ( -0.000 -1.020 0.182) 1.036 11.430 ( -0.000 -1.085 -5.951) 6.049 11.502 ( 0.000 1.426 0.092) 1.429 11.789 ( -0.000 4.462 -9.096) 10.131 11.962 ( -0.000 -0.384 -5.121) 5.135 12.236 ( 0.000 5.831 -5.590) 8.078 12.260 ( 0.000 0.505 6.935) 6.953 12.522 ( -0.000 -5.649 0.072) 5.649 12.812 ( 0.000 0.207 2.239) 2.248 12.888 ( -0.000 0.400 -2.241) 2.277 13.012 ( 0.000 1.216 -2.134) 2.456 13.057 ( -0.000 -0.687 -2.617) 2.706 13.166 ( 0.000 3.524 4.563) 5.765 13.611 ( -0.000 -8.647 2.223) 8.929 13.699 ( 0.000 1.397 1.523) 2.066 13.819 ( -0.000 -0.177 -0.204) 0.270 13.953 ( 0.000 -2.270 6.056) 6.468 14.115 ( 0.000 -1.373 6.397) 6.543 14.583 ( -0.000 0.183 -7.576) 7.578 14.691 ( -0.000 -0.969 -2.035) 2.254 14.786 ( -0.000 -2.912 -0.812) 3.023 14.860 ( -0.000 -8.009 -3.898) 8.907 14.923 ( 0.000 0.584 1.665) 1.764 15.012 ( 0.000 0.478 0.276) 0.552 15.081 ( -0.000 1.121 -5.549) 5.661 15.171 ( -0.000 0.178 -0.956) 0.972 15.235 ( -0.000 -0.831 -0.007) 0.831 15.274 ( -0.000 -10.759 11.682) 15.882 15.522 ( 0.000 1.369 0.176) 1.380 15.696 ( 0.000 -3.290 15.132) 15.486 15.844 ( -0.000 -0.963 -1.621) 1.885 16.019 ( 0.000 4.351 0.395) 4.369 16.031 ( 0.000 0.517 1.716) 1.792 16.450 ( 0.000 0.798 0.764) 1.105 16.537 ( 0.000 1.496 -2.162) 2.630 16.608 ( -0.000 -3.690 0.059) 3.691 16.630 ( 0.000 3.077 4.190) 5.199 16.820 ( 0.000 2.550 -2.135) 3.326 16.821 ( 0.000 4.697 -1.703) 4.997 16.937 ( 0.000 -0.157 4.999) 5.001 17.310 ( -0.000 -3.891 -6.814) 7.847 17.424 ( 0.000 2.112 1.525) 2.605 17.459 ( 0.000 0.492 6.085) 6.105 17.966 ( 0.000 -0.475 5.469) 5.490 18.003 ( 0.000 5.703 -6.054) 8.317 18.597 ( 0.000 13.793 -10.257) 17.189 19.072 ( 0.000 24.524 -32.123) 40.415 19.684 ( -0.000 -4.462 -0.907) 4.553 20.493 ( -0.000 -16.059 11.849) 19.958 ======================= Grid point 16 (16/72) ======================= q-point: (-0.29 0.04 -0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -0.000 -20.952 -2.164) 21.064 1.118 ( -0.000 -16.623 -11.160) 20.021 1.606 ( 0.000 -0.809 1.542) 1.741 1.808 ( -0.000 -3.923 4.210) 5.755 1.945 ( -0.000 -20.065 -18.230) 27.110 2.038 ( 0.000 2.988 6.302) 6.974 2.046 ( -0.000 -3.320 -6.864) 7.625 2.436 ( -0.000 -1.052 0.547) 1.185 2.775 ( -0.000 -1.942 1.173) 2.269 2.969 ( 0.000 10.469 4.459) 11.379 2.975 ( -0.000 -2.260 -8.298) 8.601 3.022 ( 0.000 1.609 -1.953) 2.530 3.296 ( 0.000 1.810 -1.424) 2.303 3.512 ( 0.000 0.950 2.769) 2.927 4.282 ( 0.000 0.152 2.512) 2.517 4.454 ( -0.000 -22.068 1.767) 22.139 4.733 ( -0.000 -5.663 -4.234) 7.071 5.314 ( -0.000 4.880 -12.419) 13.343 5.600 ( 0.000 26.760 -3.359) 26.970 5.826 ( 0.000 -0.604 6.890) 6.916 6.091 ( -0.000 -8.020 -7.521) 10.995 6.325 ( 0.000 7.172 9.342) 11.777 6.637 ( -0.000 -2.966 0.706) 3.049 6.809 ( 0.000 11.354 6.113) 12.895 6.906 ( -0.000 -9.579 3.082) 10.062 6.944 ( 0.000 1.549 1.055) 1.875 7.070 ( -0.000 -0.102 -1.531) 1.534 7.193 ( -0.000 -3.004 3.775) 4.825 7.315 ( 0.000 0.121 0.850) 0.858 7.340 ( 0.000 5.835 8.886) 10.631 7.481 ( -0.000 1.300 -2.507) 2.824 7.488 ( -0.000 -1.469 2.750) 3.118 7.685 ( 0.000 14.058 -6.414) 15.452 7.850 ( 0.000 4.801 -2.022) 5.210 8.336 ( -0.000 -5.209 -1.332) 5.377 8.347 ( 0.000 5.579 0.176) 5.582 8.552 ( -0.000 -2.392 -1.343) 2.743 8.614 ( -0.000 -10.471 2.109) 10.681 8.669 ( -0.000 -1.569 -0.649) 1.698 8.972 ( 0.000 4.265 -1.999) 4.710 9.252 ( -0.000 0.285 -1.001) 1.041 9.348 ( 0.000 12.775 -5.019) 13.725 9.442 ( -0.000 -4.713 4.926) 6.817 9.577 ( -0.000 -2.376 -16.524) 16.694 9.777 ( 0.000 -1.451 6.152) 6.321 10.079 ( 0.000 7.689 2.048) 7.957 10.301 ( -0.000 -9.531 -8.695) 12.901 10.420 ( -0.000 -5.485 0.157) 5.488 10.895 ( -0.000 -9.423 -7.891) 12.290 11.091 ( 0.000 0.775 3.722) 3.802 11.186 ( 0.000 1.985 -0.069) 1.986 11.395 ( 0.000 2.270 4.027) 4.623 11.548 ( -0.000 -3.106 -0.586) 3.161 11.917 ( -0.000 -7.094 7.566) 10.371 11.941 ( 0.000 1.801 5.177) 5.481 12.250 ( 0.000 7.044 3.490) 7.862 12.280 ( -0.000 -1.504 -5.002) 5.224 12.418 ( -0.000 0.692 -2.134) 2.243 12.822 ( -0.000 -0.860 -2.524) 2.666 12.871 ( 0.000 1.466 1.915) 2.412 13.032 ( 0.000 1.689 2.745) 3.223 13.094 ( -0.000 -6.746 2.832) 7.316 13.218 ( -0.000 -0.738 -3.689) 3.762 13.360 ( 0.000 12.666 -4.248) 13.360 13.729 ( -0.000 3.522 -8.304) 9.021 13.737 ( -0.000 -1.960 -1.296) 2.350 14.024 ( -0.000 -6.260 4.808) 7.893 14.246 ( -0.000 -8.287 -1.697) 8.459 14.561 ( 0.000 1.797 6.784) 7.018 14.663 ( 0.000 1.614 1.829) 2.439 14.675 ( 0.000 8.084 1.583) 8.237 14.712 ( 0.000 5.555 -0.477) 5.576 14.939 ( -0.000 -0.896 -1.231) 1.523 14.968 ( 0.000 2.670 -2.757) 3.838 15.078 ( 0.000 -0.570 2.701) 2.760 15.178 ( -0.000 -0.421 0.625) 0.754 15.212 ( 0.000 1.291 -0.412) 1.355 15.314 ( -0.000 -6.663 1.086) 6.751 15.555 ( -0.000 -1.498 -0.025) 1.498 15.660 ( -0.000 -0.029 -10.053) 10.053 15.817 ( 0.000 1.580 1.297) 2.044 16.049 ( -0.000 -1.157 -1.257) 1.709 16.106 ( -0.000 -2.597 2.475) 3.588 16.468 ( -0.000 -0.744 -0.083) 0.749 16.559 ( -0.000 0.587 -1.397) 1.516 16.616 ( -0.000 -5.343 2.481) 5.891 16.697 ( -0.000 -2.320 -2.202) 3.199 16.816 ( 0.000 2.471 -0.390) 2.502 16.897 ( -0.000 -2.050 2.636) 3.339 16.953 ( -0.000 -2.208 -2.614) 3.421 17.198 ( 0.000 6.448 2.683) 6.984 17.423 ( -0.000 1.648 -5.825) 6.054 17.484 ( -0.000 -2.526 -0.787) 2.646 17.968 ( -0.000 -0.983 -2.577) 2.758 18.173 ( -0.000 -9.531 -0.490) 9.543 18.717 ( -0.000 -4.025 0.468) 4.053 19.223 ( 0.000 11.028 11.666) 16.053 19.722 ( 0.000 -4.760 10.441) 11.475 20.187 ( 0.000 9.051 -5.668) 10.679 ======================= Grid point 17 (17/72) ======================= q-point: ( 0.38 -0.38 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -6.570 3.207 -0.000) 7.311 1.656 ( -2.713 9.521 0.000) 9.900 1.759 ( -9.711 0.407 -0.000) 9.719 1.958 ( -4.486 -2.453 -0.000) 5.113 2.017 ( 0.010 -1.820 -0.000) 1.820 2.088 ( -1.166 -0.274 -0.000) 1.197 2.559 ( -6.915 1.280 -0.000) 7.032 2.582 ( -0.973 0.087 -0.000) 0.977 2.736 ( 6.657 -8.302 -0.000) 10.641 2.836 ( -1.670 5.450 0.000) 5.700 3.139 ( 1.592 5.701 0.000) 5.920 3.184 ( 6.233 1.666 0.000) 6.452 3.361 ( -3.577 -1.217 -0.000) 3.778 3.466 ( -12.115 4.908 -0.000) 13.071 4.048 ( 5.122 -2.474 0.000) 5.688 4.574 ( -6.005 5.759 0.000) 8.320 4.613 ( 1.995 8.275 0.000) 8.512 5.195 ( 1.763 0.295 0.000) 1.788 5.442 ( -1.070 -6.219 -0.000) 6.310 5.900 ( 2.925 3.964 0.000) 4.926 6.018 ( 1.724 -2.493 -0.000) 3.031 6.266 ( 0.729 7.927 0.000) 7.960 6.408 ( 6.191 3.311 0.000) 7.021 6.553 ( -2.235 -8.200 -0.000) 8.499 6.665 ( 7.416 6.895 0.000) 10.126 6.947 ( -1.455 -9.595 -0.000) 9.705 7.066 ( -2.399 -12.272 -0.000) 12.505 7.086 ( 4.071 -3.231 -0.000) 5.197 7.485 ( -3.465 6.596 0.000) 7.450 7.527 ( 3.887 4.431 0.000) 5.895 7.601 ( -13.637 3.315 -0.000) 14.034 7.706 ( -5.780 -5.324 -0.000) 7.859 8.028 ( 2.824 2.338 0.000) 3.666 8.127 ( 2.838 5.178 0.000) 5.905 8.136 ( -6.312 -13.139 -0.000) 14.577 8.324 ( 1.630 -5.233 -0.000) 5.481 8.538 ( 5.368 -3.051 0.000) 6.175 8.835 ( -2.413 -5.232 -0.000) 5.762 8.859 ( 4.342 -3.901 -0.000) 5.837 8.987 ( -8.387 0.349 -0.000) 8.395 9.274 ( -4.177 1.769 -0.000) 4.536 9.365 ( 1.661 -0.824 0.000) 1.854 9.482 ( -5.962 5.593 0.000) 8.175 9.600 ( 4.441 2.856 0.000) 5.280 9.923 ( 0.523 -4.672 -0.000) 4.701 10.046 ( -9.958 3.543 -0.000) 10.569 10.281 ( 11.252 1.600 0.000) 11.366 10.360 ( -16.057 11.760 -0.000) 19.903 10.422 ( 7.686 6.553 0.000) 10.100 10.866 ( 10.355 -0.386 0.000) 10.362 10.996 ( -5.885 1.693 -0.000) 6.124 11.195 ( 19.554 -2.237 0.000) 19.681 11.362 ( -0.398 2.903 0.000) 2.930 11.457 ( 7.249 -1.434 0.000) 7.390 11.888 ( -2.674 7.248 0.000) 7.726 12.024 ( 1.429 1.121 0.000) 1.816 12.164 ( -0.036 -2.641 -0.000) 2.642 12.248 ( 0.613 -2.395 -0.000) 2.472 12.565 ( 3.256 -6.857 -0.000) 7.591 12.849 ( 3.551 0.223 0.000) 3.558 13.016 ( -6.645 3.513 -0.000) 7.517 13.237 ( -4.644 -0.468 -0.000) 4.667 13.426 ( 0.549 -4.170 -0.000) 4.206 13.521 ( -4.649 2.460 -0.000) 5.260 13.818 ( -0.193 -1.257 -0.000) 1.272 13.944 ( 4.265 -4.761 -0.000) 6.392 14.002 ( 10.815 -1.243 0.000) 10.886 14.129 ( -8.691 0.313 -0.000) 8.696 14.306 ( 3.112 -1.001 0.000) 3.269 14.397 ( 6.009 3.098 0.000) 6.760 14.485 ( -1.782 0.919 -0.000) 2.006 14.706 ( 1.556 -0.417 0.000) 1.611 14.716 ( -7.706 -2.692 -0.000) 8.163 14.910 ( 2.222 3.516 0.000) 4.159 14.925 ( 7.435 -1.870 0.000) 7.666 14.943 ( 2.405 4.061 0.000) 4.720 15.124 ( -0.776 1.835 0.000) 1.992 15.335 ( -1.561 -4.307 -0.000) 4.581 15.357 ( 0.176 0.431 0.000) 0.465 15.542 ( -2.255 -1.424 -0.000) 2.667 15.841 ( -0.302 1.288 0.000) 1.322 15.915 ( -0.071 3.594 0.000) 3.595 16.132 ( -0.680 -5.945 -0.000) 5.983 16.296 ( 1.880 -1.073 0.000) 2.165 16.546 ( 1.831 -1.904 -0.000) 2.641 16.548 ( -2.108 1.834 0.000) 2.794 16.630 ( 4.923 0.749 0.000) 4.980 16.932 ( -0.726 9.928 0.000) 9.954 17.138 ( 1.693 2.179 0.000) 2.760 17.188 ( -4.629 -2.734 -0.000) 5.376 17.245 ( -5.538 -3.187 -0.000) 6.390 17.302 ( 4.399 0.440 0.000) 4.421 18.167 ( -10.611 17.595 0.000) 20.547 18.235 ( 1.009 9.237 0.000) 9.292 18.721 ( -4.043 13.225 0.000) 13.829 18.853 ( -0.859 -0.347 -0.000) 0.926 19.339 ( 7.272 -7.659 -0.000) 10.562 19.493 ( 9.632 -17.246 -0.000) 19.754 19.981 ( -8.200 -17.791 -0.000) 19.590 ======================= Grid point 18 (18/72) ======================= q-point: (-0.12 -0.38 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -1.401 -10.600 -2.089) 10.894 1.773 ( -3.961 -3.099 -3.175) 5.947 1.787 ( -6.255 -0.946 -5.518) 8.394 1.899 ( 1.453 0.955 4.738) 5.047 2.107 ( -3.654 1.323 -0.041) 3.886 2.217 ( -6.397 4.071 -4.511) 8.823 2.488 ( -7.063 0.444 -0.902) 7.134 2.556 ( -1.300 -1.314 0.709) 1.980 2.658 ( 9.083 0.089 0.682) 9.109 2.726 ( 0.793 -5.872 -0.674) 5.964 3.097 ( 4.341 -2.628 4.029) 6.480 3.303 ( -0.843 2.958 -1.080) 3.260 3.405 ( -4.353 0.217 2.742) 5.149 3.448 ( -0.392 4.579 -5.523) 7.185 4.111 ( -0.197 4.235 1.833) 4.618 4.374 ( -5.788 -9.874 1.351) 11.525 4.484 ( 5.063 -9.494 -3.984) 11.474 5.493 ( 0.257 3.546 5.571) 6.609 5.608 ( 2.410 4.498 -1.989) 5.477 5.829 ( 0.537 -5.427 -1.594) 5.682 6.009 ( 1.714 2.200 -1.638) 3.234 6.048 ( 4.342 -0.825 4.105) 6.032 6.241 ( 2.614 -1.321 -2.192) 3.658 6.366 ( -1.195 -4.427 1.884) 4.957 6.619 ( 1.889 0.814 -0.243) 2.071 6.991 ( -2.620 -2.289 1.946) 3.986 7.181 ( -1.805 12.194 0.191) 12.328 7.324 ( 1.089 -0.325 -1.502) 1.883 7.468 ( -1.461 1.674 -0.194) 2.230 7.700 ( -4.467 4.893 -1.124) 6.720 7.744 ( -0.797 3.321 3.565) 4.937 7.825 ( -1.919 -4.613 -6.292) 8.034 7.968 ( 5.179 -2.564 -3.137) 6.576 8.108 ( -1.862 -0.243 -2.114) 2.827 8.310 ( 0.453 0.360 1.284) 1.408 8.399 ( -4.388 8.540 3.003) 10.060 8.574 ( 3.356 1.669 4.234) 5.654 8.652 ( -0.682 2.627 -1.189) 2.963 8.931 ( -1.371 9.136 -2.484) 9.566 9.128 ( -3.091 -3.734 -1.163) 4.985 9.224 ( -6.671 2.807 3.256) 7.936 9.357 ( 1.875 6.204 -0.666) 6.516 9.527 ( 5.358 0.083 -3.467) 6.382 9.708 ( 2.386 -3.162 -3.219) 5.105 9.871 ( -3.639 -2.362 2.614) 5.065 9.936 ( 0.875 -5.655 -1.844) 6.013 10.083 ( 0.833 -9.587 -0.424) 9.632 10.275 ( 5.932 -1.997 1.536) 6.445 10.324 ( -5.725 -5.074 -4.447) 8.849 10.688 ( -10.981 -5.791 6.403) 13.968 10.769 ( 17.096 -0.876 3.848) 17.546 11.265 ( -2.474 -2.920 -0.519) 3.862 11.389 ( 11.389 -0.326 -0.538) 11.406 11.556 ( 8.224 5.241 -1.255) 9.832 11.779 ( 3.457 -6.128 -2.737) 7.549 12.109 ( -2.783 0.086 -1.319) 3.081 12.174 ( 1.470 0.878 1.918) 2.571 12.209 ( 0.350 -0.363 0.798) 0.944 12.646 ( -4.797 3.079 2.982) 6.433 12.776 ( 0.925 -1.215 1.163) 1.919 13.009 ( 1.947 2.353 -3.001) 4.281 13.396 ( -4.542 4.082 -4.076) 7.342 13.477 ( 2.405 2.473 1.218) 3.658 13.679 ( -6.193 -2.763 -3.578) 7.668 13.776 ( -0.156 0.738 4.369) 4.434 13.806 ( 1.463 3.435 1.506) 4.026 14.003 ( 2.452 -3.954 2.051) 5.084 14.176 ( -1.417 1.048 -4.128) 4.489 14.205 ( 0.541 -0.393 3.497) 3.560 14.344 ( 5.387 2.735 -1.901) 6.333 14.486 ( -1.238 -0.148 -1.406) 1.879 14.700 ( -0.162 -5.818 0.050) 5.820 14.817 ( 6.272 -0.131 1.340) 6.415 14.843 ( -1.736 -0.424 0.818) 1.966 14.978 ( 2.119 3.733 0.052) 4.293 14.996 ( 0.476 -1.181 -0.463) 1.355 15.089 ( 2.496 2.880 -1.829) 4.227 15.441 ( -0.401 3.143 -1.114) 3.359 15.492 ( 4.283 -0.257 -1.201) 4.455 15.558 ( -0.503 1.414 0.214) 1.516 15.750 ( -1.045 -2.295 1.014) 2.718 15.827 ( 0.626 0.355 0.302) 0.780 16.264 ( -1.975 1.586 -0.338) 2.555 16.386 ( 0.763 -1.718 2.719) 3.306 16.408 ( 1.975 3.170 -1.625) 4.073 16.644 ( -1.524 3.476 1.934) 4.260 16.672 ( -1.553 -0.364 -4.313) 4.599 16.715 ( 2.869 1.179 3.904) 4.986 16.872 ( -0.082 -10.942 0.282) 10.946 17.190 ( -5.076 -0.728 0.582) 5.161 17.262 ( 1.541 -4.206 -1.465) 4.713 17.482 ( -0.071 3.242 -0.784) 3.336 17.831 ( -2.213 -18.141 -0.488) 18.282 18.064 ( -0.634 -3.849 2.292) 4.524 18.228 ( -1.257 -11.743 -2.274) 12.027 19.076 ( -4.433 1.685 -0.035) 4.743 19.548 ( -0.637 8.467 6.119) 10.466 19.573 ( -4.280 8.357 1.091) 9.453 20.403 ( 3.512 15.132 -3.950) 16.029 ======================= Grid point 19 (19/72) ======================= q-point: (-0.45 0.20 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 8.026 -7.576 0.690) 11.058 1.522 ( 6.088 -9.703 1.026) 11.500 1.660 ( 4.277 -3.721 -0.432) 5.686 1.893 ( 4.149 2.963 6.596) 8.337 1.909 ( 1.023 0.468 1.179) 1.629 2.090 ( -3.487 -4.988 -4.273) 7.436 2.279 ( 5.264 -3.072 0.853) 6.155 2.516 ( -0.243 -1.043 -0.458) 1.165 2.702 ( -2.741 6.899 -1.219) 7.523 2.841 ( 1.923 0.426 -3.285) 3.830 3.020 ( 5.753 3.369 -0.531) 6.688 3.168 ( 5.150 -8.486 -5.458) 11.328 3.272 ( -0.804 -1.193 -1.671) 2.205 3.484 ( -0.810 -0.449 4.382) 4.478 4.211 ( -4.851 1.868 3.159) 6.083 4.808 ( -1.999 0.654 -0.627) 2.195 4.872 ( 0.539 -6.362 0.522) 6.406 5.136 ( -2.234 1.062 -6.866) 7.298 5.344 ( 1.167 -3.836 -5.099) 6.486 5.741 ( 3.668 11.537 0.012) 12.106 6.219 ( -3.494 -5.063 -2.815) 6.765 6.240 ( 0.268 -0.001 8.849) 8.853 6.479 ( -8.571 3.022 3.010) 9.574 6.688 ( -0.070 2.840 3.207) 4.285 6.786 ( -3.069 7.974 -7.732) 11.523 6.974 ( -1.074 5.577 -3.594) 6.721 7.070 ( 3.759 1.326 0.219) 3.992 7.139 ( -1.292 5.413 1.391) 5.736 7.261 ( -10.993 -14.818 4.013) 18.882 7.342 ( 6.301 4.657 1.782) 8.035 7.505 ( 8.768 0.780 1.596) 8.946 7.597 ( -0.434 -10.052 4.709) 11.109 7.782 ( 16.741 -0.711 0.950) 16.783 7.931 ( 7.366 -1.814 -3.116) 8.201 8.204 ( -3.428 2.889 0.958) 4.584 8.394 ( -4.503 -3.822 -1.707) 6.148 8.505 ( -0.615 3.234 1.991) 3.848 8.706 ( 0.359 -2.911 0.919) 3.074 8.828 ( -9.201 -2.594 -1.779) 9.724 8.922 ( 3.931 2.413 -2.366) 5.184 9.172 ( 10.308 -1.261 -4.167) 11.189 9.291 ( 5.418 8.863 -6.316) 12.157 9.497 ( -0.598 -1.783 5.072) 5.409 9.748 ( -4.448 -3.058 6.898) 8.759 9.787 ( 0.753 -9.465 -1.215) 9.572 9.934 ( 0.235 1.628 -1.054) 1.953 10.400 ( -2.272 -3.933 -3.544) 5.761 10.555 ( 1.913 -1.744 -6.428) 6.930 10.752 ( -14.410 8.865 3.957) 17.375 11.012 ( -7.860 -7.673 0.334) 10.990 11.101 ( -5.928 1.424 0.671) 6.133 11.562 ( -0.848 1.110 1.295) 1.905 11.583 ( 10.600 1.611 -0.247) 10.724 11.744 ( -9.497 -0.040 3.879) 10.259 11.997 ( 3.347 5.166 0.552) 6.180 12.128 ( -1.493 0.561 0.855) 1.810 12.228 ( -9.050 -2.065 -3.349) 9.868 12.428 ( -5.245 -0.151 1.648) 5.500 12.627 ( -10.261 4.105 -4.833) 12.062 12.866 ( -0.747 -1.028 2.599) 2.893 12.924 ( -2.023 -1.795 1.656) 3.171 13.198 ( 4.965 1.675 -1.634) 5.488 13.284 ( 3.897 -0.953 -2.920) 4.962 13.384 ( 4.361 -4.937 3.004) 7.240 13.716 ( 2.284 0.393 -5.122) 5.622 13.811 ( 3.839 -0.154 -0.268) 3.851 14.171 ( 3.706 -3.503 6.776) 8.481 14.339 ( -6.801 5.011 -0.850) 8.491 14.406 ( -6.536 1.717 -2.776) 7.306 14.463 ( 1.802 2.020 -1.839) 3.273 14.525 ( -10.613 -1.626 1.458) 10.835 14.665 ( -1.867 1.243 5.618) 6.049 14.905 ( -2.851 -1.343 -2.834) 4.238 14.987 ( 1.058 0.893 0.449) 1.456 15.108 ( 2.268 1.191 -1.512) 2.974 15.150 ( -4.730 -0.788 -0.741) 4.852 15.194 ( 0.622 0.473 -0.339) 0.852 15.330 ( -4.637 -2.564 5.739) 7.812 15.584 ( -6.980 -4.188 -2.434) 8.495 15.697 ( 3.156 1.118 -0.842) 3.452 15.803 ( 0.807 0.022 -1.050) 1.325 15.884 ( -10.629 -6.074 -2.488) 12.492 16.163 ( -1.599 1.408 4.297) 4.796 16.430 ( -3.331 -0.323 0.047) 3.347 16.511 ( -4.783 0.828 -2.449) 5.437 16.667 ( -5.357 1.931 -1.337) 5.849 16.760 ( 6.783 3.803 3.202) 8.410 16.860 ( 5.131 -0.787 -0.525) 5.218 16.873 ( -2.086 -1.649 -1.137) 2.892 17.015 ( 5.489 1.678 2.525) 6.271 17.115 ( 4.449 -4.389 1.140) 6.353 17.468 ( 3.473 2.706 -0.414) 4.423 17.808 ( 15.692 -4.514 -5.766) 17.317 17.994 ( 5.708 0.661 0.475) 5.766 18.489 ( 11.998 -6.809 -1.358) 13.862 18.799 ( 0.738 0.834 -0.045) 1.114 18.927 ( 4.171 16.685 0.997) 17.227 19.520 ( -5.002 12.265 -5.982) 14.534 20.204 ( -8.508 -14.352 10.014) 19.458 ======================= Grid point 20 (20/72) ======================= q-point: ( 0.05 0.20 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 15.780 -0.000 19.859) 25.365 0.797 ( 20.639 -0.000 18.844) 27.948 1.443 ( 31.713 -0.000 27.355) 41.881 1.457 ( 4.249 -0.000 2.593) 4.978 1.842 ( 11.258 0.000 -4.842) 12.255 1.984 ( 0.480 -0.000 0.683) 0.835 2.059 ( 6.146 -0.000 7.321) 9.559 2.490 ( -5.031 0.000 -4.877) 7.007 2.688 ( -3.296 0.000 -4.866) 5.877 2.920 ( -4.703 -0.000 6.488) 8.013 2.962 ( -2.198 -0.000 7.239) 7.565 3.298 ( 4.774 0.000 -2.610) 5.441 3.485 ( -3.686 0.000 -1.470) 3.969 3.549 ( -0.083 0.000 -3.371) 3.372 3.912 ( 8.706 -0.000 -0.967) 8.760 4.277 ( -1.967 0.000 0.049) 1.968 4.524 ( -4.903 -0.000 1.948) 5.276 5.576 ( -2.574 0.000 -0.007) 2.574 5.801 ( -2.263 0.000 -0.270) 2.279 5.877 ( -19.950 -0.000 16.150) 25.667 6.334 ( -5.918 0.000 0.012) 5.918 6.509 ( -5.222 0.000 -11.728) 12.838 6.546 ( -9.483 0.000 -3.094) 9.975 6.594 ( -1.187 -0.000 0.189) 1.202 6.639 ( -6.795 0.000 -5.004) 8.439 6.916 ( 4.562 0.000 -5.922) 7.475 7.054 ( 7.086 -0.000 4.054) 8.163 7.267 ( -0.964 0.000 -0.377) 1.035 7.324 ( 4.627 0.000 -0.998) 4.733 7.414 ( -2.437 -0.000 10.094) 10.384 7.556 ( 3.474 0.000 -1.425) 3.755 7.757 ( 14.025 -0.000 4.447) 14.713 7.857 ( -1.529 -0.000 5.239) 5.457 8.124 ( -6.458 -0.000 3.421) 7.308 8.140 ( 0.296 0.000 -6.022) 6.029 8.365 ( 8.997 -0.000 5.143) 10.363 8.489 ( 1.418 0.000 -7.012) 7.154 8.776 ( 11.015 -0.000 4.950) 12.076 8.882 ( 16.842 -0.000 1.416) 16.902 9.130 ( -11.443 0.000 -4.764) 12.395 9.176 ( -18.137 -0.000 8.891) 20.199 9.203 ( 6.666 -0.000 2.432) 7.095 9.415 ( -8.911 0.000 -0.997) 8.966 9.712 ( -17.953 -0.000 21.822) 28.258 9.855 ( -0.295 -0.000 3.460) 3.473 9.981 ( -5.167 0.000 -11.810) 12.890 10.201 ( 12.263 -0.000 3.510) 12.756 10.386 ( -5.380 -0.000 4.369) 6.930 10.403 ( -10.254 -0.000 4.667) 11.266 10.703 ( -4.596 -0.000 6.029) 7.581 11.232 ( -0.366 0.000 -0.063) 0.371 11.430 ( -11.338 0.000 -11.403) 16.080 11.500 ( 1.688 -0.000 0.782) 1.860 11.785 ( 5.247 0.000 -10.901) 12.098 12.075 ( -4.034 -0.000 1.409) 4.273 12.120 ( 0.995 -0.000 1.181) 1.545 12.307 ( 8.752 0.000 -1.829) 8.941 12.355 ( -15.635 0.000 -0.329) 15.639 12.711 ( -16.814 0.000 -3.773) 17.232 12.857 ( -1.617 0.000 -1.749) 2.381 12.949 ( 6.793 -0.000 3.916) 7.841 13.112 ( 1.086 -0.000 6.751) 6.838 13.298 ( 10.383 -0.000 0.308) 10.388 13.683 ( -2.433 0.000 -2.837) 3.738 13.722 ( 4.238 -0.000 -0.035) 4.239 13.797 ( -0.192 -0.000 1.231) 1.246 13.939 ( 1.825 -0.000 2.037) 2.735 14.221 ( -12.451 -0.000 15.763) 20.087 14.267 ( -4.739 0.000 -4.963) 6.863 14.628 ( -8.483 0.000 -1.686) 8.649 14.808 ( -1.224 -0.000 3.522) 3.728 14.877 ( -9.898 0.000 -2.769) 10.278 14.879 ( -5.640 0.000 -0.038) 5.640 14.895 ( -4.764 0.000 -4.262) 6.392 14.986 ( 1.644 -0.000 -0.014) 1.644 15.096 ( -6.286 -0.000 1.777) 6.532 15.290 ( 6.526 0.000 -1.027) 6.606 15.447 ( -10.368 -0.000 7.382) 12.728 15.476 ( -2.226 -0.000 2.176) 3.113 15.717 ( 3.162 0.000 -4.311) 5.346 15.744 ( -2.819 -0.000 15.285) 15.543 15.850 ( -0.090 0.000 -0.630) 0.636 16.295 ( 3.131 0.000 -2.898) 4.267 16.436 ( 0.484 -0.000 0.746) 0.889 16.549 ( 0.680 -0.000 2.059) 2.168 16.581 ( -11.396 0.000 -0.825) 11.426 16.594 ( -1.593 0.000 -1.847) 2.439 16.728 ( 2.706 -0.000 2.992) 4.034 16.870 ( 6.362 -0.000 0.712) 6.402 17.002 ( 8.273 0.000 -1.160) 8.354 17.223 ( -6.395 0.000 -10.165) 12.009 17.423 ( 2.989 -0.000 2.847) 4.128 17.428 ( 3.218 -0.000 -0.342) 3.236 17.955 ( -0.465 -0.000 5.558) 5.577 18.024 ( 5.380 0.000 -8.228) 9.831 18.711 ( 14.002 0.000 -1.691) 14.103 19.325 ( 40.095 0.000 -36.350) 54.119 19.732 ( -1.099 0.000 -0.680) 1.293 20.636 ( -6.346 -0.000 8.519) 10.623 ======================= Grid point 21 (21/72) ======================= q-point: (-0.27 -0.23 -0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -10.389 -6.777 -4.665) 13.252 1.675 ( -5.090 -3.571 -1.631) 6.428 1.722 ( -9.069 -4.343 -7.688) 12.657 1.930 ( 1.095 1.228 0.868) 1.861 1.982 ( -5.851 -1.018 -2.175) 6.324 2.063 ( -2.520 0.933 -1.135) 2.917 2.318 ( -6.076 -0.284 -0.660) 6.119 2.536 ( 0.972 3.891 0.959) 4.123 2.740 ( 5.608 5.333 0.535) 7.757 2.849 ( -3.320 -5.205 0.750) 6.219 3.175 ( -5.689 1.156 4.575) 7.391 3.231 ( -0.392 -1.004 2.825) 3.024 3.313 ( 0.719 0.178 -5.057) 5.111 3.438 ( -3.149 -4.378 -5.991) 8.061 4.082 ( 4.518 1.982 2.222) 5.411 4.520 ( -2.961 -14.085 -1.303) 14.452 4.765 ( 2.907 -8.984 -3.621) 10.113 5.397 ( 3.145 10.365 2.765) 11.179 5.536 ( 0.911 6.700 -0.603) 6.789 5.845 ( -6.444 1.766 5.751) 8.816 6.054 ( 7.319 -4.653 -2.504) 9.027 6.195 ( 1.827 1.840 2.636) 3.698 6.304 ( 5.738 2.314 -0.381) 6.199 6.527 ( 5.934 -11.857 0.600) 13.273 6.727 ( -0.426 -0.905 4.792) 4.896 6.866 ( 6.160 3.616 0.278) 7.149 7.026 ( -2.621 0.447 0.068) 2.660 7.225 ( -1.929 5.577 -1.292) 6.041 7.411 ( -3.828 5.784 0.646) 6.966 7.473 ( -7.862 4.333 -3.206) 9.532 7.668 ( -2.117 6.954 -6.513) 9.760 7.733 ( -6.800 -1.910 2.151) 7.384 8.050 ( -4.004 5.014 0.540) 6.440 8.074 ( 0.065 1.217 -2.676) 2.940 8.189 ( -1.776 -1.797 0.207) 2.535 8.250 ( -2.225 -1.361 -0.669) 2.693 8.590 ( -6.336 -3.144 0.456) 7.087 8.654 ( 1.845 4.311 0.711) 4.743 8.718 ( 2.724 2.226 2.967) 4.602 9.067 ( -6.860 1.820 0.523) 7.116 9.235 ( 7.624 -4.160 -3.650) 9.421 9.371 ( 8.013 1.749 2.248) 8.504 9.518 ( -2.995 4.983 -3.698) 6.890 9.697 ( -7.108 5.485 1.858) 9.168 9.791 ( -2.965 -5.811 -3.437) 7.374 10.039 ( -1.085 1.369 -2.661) 3.183 10.215 ( -0.122 -12.955 -2.656) 13.225 10.493 ( 9.391 -0.805 6.942) 11.706 10.607 ( 5.643 -4.337 -1.226) 7.222 10.709 ( 7.233 -5.261 -0.973) 8.996 10.991 ( 8.220 2.505 1.942) 8.810 11.342 ( 5.296 -3.896 0.595) 6.601 11.551 ( 4.415 0.209 -1.523) 4.675 11.788 ( 3.743 -4.137 0.638) 5.615 11.930 ( 9.666 1.453 0.768) 9.804 12.045 ( -0.601 0.040 -1.685) 1.789 12.193 ( 1.923 1.767 -1.254) 2.897 12.283 ( 5.976 0.460 1.588) 6.200 12.517 ( 0.077 -0.822 5.743) 5.802 12.838 ( 1.553 -1.235 1.972) 2.797 12.955 ( -1.683 3.647 -5.125) 6.512 13.257 ( -2.383 1.253 -3.030) 4.053 13.440 ( -3.983 1.411 -0.158) 4.228 13.497 ( -4.034 3.949 -1.192) 5.769 13.766 ( 1.354 0.657 0.316) 1.538 13.848 ( -2.838 -3.024 1.904) 4.563 14.127 ( 1.736 -4.196 -0.754) 4.603 14.249 ( 4.805 -2.520 8.861) 10.390 14.297 ( 8.625 4.106 -3.286) 10.102 14.330 ( -0.945 -0.225 -0.361) 1.036 14.438 ( 4.464 2.515 -2.754) 5.817 14.667 ( -1.824 4.311 0.303) 4.690 14.887 ( 2.820 -1.377 -1.761) 3.598 14.964 ( 4.338 -0.586 2.008) 4.816 15.021 ( 1.172 -1.679 1.283) 2.416 15.075 ( 5.313 -3.748 -1.517) 6.676 15.144 ( 3.741 -1.207 -1.058) 4.070 15.345 ( -4.327 3.154 -1.604) 5.589 15.495 ( 4.497 4.735 -2.186) 6.886 15.664 ( 11.096 -0.737 -2.356) 11.367 15.792 ( -3.976 -4.627 0.083) 6.102 15.838 ( 0.623 0.492 -1.459) 1.661 16.095 ( -0.236 6.428 0.599) 6.460 16.377 ( 3.118 -0.132 0.677) 3.193 16.454 ( -0.641 -1.109 2.076) 2.439 16.655 ( 1.743 2.027 -0.239) 2.684 16.715 ( 2.893 -4.340 1.003) 5.312 16.762 ( 0.145 -2.175 2.211) 3.105 17.008 ( -6.518 -3.736 -1.286) 7.622 17.083 ( -4.142 -1.478 0.908) 4.490 17.246 ( -5.218 1.655 -3.616) 6.561 17.478 ( 2.504 0.035 1.740) 3.049 17.962 ( -7.945 -6.126 -0.892) 10.072 18.302 ( -6.346 -9.034 -3.634) 11.623 18.440 ( -8.226 -16.380 0.550) 18.338 18.869 ( -9.210 1.448 2.238) 9.588 19.164 ( -9.872 8.211 13.759) 18.820 19.432 ( 5.159 4.743 3.101) 7.664 20.157 ( 9.088 18.756 -10.388) 23.287 ======================= Grid point 22 (22/72) ======================= q-point: ( 0.23 -0.23 -0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -17.158 15.527 0.000) 23.140 1.267 ( -20.623 7.651 -0.000) 21.996 1.559 ( -8.821 2.231 -0.000) 9.099 1.851 ( -12.282 -1.230 -0.000) 12.344 2.007 ( -1.917 1.812 0.000) 2.638 2.040 ( -3.683 -0.264 -0.000) 3.693 2.417 ( -21.338 7.933 -0.000) 22.765 2.439 ( -2.533 -1.025 -0.000) 2.733 2.700 ( 2.416 3.974 0.000) 4.651 2.851 ( 3.664 7.762 0.000) 8.583 2.883 ( -4.931 3.516 -0.000) 6.056 3.251 ( 1.589 -10.414 -0.000) 10.535 3.379 ( 6.596 0.081 0.000) 6.596 3.490 ( -2.488 -8.594 -0.000) 8.947 4.208 ( 4.180 -1.780 0.000) 4.543 4.254 ( -8.803 9.249 0.000) 12.769 4.475 ( 4.095 7.817 0.000) 8.825 5.262 ( 1.297 -4.936 -0.000) 5.103 5.562 ( 4.076 4.171 0.000) 5.832 5.941 ( -4.979 3.420 -0.000) 6.040 5.981 ( 6.214 -9.083 -0.000) 11.005 6.344 ( 10.496 -1.094 0.000) 10.553 6.499 ( 11.459 5.310 0.000) 12.630 6.677 ( 9.359 8.158 0.000) 12.416 6.685 ( -2.551 -7.198 -0.000) 7.637 7.122 ( -5.613 -0.064 -0.000) 5.613 7.131 ( 1.325 -5.430 -0.000) 5.589 7.204 ( 3.976 -0.199 0.000) 3.981 7.251 ( -7.224 3.864 -0.000) 8.193 7.337 ( -7.910 -0.039 -0.000) 7.910 7.551 ( -0.961 -1.948 -0.000) 2.172 7.716 ( 0.896 -2.496 -0.000) 2.652 8.015 ( 1.674 2.428 0.000) 2.949 8.052 ( 1.001 7.066 0.000) 7.137 8.338 ( -7.394 -14.174 -0.000) 15.986 8.372 ( -14.363 -8.439 -0.000) 16.659 8.701 ( -6.523 0.910 -0.000) 6.586 8.760 ( -3.653 -6.483 -0.000) 7.441 8.794 ( -4.105 -6.508 -0.000) 7.694 8.968 ( 10.135 4.028 0.000) 10.906 9.116 ( -5.403 2.563 -0.000) 5.980 9.309 ( -1.334 0.192 -0.000) 1.348 9.455 ( -9.946 6.066 -0.000) 11.650 9.646 ( -7.730 19.698 0.000) 21.161 9.799 ( 15.457 -10.633 0.000) 18.761 9.979 ( -4.549 -6.026 -0.000) 7.550 10.042 ( 3.988 0.824 0.000) 4.072 10.334 ( 10.499 10.706 0.000) 14.995 10.564 ( 12.155 3.728 0.000) 12.714 10.646 ( -16.848 6.952 -0.000) 18.226 11.131 ( 7.831 -3.604 0.000) 8.620 11.369 ( 8.724 2.953 0.000) 9.211 11.520 ( 0.130 0.340 0.000) 0.364 11.760 ( 21.535 0.153 0.000) 21.536 11.867 ( 16.807 1.603 0.000) 16.883 11.975 ( -6.236 -2.757 -0.000) 6.819 12.177 ( 0.310 1.878 0.000) 1.903 12.415 ( 9.115 -3.172 0.000) 9.651 12.725 ( -10.864 5.550 -0.000) 12.199 12.760 ( 1.739 -6.109 -0.000) 6.352 12.920 ( 2.986 0.741 0.000) 3.077 13.127 ( -4.981 0.707 -0.000) 5.031 13.420 ( -4.196 -0.079 -0.000) 4.197 13.569 ( -0.348 -7.986 -0.000) 7.993 13.796 ( -1.641 0.411 -0.000) 1.692 13.924 ( -8.714 1.824 -0.000) 8.903 13.973 ( -0.167 5.109 0.000) 5.111 14.202 ( -7.561 3.318 -0.000) 8.257 14.278 ( 12.469 4.402 0.000) 13.224 14.473 ( 7.249 -0.078 0.000) 7.249 14.618 ( 9.413 -1.638 0.000) 9.554 14.753 ( 1.666 -9.274 -0.000) 9.422 14.769 ( 2.505 -1.314 0.000) 2.829 14.888 ( 4.281 4.118 0.000) 5.940 14.927 ( 5.360 3.946 0.000) 6.656 15.062 ( -3.505 0.554 -0.000) 3.549 15.170 ( 8.037 -4.828 0.000) 9.376 15.366 ( -2.311 -1.918 -0.000) 3.003 15.417 ( 5.041 0.149 0.000) 5.043 15.543 ( -2.955 -4.557 -0.000) 5.431 15.825 ( 1.147 0.716 0.000) 1.352 15.832 ( -3.680 -0.454 -0.000) 3.708 16.221 ( -2.197 -5.189 -0.000) 5.635 16.368 ( 1.507 -2.630 -0.000) 3.032 16.484 ( 3.042 3.279 0.000) 4.473 16.561 ( 0.718 4.479 0.000) 4.536 16.692 ( 1.976 1.933 0.000) 2.764 16.737 ( -2.870 2.587 0.000) 3.864 17.076 ( -8.843 2.883 -0.000) 9.301 17.124 ( -7.627 -2.505 -0.000) 8.028 17.202 ( 2.917 -5.419 -0.000) 6.154 17.438 ( 9.288 4.321 0.000) 10.244 17.662 ( -7.347 12.126 0.000) 14.178 18.005 ( -0.541 11.786 0.000) 11.798 18.366 ( -8.257 7.320 0.000) 11.035 18.802 ( -5.234 -0.669 -0.000) 5.276 19.597 ( 4.333 -5.536 -0.000) 7.030 19.966 ( 7.696 -9.943 -0.000) 12.573 20.208 ( -7.901 -17.833 -0.000) 19.505 ======================= Grid point 23 (23/72) ======================= q-point: (-0.10 0.35 -0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 14.518 -13.098 6.549) 20.621 1.344 ( 18.937 -7.821 8.316) 22.112 1.597 ( 7.803 -1.796 3.269) 8.648 1.882 ( 8.148 0.396 2.971) 8.682 1.980 ( 4.268 0.081 -0.953) 4.374 2.066 ( 3.552 -0.464 0.456) 3.611 2.374 ( 6.250 0.425 -1.947) 6.560 2.502 ( 11.896 -3.696 4.501) 13.245 2.668 ( -0.937 -5.555 -2.568) 6.192 2.853 ( -5.575 -2.851 1.243) 6.384 3.000 ( 6.093 -5.293 8.679) 11.852 3.265 ( -1.420 5.765 0.870) 6.001 3.369 ( -4.941 2.178 -0.347) 5.411 3.458 ( 1.858 8.024 -3.349) 8.891 4.170 ( 0.490 -0.863 -3.363) 3.506 4.267 ( 4.244 -6.695 0.913) 7.979 4.501 ( -4.241 -8.097 2.575) 9.496 5.394 ( -3.801 5.343 10.906) 12.726 5.677 ( -5.559 1.079 7.958) 9.767 5.876 ( 1.935 -4.773 -5.390) 7.455 6.027 ( -4.408 8.407 3.141) 9.999 6.343 ( -10.987 0.241 -1.434) 11.083 6.367 ( -9.021 -2.518 -10.123) 13.791 6.494 ( -3.493 -1.125 -9.725) 10.395 6.690 ( -1.338 -4.042 -3.288) 5.380 7.012 ( 2.175 -0.526 -5.402) 5.847 7.114 ( 4.941 6.879 -0.102) 8.470 7.274 ( -1.147 2.294 3.950) 4.710 7.361 ( 3.622 2.055 6.359) 7.601 7.492 ( 7.403 -5.424 10.802) 14.174 7.568 ( 3.126 3.228 1.560) 4.756 7.753 ( -1.657 4.177 3.430) 5.653 8.030 ( 0.693 -7.288 -1.631) 7.501 8.048 ( -3.375 -2.230 2.874) 4.963 8.260 ( 10.081 5.206 -4.483) 12.200 8.403 ( 5.302 14.821 -0.885) 15.765 8.599 ( 10.764 0.006 -4.186) 11.549 8.765 ( 2.464 6.781 -0.002) 7.215 8.836 ( -6.567 3.681 -1.155) 7.617 8.988 ( -2.775 -2.997 5.825) 7.114 9.113 ( 6.400 -1.761 -0.672) 6.671 9.424 ( 7.025 1.739 4.890) 8.734 9.484 ( -5.244 -5.651 6.350) 9.988 9.666 ( 8.415 -16.636 1.924) 18.742 9.745 ( -7.772 8.215 -3.827) 11.939 9.941 ( 4.796 3.174 -3.261) 6.611 10.085 ( -5.611 0.218 2.545) 6.165 10.366 ( -12.087 -10.897 3.117) 16.570 10.555 ( -12.910 -2.444 -0.622) 13.154 10.616 ( 11.672 -6.329 -3.422) 13.712 11.106 ( -8.487 3.321 -2.511) 9.453 11.294 ( -6.465 -4.047 -4.694) 8.956 11.537 ( -0.279 0.576 1.626) 1.747 11.775 ( -10.453 -1.912 -5.410) 11.924 11.857 ( -15.603 -0.621 6.474) 16.904 12.032 ( -1.678 2.129 3.082) 4.104 12.176 ( -0.159 -1.514 0.067) 1.524 12.380 ( -8.242 2.714 -3.215) 9.254 12.614 ( 7.383 -2.280 -6.506) 10.101 12.827 ( -0.901 -0.411 0.943) 1.368 12.950 ( -1.351 3.032 4.039) 5.228 13.181 ( 5.066 0.020 4.981) 7.104 13.435 ( 4.575 0.720 1.556) 4.885 13.586 ( 0.086 5.955 0.918) 6.026 13.778 ( -0.056 -0.055 -0.448) 0.454 13.875 ( 7.252 -1.274 -4.539) 8.650 14.013 ( 1.452 -4.036 2.283) 4.859 14.221 ( 0.811 -4.587 -0.003) 4.658 14.268 ( -5.436 -4.126 1.215) 6.931 14.396 ( -8.258 1.912 -5.324) 10.009 14.596 ( -8.758 5.430 -2.999) 10.732 14.738 ( -0.684 3.784 0.591) 3.890 14.812 ( -4.111 -0.460 2.910) 5.058 14.900 ( -2.671 -4.688 0.437) 5.413 14.965 ( -4.519 -1.127 2.987) 5.533 15.045 ( 2.779 -0.306 -1.518) 3.181 15.172 ( -8.374 5.378 0.302) 9.957 15.380 ( 3.515 2.269 1.124) 4.332 15.474 ( -5.223 -1.035 5.064) 7.348 15.591 ( -2.121 5.074 4.187) 6.912 15.773 ( 2.100 -1.701 -3.620) 4.517 15.845 ( 0.438 0.633 0.061) 0.772 16.217 ( 2.282 5.187 -0.293) 5.674 16.393 ( -1.028 2.915 2.070) 3.720 16.471 ( -3.191 -2.019 -1.143) 3.945 16.584 ( 0.341 -4.183 1.923) 4.617 16.673 ( 0.032 -3.597 -2.377) 4.312 16.752 ( 0.285 -1.614 2.171) 2.720 17.026 ( 3.659 2.021 -7.088) 8.229 17.098 ( 0.204 -1.530 -4.506) 4.763 17.172 ( 6.129 -0.396 3.677) 7.158 17.461 ( -3.034 -1.887 1.537) 3.890 17.730 ( 3.909 -13.472 4.066) 14.605 18.031 ( 0.664 -8.644 2.654) 9.066 18.236 ( 7.038 -9.037 -9.107) 14.633 18.884 ( 7.525 1.235 5.011) 9.124 19.588 ( -2.888 5.177 -1.951) 6.241 19.703 ( 8.158 10.000 -18.003) 22.151 20.346 ( -2.855 15.851 8.689) 18.300 ======================= Grid point 24 (24/72) ======================= q-point: ( 0.40 0.35 -0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 3.237 4.090 0.903) 5.293 1.722 ( 7.587 -1.016 2.854) 8.169 1.807 ( 1.634 -0.058 -0.392) 1.681 1.906 ( 2.689 2.217 0.984) 3.621 2.028 ( 2.698 0.700 0.926) 2.937 2.111 ( 1.590 -6.568 3.528) 7.623 2.387 ( 5.160 1.382 4.771) 7.162 2.537 ( 1.879 -3.239 2.138) 4.312 2.724 ( -2.823 -6.542 -1.579) 7.298 2.841 ( 3.003 3.879 -0.533) 4.935 3.069 ( 2.496 0.934 -4.978) 5.646 3.143 ( -2.223 2.592 -4.887) 5.962 3.388 ( 2.900 1.764 2.335) 4.120 3.540 ( 2.179 -1.186 3.438) 4.239 4.065 ( -4.672 0.975 0.183) 4.776 4.546 ( 2.422 14.181 1.174) 14.434 4.843 ( -3.371 5.541 4.845) 8.096 5.202 ( -3.803 -3.306 -13.331) 14.252 5.506 ( 1.886 -7.985 -2.328) 8.529 5.776 ( 6.064 -4.257 -2.382) 7.783 6.031 ( -7.672 7.210 -3.308) 11.035 6.267 ( -2.832 -1.174 7.048) 7.686 6.362 ( -2.184 -1.345 4.231) 4.948 6.525 ( -1.892 10.732 -1.308) 10.975 6.662 ( -0.084 0.217 -1.459) 1.478 6.894 ( -2.950 -1.267 3.594) 4.819 7.001 ( 1.206 -3.383 -2.060) 4.141 7.229 ( -0.014 -7.538 -1.218) 7.636 7.355 ( 4.001 -0.154 -2.064) 4.505 7.573 ( 6.562 -7.305 1.782) 9.979 7.675 ( 0.678 0.694 0.085) 0.974 7.785 ( 5.076 -7.414 4.513) 10.055 8.045 ( 3.769 -3.043 -0.738) 4.900 8.103 ( -0.208 1.263 0.054) 1.281 8.167 ( 7.259 -3.958 -0.989) 8.327 8.300 ( -0.335 1.926 4.381) 4.798 8.554 ( 3.667 -1.604 -4.926) 6.347 8.623 ( -5.245 2.180 -1.404) 5.851 8.717 ( -1.771 -1.237 3.345) 3.981 9.029 ( -1.367 -7.784 -3.886) 8.807 9.191 ( 2.033 4.903 -2.278) 5.776 9.430 ( 1.710 -3.387 1.528) 4.090 9.572 ( 4.015 -2.897 2.968) 5.772 9.715 ( -1.498 -3.933 2.991) 5.163 9.843 ( 1.400 3.608 2.036) 4.373 10.063 ( 0.673 -5.658 0.108) 5.699 10.280 ( -0.427 16.758 3.151) 17.057 10.366 ( -4.744 2.547 -5.149) 7.450 10.570 ( -1.656 2.749 -2.649) 4.162 10.791 ( -15.865 4.325 4.648) 17.088 10.954 ( -10.411 -1.291 -1.688) 10.626 11.339 ( -3.050 5.689 -0.076) 6.456 11.598 ( -7.458 -1.181 3.108) 8.166 11.778 ( 2.068 4.498 -0.209) 4.955 11.880 ( -12.452 -3.892 -3.817) 13.593 12.075 ( 1.811 0.597 1.313) 2.316 12.215 ( -1.428 -4.823 0.741) 5.084 12.269 ( -6.240 2.427 0.270) 6.701 12.398 ( 0.950 2.890 -5.794) 6.544 12.814 ( -1.319 2.823 -0.545) 3.163 13.052 ( 1.269 -4.746 4.123) 6.413 13.303 ( 3.592 -2.802 1.805) 4.900 13.416 ( 4.208 -3.079 -2.556) 5.807 13.508 ( 0.529 -2.971 0.249) 3.028 13.754 ( 0.942 -1.197 -0.855) 1.747 13.845 ( 2.472 3.832 0.797) 4.629 14.064 ( -9.626 0.351 -4.485) 10.625 14.169 ( 0.990 7.404 -0.996) 7.536 14.359 ( -2.875 -2.268 3.132) 4.819 14.394 ( -3.478 -6.282 5.719) 9.180 14.504 ( -0.992 1.595 2.040) 2.773 14.642 ( -0.613 -3.884 -1.365) 4.162 14.872 ( -3.321 -1.307 -3.248) 4.826 14.918 ( -4.220 2.991 -1.505) 5.387 14.995 ( -3.527 2.825 -1.219) 4.680 15.118 ( -4.085 1.987 2.207) 5.051 15.159 ( -0.932 0.153 0.446) 1.044 15.388 ( 2.658 -2.719 2.875) 4.767 15.520 ( -5.845 -4.312 -0.109) 7.265 15.611 ( -7.750 -1.031 -4.532) 9.037 15.813 ( 0.636 1.732 0.890) 2.048 15.898 ( -3.972 0.149 3.292) 5.161 16.129 ( 0.884 -5.525 3.458) 6.578 16.323 ( -3.097 1.820 -3.830) 5.251 16.432 ( 1.506 0.970 -0.338) 1.823 16.603 ( -1.378 -1.351 -3.789) 4.253 16.721 ( -5.441 3.636 -0.209) 6.547 16.789 ( 4.290 4.937 5.364) 8.459 17.005 ( 6.450 6.539 -2.373) 9.487 17.100 ( 4.116 -0.728 3.128) 5.221 17.293 ( 1.780 -4.114 -0.586) 4.520 17.430 ( -2.106 -1.633 -1.701) 3.162 17.970 ( 8.136 9.918 0.026) 12.828 18.340 ( 11.873 2.468 0.800) 12.153 18.467 ( 4.270 19.041 2.295) 19.648 18.753 ( 10.080 7.114 -8.237) 14.835 18.992 ( 11.355 -9.668 -3.485) 15.315 19.383 ( -3.747 -8.478 -1.951) 9.472 20.348 ( -11.283 -17.772 7.995) 22.518 ======================= Grid point 25 (25/72) ======================= q-point: ( 0.07 -0.07 -0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( -24.924 0.000 -0.000) 24.924 0.629 ( -30.879 0.000 -0.000) 30.879 1.091 ( -51.839 0.000 -0.000) 51.839 1.430 ( -4.185 0.000 -0.000) 4.185 1.966 ( -7.716 0.000 -0.000) 7.716 1.977 ( -0.343 0.000 -0.000) 0.343 1.981 ( -2.353 0.000 -0.000) 2.353 2.460 ( 1.555 -0.000 0.000) 1.555 2.788 ( 5.923 -0.000 0.000) 5.923 2.802 ( 1.730 -0.000 0.000) 1.730 2.870 ( 1.330 -0.000 0.000) 1.330 3.323 ( -4.855 0.000 -0.000) 4.855 3.502 ( 4.781 -0.000 0.000) 4.781 3.582 ( -0.356 0.000 -0.000) 0.356 3.922 ( -9.703 0.000 -0.000) 9.703 4.275 ( 2.175 -0.000 0.000) 2.175 4.505 ( 5.123 -0.000 0.000) 5.123 5.376 ( -2.738 0.000 -0.000) 2.738 5.540 ( 7.541 -0.000 0.000) 7.541 5.830 ( -1.268 0.000 -0.000) 1.268 6.319 ( 6.419 -0.000 0.000) 6.419 6.540 ( 5.337 -0.000 0.000) 5.337 6.609 ( 5.943 -0.000 0.000) 5.943 6.704 ( -3.202 0.000 -0.000) 3.202 6.731 ( 8.735 -0.000 0.000) 8.735 6.986 ( -4.536 0.000 -0.000) 4.536 7.049 ( 1.107 -0.000 0.000) 1.107 7.184 ( -2.884 0.000 -0.000) 2.884 7.262 ( 3.426 -0.000 0.000) 3.426 7.364 ( 1.818 -0.000 0.000) 1.818 7.550 ( -0.355 0.000 -0.000) 0.355 7.738 ( -18.298 0.000 -0.000) 18.298 7.805 ( 3.458 -0.000 0.000) 3.458 8.060 ( 3.535 -0.000 0.000) 3.535 8.245 ( -3.894 0.000 -0.000) 3.894 8.269 ( -6.572 0.000 -0.000) 6.572 8.618 ( -2.685 0.000 -0.000) 2.685 8.650 ( -7.878 0.000 -0.000) 7.878 8.867 ( -17.194 0.000 -0.000) 17.194 9.025 ( -2.112 0.000 -0.000) 2.112 9.178 ( 11.210 -0.000 0.000) 11.210 9.179 ( -7.334 0.000 -0.000) 7.334 9.346 ( 5.520 -0.000 0.000) 5.520 9.421 ( 16.472 -0.000 0.000) 16.472 9.849 ( -12.234 0.000 -0.000) 12.234 10.150 ( -19.933 0.000 -0.000) 19.933 10.194 ( 7.555 -0.000 0.000) 7.555 10.254 ( 13.544 -0.000 0.000) 13.544 10.361 ( 6.419 -0.000 0.000) 6.419 10.648 ( 0.393 -0.000 0.000) 0.393 11.232 ( -0.338 0.000 -0.000) 0.338 11.495 ( -0.543 0.000 -0.000) 0.543 11.568 ( 13.736 -0.000 0.000) 13.736 11.960 ( -3.717 0.000 -0.000) 3.717 12.015 ( 10.097 -0.000 0.000) 10.097 12.109 ( -0.961 0.000 -0.000) 0.961 12.330 ( 21.700 -0.000 0.000) 21.700 12.401 ( -10.385 0.000 -0.000) 10.385 12.750 ( 16.595 -0.000 0.000) 16.595 12.873 ( 1.208 -0.000 0.000) 1.208 12.886 ( -3.924 0.000 -0.000) 3.924 13.045 ( -2.375 0.000 -0.000) 2.375 13.292 ( -9.059 0.000 -0.000) 9.059 13.664 ( -1.445 0.000 -0.000) 1.445 13.723 ( -5.944 0.000 -0.000) 5.944 13.782 ( 0.704 -0.000 0.000) 0.704 13.877 ( -2.578 0.000 -0.000) 2.578 14.002 ( -6.692 0.000 -0.000) 6.692 14.323 ( 4.896 -0.000 0.000) 4.896 14.671 ( 8.867 -0.000 0.000) 8.867 14.770 ( 3.256 -0.000 0.000) 3.256 14.863 ( 2.166 -0.000 0.000) 2.166 14.881 ( 4.363 -0.000 0.000) 4.363 14.986 ( -2.221 0.000 -0.000) 2.221 15.011 ( 7.118 -0.000 0.000) 7.118 15.031 ( 7.703 -0.000 0.000) 7.703 15.315 ( -4.981 0.000 -0.000) 4.981 15.370 ( 4.483 -0.000 0.000) 4.483 15.454 ( 3.304 -0.000 0.000) 3.304 15.551 ( -3.644 0.000 -0.000) 3.644 15.767 ( -5.529 0.000 -0.000) 5.529 15.851 ( 1.692 -0.000 0.000) 1.692 16.335 ( -2.992 0.000 -0.000) 2.992 16.429 ( -0.142 0.000 -0.000) 0.142 16.485 ( 0.569 -0.000 0.000) 0.569 16.592 ( 11.731 -0.000 0.000) 11.731 16.635 ( -0.833 0.000 -0.000) 0.833 16.704 ( -1.457 0.000 -0.000) 1.457 16.861 ( -6.716 0.000 -0.000) 6.716 17.000 ( -7.328 0.000 -0.000) 7.328 17.389 ( 1.274 -0.000 0.000) 1.274 17.393 ( -3.472 0.000 -0.000) 3.472 17.395 ( 4.160 -0.000 0.000) 4.160 17.879 ( 1.292 -0.000 0.000) 1.292 18.142 ( -7.112 0.000 -0.000) 7.112 18.695 ( -5.325 0.000 -0.000) 5.325 19.722 ( 2.352 -0.000 0.000) 2.352 20.187 ( 4.120 -0.000 0.000) 4.120 20.360 ( -2.858 0.000 -0.000) 2.858 ======================= Grid point 26 (26/72) ======================= q-point: (-0.43 -0.07 -0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -7.383 0.000 0.000) 7.383 1.583 ( -7.010 0.000 0.000) 7.010 1.648 ( -12.022 0.000 0.000) 12.022 1.796 ( -0.104 0.000 -0.000) 0.104 1.899 ( -3.596 0.000 -0.000) 3.596 2.153 ( 4.355 0.000 0.000) 4.355 2.288 ( -3.127 0.000 0.000) 3.127 2.494 ( 5.300 0.000 0.000) 5.300 2.718 ( 1.346 0.000 0.000) 1.346 2.871 ( -2.548 0.000 0.000) 2.548 3.025 ( -5.684 0.000 0.000) 5.684 3.291 ( 0.773 0.000 0.000) 0.773 3.303 ( -0.862 0.000 0.000) 0.862 3.377 ( -4.339 0.000 -0.000) 4.339 4.171 ( 5.016 0.000 0.000) 5.016 4.783 ( 0.655 0.000 -0.000) 0.655 4.906 ( 0.699 0.000 0.000) 0.699 5.208 ( 2.149 0.000 0.000) 2.149 5.429 ( -1.123 -0.000 0.000) 1.123 5.745 ( -4.263 0.000 0.000) 4.263 6.092 ( 0.562 0.000 0.000) 0.562 6.279 ( 2.765 0.000 0.000) 2.765 6.441 ( 9.667 0.000 0.000) 9.667 6.647 ( 1.564 0.000 0.000) 1.564 6.909 ( 4.988 0.000 -0.000) 4.988 6.989 ( 2.294 0.000 0.000) 2.294 7.085 ( -4.200 -0.000 0.000) 4.200 7.123 ( -0.271 0.000 0.000) 0.271 7.201 ( 8.986 -0.000 0.000) 8.986 7.301 ( -6.380 0.000 0.000) 6.380 7.512 ( -0.833 -0.000 0.000) 0.833 7.516 ( -9.644 0.000 -0.000) 9.644 7.770 ( -17.529 0.000 0.000) 17.529 7.979 ( -10.716 0.000 0.000) 10.716 8.187 ( 4.943 0.000 0.000) 4.943 8.424 ( 10.556 -0.000 -0.000) 10.556 8.474 ( -2.034 0.000 0.000) 2.034 8.698 ( 0.742 0.000 0.000) 0.742 8.846 ( 8.685 -0.000 0.000) 8.685 8.945 ( -7.201 0.000 0.000) 7.201 9.231 ( -9.179 0.000 0.000) 9.179 9.366 ( -8.573 0.000 0.000) 8.573 9.473 ( 1.628 0.000 0.000) 1.628 9.618 ( 9.076 0.000 -0.000) 9.076 9.811 ( -1.323 0.000 0.000) 1.323 9.941 ( -1.253 0.000 0.000) 1.253 10.467 ( 2.162 0.000 0.000) 2.162 10.629 ( -3.447 0.000 0.000) 3.447 10.690 ( 17.111 0.000 0.000) 17.111 11.005 ( 10.009 0.000 0.000) 10.009 11.092 ( 6.264 -0.000 -0.000) 6.264 11.544 ( 3.762 0.000 0.000) 3.762 11.587 ( -14.408 0.000 0.000) 14.408 11.702 ( 9.341 0.000 0.000) 9.341 11.990 ( -3.849 0.000 0.000) 3.849 12.118 ( 0.896 0.000 0.000) 0.896 12.265 ( 8.236 0.000 0.000) 8.236 12.413 ( 5.818 0.000 0.000) 5.818 12.689 ( 10.172 0.000 0.000) 10.172 12.840 ( 1.080 0.000 0.000) 1.080 12.892 ( 1.522 0.000 0.000) 1.522 13.237 ( -0.971 -0.000 0.000) 0.971 13.320 ( -6.963 0.000 -0.000) 6.963 13.328 ( -5.537 -0.000 0.000) 5.537 13.797 ( 1.032 0.000 0.000) 1.032 13.806 ( -2.959 -0.000 -0.000) 2.959 14.084 ( -6.959 0.000 0.000) 6.959 14.368 ( 5.745 0.000 0.000) 5.745 14.402 ( 6.007 0.000 -0.000) 6.007 14.516 ( 2.459 0.000 0.000) 2.459 14.529 ( 8.125 0.000 -0.000) 8.125 14.558 ( 3.827 -0.000 0.000) 3.827 14.947 ( 1.709 0.000 0.000) 1.709 14.973 ( -0.550 0.000 0.000) 0.550 15.129 ( -5.240 0.000 0.000) 5.240 15.157 ( 4.382 -0.000 0.000) 4.382 15.204 ( -2.057 0.000 -0.000) 2.057 15.261 ( 7.508 0.000 0.000) 7.508 15.615 ( 11.119 0.000 0.000) 11.119 15.677 ( -7.725 0.000 0.000) 7.725 15.813 ( -0.422 0.000 0.000) 0.422 15.976 ( 11.159 0.000 0.000) 11.159 16.072 ( 2.000 0.000 -0.000) 2.000 16.428 ( 2.444 0.000 0.000) 2.444 16.543 ( 4.911 0.000 0.000) 4.911 16.683 ( 4.813 0.000 0.000) 4.813 16.724 ( -5.499 0.000 0.000) 5.499 16.859 ( -8.913 -0.000 0.000) 8.913 16.894 ( 9.754 0.000 -0.000) 9.754 16.990 ( -8.382 0.000 0.000) 8.382 17.099 ( -5.379 0.000 -0.000) 5.379 17.460 ( -5.367 0.000 0.000) 5.367 17.934 ( -23.383 0.000 0.000) 23.383 17.941 ( 2.290 -0.000 -0.000) 2.290 18.505 ( -10.226 0.000 0.000) 10.226 18.801 ( -0.870 0.000 -0.000) 0.870 18.913 ( -4.165 -0.000 -0.000) 4.165 19.617 ( 5.725 0.000 0.000) 5.725 20.058 ( 6.941 0.000 0.000) 6.941 ======================= Grid point 28 (27/72) ======================= q-point: ( 0.24 -0.49 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -2.221 8.643 1.136) 8.995 1.797 ( -0.828 1.930 -0.215) 2.112 1.802 ( -4.899 0.490 -2.960) 5.745 1.915 ( 7.286 -0.215 4.781) 8.717 2.095 ( 2.927 -0.687 -1.010) 3.172 2.285 ( -2.228 -6.888 2.036) 7.520 2.521 ( 7.173 2.568 0.442) 7.631 2.604 ( 0.988 0.086 6.585) 6.659 2.664 ( -6.990 1.064 1.801) 7.297 2.757 ( -2.074 3.087 2.172) 4.307 3.008 ( 0.379 1.451 -4.387) 4.636 3.176 ( 3.922 -1.996 -11.499) 12.312 3.398 ( -1.164 0.254 2.032) 2.356 3.576 ( -1.236 -3.003 4.792) 5.789 4.060 ( 2.679 -2.353 -2.863) 4.573 4.362 ( 3.463 10.129 -0.052) 10.705 4.579 ( -7.540 7.412 5.449) 11.894 5.205 ( 3.357 1.578 -14.911) 15.366 5.655 ( -2.518 -6.019 -0.990) 6.599 5.858 ( -0.681 -0.123 -1.565) 1.711 5.975 ( 2.935 -5.129 -1.278) 6.046 6.131 ( -3.682 5.347 9.092) 11.172 6.296 ( -5.033 2.764 2.368) 6.211 6.354 ( 3.830 6.800 -0.075) 7.805 6.675 ( -1.462 -4.655 4.908) 6.920 6.969 ( 3.714 0.504 0.191) 3.752 7.153 ( 3.018 -6.843 -3.216) 8.141 7.305 ( -3.154 1.355 -3.101) 4.626 7.456 ( 3.552 -3.072 -1.453) 4.916 7.614 ( -0.254 -0.828 -4.803) 4.880 7.745 ( -1.816 -5.410 2.227) 6.126 7.914 ( -5.767 -1.674 2.809) 6.629 8.019 ( -6.764 1.392 0.508) 6.924 8.119 ( -3.495 2.007 -0.476) 4.058 8.301 ( 12.280 -1.067 -0.446) 12.335 8.354 ( -0.214 -0.666 -1.167) 1.360 8.519 ( 2.442 -5.469 -0.539) 6.014 8.750 ( 2.584 -0.788 6.296) 6.851 8.948 ( 7.624 -14.191 -1.400) 16.170 9.111 ( -4.782 -7.152 -2.065) 8.848 9.215 ( 5.901 1.553 2.001) 6.421 9.410 ( -3.705 -1.067 3.138) 4.971 9.534 ( -9.216 0.484 -0.295) 9.234 9.742 ( -7.401 2.301 -0.295) 7.756 9.824 ( 4.118 6.816 -1.686) 8.140 10.017 ( 0.135 3.814 5.359) 6.579 10.105 ( -2.184 7.601 1.209) 8.000 10.246 ( -1.264 2.299 -1.180) 2.877 10.415 ( 5.124 5.376 4.737) 8.809 10.582 ( 16.235 6.618 -4.595) 18.124 10.691 ( -16.737 0.772 -3.917) 17.206 11.261 ( 2.025 3.157 -0.696) 3.815 11.398 ( -9.406 2.217 0.421) 9.673 11.566 ( -11.396 -6.674 -0.119) 13.207 11.839 ( -7.322 5.273 3.412) 9.647 12.067 ( 0.731 -1.393 -4.712) 4.967 12.150 ( 2.885 0.474 0.251) 2.934 12.245 ( 0.504 0.413 2.679) 2.757 12.589 ( 8.483 -4.056 -2.536) 9.738 12.762 ( 1.258 1.549 -0.351) 2.026 13.067 ( -5.528 -1.005 2.607) 6.195 13.422 ( -4.203 -3.871 -1.353) 5.872 13.477 ( 1.313 -3.505 1.691) 4.107 13.630 ( 1.469 -4.071 -6.376) 7.707 13.758 ( 2.379 6.771 3.366) 7.927 13.827 ( 3.366 -1.701 0.203) 3.777 13.986 ( -0.359 -0.887 0.352) 1.020 14.147 ( 7.564 4.402 -1.192) 8.833 14.285 ( -6.144 -4.090 5.201) 9.030 14.391 ( -7.730 -2.747 2.534) 8.586 14.532 ( -1.130 -0.583 3.239) 3.480 14.683 ( 3.633 3.580 -1.558) 5.333 14.765 ( -5.708 1.418 -3.731) 6.965 14.819 ( -0.625 1.028 -1.609) 2.009 14.899 ( -0.778 1.093 -3.487) 3.736 15.046 ( -3.859 -4.640 1.392) 6.194 15.131 ( -1.527 -0.271 1.614) 2.239 15.455 ( -2.122 -3.174 0.413) 3.840 15.478 ( -5.642 -0.085 -1.507) 5.840 15.545 ( 1.329 -0.646 -1.130) 1.860 15.766 ( 1.625 2.816 1.847) 3.739 15.833 ( 0.252 0.649 0.565) 0.897 16.269 ( 1.612 -0.307 0.128) 1.646 16.318 ( 0.134 -1.605 -3.495) 3.849 16.433 ( -1.867 2.542 1.061) 3.328 16.594 ( 3.240 -2.606 -2.768) 4.995 16.624 ( -1.223 -1.550 -3.649) 4.149 16.764 ( 0.535 0.836 4.017) 4.138 16.957 ( 1.832 4.267 7.003) 8.402 17.176 ( 4.113 2.432 -0.818) 4.848 17.290 ( -2.374 3.366 1.405) 4.352 17.455 ( -1.531 -3.965 -3.593) 5.565 17.852 ( 2.386 15.321 1.574) 15.585 17.967 ( 0.339 12.323 -5.014) 13.309 18.377 ( 0.734 6.362 10.272) 12.104 18.986 ( 5.946 -1.874 -9.033) 10.976 19.401 ( 8.176 -7.828 -4.463) 12.167 19.606 ( 5.295 -9.320 1.116) 10.777 20.493 ( -8.364 -13.692 4.402) 16.637 ======================= Grid point 29 (28/72) ======================= q-point: (-0.26 0.51 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 3.545 -7.780 0.784) 8.585 1.708 ( 4.116 -3.661 4.611) 7.184 1.795 ( 8.223 -2.416 3.160) 9.134 1.949 ( 3.230 2.061 -1.574) 4.142 2.022 ( 1.656 2.380 1.409) 3.223 2.102 ( 1.013 1.054 0.924) 1.729 2.529 ( 8.085 -1.163 -3.222) 8.781 2.564 ( 1.218 1.034 -1.666) 2.309 2.646 ( -6.507 5.517 -4.333) 9.569 2.877 ( -0.259 -5.399 1.014) 5.500 3.170 ( -3.255 -3.184 3.218) 5.576 3.232 ( -5.320 0.416 3.057) 6.150 3.336 ( 3.807 2.155 -2.178) 4.887 3.471 ( 10.590 -7.668 0.979) 13.111 4.040 ( -3.929 3.553 -0.934) 5.379 4.579 ( 5.568 -7.065 0.514) 9.010 4.639 ( -2.768 -8.951 2.427) 9.678 5.283 ( -2.076 1.414 7.707) 8.106 5.477 ( 1.305 6.813 2.803) 7.482 5.910 ( -3.257 -3.093 1.004) 4.602 6.009 ( -0.714 1.925 -0.853) 2.224 6.243 ( -4.221 -7.693 -6.240) 10.767 6.285 ( -2.131 -1.108 -6.856) 7.264 6.485 ( 3.253 2.166 -2.926) 4.882 6.679 ( -8.127 -5.403 -0.134) 9.759 6.927 ( 2.367 12.136 -5.849) 13.678 7.017 ( -1.334 5.109 3.798) 6.505 7.198 ( 1.644 4.334 4.361) 6.365 7.495 ( 1.849 1.062 2.533) 3.310 7.547 ( 1.856 -6.567 0.849) 6.876 7.627 ( 5.522 3.471 -0.551) 6.545 7.789 ( 6.027 -0.232 9.822) 11.526 8.023 ( -2.357 -2.684 -1.240) 3.781 8.118 ( 1.051 6.647 -0.541) 6.752 8.144 ( 1.925 1.847 0.864) 2.805 8.293 ( -0.626 3.925 -2.094) 4.492 8.556 ( -5.463 2.699 1.111) 6.194 8.737 ( 0.081 3.215 -7.324) 7.999 8.815 ( -1.076 1.612 -1.821) 2.660 9.106 ( 7.757 1.465 8.592) 11.668 9.279 ( -6.334 0.326 -5.542) 8.423 9.319 ( 12.433 -1.322 -1.475) 12.590 9.453 ( 1.114 -3.522 1.371) 3.941 9.665 ( -6.280 -1.843 4.257) 7.807 9.875 ( 0.113 4.688 -4.250) 6.329 10.058 ( 7.196 -3.653 1.101) 8.145 10.269 ( -4.500 -4.057 -0.792) 6.111 10.346 ( -3.137 -5.310 -2.369) 6.607 10.440 ( 4.499 -9.423 2.763) 10.801 10.827 ( -6.443 0.673 -3.432) 7.331 10.960 ( 2.651 -5.538 -3.593) 7.114 11.211 ( -9.750 2.946 2.133) 10.406 11.404 ( -7.460 -1.465 2.950) 8.155 11.457 ( -6.635 1.192 -0.163) 6.743 11.901 ( 1.483 -7.851 1.224) 8.083 12.050 ( -0.311 -0.307 2.396) 2.435 12.156 ( 0.111 3.226 -0.922) 3.357 12.237 ( -0.969 0.882 -0.898) 1.588 12.572 ( -2.055 6.547 0.272) 6.867 12.828 ( -3.206 -0.044 -1.836) 3.695 12.990 ( 5.008 -2.650 -1.763) 5.934 13.257 ( 3.713 2.152 1.858) 4.676 13.456 ( 0.466 1.181 1.755) 2.166 13.555 ( 4.711 -0.257 3.883) 6.111 13.783 ( 0.709 1.663 -2.362) 2.974 13.969 ( -6.746 -2.001 -2.084) 7.339 14.009 ( -5.289 3.452 1.308) 6.450 14.074 ( 2.645 2.872 -1.083) 4.052 14.287 ( -4.905 -1.043 -5.928) 7.765 14.340 ( -1.615 -0.627 -0.320) 1.762 14.484 ( 4.019 -0.186 -0.827) 4.108 14.716 ( 3.966 1.108 1.537) 4.395 14.774 ( 0.133 0.618 3.750) 3.803 14.896 ( -4.218 0.472 -1.125) 4.391 14.940 ( -4.463 -3.677 1.309) 5.929 14.978 ( -3.629 -2.370 3.164) 5.366 15.105 ( 1.437 -1.329 -2.211) 2.952 15.354 ( 0.850 2.682 0.952) 2.970 15.400 ( -1.388 0.840 5.060) 5.314 15.533 ( 2.385 1.493 -0.837) 2.936 15.832 ( -0.118 -1.048 -0.636) 1.231 15.887 ( -0.507 -3.989 -3.318) 5.214 16.135 ( 2.618 7.276 0.666) 7.761 16.303 ( -3.260 1.285 0.492) 3.539 16.502 ( 0.413 -1.427 -1.647) 2.218 16.599 ( -0.230 1.520 2.160) 2.651 16.633 ( -4.244 -0.600 0.246) 4.293 16.863 ( 0.034 -6.775 -5.188) 8.533 17.109 ( 2.413 -4.207 -1.420) 5.054 17.155 ( 2.012 1.374 -1.292) 2.758 17.295 ( 3.866 -0.625 1.592) 4.227 17.372 ( -3.082 1.882 5.389) 6.487 18.143 ( 7.854 -10.417 -1.541) 13.137 18.271 ( 0.322 -15.644 2.827) 15.900 18.619 ( 2.572 -16.157 -5.532) 17.271 18.968 ( 3.944 1.399 6.355) 7.609 19.333 ( -6.432 9.252 -0.347) 11.274 19.461 ( -5.492 14.622 -3.696) 16.050 19.961 ( 4.411 19.542 -0.848) 20.052 ======================= Grid point 30 (29/72) ======================= q-point: ( 0.42 0.08 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 0.000 7.571 18.828) 20.293 1.369 ( 0.000 7.415 12.787) 14.782 1.564 ( -0.000 -1.291 -2.609) 2.911 1.760 ( 0.000 3.762 -0.394) 3.782 1.952 ( -0.000 -6.098 -2.966) 6.781 2.181 ( 0.000 2.967 6.977) 7.582 2.186 ( 0.000 3.460 1.317) 3.702 2.472 ( 0.000 10.652 8.810) 13.823 2.699 ( 0.000 4.723 -6.036) 7.664 2.855 ( -0.000 -9.714 -6.931) 11.933 3.048 ( -0.000 -3.644 0.299) 3.656 3.202 ( 0.000 3.234 12.484) 12.896 3.316 ( -0.000 -1.242 0.332) 1.285 3.429 ( -0.000 -3.676 -5.012) 6.216 4.237 ( -0.000 -0.921 -1.527) 1.783 4.428 ( 0.000 21.341 -0.508) 21.347 4.812 ( 0.000 7.401 3.555) 8.211 5.507 ( -0.000 -5.626 4.189) 7.014 5.620 ( -0.000 2.833 -14.310) 14.588 5.662 ( -0.000 -27.097 2.381) 27.202 6.166 ( 0.000 2.186 0.072) 2.187 6.245 ( -0.000 -2.463 3.938) 4.645 6.622 ( 0.000 4.097 -0.805) 4.175 6.668 ( -0.000 -4.533 -7.336) 8.624 6.806 ( 0.000 12.603 -6.861) 14.349 6.960 ( 0.000 3.098 4.268) 5.274 7.062 ( -0.000 -3.560 -2.123) 4.146 7.118 ( -0.000 -6.851 -12.484) 14.240 7.179 ( 0.000 3.040 2.205) 3.756 7.296 ( 0.000 0.891 -0.701) 1.134 7.438 ( 0.000 2.308 -2.290) 3.251 7.660 ( -0.000 -11.837 13.659) 18.074 7.830 ( -0.000 -13.918 8.078) 16.093 7.866 ( -0.000 -5.110 -0.820) 5.175 8.323 ( -0.000 -6.248 -2.425) 6.702 8.394 ( 0.000 4.910 3.463) 6.008 8.554 ( 0.000 3.556 -1.206) 3.755 8.597 ( 0.000 13.058 0.660) 13.075 8.675 ( 0.000 1.155 0.066) 1.157 8.971 ( -0.000 -4.271 -1.498) 4.527 9.256 ( -0.000 0.572 -3.030) 3.084 9.375 ( -0.000 -11.551 -3.966) 12.213 9.381 ( 0.000 4.304 1.375) 4.519 9.736 ( -0.000 -2.374 3.657) 4.360 9.864 ( 0.000 -4.574 10.616) 11.559 10.042 ( -0.000 -7.634 -1.594) 7.799 10.390 ( 0.000 11.234 -2.972) 11.621 10.482 ( 0.000 6.260 9.095) 11.041 10.993 ( -0.000 -0.007 -6.069) 6.069 11.045 ( 0.000 2.700 5.456) 6.087 11.192 ( -0.000 -2.525 0.692) 2.618 11.309 ( -0.000 0.620 -3.647) 3.700 11.585 ( 0.000 3.054 3.696) 4.794 11.756 ( 0.000 11.126 -8.022) 13.716 11.860 ( -0.000 -1.594 -2.951) 3.354 12.191 ( -0.000 -3.535 -1.766) 3.951 12.358 ( 0.000 -0.770 2.706) 2.814 12.465 ( -0.000 -1.533 2.291) 2.756 12.831 ( -0.000 -0.724 -1.780) 1.922 12.882 ( 0.000 1.309 3.261) 3.514 12.961 ( -0.000 -1.593 -4.177) 4.471 13.007 ( 0.000 5.157 -4.547) 6.875 13.269 ( 0.000 0.704 0.397) 0.808 13.487 ( -0.000 -12.777 7.213) 14.673 13.764 ( 0.000 1.242 1.296) 1.795 13.802 ( -0.000 0.430 -3.191) 3.220 14.024 ( 0.000 -1.977 6.462) 6.758 14.259 ( 0.000 8.711 -0.120) 8.712 14.420 ( -0.000 0.858 -6.359) 6.416 14.627 ( -0.000 -0.747 -1.588) 1.755 14.644 ( -0.000 -4.115 -2.645) 4.892 14.718 ( -0.000 -6.035 1.397) 6.195 14.964 ( 0.000 0.041 1.163) 1.163 15.000 ( -0.000 -2.479 0.054) 2.479 15.047 ( 0.000 1.062 -0.145) 1.072 15.165 ( 0.000 0.827 -0.681) 1.071 15.216 ( -0.000 -0.935 0.007) 0.935 15.334 ( 0.000 1.801 3.038) 3.531 15.559 ( 0.000 1.270 0.401) 1.332 15.786 ( -0.000 -0.580 -1.793) 1.884 15.861 ( -0.000 -5.927 9.258) 10.993 16.046 ( 0.000 2.870 -2.987) 4.142 16.079 ( 0.000 0.032 1.781) 1.782 16.478 ( 0.000 -0.352 0.963) 1.025 16.557 ( 0.000 6.001 -3.289) 6.843 16.589 ( 0.000 0.657 1.365) 1.515 16.748 ( 0.000 0.190 1.643) 1.654 16.811 ( -0.000 -0.112 -0.349) 0.367 16.836 ( -0.000 1.517 -3.150) 3.496 17.034 ( 0.000 -2.086 5.454) 5.839 17.118 ( -0.000 -1.164 -5.321) 5.447 17.394 ( -0.000 -0.638 -2.703) 2.777 17.621 ( 0.000 -0.626 6.258) 6.289 18.035 ( -0.000 -2.316 3.910) 4.545 18.200 ( 0.000 13.949 1.648) 14.046 18.670 ( 0.000 8.449 -4.910) 9.772 18.902 ( -0.000 5.865 -16.636) 17.640 19.568 ( -0.000 0.420 -5.317) 5.334 20.378 ( -0.000 -16.733 12.531) 20.905 ======================= Grid point 31 (30/72) ======================= q-point: (-0.08 0.08 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( -0.000 -24.539 -0.000) 24.539 0.555 ( -0.000 -26.388 -0.000) 26.388 0.931 ( -0.000 -42.354 -0.000) 42.354 1.514 ( -0.000 -8.529 -0.000) 8.529 1.764 ( -0.000 -3.342 -0.000) 3.342 1.952 ( 0.000 0.594 0.000) 0.594 2.219 ( 0.000 1.707 0.000) 1.707 2.449 ( 0.000 2.475 0.000) 2.475 2.814 ( 0.000 3.377 0.000) 3.377 2.888 ( -0.000 -0.398 -0.000) 0.398 2.907 ( -0.000 -6.519 -0.000) 6.519 3.195 ( 0.000 6.234 0.000) 6.234 3.396 ( 0.000 8.992 0.000) 8.992 3.551 ( 0.000 0.949 0.000) 0.949 4.060 ( -0.000 -16.943 -0.000) 16.943 4.295 ( -0.000 -0.097 -0.000) 0.097 4.603 ( -0.000 -3.500 -0.000) 3.500 5.243 ( 0.000 6.680 0.000) 6.680 5.746 ( -0.000 -9.392 -0.000) 9.392 5.899 ( -0.000 -2.480 -0.000) 2.480 6.092 ( 0.000 22.181 0.000) 22.181 6.572 ( 0.000 5.684 0.000) 5.684 6.591 ( -0.000 -1.972 -0.000) 1.972 6.716 ( -0.000 -9.548 -0.000) 9.548 6.964 ( -0.000 -6.601 -0.000) 6.601 6.993 ( 0.000 0.236 0.000) 0.236 7.091 ( 0.000 3.384 0.000) 3.384 7.254 ( 0.000 2.702 0.000) 2.702 7.312 ( -0.000 -0.834 -0.000) 0.834 7.496 ( -0.000 -1.417 -0.000) 1.417 7.517 ( 0.000 3.286 0.000) 3.286 7.600 ( 0.000 8.390 0.000) 8.390 7.833 ( 0.000 3.480 0.000) 3.480 7.927 ( 0.000 8.561 0.000) 8.561 8.332 ( -0.000 -0.093 -0.000) 0.093 8.413 ( -0.000 -8.431 -0.000) 8.431 8.438 ( 0.000 7.004 0.000) 7.004 8.617 ( 0.000 3.250 0.000) 3.250 8.619 ( -0.000 -2.058 -0.000) 2.058 8.967 ( 0.000 2.958 0.000) 2.958 9.154 ( -0.000 -6.146 -0.000) 6.146 9.302 ( 0.000 0.050 0.000) 0.050 9.464 ( -0.000 -0.081 -0.000) 0.081 9.480 ( 0.000 6.323 0.000) 6.323 9.771 ( -0.000 -4.237 -0.000) 4.237 9.944 ( -0.000 -10.078 -0.000) 10.078 10.319 ( 0.000 8.700 0.000) 8.700 10.455 ( -0.000 -15.164 -0.000) 15.164 10.466 ( 0.000 2.015 0.000) 2.015 11.106 ( -0.000 -2.661 -0.000) 2.661 11.217 ( 0.000 0.994 0.000) 0.994 11.493 ( 0.000 1.782 0.000) 1.782 11.502 ( -0.000 -1.197 -0.000) 1.197 11.885 ( -0.000 -4.319 -0.000) 4.319 12.058 ( 0.000 1.178 0.000) 1.178 12.145 ( -0.000 -2.134 -0.000) 2.134 12.356 ( -0.000 -1.724 -0.000) 1.724 12.514 ( 0.000 8.289 0.000) 8.289 12.788 ( -0.000 -0.126 -0.000) 0.126 12.899 ( -0.000 -0.554 -0.000) 0.554 13.017 ( -0.000 -0.663 -0.000) 0.663 13.082 ( 0.000 0.595 0.000) 0.595 13.165 ( -0.000 -3.274 -0.000) 3.274 13.528 ( 0.000 9.391 0.000) 9.391 13.684 ( -0.000 -1.399 -0.000) 1.399 13.711 ( 0.000 5.269 0.000) 5.269 13.919 ( -0.000 -6.781 -0.000) 6.781 14.047 ( -0.000 -8.096 -0.000) 8.096 14.713 ( 0.000 0.890 0.000) 0.890 14.750 ( 0.000 4.603 0.000) 4.603 14.757 ( 0.000 3.455 0.000) 3.455 14.905 ( -0.000 -0.644 -0.000) 0.644 14.922 ( -0.000 -1.387 -0.000) 1.387 14.969 ( 0.000 10.820 0.000) 10.820 15.062 ( -0.000 -5.569 -0.000) 5.569 15.182 ( -0.000 -0.063 -0.000) 0.063 15.198 ( -0.000 -1.815 -0.000) 1.815 15.234 ( 0.000 1.050 0.000) 1.050 15.506 ( -0.000 -1.277 -0.000) 1.277 15.521 ( -0.000 -1.444 -0.000) 1.444 15.861 ( 0.000 0.928 0.000) 0.928 16.014 ( 0.000 -5.549 -0.000) 5.549 16.014 ( 0.000 -2.801 -0.000) 2.801 16.442 ( -0.000 -0.880 -0.000) 0.880 16.534 ( -0.000 -4.184 -0.000) 4.184 16.605 ( -0.000 -0.838 -0.000) 0.838 16.607 ( 0.000 4.162 0.000) 4.162 16.839 ( -0.000 -5.030 -0.000) 5.030 16.850 ( -0.000 -4.444 -0.000) 4.444 16.879 ( 0.000 3.143 0.000) 3.143 17.366 ( 0.000 2.290 0.000) 2.290 17.384 ( 0.000 5.503 0.000) 5.503 17.411 ( -0.000 -4.414 -0.000) 4.414 17.905 ( -0.000 -0.881 -0.000) 0.881 18.086 ( -0.000 -2.594 -0.000) 2.594 18.650 ( -0.000 -1.551 -0.000) 1.551 19.627 ( 0.000 10.501 0.000) 10.501 19.975 ( -0.000 -6.417 -0.000) 6.417 20.128 ( 0.000 9.391 0.000) 9.391 ======================= Grid point 32 (31/72) ======================= q-point: ( 0.59 -0.34 -0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -2.102 0.591 1.149) 2.467 1.752 ( -1.619 0.616 3.045) 3.503 1.897 ( -4.150 3.578 0.077) 5.480 1.909 ( -1.457 1.745 3.183) 3.912 1.985 ( 1.251 -1.400 -0.222) 1.890 2.089 ( -1.429 -0.290 0.300) 1.489 2.502 ( -1.098 -2.684 -6.190) 6.835 2.568 ( -4.955 1.570 -2.820) 5.914 2.589 ( 2.282 0.975 -0.775) 2.600 2.930 ( -1.054 -0.454 1.951) 2.263 3.181 ( -2.095 -2.850 2.665) 4.429 3.202 ( 0.044 -1.520 1.212) 1.944 3.338 ( 2.985 2.537 -2.300) 4.543 3.631 ( -6.390 2.899 1.789) 7.242 3.985 ( 3.488 -1.060 -2.168) 4.241 4.687 ( 2.343 2.503 0.411) 3.453 4.744 ( 2.345 0.237 3.427) 4.160 5.234 ( -3.106 -2.414 4.204) 5.758 5.420 ( -1.762 1.806 4.915) 5.525 5.942 ( -0.560 -3.031 -0.047) 3.083 5.970 ( 2.179 0.137 0.410) 2.222 6.281 ( -1.104 -2.339 -8.823) 9.194 6.312 ( 0.800 -0.109 -8.586) 8.623 6.535 ( 8.219 5.163 4.524) 10.709 6.710 ( -2.276 -1.433 -0.965) 2.858 6.769 ( 1.886 -3.868 -6.227) 7.569 6.937 ( 0.313 1.665 6.900) 7.105 7.133 ( -1.423 -0.281 5.350) 5.544 7.477 ( -0.038 -2.248 -2.515) 3.373 7.586 ( -1.781 0.973 -2.074) 2.902 7.691 ( -7.818 3.919 -2.060) 8.985 7.792 ( -7.299 1.226 9.354) 11.928 8.013 ( -0.680 1.421 1.118) 1.932 8.073 ( 3.190 2.825 -1.184) 4.423 8.176 ( 4.510 -5.328 -1.341) 7.108 8.216 ( 7.008 2.909 -0.627) 7.614 8.507 ( 0.353 -1.890 2.442) 3.108 8.688 ( -2.045 -1.065 -2.509) 3.407 8.793 ( 1.103 -1.143 -2.175) 2.693 9.060 ( -12.258 -2.250 7.678) 14.638 9.279 ( 4.708 0.083 -5.839) 7.501 9.360 ( -7.744 2.058 0.214) 8.016 9.540 ( -2.479 3.455 -1.902) 4.658 9.708 ( 11.897 2.056 2.220) 12.276 9.783 ( -1.177 -3.101 -3.628) 4.916 10.109 ( -6.911 1.780 0.416) 7.148 10.284 ( 7.678 -0.822 1.066) 7.795 10.413 ( 3.689 -0.749 -5.383) 6.568 10.605 ( -3.911 5.470 3.271) 7.478 10.765 ( -3.236 -5.514 -3.503) 7.290 10.972 ( -6.280 -5.862 3.339) 9.216 11.240 ( 12.201 6.593 -1.068) 13.910 11.363 ( 14.932 -2.202 -1.204) 15.142 11.486 ( 2.631 0.557 3.109) 4.110 12.027 ( -0.113 2.236 0.580) 2.313 12.051 ( 0.826 -3.783 0.740) 3.942 12.090 ( -1.800 2.331 0.263) 2.956 12.243 ( 1.909 0.608 -0.000) 2.003 12.461 ( -0.716 -2.438 1.202) 2.811 12.820 ( 1.645 -0.793 -1.671) 2.475 13.039 ( -2.188 1.471 -2.897) 3.917 13.245 ( -0.198 1.454 -0.513) 1.554 13.444 ( -2.099 -0.038 4.735) 5.179 13.586 ( -6.572 1.172 1.460) 6.834 13.738 ( 1.355 -1.107 -2.368) 2.945 13.921 ( 3.190 -1.684 3.615) 5.107 13.972 ( 3.942 -3.665 3.832) 6.607 14.085 ( 1.821 3.865 -7.856) 8.942 14.275 ( 1.176 -1.834 -1.508) 2.650 14.369 ( 6.401 1.344 -4.703) 8.056 14.489 ( -5.213 0.436 -1.589) 5.467 14.693 ( -5.852 -0.459 1.990) 6.198 14.774 ( 1.551 0.193 4.826) 5.073 14.919 ( 7.044 1.318 -1.173) 7.262 14.961 ( 3.062 -0.266 0.641) 3.139 15.014 ( 2.715 -0.266 2.589) 3.761 15.139 ( -0.084 0.378 -2.574) 2.603 15.325 ( 0.722 1.028 1.661) 2.082 15.401 ( 2.851 0.833 4.255) 5.189 15.517 ( -3.363 0.122 -0.515) 3.404 15.839 ( -0.392 -0.059 -1.027) 1.101 15.978 ( 3.078 -3.552 -6.097) 7.699 16.008 ( -3.699 3.538 1.953) 5.479 16.288 ( 2.738 -0.675 0.915) 2.965 16.502 ( -1.355 -0.607 -0.203) 1.499 16.574 ( -0.994 -0.610 1.605) 1.984 16.646 ( 4.649 0.305 -0.251) 4.666 16.956 ( -1.573 -1.176 -5.976) 6.291 17.097 ( -1.893 1.840 -3.297) 4.223 17.198 ( -1.740 -0.784 0.692) 2.031 17.291 ( -3.500 -0.050 3.680) 5.079 17.352 ( 3.384 0.389 4.949) 6.008 18.257 ( -5.209 -0.342 -3.332) 6.193 18.528 ( -6.740 4.937 4.341) 9.415 18.879 ( -3.967 -5.789 2.362) 7.405 18.934 ( -5.750 9.064 0.477) 10.745 19.102 ( -3.019 -11.107 -3.297) 11.973 19.223 ( 6.864 -5.808 3.958) 9.824 19.782 ( 7.190 7.621 -5.833) 11.992 ======================= Grid point 33 (32/72) ======================= q-point: ( 0.09 -0.34 -0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -7.982 0.000 -2.950) 8.509 1.630 ( -13.803 0.000 -5.945) 15.029 1.722 ( -3.910 0.000 -0.693) 3.971 1.989 ( -1.001 -0.000 3.041) 3.201 2.119 ( -1.736 0.000 -1.148) 2.081 2.184 ( -12.675 0.000 -2.524) 12.924 2.520 ( -8.515 -0.000 3.403) 9.170 2.555 ( 1.633 -0.000 2.222) 2.758 2.642 ( 9.181 -0.000 -0.724) 9.209 2.667 ( -4.565 0.000 0.179) 4.569 3.129 ( 7.246 0.000 -2.339) 7.615 3.187 ( -11.916 0.000 -3.644) 12.461 3.362 ( 5.060 0.000 -4.573) 6.820 3.598 ( -1.923 -0.000 3.828) 4.283 4.232 ( 5.261 -0.000 -0.496) 5.284 4.233 ( -0.347 0.000 -0.272) 0.441 4.333 ( -6.749 -0.000 2.271) 7.121 5.300 ( 7.658 0.000 -14.086) 16.033 5.664 ( -2.334 0.000 -5.560) 6.030 5.931 ( -5.935 -0.000 13.341) 14.601 5.966 ( 7.249 0.000 -3.707) 8.142 6.142 ( 7.245 -0.000 3.234) 7.934 6.224 ( 2.041 -0.000 1.609) 2.599 6.350 ( 4.911 -0.000 2.407) 5.469 6.720 ( -1.075 -0.000 7.868) 7.941 6.996 ( 1.366 -0.000 2.768) 3.087 7.220 ( 0.056 0.000 -3.733) 3.733 7.305 ( 0.644 0.000 -8.767) 8.791 7.491 ( -7.578 0.000 -5.763) 9.521 7.575 ( -5.698 0.000 -0.546) 5.724 7.688 ( -5.207 0.000 -4.751) 7.049 7.809 ( -0.911 0.000 -0.633) 1.109 7.937 ( 0.210 0.000 -0.338) 0.397 8.001 ( -4.691 0.000 -3.127) 5.638 8.449 ( 7.007 -0.000 6.939) 9.862 8.576 ( 7.525 -0.000 2.311) 7.872 8.635 ( -3.530 -0.000 9.641) 10.267 8.818 ( 9.373 -0.000 0.251) 9.376 8.963 ( -13.897 0.000 -2.054) 14.048 9.047 ( -8.614 0.000 0.900) 8.660 9.322 ( -6.349 0.000 -0.924) 6.416 9.355 ( -12.291 0.000 -8.197) 14.774 9.425 ( -0.333 0.000 -2.799) 2.818 9.695 ( 1.449 -0.000 3.480) 3.769 9.754 ( 20.002 -0.000 0.560) 20.009 9.847 ( -5.521 0.000 -4.217) 6.947 10.030 ( 0.005 -0.000 4.194) 4.194 10.203 ( -16.036 0.000 -2.407) 16.216 10.285 ( 9.218 -0.000 0.517) 9.233 10.771 ( -2.504 -0.000 7.867) 8.256 10.817 ( 22.524 -0.000 1.806) 22.596 11.218 ( -2.433 -0.000 0.739) 2.543 11.386 ( 15.119 0.000 -3.228) 15.460 11.591 ( -2.778 0.000 -2.220) 3.556 11.622 ( 4.707 0.000 -1.772) 5.029 12.115 ( -2.812 -0.000 0.400) 2.840 12.159 ( 0.280 0.000 -0.980) 1.019 12.272 ( 3.581 -0.000 3.253) 4.838 12.742 ( -1.300 -0.000 3.827) 4.042 12.778 ( 2.213 -0.000 0.600) 2.293 12.969 ( -2.005 0.000 -4.487) 4.915 13.327 ( -7.705 0.000 -5.412) 9.416 13.530 ( -3.489 0.000 -1.755) 3.906 13.642 ( -0.151 -0.000 5.159) 5.161 13.756 ( 1.902 0.000 -2.909) 3.476 13.925 ( 3.147 0.000 -4.365) 5.381 14.001 ( 0.787 -0.000 4.684) 4.750 14.132 ( -6.353 -0.000 4.976) 8.070 14.298 ( 2.937 -0.000 4.789) 5.618 14.392 ( -9.490 0.000 -1.265) 9.574 14.413 ( 9.641 0.000 -3.394) 10.221 14.648 ( 3.362 -0.000 4.782) 5.846 14.815 ( 3.002 0.000 -1.989) 3.601 14.845 ( 5.325 0.000 -2.434) 5.854 14.863 ( -1.395 0.000 -4.929) 5.123 15.089 ( -1.777 -0.000 3.571) 3.988 15.118 ( 3.313 0.000 -1.923) 3.831 15.434 ( -0.301 0.000 -2.229) 2.249 15.460 ( -1.697 0.000 -1.898) 2.546 15.589 ( 2.620 -0.000 -0.019) 2.620 15.755 ( 0.505 -0.000 1.979) 2.042 15.863 ( 1.000 -0.000 0.905) 1.348 16.233 ( 3.317 -0.000 -0.284) 3.329 16.373 ( 1.655 -0.000 0.659) 1.781 16.436 ( 1.953 0.000 -2.665) 3.304 16.536 ( -3.337 0.000 -3.770) 5.035 16.739 ( -1.684 -0.000 1.939) 2.569 16.795 ( -3.654 0.000 -0.785) 3.737 16.943 ( 6.064 -0.000 8.283) 10.265 17.081 ( -0.807 -0.000 4.265) 4.340 17.236 ( -2.621 -0.000 0.382) 2.649 17.522 ( -3.325 0.000 -4.995) 6.001 17.564 ( -2.647 0.000 -0.555) 2.704 17.906 ( 2.353 0.000 -7.428) 7.792 18.266 ( -4.480 -0.000 11.903) 12.718 19.014 ( -3.619 0.000 -7.453) 8.285 19.594 ( 3.950 0.000 -2.122) 4.484 19.833 ( 4.553 -0.000 7.028) 8.374 20.538 ( -3.276 0.000 -0.204) 3.282 ======================= Grid point 34 (33/72) ======================= q-point: (-0.24 0.24 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 13.474 -18.489 -0.000) 22.878 1.223 ( 11.480 -19.830 -0.000) 22.914 1.640 ( 1.645 -2.181 -0.000) 2.732 1.700 ( 2.614 -12.963 -0.000) 13.224 1.960 ( 2.863 0.978 0.000) 3.026 2.051 ( 3.334 -5.535 -0.000) 6.462 2.236 ( 14.756 -6.397 0.000) 16.083 2.398 ( 0.308 1.137 0.000) 1.178 2.771 ( 1.125 -0.839 0.000) 1.404 2.928 ( 1.712 -6.331 -0.000) 6.558 2.937 ( -3.533 8.472 0.000) 9.179 3.075 ( 3.460 2.146 0.000) 4.072 3.277 ( 0.117 4.133 0.000) 4.134 3.502 ( -3.707 -0.231 -0.000) 3.714 4.274 ( -3.684 0.080 -0.000) 3.685 4.476 ( 0.256 -20.493 -0.000) 20.495 4.676 ( -0.344 -5.551 -0.000) 5.562 5.162 ( -0.134 0.946 0.000) 0.955 5.534 ( -2.794 21.487 0.000) 21.668 5.932 ( 1.079 1.745 0.000) 2.052 5.976 ( 0.588 -9.338 -0.000) 9.357 6.396 ( -2.019 4.644 0.000) 5.064 6.624 ( -7.894 3.620 -0.000) 8.684 6.849 ( 4.558 6.432 0.000) 7.884 6.905 ( -2.401 6.709 0.000) 7.126 6.955 ( -4.130 -14.097 -0.000) 14.689 7.011 ( -5.726 2.933 -0.000) 6.434 7.125 ( -2.960 3.540 0.000) 4.615 7.261 ( -3.729 2.534 -0.000) 4.508 7.448 ( 0.439 -8.040 -0.000) 8.052 7.484 ( 2.915 2.176 0.000) 3.637 7.641 ( 2.071 11.754 0.000) 11.935 7.832 ( 20.411 3.788 0.000) 20.760 7.858 ( 4.058 1.449 0.000) 4.309 8.264 ( -5.963 0.259 -0.000) 5.969 8.312 ( -3.388 -4.249 -0.000) 5.434 8.593 ( 0.745 3.955 0.000) 4.025 8.613 ( 3.799 -3.863 -0.000) 5.418 8.670 ( 0.574 -2.160 -0.000) 2.236 9.040 ( 9.293 -2.347 0.000) 9.585 9.096 ( -6.475 7.669 0.000) 10.037 9.363 ( -2.244 0.250 -0.000) 2.258 9.453 ( 7.349 -13.396 -0.000) 15.280 9.610 ( 11.046 6.021 0.000) 12.581 9.844 ( 0.043 -5.216 -0.000) 5.217 9.935 ( -14.080 7.829 -0.000) 16.110 10.215 ( 0.527 -10.425 -0.000) 10.438 10.483 ( 3.374 3.073 0.000) 4.564 10.763 ( -2.800 -14.721 -0.000) 14.985 10.897 ( -14.311 -1.098 -0.000) 14.353 11.144 ( -4.178 2.876 -0.000) 5.073 11.548 ( 0.086 -2.377 -0.000) 2.378 11.606 ( 2.674 -0.297 0.000) 2.691 11.792 ( -3.029 -0.126 -0.000) 3.031 12.087 ( -9.813 -2.547 -0.000) 10.138 12.178 ( 3.327 1.356 0.000) 3.593 12.186 ( -13.194 6.655 -0.000) 14.777 12.448 ( 2.785 -1.280 0.000) 3.065 12.657 ( -5.588 5.555 0.000) 7.880 12.831 ( -10.488 -4.105 -0.000) 11.263 12.946 ( 0.949 0.675 0.000) 1.164 13.106 ( 1.720 -3.627 -0.000) 4.014 13.359 ( 3.861 8.544 0.000) 9.376 13.361 ( 5.081 -1.717 0.000) 5.364 13.683 ( 5.074 2.284 0.000) 5.564 13.788 ( 6.463 -1.227 0.000) 6.578 14.126 ( 1.670 -8.832 -0.000) 8.989 14.230 ( 1.940 -6.499 -0.000) 6.783 14.476 ( -11.936 6.029 -0.000) 13.372 14.605 ( -6.357 7.458 0.000) 9.800 14.619 ( -3.522 7.025 0.000) 7.858 14.754 ( -3.229 -0.790 -0.000) 3.324 14.850 ( -4.205 -0.619 -0.000) 4.251 14.996 ( 2.743 -0.182 0.000) 2.749 15.070 ( -4.154 -2.205 -0.000) 4.703 15.126 ( -3.898 -1.910 -0.000) 4.341 15.196 ( -1.557 0.547 -0.000) 1.650 15.348 ( -0.713 -6.075 -0.000) 6.117 15.428 ( -2.052 0.654 -0.000) 2.153 15.693 ( -8.879 1.039 -0.000) 8.940 15.722 ( -2.713 -6.300 -0.000) 6.859 15.829 ( -0.054 1.383 0.000) 1.384 16.202 ( 0.018 -1.798 -0.000) 1.798 16.410 ( -4.140 -0.958 -0.000) 4.249 16.501 ( -1.683 1.275 -0.000) 2.112 16.654 ( -1.083 -3.165 -0.000) 3.345 16.756 ( 5.409 -6.128 -0.000) 8.174 16.835 ( -3.634 -2.739 -0.000) 4.550 16.881 ( 7.179 4.150 0.000) 8.292 16.973 ( 4.696 -2.510 0.000) 5.324 17.185 ( -1.805 4.105 0.000) 4.484 17.539 ( 4.020 5.473 0.000) 6.791 17.656 ( 12.709 -5.735 0.000) 13.943 17.986 ( 9.355 -0.592 0.000) 9.374 18.304 ( 11.740 -7.106 0.000) 13.723 18.741 ( 2.541 -3.554 -0.000) 4.369 19.367 ( 3.949 18.579 0.000) 18.994 19.803 ( -4.644 16.717 0.000) 17.350 20.056 ( -8.581 -8.843 -0.000) 12.322 ======================= Grid point 35 (34/72) ======================= q-point: ( 0.26 0.24 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 8.332 5.037 19.955) 22.204 1.341 ( 9.404 7.610 18.195) 21.850 1.562 ( 2.889 3.216 2.443) 4.965 1.778 ( 8.754 0.803 -0.595) 8.811 1.970 ( -1.368 4.589 10.131) 11.206 2.030 ( 0.364 0.352 1.385) 1.475 2.277 ( 3.678 -2.223 -0.903) 4.391 2.403 ( 12.664 6.163 11.874) 18.421 2.630 ( -1.841 2.195 -5.174) 5.914 3.010 ( -4.614 -4.519 0.260) 6.463 3.088 ( 0.700 -0.130 3.099) 3.180 3.197 ( 3.584 -0.413 0.338) 3.624 3.371 ( -0.466 -4.434 -1.629) 4.746 3.449 ( -2.178 -1.759 -1.254) 3.067 4.049 ( 2.110 12.293 -2.231) 12.671 4.261 ( 0.065 0.449 -0.531) 0.699 4.645 ( -2.865 5.741 4.128) 7.629 5.464 ( 1.424 4.357 -11.487) 12.368 5.742 ( -3.250 -9.260 -4.738) 10.898 5.985 ( -4.626 3.829 2.680) 6.576 6.158 ( -3.154 -14.532 0.114) 14.871 6.314 ( -5.455 -1.804 -1.636) 5.974 6.442 ( -8.628 1.188 -7.927) 11.777 6.540 ( -6.881 0.046 -0.325) 6.889 6.662 ( -0.717 1.364 0.039) 1.541 6.894 ( -0.874 2.251 -0.548) 2.476 7.106 ( -0.933 -2.492 0.573) 2.722 7.235 ( 4.511 -2.999 -0.270) 5.424 7.346 ( 11.454 3.413 -0.994) 11.993 7.396 ( 7.958 -4.493 -3.225) 9.691 7.501 ( 7.314 0.949 -1.064) 7.451 7.911 ( -0.048 -6.820 8.671) 11.031 7.980 ( -2.220 -0.144 5.101) 5.565 7.993 ( 4.193 -0.305 -0.715) 4.264 8.221 ( -4.144 1.171 0.576) 4.345 8.362 ( -0.950 -7.173 1.517) 7.393 8.442 ( 4.080 1.353 0.304) 4.309 8.691 ( 9.189 -5.349 1.526) 10.742 8.828 ( 7.263 -3.649 0.680) 8.156 9.005 ( -8.585 -0.992 -5.474) 10.231 9.266 ( 3.995 0.952 3.661) 5.502 9.306 ( 3.060 -1.540 1.248) 3.646 9.584 ( 1.322 4.156 0.560) 4.397 9.738 ( -5.595 -1.830 -1.523) 6.080 9.882 ( -7.960 -2.143 3.475) 8.945 9.968 ( -10.285 5.534 5.930) 13.098 10.169 ( 0.106 -5.156 1.448) 5.357 10.474 ( 2.118 3.953 0.403) 4.503 10.682 ( -15.898 7.777 -0.032) 17.698 10.876 ( -11.034 2.906 7.499) 13.654 11.191 ( -4.932 -1.892 -0.830) 5.347 11.307 ( -4.553 6.517 -6.385) 10.197 11.549 ( 2.804 0.806 2.725) 3.993 11.605 ( 7.703 1.064 -6.746) 10.295 12.031 ( 6.231 -1.199 -2.218) 6.722 12.188 ( -0.996 1.090 -0.193) 1.489 12.309 ( -7.768 1.466 -0.634) 7.931 12.340 ( -7.248 -2.239 2.486) 7.983 12.630 ( -16.876 1.424 -5.774) 17.894 12.832 ( -1.445 1.780 -3.095) 3.852 12.997 ( 7.815 -2.820 4.656) 9.524 13.201 ( 5.743 -2.893 2.862) 7.039 13.318 ( 6.652 0.295 0.969) 6.729 13.620 ( -1.358 -2.316 -0.081) 2.686 13.747 ( 1.247 1.681 0.718) 2.213 13.793 ( -0.155 -0.768 -0.068) 0.787 13.988 ( 0.167 5.213 -0.858) 5.286 14.207 ( -0.485 2.422 0.410) 2.504 14.370 ( -7.926 -1.757 -1.933) 8.345 14.594 ( -4.394 -4.421 0.253) 6.239 14.678 ( -9.450 -5.794 -0.939) 11.125 14.781 ( -1.423 -4.973 -0.479) 5.194 14.928 ( -3.791 1.274 1.495) 4.269 14.979 ( -0.725 3.282 -1.164) 3.557 15.002 ( -2.391 2.266 0.332) 3.311 15.100 ( -5.654 1.450 1.743) 6.092 15.233 ( 1.503 -2.993 -1.171) 3.548 15.372 ( -1.553 -6.818 3.538) 7.837 15.610 ( 4.990 1.792 -1.377) 5.478 15.761 ( -11.157 -0.496 3.564) 11.723 15.786 ( -4.982 1.396 -0.117) 5.175 15.925 ( -4.942 -3.227 8.582) 10.416 16.172 ( 2.333 -3.524 0.603) 4.269 16.433 ( -1.280 -1.274 0.345) 1.838 16.461 ( -0.260 0.414 -4.247) 4.275 16.580 ( 0.099 0.406 -0.109) 0.431 16.676 ( -3.115 3.691 0.391) 4.845 16.789 ( 3.804 2.064 2.616) 5.057 16.894 ( 1.299 1.159 -1.265) 2.152 17.005 ( -4.288 -1.406 -7.256) 8.544 17.156 ( 5.989 3.035 6.568) 9.392 17.483 ( 2.103 -0.589 0.119) 2.188 17.652 ( 6.016 15.838 -4.088) 17.429 18.020 ( 1.969 11.046 1.409) 11.308 18.058 ( 4.599 1.162 1.157) 4.883 18.579 ( 22.801 4.419 -13.161) 26.695 18.972 ( 14.735 -1.659 -7.209) 16.488 19.645 ( -2.159 -6.402 -1.218) 6.866 20.646 ( -5.364 -12.931 10.281) 17.369 ======================= Grid point 37 (35/72) ======================= q-point: ( 0.43 -0.18 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -13.545 10.067 3.279) 17.191 1.549 ( -13.769 10.246 7.544) 18.748 1.670 ( -2.250 3.664 0.353) 4.314 1.870 ( -3.433 -0.070 4.000) 5.271 1.997 ( -2.931 0.864 -1.562) 3.432 2.059 ( -2.078 -0.798 0.097) 2.228 2.364 ( -6.480 0.245 -4.525) 7.907 2.544 ( -2.903 0.411 0.341) 2.952 2.763 ( 4.463 -3.649 -1.911) 6.073 2.868 ( -0.834 1.641 -0.660) 1.955 3.146 ( -7.477 3.778 7.530) 11.265 3.194 ( -9.202 5.777 3.370) 11.376 3.287 ( -0.910 -6.298 -0.947) 6.434 3.384 ( 6.053 2.248 -0.578) 6.483 4.139 ( 5.519 -2.218 -2.949) 6.639 4.501 ( -2.536 13.666 0.547) 13.910 4.693 ( 2.396 9.070 3.474) 10.004 5.291 ( -0.557 -4.198 9.265) 10.187 5.497 ( 3.281 -13.366 2.456) 13.980 5.951 ( -4.667 -1.343 -3.018) 5.718 5.997 ( 4.497 6.117 2.908) 8.130 6.303 ( 1.609 -2.971 -4.853) 5.913 6.379 ( 4.944 -1.549 -8.804) 10.215 6.588 ( 14.243 9.412 -5.094) 17.816 6.828 ( 1.681 5.482 -3.511) 6.723 6.878 ( 3.967 -10.231 -1.809) 11.121 7.002 ( -3.451 -6.178 2.424) 7.480 7.194 ( 0.534 -4.169 1.397) 4.429 7.328 ( -9.102 0.511 3.457) 9.750 7.526 ( -4.941 -1.332 -2.852) 5.858 7.542 ( -2.611 -1.464 6.272) 6.949 7.699 ( -2.907 -1.497 4.385) 5.470 8.007 ( -4.787 -5.088 2.718) 7.496 8.111 ( -0.319 -2.996 -3.802) 4.851 8.183 ( -0.822 3.370 0.155) 3.472 8.242 ( -1.439 2.057 0.359) 2.536 8.622 ( -7.490 -3.756 -0.547) 8.397 8.660 ( 1.179 0.204 -2.033) 2.358 8.755 ( -3.698 -3.190 -0.238) 4.890 9.015 ( 1.049 -2.528 4.663) 5.407 9.183 ( 1.191 4.895 -1.064) 5.149 9.385 ( -6.269 -0.840 5.413) 8.325 9.523 ( 14.533 -1.485 -6.472) 15.978 9.711 ( -5.220 6.626 4.377) 9.504 9.763 ( -9.596 -6.195 -4.110) 12.139 9.965 ( -1.566 1.314 4.559) 4.996 10.187 ( -0.890 11.162 0.488) 11.208 10.519 ( 8.687 2.882 4.952) 10.406 10.605 ( 12.199 1.694 -4.073) 12.972 10.763 ( -4.643 6.551 -3.562) 8.784 11.022 ( 6.798 -4.484 -1.100) 8.218 11.382 ( 8.768 3.668 -3.798) 10.235 11.534 ( 3.355 0.409 0.567) 3.427 11.791 ( 16.214 0.172 1.117) 16.254 11.913 ( 2.963 3.359 1.129) 4.619 12.002 ( 0.117 -0.315 2.970) 2.989 12.179 ( 1.535 -1.689 0.100) 2.285 12.325 ( 7.078 -1.635 -2.373) 7.642 12.596 ( 1.770 -4.465 -1.869) 5.154 12.862 ( -5.990 3.460 1.066) 6.999 12.900 ( 2.203 -1.724 -1.099) 3.006 13.192 ( -2.540 1.157 3.193) 4.241 13.426 ( -2.853 -1.476 0.875) 3.329 13.459 ( -3.977 -3.376 2.309) 5.705 13.772 ( -0.989 -0.803 -0.453) 1.352 13.908 ( -6.957 1.019 -3.239) 7.742 14.101 ( 3.897 3.788 1.580) 5.660 14.241 ( 10.590 -4.333 1.107) 11.496 14.306 ( -2.647 2.766 1.622) 4.158 14.452 ( 8.942 -0.950 -6.447) 11.065 14.459 ( 2.541 -0.692 -7.218) 7.684 14.644 ( -0.351 -3.974 2.608) 4.766 14.819 ( 3.686 0.525 4.393) 5.759 14.981 ( 4.190 3.280 -0.010) 5.322 15.016 ( 1.856 0.369 1.529) 2.432 15.085 ( 1.265 4.294 -1.706) 4.791 15.121 ( 7.847 0.610 1.076) 7.944 15.324 ( -3.282 -2.397 0.420) 4.085 15.452 ( 2.734 -2.154 2.001) 4.015 15.540 ( 6.686 0.375 7.047) 9.721 15.821 ( -3.352 2.067 -1.266) 4.136 15.840 ( -3.017 0.422 -1.026) 3.215 16.134 ( 2.204 -3.232 -2.409) 4.594 16.362 ( 2.834 -0.138 1.589) 3.252 16.490 ( -0.585 0.004 -1.386) 1.504 16.625 ( 2.032 -0.585 1.826) 2.794 16.729 ( 5.243 1.505 -0.094) 5.456 16.842 ( -2.226 5.526 -4.412) 7.413 16.998 ( -7.515 -0.865 -1.035) 7.635 17.122 ( -1.700 1.778 -3.091) 3.950 17.172 ( -7.640 0.202 4.107) 8.676 17.477 ( 5.983 -0.772 1.765) 6.285 17.939 ( -11.159 7.839 1.217) 13.692 18.218 ( -6.412 6.687 3.864) 10.038 18.496 ( -10.089 12.956 -4.584) 17.049 18.856 ( -6.316 -1.213 3.039) 7.113 19.387 ( -3.121 -16.407 -5.307) 17.524 19.545 ( 5.761 -1.717 -9.755) 11.459 19.986 ( 5.930 -14.684 6.529) 17.129 ======================= Grid point 38 (36/72) ======================= q-point: ( 0.11 0.39 -0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 4.138 -0.000 11.376) 12.105 1.497 ( 16.137 -0.000 14.045) 21.393 1.655 ( 6.940 -0.000 4.091) 8.056 1.936 ( 0.365 -0.000 2.241) 2.270 1.991 ( 10.006 0.000 -1.747) 10.157 2.063 ( 6.519 -0.000 3.131) 7.232 2.369 ( 4.014 -0.000 -0.357) 4.030 2.549 ( -2.470 0.000 -2.941) 3.841 2.608 ( 9.727 -0.000 9.480) 13.583 2.868 ( -10.549 -0.000 2.441) 10.828 3.113 ( 2.156 -0.000 3.566) 4.167 3.256 ( 1.252 -0.000 1.236) 1.760 3.412 ( -1.339 0.000 -7.817) 7.931 3.496 ( 2.356 -0.000 1.789) 2.958 4.033 ( 8.028 0.000 -4.410) 9.159 4.243 ( -0.989 0.000 -0.148) 1.000 4.482 ( -5.890 -0.000 5.409) 7.996 5.463 ( 3.298 0.000 -16.085) 16.420 5.796 ( -4.167 0.000 0.257) 4.175 5.797 ( -5.894 -0.000 11.901) 13.280 6.135 ( -8.134 0.000 -6.028) 10.124 6.198 ( -2.080 0.000 -4.382) 4.850 6.264 ( -12.637 0.000 -3.891) 13.223 6.423 ( -6.051 0.000 0.555) 6.076 6.634 ( -0.712 -0.000 4.352) 4.410 6.917 ( 3.471 0.000 -2.515) 4.286 7.256 ( 3.269 -0.000 2.289) 3.991 7.279 ( 4.796 0.000 -3.655) 6.029 7.492 ( 6.899 0.000 -2.355) 7.290 7.535 ( 1.758 -0.000 4.798) 5.109 7.680 ( 7.572 -0.000 7.092) 10.374 7.868 ( -1.300 0.000 -1.602) 2.063 8.013 ( 1.616 -0.000 8.835) 8.982 8.076 ( -5.770 -0.000 3.812) 6.915 8.147 ( 11.100 0.000 -7.222) 13.242 8.461 ( 3.907 0.000 -0.535) 3.944 8.686 ( -15.199 0.000 -8.112) 17.228 8.746 ( 16.120 -0.000 4.357) 16.698 8.927 ( -9.965 0.000 -3.038) 10.417 9.114 ( 8.718 -0.000 4.783) 9.944 9.219 ( 10.466 -0.000 2.042) 10.663 9.337 ( -10.689 -0.000 11.935) 16.022 9.493 ( 14.522 -0.000 3.396) 14.914 9.699 ( -12.524 -0.000 2.986) 12.875 9.782 ( 2.740 0.000 -3.708) 4.610 9.883 ( 6.172 0.000 -1.984) 6.483 10.100 ( -16.611 0.000 0.853) 16.633 10.278 ( -8.503 -0.000 1.844) 8.700 10.433 ( 3.658 0.000 -7.589) 8.425 10.567 ( -16.141 -0.000 3.709) 16.561 11.095 ( -11.530 0.000 -3.197) 11.965 11.164 ( 0.783 0.000 -1.330) 1.544 11.613 ( -6.936 0.000 -5.593) 8.910 11.631 ( 3.002 -0.000 5.573) 6.330 11.983 ( -14.690 -0.000 4.524) 15.371 12.080 ( -2.973 0.000 -0.248) 2.984 12.178 ( 0.794 -0.000 2.299) 2.432 12.293 ( -11.423 0.000 -7.570) 13.703 12.486 ( 11.924 0.000 -3.706) 12.487 12.781 ( -1.199 0.000 -2.626) 2.887 13.116 ( -2.198 -0.000 5.869) 6.267 13.324 ( 6.809 -0.000 7.762) 10.325 13.494 ( 7.081 -0.000 1.587) 7.257 13.593 ( -2.666 0.000 -1.688) 3.156 13.753 ( 2.169 0.000 -3.749) 4.331 13.865 ( 4.030 -0.000 1.910) 4.459 13.924 ( 0.812 0.000 -5.469) 5.529 14.077 ( -4.793 0.000 -2.426) 5.372 14.296 ( 1.193 -0.000 2.075) 2.393 14.490 ( -11.035 -0.000 9.347) 14.462 14.627 ( -3.822 0.000 -4.870) 6.191 14.693 ( -12.137 -0.000 1.541) 12.234 14.824 ( -0.243 0.000 -0.990) 1.019 14.929 ( 2.840 -0.000 4.016) 4.919 14.958 ( -6.127 0.000 -3.014) 6.829 15.001 ( 0.583 0.000 -0.853) 1.033 15.356 ( -8.734 -0.000 4.701) 9.919 15.424 ( 3.912 -0.000 0.739) 3.981 15.501 ( -2.333 -0.000 2.243) 3.237 15.670 ( 3.406 0.000 -3.208) 4.679 15.721 ( -12.590 0.000 -0.375) 12.595 15.838 ( 0.625 0.000 -1.907) 2.007 16.292 ( 2.906 0.000 -3.588) 4.617 16.384 ( -9.791 -0.000 2.105) 10.015 16.502 ( -0.050 0.000 -4.995) 4.995 16.553 ( 5.065 -0.000 6.047) 7.888 16.623 ( 2.498 -0.000 2.800) 3.753 16.841 ( -4.905 0.000 -10.227) 11.342 16.855 ( 0.058 -0.000 5.027) 5.027 16.992 ( 4.654 0.000 -1.009) 4.762 17.156 ( 5.555 -0.000 -0.420) 5.571 17.539 ( 2.607 -0.000 2.380) 3.530 17.552 ( 2.273 -0.000 5.490) 5.942 17.932 ( 5.129 0.000 -10.647) 11.818 18.106 ( 1.079 -0.000 8.237) 8.307 18.937 ( 11.968 0.000 -2.781) 12.287 19.418 ( 19.122 0.000 -14.343) 23.903 19.676 ( -2.132 0.000 -0.873) 2.304 20.670 ( -6.514 -0.000 7.204) 9.713 ======================= Grid point 39 (37/72) ======================= q-point: (-0.39 0.39 -0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 6.094 -2.564 0.000) 6.612 1.659 ( 3.096 -7.079 -0.000) 7.726 1.741 ( 8.969 -4.339 0.000) 9.964 1.868 ( -0.612 -6.576 -0.000) 6.605 2.020 ( -2.236 1.172 -0.000) 2.524 2.031 ( 4.059 -0.123 0.000) 4.061 2.488 ( 6.577 -3.682 0.000) 7.538 2.595 ( 3.823 -3.569 -0.000) 5.230 2.608 ( -2.811 9.979 0.000) 10.368 2.821 ( 3.150 0.026 0.000) 3.150 3.132 ( 4.986 3.444 0.000) 6.059 3.167 ( -1.332 4.593 0.000) 4.782 3.371 ( 12.566 -8.317 0.000) 15.069 3.454 ( -4.000 -5.184 -0.000) 6.548 4.128 ( -7.014 2.483 -0.000) 7.440 4.746 ( -2.174 1.538 -0.000) 2.663 4.804 ( -8.257 -14.440 -0.000) 16.634 5.082 ( 5.577 8.658 0.000) 10.299 5.330 ( 2.173 -3.292 -0.000) 3.945 5.833 ( 5.946 9.346 0.000) 11.077 6.094 ( -6.422 -1.739 -0.000) 6.654 6.361 ( 1.605 1.048 0.000) 1.917 6.412 ( -2.945 0.763 -0.000) 3.042 6.644 ( 0.347 9.045 0.000) 9.051 6.752 ( -6.269 6.140 0.000) 8.775 6.889 ( -2.258 -0.467 -0.000) 2.306 6.929 ( -9.714 -11.832 -0.000) 15.308 7.067 ( -2.935 6.427 0.000) 7.065 7.402 ( 14.129 -7.218 0.000) 15.866 7.459 ( 6.111 7.125 0.000) 9.387 7.623 ( -0.476 -6.690 -0.000) 6.707 7.666 ( 1.809 -6.615 -0.000) 6.858 7.962 ( 2.994 -2.994 -0.000) 4.234 8.134 ( 12.831 2.352 0.000) 13.044 8.161 ( -2.381 1.250 -0.000) 2.689 8.350 ( -3.794 -4.130 -0.000) 5.608 8.488 ( -2.380 3.268 0.000) 4.043 8.679 ( 0.315 2.311 0.000) 2.333 8.782 ( 4.670 -4.581 -0.000) 6.542 8.832 ( -3.488 6.747 0.000) 7.595 9.303 ( 4.885 -5.808 -0.000) 7.589 9.308 ( 2.454 3.396 0.000) 4.190 9.634 ( -6.376 -0.692 -0.000) 6.413 9.690 ( 6.631 2.224 0.000) 6.994 9.859 ( 4.988 -11.084 -0.000) 12.155 9.898 ( -0.292 1.046 0.000) 1.086 10.415 ( -2.539 4.513 0.000) 5.178 10.440 ( 2.293 -9.511 -0.000) 9.784 10.603 ( -6.106 8.459 0.000) 10.432 10.898 ( -3.298 -2.848 -0.000) 4.357 10.929 ( -11.134 3.974 -0.000) 11.822 11.468 ( -6.018 4.729 0.000) 7.654 11.556 ( -9.236 -5.524 -0.000) 10.762 11.764 ( -23.655 -1.410 -0.000) 23.697 11.889 ( 11.800 4.742 0.000) 12.717 12.063 ( -1.108 -7.305 -0.000) 7.389 12.117 ( -2.692 2.503 0.000) 3.676 12.342 ( -6.622 0.208 -0.000) 6.625 12.432 ( -1.720 7.699 0.000) 7.889 12.884 ( -2.281 2.720 0.000) 3.550 12.983 ( 6.107 -5.920 -0.000) 8.505 13.240 ( 0.812 -5.905 -0.000) 5.960 13.336 ( 4.071 1.938 0.000) 4.509 13.463 ( 3.191 -1.754 0.000) 3.641 13.748 ( 3.657 1.173 0.000) 3.841 13.916 ( 5.773 2.264 0.000) 6.201 14.037 ( -12.998 2.830 -0.000) 13.303 14.299 ( -2.962 4.238 0.000) 5.171 14.303 ( -10.588 -5.816 -0.000) 12.081 14.453 ( 2.996 0.024 0.000) 2.997 14.479 ( 8.306 2.200 0.000) 8.593 14.640 ( -8.743 0.213 -0.000) 8.745 14.784 ( -4.818 -1.502 -0.000) 5.046 14.983 ( -1.741 1.868 0.000) 2.554 15.025 ( -3.838 1.445 -0.000) 4.101 15.130 ( 1.917 -1.502 -0.000) 2.435 15.152 ( -6.189 -1.846 -0.000) 6.459 15.383 ( -6.726 -4.946 -0.000) 8.349 15.433 ( 3.727 0.068 0.000) 3.727 15.477 ( -10.492 -4.000 -0.000) 11.229 15.828 ( 1.650 0.206 0.000) 1.663 15.892 ( 4.364 -2.034 0.000) 4.814 16.146 ( -4.471 0.206 -0.000) 4.476 16.327 ( -3.834 1.579 -0.000) 4.146 16.479 ( 2.079 2.140 0.000) 2.983 16.558 ( -3.260 1.766 -0.000) 3.707 16.749 ( -5.114 -0.048 -0.000) 5.114 16.984 ( 8.333 2.456 0.000) 8.687 17.051 ( 8.351 -1.596 0.000) 8.502 17.107 ( 1.602 -2.106 -0.000) 2.646 17.200 ( 1.859 -1.391 0.000) 2.322 17.365 ( -5.442 1.988 -0.000) 5.793 18.158 ( 10.586 5.292 0.000) 11.835 18.164 ( 19.779 -10.273 0.000) 22.287 18.738 ( 12.654 -8.942 0.000) 15.495 18.817 ( 1.328 4.092 0.000) 4.302 19.039 ( 5.513 20.153 0.000) 20.893 19.332 ( -7.833 10.779 0.000) 13.324 20.077 ( -13.472 -15.161 -0.000) 20.282 ======================= Grid point 42 (38/72) ======================= q-point: ( 0.45 -0.45 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 1.229 6.094 0.000) 6.216 1.734 ( -2.572 -0.922 -0.000) 2.732 1.883 ( -2.212 2.187 0.000) 3.110 1.952 ( 5.053 -0.081 0.000) 5.054 2.075 ( -5.256 -10.732 -0.000) 11.950 2.080 ( 1.692 0.103 0.000) 1.695 2.562 ( 6.437 -1.119 0.000) 6.533 2.639 ( -4.429 -2.126 -0.000) 4.913 2.676 ( 0.769 -4.035 -0.000) 4.108 2.846 ( 0.855 3.639 0.000) 3.738 3.071 ( 3.133 3.912 0.000) 5.012 3.079 ( 3.449 8.452 0.000) 9.129 3.431 ( -2.546 -2.539 -0.000) 3.596 3.589 ( -0.383 2.311 0.000) 2.343 4.004 ( -0.922 -0.526 -0.000) 1.061 4.583 ( 1.144 9.571 0.000) 9.639 4.736 ( -10.526 0.551 -0.000) 10.541 5.108 ( 6.417 3.613 0.000) 7.364 5.484 ( -1.750 -7.368 -0.000) 7.573 5.889 ( -2.490 4.641 0.000) 5.266 5.897 ( 7.945 0.049 0.000) 7.945 6.327 ( -2.375 3.271 0.000) 4.043 6.368 ( -2.213 2.006 0.000) 2.987 6.542 ( 5.043 8.833 0.000) 10.171 6.595 ( -2.680 -4.695 -0.000) 5.406 6.961 ( -0.890 -3.926 -0.000) 4.025 7.020 ( 3.645 -4.278 -0.000) 5.620 7.113 ( -3.051 -14.182 -0.000) 14.506 7.436 ( 5.187 4.765 0.000) 7.043 7.538 ( -2.464 0.724 -0.000) 2.568 7.784 ( -1.142 3.464 0.000) 3.648 7.816 ( -4.662 -7.653 -0.000) 8.961 8.013 ( -1.538 -0.166 -0.000) 1.547 8.161 ( -5.500 -1.674 -0.000) 5.750 8.216 ( 2.139 -7.650 -0.000) 7.944 8.301 ( -3.394 -3.998 -0.000) 5.244 8.435 ( 2.702 0.086 0.000) 2.703 8.693 ( 9.702 -3.264 0.000) 10.237 8.825 ( 4.002 0.035 0.000) 4.002 8.957 ( 5.170 -1.366 0.000) 5.348 9.345 ( 3.926 2.544 0.000) 4.679 9.378 ( -6.102 -2.774 -0.000) 6.703 9.583 ( -1.391 3.048 0.000) 3.351 9.725 ( -13.102 -1.829 -0.000) 13.229 9.818 ( 6.080 -3.034 0.000) 6.795 10.151 ( 2.134 -0.971 0.000) 2.344 10.221 ( -4.240 3.848 0.000) 5.726 10.365 ( -0.205 8.790 0.000) 8.792 10.629 ( 6.196 -0.095 0.000) 6.197 10.677 ( 4.342 7.983 0.000) 9.087 10.707 ( -3.741 10.670 0.000) 11.307 11.327 ( -2.450 3.969 0.000) 4.664 11.405 ( -14.265 -7.701 -0.000) 16.211 11.453 ( -8.165 0.461 -0.000) 8.178 11.952 ( 5.542 1.095 0.000) 5.649 12.021 ( -10.100 4.001 -0.000) 10.863 12.137 ( 2.510 -1.632 0.000) 2.994 12.277 ( -2.070 -1.163 -0.000) 2.374 12.454 ( 8.199 -4.011 0.000) 9.127 12.805 ( 0.759 2.151 0.000) 2.281 13.099 ( -1.838 -0.154 -0.000) 1.844 13.326 ( -4.239 -4.295 -0.000) 6.035 13.401 ( 2.096 -2.653 -0.000) 3.382 13.557 ( 2.223 1.729 0.000) 2.816 13.796 ( 2.081 -1.163 0.000) 2.384 13.856 ( -0.455 -2.876 -0.000) 2.912 13.931 ( 0.811 0.295 0.000) 0.863 14.208 ( 4.913 3.348 0.000) 5.946 14.260 ( -5.906 -4.411 -0.000) 7.371 14.425 ( -7.343 1.506 -0.000) 7.496 14.541 ( -0.466 -1.868 -0.000) 1.925 14.666 ( 7.616 -0.860 0.000) 7.664 14.712 ( -3.717 0.175 -0.000) 3.721 14.876 ( 0.792 5.240 0.000) 5.300 14.934 ( -1.336 2.940 0.000) 3.229 15.009 ( -10.004 -2.096 -0.000) 10.221 15.144 ( -1.264 0.287 -0.000) 1.297 15.381 ( -3.308 -4.879 -0.000) 5.894 15.404 ( -5.552 -2.359 -0.000) 6.032 15.529 ( 3.397 -0.459 0.000) 3.427 15.838 ( 0.612 1.709 0.000) 1.816 15.894 ( 0.760 3.580 0.000) 3.660 16.166 ( -1.738 -6.613 -0.000) 6.838 16.268 ( 0.785 0.006 0.000) 0.785 16.507 ( 4.881 1.457 0.000) 5.094 16.535 ( -0.519 -1.978 -0.000) 2.045 16.627 ( -3.637 3.346 0.000) 4.942 16.932 ( 0.421 10.057 0.000) 10.065 17.065 ( 5.327 2.382 0.000) 5.835 17.211 ( 2.846 -0.679 0.000) 2.926 17.247 ( -0.925 -2.267 -0.000) 2.449 17.364 ( -4.120 -3.594 -0.000) 5.467 18.145 ( 7.658 12.583 0.000) 14.731 18.335 ( -6.502 18.641 0.000) 19.742 18.736 ( 2.068 14.080 0.000) 14.231 18.774 ( 10.856 -1.708 0.000) 10.990 19.176 ( 9.261 -9.744 -0.000) 13.443 19.349 ( 3.324 -14.164 -0.000) 14.549 20.188 ( -12.108 -19.148 -0.000) 22.655 ======================= Grid point 44 (39/72) ======================= q-point: (-0.37 0.13 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -0.000 -9.224 -4.144) 10.113 1.488 ( -0.000 -18.167 7.652) 19.713 1.593 ( 0.000 1.594 3.220) 3.593 1.840 ( 0.000 0.611 3.639) 3.690 1.913 ( 0.000 5.911 6.460) 8.756 2.172 ( -0.000 -1.779 -3.845) 4.236 2.179 ( -0.000 -8.793 -4.697) 9.969 2.512 ( -0.000 -4.027 -6.772) 7.879 2.758 ( 0.000 8.307 2.405) 8.648 2.811 ( 0.000 2.794 -2.069) 3.477 2.948 ( 0.000 1.655 -2.063) 2.645 3.113 ( -0.000 -10.444 -5.859) 11.975 3.292 ( -0.000 -0.620 -1.301) 1.441 3.488 ( 0.000 1.126 6.007) 6.112 4.262 ( 0.000 1.624 2.946) 3.364 4.833 ( -0.000 -3.352 -6.386) 7.213 4.850 ( 0.000 2.148 6.258) 6.616 5.171 ( -0.000 -4.019 -6.484) 7.628 5.332 ( -0.000 -4.975 -5.341) 7.299 5.705 ( 0.000 13.385 0.478) 13.393 6.229 ( 0.000 -0.926 2.128) 2.321 6.265 ( -0.000 -5.048 4.145) 6.532 6.602 ( 0.000 5.841 2.203) 6.243 6.677 ( 0.000 -0.101 0.707) 0.714 6.842 ( -0.000 4.631 -9.372) 10.454 6.963 ( 0.000 7.737 -1.539) 7.889 6.994 ( 0.000 3.373 -2.230) 4.044 7.207 ( 0.000 6.188 8.975) 10.901 7.236 ( 0.000 3.111 -0.476) 3.147 7.334 ( -0.000 -2.204 3.731) 4.334 7.456 ( 0.000 3.410 -2.747) 4.379 7.604 ( -0.000 -10.659 4.337) 11.508 7.639 ( -0.000 -13.563 4.164) 14.188 7.816 ( 0.000 -1.559 3.029) 3.406 8.259 ( 0.000 2.453 -0.301) 2.472 8.424 ( -0.000 -2.683 -2.484) 3.656 8.545 ( 0.000 2.064 -3.559) 4.114 8.694 ( -0.000 -0.425 -0.527) 0.677 8.835 ( -0.000 -3.331 3.215) 4.630 8.936 ( 0.000 -0.267 1.667) 1.688 9.097 ( 0.000 4.973 -7.453) 8.960 9.189 ( 0.000 4.236 -6.253) 7.553 9.507 ( 0.000 -0.706 5.213) 5.260 9.759 ( -0.000 -12.461 -4.870) 13.379 9.811 ( 0.000 -1.740 7.747) 7.940 9.946 ( 0.000 2.695 1.115) 2.917 10.441 ( -0.000 2.903 -6.454) 7.077 10.521 ( -0.000 -9.791 -3.954) 10.559 11.003 ( 0.000 7.083 1.897) 7.333 11.089 ( -0.000 -7.051 0.231) 7.054 11.139 ( 0.000 1.800 -0.678) 1.924 11.338 ( 0.000 3.013 1.448) 3.343 11.630 ( -0.000 -4.411 0.400) 4.429 11.882 ( 0.000 3.667 3.848) 5.316 11.954 ( 0.000 12.073 0.646) 12.090 12.102 ( -0.000 -2.944 1.549) 3.326 12.324 ( -0.000 -2.612 -2.272) 3.462 12.463 ( -0.000 -3.137 1.032) 3.302 12.832 ( 0.000 1.973 0.415) 2.016 12.848 ( -0.000 -1.548 -2.904) 3.290 12.988 ( 0.000 2.325 2.654) 3.529 13.084 ( 0.000 9.381 -2.851) 9.805 13.247 ( -0.000 0.100 -3.397) 3.399 13.319 ( -0.000 -12.916 4.794) 13.777 13.690 ( -0.000 0.617 -7.340) 7.366 13.772 ( -0.000 -1.168 -0.584) 1.306 14.127 ( 0.000 -3.054 7.776) 8.354 14.374 ( -0.000 -1.985 -2.099) 2.889 14.462 ( 0.000 8.837 1.105) 8.906 14.531 ( 0.000 2.732 -3.381) 4.347 14.629 ( 0.000 1.468 0.903) 1.724 14.672 ( -0.000 -2.817 3.077) 4.172 14.946 ( -0.000 -0.454 -1.491) 1.559 14.959 ( -0.000 -1.035 -0.407) 1.113 15.082 ( 0.000 0.568 1.318) 1.436 15.176 ( 0.000 1.077 -0.313) 1.122 15.199 ( -0.000 -0.513 -0.132) 0.530 15.419 ( 0.000 -2.248 5.369) 5.820 15.576 ( -0.000 -0.368 0.184) 0.411 15.725 ( -0.000 -6.784 -6.196) 9.188 15.781 ( 0.000 1.701 0.170) 1.709 16.078 ( -0.000 -1.626 -0.083) 1.628 16.113 ( 0.000 1.664 2.148) 2.717 16.483 ( -0.000 -0.926 1.256) 1.561 16.577 ( -0.000 -1.627 -2.322) 2.835 16.650 ( 0.000 4.155 0.866) 4.244 16.738 ( -0.000 -1.624 -0.256) 1.644 16.786 ( -0.000 -0.869 -0.450) 0.979 16.888 ( 0.000 3.196 3.724) 4.907 17.020 ( -0.000 -4.313 0.182) 4.317 17.070 ( 0.000 4.822 -3.531) 5.977 17.396 ( 0.000 0.692 -0.509) 0.859 17.563 ( -0.000 -5.053 -1.853) 5.382 18.016 ( -0.000 -3.539 0.689) 3.606 18.336 ( -0.000 -3.837 -3.678) 5.315 18.792 ( -0.000 -0.116 0.047) 0.125 18.883 ( 0.000 17.116 0.984) 17.144 19.571 ( 0.000 12.637 -6.353) 14.144 20.292 ( -0.000 -14.050 11.145) 17.933 ======================= Grid point 45 (40/72) ======================= q-point: ( 0.13 0.13 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( -0.000 -0.000 28.116) 28.116 0.623 ( -0.000 -0.000 30.979) 30.979 0.987 ( -0.000 -0.000 48.909) 48.909 1.417 ( -0.000 -0.000 2.519) 2.519 1.709 ( 0.000 0.000 -2.260) 2.260 1.981 ( -0.000 -0.000 0.554) 0.554 2.011 ( -0.000 -0.000 5.035) 5.035 2.564 ( 0.000 0.000 -10.446) 10.446 2.723 ( 0.000 0.000 -5.208) 5.208 2.972 ( -0.000 -0.000 6.996) 6.996 2.993 ( -0.000 -0.000 7.365) 7.365 3.234 ( 0.000 0.000 -2.913) 2.913 3.535 ( 0.000 0.000 -3.027) 3.027 3.542 ( 0.000 0.000 -2.159) 2.159 3.817 ( -0.000 -0.000 0.146) 0.146 4.299 ( 0.000 0.000 -0.175) 0.175 4.576 ( -0.000 -0.000 1.653) 1.653 5.594 ( 0.000 0.000 -5.497) 5.497 5.838 ( -0.000 -0.000 3.820) 3.820 6.220 ( 0.000 0.000 -12.510) 12.510 6.380 ( 0.000 0.000 -1.063) 1.063 6.551 ( 0.000 0.000 -2.007) 2.007 6.635 ( -0.000 -0.000 3.771) 3.771 6.687 ( -0.000 -0.000 3.185) 3.185 6.695 ( 0.000 0.000 -17.925) 17.925 6.859 ( -0.000 -0.000 1.107) 1.107 6.965 ( 0.000 0.000 -0.765) 0.765 7.252 ( 0.000 0.000 -3.170) 3.170 7.302 ( 0.000 0.000 -0.594) 0.594 7.441 ( 0.000 0.000 -3.282) 3.282 7.499 ( 0.000 0.000 -6.365) 6.365 7.574 ( -0.000 -0.000 23.044) 23.044 7.871 ( -0.000 -0.000 2.794) 2.794 8.175 ( 0.000 0.000 -2.578) 2.578 8.213 ( -0.000 -0.000 0.446) 0.446 8.289 ( -0.000 -0.000 3.338) 3.338 8.483 ( 0.000 0.000 -6.385) 6.385 8.633 ( -0.000 -0.000 3.709) 3.709 8.676 ( -0.000 -0.000 1.383) 1.383 9.130 ( -0.000 -0.000 2.445) 2.445 9.258 ( 0.000 0.000 -3.423) 3.423 9.387 ( 0.000 0.000 -6.154) 6.154 9.615 ( -0.000 -0.000 5.626) 5.626 9.779 ( -0.000 -0.000 6.395) 6.395 9.881 ( -0.000 -0.000 8.045) 8.045 10.039 ( 0.000 0.000 -15.130) 15.130 10.307 ( 0.000 0.000 -6.479) 6.479 10.526 ( 0.000 0.000 -2.032) 2.032 10.642 ( -0.000 -0.000 8.711) 8.711 10.721 ( -0.000 -0.000 14.546) 14.546 11.229 ( -0.000 -0.000 0.236) 0.236 11.441 ( 0.000 0.000 -6.650) 6.650 11.486 ( 0.000 0.000 -0.173) 0.173 11.743 ( 0.000 0.000 -9.224) 9.224 11.965 ( 0.000 0.000 -4.876) 4.876 12.110 ( -0.000 -0.000 1.129) 1.129 12.255 ( -0.000 -0.000 7.564) 7.564 12.586 ( 0.000 0.000 -2.211) 2.211 12.810 ( -0.000 -0.000 2.143) 2.143 12.856 ( 0.000 0.000 -2.592) 2.592 13.030 ( 0.000 0.000 -0.688) 0.688 13.063 ( 0.000 0.000 -2.534) 2.534 13.105 ( -0.000 -0.000 7.901) 7.901 13.684 ( -0.000 -0.000 1.535) 1.535 13.702 ( 0.000 0.000 -5.764) 5.764 13.799 ( -0.000 -0.000 0.681) 0.681 13.915 ( -0.000 -0.000 2.490) 2.490 14.316 ( 0.000 0.000 -5.130) 5.130 14.552 ( -0.000 -0.000 2.977) 2.977 14.701 ( 0.000 0.000 -1.986) 1.986 14.816 ( -0.000 -0.000 1.373) 1.373 14.916 ( -0.000 -0.000 1.767) 1.767 14.967 ( 0.000 0.000 -8.962) 8.962 14.995 ( -0.000 -0.000 0.177) 0.177 15.057 ( 0.000 0.000 -6.755) 6.755 15.170 ( 0.000 0.000 -1.087) 1.087 15.244 ( 0.000 0.000 -0.232) 0.232 15.507 ( -0.000 -0.000 0.269) 0.269 15.673 ( 0.000 0.000 -1.633) 1.633 15.756 ( -0.000 -0.000 18.682) 18.682 15.855 ( 0.000 0.000 -1.567) 1.567 16.026 ( -0.000 -0.000 1.723) 1.723 16.258 ( 0.000 0.000 -2.957) 2.957 16.441 ( -0.000 -0.000 0.770) 0.770 16.533 ( 0.000 0.000 -1.874) 1.874 16.638 ( -0.000 -0.000 5.445) 5.445 16.681 ( 0.000 0.000 -0.562) 0.562 16.702 ( 0.000 0.000 -2.787) 2.787 16.736 ( 0.000 0.000 -1.216) 1.216 16.804 ( -0.000 -0.000 1.345) 1.345 17.341 ( 0.000 0.000 -3.669) 3.669 17.352 ( 0.000 0.000 -8.088) 8.088 17.392 ( -0.000 -0.000 3.296) 3.296 17.888 ( -0.000 -0.000 2.390) 2.390 17.974 ( -0.000 -0.000 6.534) 6.534 18.009 ( 0.000 0.000 -4.280) 4.280 18.827 ( -0.000 -0.000 1.471) 1.471 19.747 ( 0.000 0.000 -0.065) 0.065 20.717 ( -0.000 -0.000 4.840) 4.840 ======================= Grid point 46 (41/72) ======================= q-point: (-0.20 -0.30 -0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -1.934 -7.266 -0.207) 7.522 1.806 ( -2.895 -0.996 -3.931) 4.983 1.848 ( -5.240 -2.281 -1.515) 5.913 1.896 ( 1.072 -1.859 2.320) 3.160 2.077 ( -3.751 2.387 -2.708) 5.206 2.111 ( -0.665 4.105 -0.058) 4.158 2.462 ( -4.766 2.519 1.482) 5.591 2.548 ( -3.415 1.087 -0.641) 3.641 2.615 ( 5.717 2.999 -0.350) 6.466 2.878 ( -0.141 -6.257 0.234) 6.263 3.172 ( 2.849 -4.144 3.679) 6.231 3.267 ( -1.026 1.607 3.064) 3.609 3.319 ( -1.240 3.986 -3.704) 5.580 3.520 ( -3.239 -8.607 -3.593) 9.873 4.017 ( 1.759 4.392 1.045) 4.845 4.589 ( -4.174 -9.115 -0.339) 10.031 4.687 ( 4.687 -8.538 -2.035) 9.950 5.367 ( -0.003 7.135 2.698) 7.629 5.531 ( 0.196 2.549 -2.068) 3.288 5.929 ( 3.768 -1.626 -0.090) 4.105 5.964 ( -4.740 -1.161 3.786) 6.176 6.111 ( 4.882 -3.230 0.857) 5.916 6.233 ( 2.127 1.800 -1.580) 3.203 6.501 ( -3.293 -8.016 -3.074) 9.195 6.645 ( 7.349 -3.206 3.386) 8.703 6.852 ( -2.623 13.963 0.624) 14.221 7.057 ( -0.405 0.156 0.557) 0.707 7.252 ( -1.296 5.331 -1.251) 5.627 7.507 ( -4.804 2.282 3.185) 6.199 7.598 ( 2.608 3.885 -3.930) 6.111 7.615 ( -2.325 -0.301 -1.576) 2.825 7.916 ( -8.727 -2.853 2.742) 9.582 8.017 ( 2.785 -0.335 -3.877) 4.785 8.127 ( 1.375 5.434 -1.967) 5.940 8.161 ( -1.500 2.618 -0.528) 3.063 8.270 ( 2.367 4.261 0.379) 4.889 8.548 ( 2.834 0.457 2.438) 3.766 8.654 ( -3.347 0.793 -0.108) 3.442 8.784 ( 5.791 2.200 1.431) 6.358 9.196 ( -10.416 -0.623 7.577) 12.896 9.204 ( 1.516 0.019 1.192) 1.929 9.280 ( -9.333 0.004 -8.458) 12.595 9.532 ( 5.209 -1.052 -2.932) 6.069 9.728 ( 9.049 -0.239 -1.977) 9.266 9.795 ( -2.078 4.999 2.532) 5.977 10.086 ( -3.191 -3.484 -1.763) 5.042 10.263 ( 0.096 -6.819 -0.457) 6.835 10.300 ( 8.246 -1.050 1.751) 8.495 10.510 ( -5.699 -9.930 -4.028) 12.137 10.750 ( 0.454 0.458 4.246) 4.295 10.877 ( -1.579 -8.811 4.503) 10.021 11.268 ( 4.208 2.174 -3.213) 5.724 11.435 ( 14.917 5.883 0.579) 16.045 11.455 ( 4.457 -4.770 -0.486) 6.546 11.925 ( -0.054 -7.354 -0.949) 7.416 12.104 ( -1.744 0.979 -2.700) 3.360 12.123 ( 1.898 3.222 2.543) 4.522 12.224 ( 0.556 -1.101 0.101) 1.238 12.555 ( -1.733 5.298 2.281) 6.023 12.797 ( 1.773 -0.432 0.965) 2.064 12.987 ( -1.084 -0.702 -1.934) 2.325 13.295 ( -1.219 4.818 -1.694) 5.250 13.469 ( -0.697 -1.484 0.145) 1.646 13.639 ( -7.340 2.375 -1.850) 7.933 13.747 ( 0.482 2.191 0.853) 2.400 13.863 ( 1.605 -4.749 3.358) 6.034 14.051 ( 3.203 4.250 -0.933) 5.403 14.095 ( 6.261 -1.844 2.457) 6.974 14.191 ( 2.245 2.913 -2.098) 4.234 14.345 ( 2.082 -0.474 0.018) 2.136 14.477 ( -5.977 0.682 -0.605) 6.046 14.732 ( -3.353 0.948 0.352) 3.502 14.825 ( 3.160 -0.516 -0.639) 3.265 14.877 ( 1.847 -1.189 0.625) 2.284 14.965 ( 5.901 -2.585 -1.234) 6.560 15.013 ( 0.234 -1.597 2.348) 2.849 15.081 ( 1.627 -0.612 -2.455) 3.008 15.370 ( 0.406 3.065 -0.673) 3.164 15.488 ( 4.709 0.238 -0.384) 4.730 15.525 ( -3.603 1.658 -1.194) 4.142 15.816 ( 1.020 -3.648 1.509) 4.077 15.830 ( 0.295 -0.292 -0.351) 0.544 16.154 ( -4.872 8.065 -0.931) 9.468 16.299 ( 4.599 0.919 1.120) 4.822 16.482 ( -1.683 -2.294 0.525) 2.893 16.621 ( 1.248 2.696 0.413) 3.000 16.633 ( 3.054 -0.539 -0.015) 3.102 16.797 ( -1.304 -6.687 0.614) 6.840 17.099 ( -2.391 -6.235 -0.154) 6.679 17.143 ( -1.924 1.640 -0.156) 2.533 17.314 ( -1.414 -0.810 -0.435) 1.686 17.431 ( 1.241 1.648 -0.131) 2.067 18.126 ( -6.532 -7.320 0.064) 9.811 18.320 ( 1.737 -19.583 -1.751) 19.737 18.559 ( -2.890 -18.698 0.360) 18.923 19.033 ( -5.725 2.269 -0.071) 6.159 19.302 ( -1.131 14.408 5.822) 15.581 19.367 ( -0.979 9.202 2.397) 9.560 20.000 ( 5.392 21.089 -5.210) 22.382 ======================= Grid point 47 (42/72) ======================= q-point: ( 0.30 -0.30 -0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -7.571 13.311 0.000) 15.313 1.589 ( -12.047 2.023 -0.000) 12.216 1.739 ( -7.013 1.700 -0.000) 7.216 2.008 ( -3.268 -1.676 -0.000) 3.673 2.089 ( -8.928 -5.010 -0.000) 10.238 2.094 ( -1.208 -0.267 -0.000) 1.237 2.549 ( -7.613 -0.465 -0.000) 7.627 2.585 ( -0.805 -0.236 -0.000) 0.839 2.719 ( -2.786 4.414 0.000) 5.220 2.751 ( 5.907 7.470 0.000) 9.524 3.096 ( -3.592 5.600 0.000) 6.653 3.151 ( 8.400 -7.727 -0.000) 11.413 3.284 ( -4.370 2.780 -0.000) 5.179 3.558 ( -3.879 -6.540 -0.000) 7.603 4.113 ( 5.141 -3.813 0.000) 6.400 4.412 ( 2.579 10.127 0.000) 10.450 4.444 ( -10.390 5.888 -0.000) 11.943 5.171 ( 6.989 1.659 0.000) 7.183 5.558 ( -2.823 -3.570 -0.000) 4.552 5.873 ( 3.947 -2.107 0.000) 4.474 6.060 ( -2.406 -0.966 -0.000) 2.592 6.149 ( 3.546 1.761 0.000) 3.960 6.330 ( 5.291 4.449 0.000) 6.913 6.497 ( 8.644 8.014 0.000) 11.788 6.736 ( -1.622 -8.347 -0.000) 8.503 7.062 ( 4.903 -1.498 0.000) 5.127 7.154 ( 1.757 -1.798 -0.000) 2.514 7.178 ( -2.519 3.060 0.000) 3.964 7.450 ( -10.271 -2.619 -0.000) 10.600 7.525 ( 3.245 -4.570 -0.000) 5.605 7.551 ( -12.588 0.308 -0.000) 12.592 7.788 ( -6.681 -2.061 -0.000) 6.991 7.970 ( 0.908 2.873 0.000) 3.013 8.024 ( -0.295 4.032 0.000) 4.043 8.441 ( 5.570 -6.814 -0.000) 8.801 8.468 ( -2.177 -13.118 -0.000) 13.297 8.632 ( 8.448 -8.623 -0.000) 12.071 8.833 ( -1.153 1.733 0.000) 2.082 8.971 ( -5.575 -0.222 -0.000) 5.580 8.979 ( -10.966 -0.391 -0.000) 10.973 9.245 ( -8.025 0.953 -0.000) 8.081 9.392 ( -6.992 0.143 -0.000) 6.993 9.463 ( 16.815 -8.667 0.000) 18.918 9.519 ( -3.509 6.995 0.000) 7.826 9.891 ( -12.412 10.284 0.000) 16.119 9.992 ( 5.743 -0.014 0.000) 5.743 10.138 ( 6.491 10.477 0.000) 12.325 10.191 ( -19.545 2.720 -0.000) 19.733 10.317 ( 10.037 2.444 0.000) 10.330 10.850 ( 19.912 1.243 0.000) 19.950 10.917 ( 0.154 4.277 0.000) 4.280 11.266 ( 13.897 -2.934 0.000) 14.204 11.297 ( -1.428 2.944 0.000) 3.272 11.494 ( 4.463 -2.776 0.000) 5.256 11.734 ( -2.006 7.193 0.000) 7.467 12.051 ( -0.889 -3.328 -0.000) 3.445 12.177 ( 0.032 0.520 0.000) 0.521 12.299 ( 2.442 -1.308 0.000) 2.771 12.703 ( 4.491 -5.717 -0.000) 7.270 12.835 ( 5.021 1.146 0.000) 5.150 12.940 ( -9.509 3.451 -0.000) 10.115 13.257 ( -7.772 -1.115 -0.000) 7.852 13.498 ( -3.676 -0.408 -0.000) 3.698 13.556 ( 1.660 -7.776 -0.000) 7.952 13.812 ( -0.053 2.218 0.000) 2.218 13.910 ( 3.079 4.069 0.000) 5.103 14.068 ( 7.721 -0.993 0.000) 7.784 14.158 ( -11.598 -2.690 -0.000) 11.906 14.322 ( 2.656 -1.004 0.000) 2.840 14.357 ( 3.288 0.210 0.000) 3.295 14.446 ( -0.241 3.128 0.000) 3.137 14.727 ( 2.782 -1.393 0.000) 3.111 14.763 ( 0.456 -1.453 -0.000) 1.523 14.824 ( 3.687 3.925 0.000) 5.385 14.850 ( 0.472 3.449 0.000) 3.481 15.022 ( 3.980 -6.050 -0.000) 7.242 15.119 ( -2.207 -0.588 -0.000) 2.284 15.374 ( -0.655 -2.016 -0.000) 2.120 15.411 ( -2.425 -2.595 -0.000) 3.552 15.571 ( 0.326 -1.190 -0.000) 1.233 15.805 ( 0.910 1.945 0.000) 2.147 15.863 ( 0.350 0.815 0.000) 0.886 16.258 ( -1.271 -3.936 -0.000) 4.136 16.332 ( 2.442 -2.591 -0.000) 3.560 16.440 ( 1.175 6.743 0.000) 6.845 16.548 ( -0.005 2.184 0.000) 2.184 16.649 ( 2.474 -3.898 -0.000) 4.617 16.787 ( -1.834 3.040 0.000) 3.550 17.136 ( 3.033 -2.010 0.000) 3.639 17.206 ( -0.778 8.473 0.000) 8.509 17.262 ( -4.766 -4.824 -0.000) 6.782 17.310 ( -0.036 -1.296 -0.000) 1.297 17.799 ( -6.300 16.462 0.000) 17.626 17.976 ( 3.314 12.596 0.000) 13.025 18.491 ( -4.316 7.060 0.000) 8.275 18.880 ( -2.090 -1.573 -0.000) 2.616 19.500 ( 5.651 -6.643 -0.000) 8.721 19.791 ( 9.752 -10.359 -0.000) 14.227 20.365 ( -8.355 -15.603 -0.000) 17.699 ======================= Grid point 49 (43/72) ======================= q-point: ( 0.47 0.28 -0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 2.103 1.546 6.279) 6.800 1.587 ( 5.862 -1.093 -0.923) 6.034 1.782 ( 2.120 5.386 8.876) 10.596 1.801 ( 4.535 -2.495 4.707) 6.996 1.955 ( 4.527 -5.679 0.669) 7.293 2.116 ( -1.807 1.927 1.085) 2.856 2.321 ( 1.440 1.341 5.257) 5.613 2.543 ( -1.356 -1.487 -3.557) 4.086 2.701 ( 4.803 -5.431 -5.078) 8.851 2.766 ( 3.131 3.133 2.174) 4.934 3.021 ( 1.594 -3.202 -4.477) 5.730 3.220 ( -4.674 0.428 -2.700) 5.415 3.332 ( 2.006 -1.091 -1.285) 2.620 3.501 ( 2.044 -0.882 6.957) 7.304 4.167 ( -5.221 2.724 0.597) 5.919 4.485 ( 3.643 18.826 1.386) 19.226 4.858 ( 0.485 3.622 1.692) 4.027 5.322 ( -5.351 4.879 -10.836) 13.033 5.476 ( 0.413 -7.879 -2.847) 8.388 5.693 ( 1.937 -17.526 -1.805) 17.724 6.139 ( -2.347 7.883 -3.189) 8.821 6.335 ( -4.175 -5.254 7.825) 10.308 6.442 ( -6.481 2.286 0.613) 6.899 6.584 ( -2.668 9.291 -3.212) 10.186 6.667 ( -1.312 2.690 -1.835) 3.511 6.913 ( 1.188 -4.751 -6.287) 7.970 7.010 ( -2.474 2.153 4.626) 5.670 7.159 ( 6.575 -4.019 0.340) 7.714 7.271 ( 4.873 1.534 -1.288) 5.269 7.469 ( 9.443 -0.617 2.850) 9.883 7.501 ( 9.159 -0.210 1.291) 9.252 7.804 ( -4.743 -7.921 0.332) 9.239 7.927 ( 6.750 -12.470 2.860) 14.466 7.999 ( 2.184 -6.527 4.512) 8.230 8.177 ( -4.519 -0.449 -1.082) 4.669 8.366 ( -7.102 5.290 2.379) 9.170 8.474 ( 2.219 -0.247 -0.820) 2.378 8.735 ( 0.541 3.877 -5.333) 6.616 8.768 ( 1.671 -0.805 4.054) 4.458 8.951 ( 4.109 1.107 1.684) 4.577 9.196 ( 0.216 -4.295 -6.389) 7.702 9.263 ( 8.201 -4.547 -3.182) 9.902 9.498 ( 1.871 0.960 0.814) 2.256 9.815 ( -4.089 -2.277 7.062) 8.472 9.899 ( -6.486 -2.681 1.820) 7.250 10.041 ( 1.621 -9.139 0.719) 9.310 10.295 ( -1.273 11.890 -2.019) 12.127 10.537 ( -10.115 7.857 -0.567) 12.821 10.672 ( -8.890 -4.641 -1.950) 10.216 11.050 ( -8.046 2.836 2.605) 8.920 11.138 ( -7.449 -3.616 0.152) 8.282 11.440 ( -2.960 10.323 -0.530) 10.752 11.523 ( 10.994 3.534 -3.254) 11.998 11.702 ( -2.220 2.633 5.613) 6.586 11.959 ( 8.764 -1.028 -1.763) 8.999 12.145 ( -4.204 -1.760 -0.442) 4.579 12.293 ( -9.198 -3.780 -1.446) 10.049 12.391 ( -7.462 3.334 1.751) 8.358 12.563 ( -14.411 2.221 -4.555) 15.276 12.835 ( -0.751 3.011 -0.716) 3.185 13.004 ( 3.807 -4.672 3.401) 6.921 13.168 ( 10.462 0.011 -1.227) 10.533 13.305 ( 4.815 -1.159 -0.682) 4.999 13.554 ( -2.927 -7.633 2.079) 8.435 13.722 ( 1.946 -1.272 -4.352) 4.934 13.799 ( 1.754 1.239 0.430) 2.190 14.162 ( -0.015 8.050 3.072) 8.616 14.267 ( -6.412 3.907 -2.163) 7.814 14.287 ( 0.339 -2.975 2.787) 4.090 14.496 ( -1.597 -1.849 -3.455) 4.231 14.634 ( -11.621 -5.344 3.942) 13.385 14.659 ( 0.871 -2.223 0.518) 2.443 14.932 ( -3.304 -0.779 -2.294) 4.097 14.973 ( -1.263 0.065 -0.035) 1.266 15.054 ( -0.807 2.529 -0.535) 2.708 15.166 ( -0.533 1.468 0.097) 1.565 15.186 ( -2.155 -0.670 -0.359) 2.285 15.368 ( -2.022 -1.713 4.797) 5.480 15.627 ( 2.233 1.542 -1.202) 2.968 15.695 ( -6.375 -1.752 -0.919) 6.675 15.838 ( -3.970 -3.086 -0.632) 5.068 16.007 ( -4.908 -4.621 4.226) 7.956 16.134 ( -0.320 0.116 1.971) 2.001 16.416 ( -5.933 2.635 -2.860) 7.094 16.454 ( -5.266 2.518 -0.259) 5.843 16.635 ( -0.407 2.534 -2.342) 3.474 16.679 ( 4.363 1.609 2.611) 5.333 16.844 ( 2.434 1.490 -1.771) 3.359 16.866 ( -2.621 2.022 -2.510) 4.154 17.001 ( 6.539 0.404 4.593) 8.001 17.228 ( 5.070 -5.359 0.533) 7.396 17.440 ( 2.208 0.017 1.182) 2.504 17.909 ( 2.644 9.769 -1.005) 10.170 17.934 ( 15.358 -6.353 -4.811) 17.303 18.407 ( 7.486 12.594 4.671) 15.378 18.593 ( 5.512 18.750 -7.043) 20.774 18.786 ( 7.927 -5.121 -4.316) 10.378 19.458 ( -3.246 -5.984 -2.467) 7.241 20.537 ( -7.267 -15.884 9.322) 19.799 ======================= Grid point 50 (44/72) ======================= q-point: ( 0.14 -0.14 -0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -18.391 0.000 -0.000) 18.391 1.182 ( -24.638 0.000 -0.000) 24.638 1.561 ( -8.856 0.000 -0.000) 8.856 1.847 ( -19.579 0.000 -0.000) 19.579 2.004 ( -3.288 0.000 -0.000) 3.288 2.043 ( -3.574 0.000 -0.000) 3.574 2.295 ( -27.974 0.000 -0.000) 27.974 2.457 ( -2.207 0.000 -0.000) 2.207 2.668 ( 5.495 -0.000 0.000) 5.495 2.743 ( 4.422 -0.000 0.000) 4.422 2.853 ( -1.140 0.000 -0.000) 1.140 3.380 ( 0.684 -0.000 0.000) 0.684 3.381 ( 7.412 -0.000 0.000) 7.412 3.597 ( -1.371 0.000 -0.000) 1.371 4.144 ( -12.041 0.000 -0.000) 12.041 4.234 ( 1.406 -0.000 0.000) 1.406 4.378 ( 7.553 -0.000 0.000) 7.553 5.351 ( 10.817 -0.000 0.000) 10.817 5.463 ( -5.943 0.000 -0.000) 5.943 5.896 ( -5.795 0.000 -0.000) 5.795 6.129 ( 11.815 -0.000 0.000) 11.815 6.386 ( 8.309 -0.000 0.000) 8.309 6.409 ( 12.869 -0.000 0.000) 12.869 6.558 ( 8.587 -0.000 0.000) 8.587 6.786 ( -4.180 0.000 -0.000) 4.180 7.064 ( -2.091 0.000 -0.000) 2.091 7.170 ( 3.977 -0.000 0.000) 3.977 7.181 ( -13.210 0.000 -0.000) 13.210 7.207 ( 1.993 -0.000 0.000) 1.993 7.394 ( -5.779 0.000 -0.000) 5.779 7.587 ( -2.906 0.000 -0.000) 2.906 7.751 ( 0.763 -0.000 0.000) 0.763 7.964 ( -3.338 0.000 -0.000) 3.338 7.980 ( 4.337 -0.000 0.000) 4.337 8.481 ( -11.870 0.000 -0.000) 11.870 8.485 ( -20.499 0.000 -0.000) 20.499 8.694 ( -4.866 0.000 -0.000) 4.866 8.819 ( -8.802 0.000 -0.000) 8.802 8.895 ( 16.040 -0.000 0.000) 16.040 9.037 ( 4.765 -0.000 0.000) 4.765 9.164 ( 5.077 -0.000 0.000) 5.077 9.185 ( -10.857 0.000 -0.000) 10.857 9.307 ( -1.394 0.000 -0.000) 1.394 9.412 ( -17.867 0.000 -0.000) 17.867 10.000 ( 12.477 -0.000 0.000) 12.477 10.025 ( -4.948 0.000 -0.000) 4.948 10.046 ( 4.311 -0.000 0.000) 4.311 10.150 ( 15.311 -0.000 0.000) 15.311 10.516 ( 11.329 -0.000 0.000) 11.329 10.562 ( -21.332 0.000 -0.000) 21.332 11.172 ( 9.218 -0.000 0.000) 9.218 11.336 ( 8.601 -0.000 0.000) 8.601 11.516 ( -1.736 0.000 -0.000) 1.736 11.755 ( 18.436 -0.000 0.000) 18.436 11.854 ( 22.470 -0.000 0.000) 22.470 12.031 ( -4.447 0.000 -0.000) 4.447 12.134 ( -1.368 0.000 -0.000) 1.368 12.457 ( 11.766 -0.000 0.000) 11.766 12.653 ( -13.856 0.000 -0.000) 13.856 12.837 ( 2.385 -0.000 0.000) 2.385 12.900 ( 2.296 -0.000 0.000) 2.296 13.121 ( -5.695 0.000 -0.000) 5.695 13.424 ( -4.982 0.000 -0.000) 4.982 13.693 ( -1.335 0.000 -0.000) 1.335 13.761 ( 1.435 -0.000 0.000) 1.435 13.902 ( 0.820 -0.000 0.000) 0.820 13.903 ( -11.752 0.000 -0.000) 11.752 14.167 ( -9.747 0.000 -0.000) 9.747 14.203 ( 6.433 -0.000 0.000) 6.433 14.494 ( 8.240 -0.000 0.000) 8.240 14.622 ( 11.904 -0.000 0.000) 11.904 14.809 ( 2.905 -0.000 0.000) 2.905 14.812 ( 1.178 -0.000 0.000) 1.178 14.864 ( 6.223 -0.000 0.000) 6.223 14.892 ( 6.604 -0.000 0.000) 6.604 15.059 ( -4.111 0.000 -0.000) 4.111 15.240 ( 8.306 -0.000 0.000) 8.306 15.387 ( -2.776 0.000 -0.000) 2.776 15.409 ( 1.151 -0.000 0.000) 1.151 15.605 ( -1.011 0.000 -0.000) 1.011 15.814 ( 1.917 -0.000 0.000) 1.917 15.856 ( -2.864 0.000 -0.000) 2.864 16.362 ( 10.003 -0.000 0.000) 10.003 16.391 ( -1.966 0.000 -0.000) 1.966 16.450 ( -1.910 0.000 -0.000) 1.910 16.454 ( 2.768 -0.000 0.000) 2.768 16.684 ( -4.424 0.000 -0.000) 4.424 16.734 ( -1.434 0.000 -0.000) 1.434 16.993 ( -4.991 0.000 -0.000) 4.991 17.145 ( -5.620 0.000 -0.000) 5.620 17.326 ( 1.365 -0.000 0.000) 1.365 17.336 ( 3.110 -0.000 0.000) 3.110 17.478 ( -4.660 0.000 -0.000) 4.660 17.856 ( 1.015 -0.000 0.000) 1.015 18.295 ( -7.716 0.000 -0.000) 7.716 18.812 ( -5.810 0.000 -0.000) 5.810 19.661 ( 3.717 -0.000 0.000) 3.717 20.072 ( 7.406 -0.000 0.000) 7.406 20.435 ( -4.660 0.000 -0.000) 4.660 ======================= Grid point 51 (45/72) ======================= q-point: (-0.36 -0.14 -0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -11.960 0.000 -0.000) 11.960 1.691 ( -3.536 -0.000 -0.000) 3.536 1.814 ( -1.221 0.000 0.000) 1.221 1.884 ( -9.744 0.000 0.000) 9.744 1.992 ( -4.582 0.000 0.000) 4.582 2.066 ( 3.617 0.000 0.000) 3.617 2.357 ( -3.783 0.000 0.000) 3.783 2.438 ( -1.303 -0.000 -0.000) 1.303 2.663 ( 4.146 0.000 0.000) 4.146 2.918 ( -2.091 0.000 0.000) 2.091 3.137 ( -4.918 0.000 0.000) 4.918 3.286 ( -0.093 -0.000 0.000) 0.093 3.300 ( 1.569 0.000 -0.000) 1.569 3.507 ( -8.502 0.000 -0.000) 8.502 4.054 ( 6.225 0.000 0.000) 6.225 4.746 ( 3.010 0.000 -0.000) 3.010 4.862 ( 3.802 0.000 0.000) 3.802 5.205 ( -2.474 0.000 0.000) 2.474 5.462 ( -2.253 0.000 0.000) 2.253 5.859 ( -6.652 0.000 0.000) 6.652 6.056 ( 3.690 0.000 0.000) 3.690 6.207 ( 3.873 0.000 -0.000) 3.873 6.286 ( 6.007 0.000 0.000) 6.007 6.638 ( -1.060 0.000 0.000) 1.060 6.780 ( 7.628 0.000 -0.000) 7.628 6.831 ( 11.938 -0.000 0.000) 11.938 7.020 ( 0.969 0.000 0.000) 0.969 7.129 ( -1.682 0.000 -0.000) 1.682 7.359 ( -15.141 0.000 -0.000) 15.141 7.425 ( -4.873 0.000 0.000) 4.873 7.527 ( -0.784 0.000 -0.000) 0.784 7.754 ( -11.935 0.000 0.000) 11.935 8.033 ( -3.382 0.000 0.000) 3.382 8.104 ( 0.786 0.000 0.000) 0.786 8.138 ( -0.869 0.000 0.000) 0.869 8.308 ( 0.075 0.000 0.000) 0.075 8.568 ( -3.320 0.000 0.000) 3.320 8.664 ( 0.190 0.000 0.000) 0.190 8.686 ( 0.475 0.000 0.000) 0.475 9.028 ( -3.259 0.000 0.000) 3.259 9.304 ( 11.718 0.000 0.000) 11.718 9.369 ( 11.387 0.000 0.000) 11.387 9.477 ( -11.628 0.000 -0.000) 11.628 9.589 ( -9.434 0.000 0.000) 9.434 9.934 ( -9.936 0.000 0.000) 9.936 9.939 ( 3.938 -0.000 -0.000) 3.938 10.427 ( 8.813 0.000 -0.000) 8.813 10.456 ( 0.699 0.000 0.000) 0.699 10.643 ( 3.072 0.000 -0.000) 3.072 10.772 ( 10.987 0.000 0.000) 10.987 10.960 ( 2.952 0.000 0.000) 2.952 11.379 ( 9.558 0.000 0.000) 9.558 11.557 ( 5.334 0.000 0.000) 5.334 11.863 ( 22.555 0.000 0.000) 22.555 11.882 ( -12.113 -0.000 -0.000) 12.113 12.063 ( -2.661 0.000 0.000) 2.661 12.151 ( 4.332 0.000 0.000) 4.332 12.289 ( 4.454 0.000 0.000) 4.454 12.519 ( 5.653 0.000 0.000) 5.653 12.849 ( 2.701 0.000 0.000) 2.701 12.920 ( -6.085 0.000 -0.000) 6.085 13.240 ( 0.135 0.000 0.000) 0.135 13.417 ( -3.922 0.000 -0.000) 3.922 13.460 ( -7.528 0.000 0.000) 7.528 13.761 ( 2.487 0.000 0.000) 2.487 13.883 ( -4.038 0.000 -0.000) 4.038 14.179 ( 12.637 0.000 -0.000) 12.637 14.247 ( 5.369 0.000 -0.000) 5.369 14.266 ( -10.384 0.000 0.000) 10.384 14.320 ( 10.914 0.000 0.000) 10.914 14.445 ( 7.096 0.000 0.000) 7.096 14.602 ( -6.524 -0.000 -0.000) 6.524 14.899 ( 3.272 0.000 0.000) 3.272 14.980 ( -0.001 0.000 0.000) 0.001 15.041 ( 6.550 0.000 0.000) 6.550 15.130 ( 5.594 0.000 0.000) 5.594 15.161 ( 2.589 0.000 0.000) 2.589 15.298 ( -6.105 0.000 0.000) 6.105 15.439 ( 4.379 0.000 0.000) 4.379 15.671 ( 12.135 0.000 0.000) 12.135 15.822 ( -0.436 0.000 0.000) 0.436 15.883 ( -7.756 0.000 0.000) 7.756 15.994 ( 5.513 0.000 0.000) 5.513 16.385 ( 3.186 0.000 0.000) 3.186 16.476 ( 0.727 0.000 0.000) 0.727 16.620 ( 2.099 0.000 0.000) 2.099 16.745 ( 6.124 0.000 0.000) 6.124 16.831 ( -4.855 0.000 0.000) 4.855 16.994 ( -4.861 -0.000 0.000) 4.861 17.131 ( -5.502 0.000 0.000) 5.502 17.226 ( -6.439 0.000 -0.000) 6.439 17.481 ( 3.254 0.000 0.000) 3.254 18.043 ( -10.851 0.000 0.000) 10.851 18.350 ( -17.443 0.000 0.000) 17.443 18.723 ( -11.398 0.000 -0.000) 11.398 18.835 ( -3.003 -0.000 -0.000) 3.003 19.003 ( -4.212 0.000 -0.000) 4.212 19.466 ( 9.273 -0.000 0.000) 9.273 19.879 ( 10.368 0.000 -0.000) 10.368 ======================= Grid point 53 (46/72) ======================= q-point: ( 0.32 0.43 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -0.218 4.931 3.812) 6.237 1.728 ( 9.558 0.185 6.164) 11.375 1.773 ( 3.151 2.997 4.176) 6.029 1.883 ( -0.847 -1.168 -3.656) 3.931 2.011 ( 3.409 0.606 1.852) 3.927 2.186 ( 8.314 0.939 7.001) 10.910 2.403 ( 6.120 -2.720 4.290) 7.953 2.537 ( 1.622 2.220 0.598) 2.813 2.765 ( 1.270 0.686 4.831) 5.042 2.865 ( -9.181 -3.549 -1.122) 9.907 3.075 ( -4.999 0.237 -5.018) 7.087 3.130 ( 2.061 -1.910 -10.881) 11.238 3.344 ( 3.859 0.420 2.199) 4.461 3.567 ( 1.926 -1.444 6.546) 6.975 4.022 ( 1.170 3.885 -2.987) 5.039 4.297 ( 2.950 7.545 0.691) 8.131 4.695 ( -4.123 6.896 7.588) 11.051 5.173 ( 0.234 4.012 -16.785) 17.260 5.662 ( 2.088 -6.169 -2.603) 7.014 5.921 ( -4.705 -1.215 -0.835) 4.931 5.984 ( -4.377 -8.482 -4.023) 10.358 6.210 ( -3.266 7.807 3.477) 9.149 6.295 ( -1.894 5.300 0.566) 5.657 6.438 ( -6.493 -1.041 2.405) 7.001 6.701 ( -0.515 -4.765 3.226) 5.778 6.915 ( 1.206 -0.174 2.512) 2.792 7.088 ( 2.788 -3.887 -3.558) 5.961 7.322 ( 2.329 -1.448 -0.540) 2.795 7.381 ( 3.820 -0.359 -4.470) 5.891 7.623 ( 1.890 2.088 -0.254) 2.828 7.695 ( 6.452 -5.236 5.919) 10.202 7.890 ( 9.613 -2.138 -1.609) 9.978 8.087 ( 0.989 1.957 -0.167) 2.199 8.119 ( -0.775 0.685 1.658) 1.954 8.146 ( -0.633 -0.839 2.973) 3.153 8.428 ( -0.612 -5.482 2.778) 6.176 8.577 ( -8.608 1.946 -7.199) 11.389 8.644 ( 10.977 -12.671 0.227) 16.766 8.789 ( -2.961 -5.681 2.893) 7.030 9.032 ( 9.351 4.071 -0.235) 10.201 9.323 ( -8.708 -13.743 -1.035) 16.303 9.506 ( 0.429 -3.245 3.884) 5.079 9.653 ( 2.028 1.215 0.689) 2.462 9.671 ( 7.235 5.218 1.823) 9.105 9.787 ( 1.350 6.267 2.674) 6.946 9.933 ( -0.798 7.670 2.381) 8.070 10.144 ( -6.431 -0.864 1.006) 6.566 10.312 ( -3.821 2.121 -6.370) 7.725 10.418 ( -9.544 10.294 -1.285) 14.096 10.694 ( -17.075 4.182 4.127) 18.058 10.997 ( -12.339 -2.629 -2.071) 12.784 11.224 ( 0.628 4.664 -0.324) 4.717 11.568 ( -4.362 2.920 -1.050) 5.353 11.749 ( 1.993 -0.705 5.264) 5.673 11.967 ( -12.265 -4.283 -2.166) 13.170 12.068 ( 0.462 0.036 0.350) 0.581 12.205 ( -10.100 4.140 -4.634) 11.858 12.248 ( -2.404 1.367 2.518) 3.740 12.395 ( 9.452 -2.505 -3.476) 10.377 12.755 ( -0.281 2.407 -2.100) 3.207 13.154 ( -2.253 -4.616 3.957) 6.484 13.377 ( 6.094 -4.560 2.335) 7.961 13.477 ( 7.700 -2.341 -0.654) 8.074 13.564 ( -3.220 -1.964 -0.257) 3.780 13.749 ( -0.905 4.380 0.420) 4.492 13.790 ( 1.517 -1.330 -2.099) 2.911 14.001 ( 3.503 7.032 -0.620) 7.881 14.075 ( -5.288 0.493 -1.315) 5.471 14.353 ( 0.091 1.547 2.093) 2.605 14.510 ( -2.234 -2.950 0.571) 3.744 14.584 ( -8.266 -8.059 7.402) 13.714 14.697 ( -3.656 -1.460 -2.695) 4.771 14.837 ( -3.695 1.559 -1.512) 4.286 14.922 ( -1.643 2.328 -1.554) 3.246 14.944 ( -7.739 0.842 -0.977) 7.846 15.088 ( -0.510 0.689 3.271) 3.381 15.184 ( -3.227 -5.749 -1.806) 6.836 15.432 ( 2.439 -1.547 1.885) 3.449 15.598 ( -4.728 0.743 -2.052) 5.208 15.610 ( -5.997 -2.574 -1.906) 6.799 15.741 ( -0.698 4.808 3.420) 5.941 15.870 ( -5.129 3.644 0.270) 6.298 16.218 ( 2.525 -1.314 0.203) 2.854 16.354 ( -2.516 -3.213 -3.512) 5.384 16.464 ( 1.849 -5.899 1.149) 6.288 16.544 ( -1.731 5.993 -2.165) 6.603 16.667 ( -3.624 -0.237 -5.916) 6.941 16.739 ( 1.960 0.581 4.560) 4.997 16.908 ( 3.565 1.400 3.208) 4.997 17.092 ( 4.292 2.019 2.774) 5.495 17.301 ( 1.115 5.813 1.048) 6.011 17.474 ( -0.155 -2.768 -2.697) 3.868 17.747 ( 6.436 7.054 0.733) 9.577 17.986 ( -1.110 20.450 -2.258) 20.604 18.299 ( 7.853 2.780 8.188) 11.681 18.743 ( 17.889 -2.302 -12.656) 22.033 19.178 ( 13.679 -7.212 -2.607) 15.682 19.574 ( -1.304 -7.686 -1.098) 7.873 20.669 ( -9.053 -11.736 6.273) 16.095 ======================= Grid point 58 (47/72) ======================= q-point: ( 0.16 -0.41 -0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -4.884 -0.000 2.112) 5.321 1.754 ( -0.074 -0.000 0.591) 0.595 1.822 ( -6.746 0.000 -3.912) 7.798 1.918 ( 7.770 -0.000 5.276) 9.392 2.105 ( 3.114 0.000 -1.398) 3.413 2.343 ( 5.285 -0.000 4.578) 6.992 2.482 ( 1.142 0.000 -2.201) 2.479 2.608 ( 3.527 -0.000 9.467) 10.103 2.631 ( -10.766 0.000 -0.359) 10.772 2.739 ( -3.287 -0.000 3.308) 4.663 3.001 ( 0.085 0.000 -3.091) 3.092 3.205 ( 5.094 0.000 -13.425) 14.359 3.411 ( -2.702 -0.000 0.654) 2.780 3.617 ( 0.253 -0.000 5.090) 5.096 4.088 ( 7.523 0.000 -3.732) 8.398 4.237 ( 0.107 0.000 -0.032) 0.112 4.488 ( -7.421 -0.000 6.703) 10.000 5.180 ( 4.547 0.000 -16.140) 16.768 5.725 ( -3.168 0.000 -1.500) 3.505 5.900 ( -0.575 0.000 -5.629) 5.658 5.999 ( -1.250 -0.000 13.402) 13.460 6.094 ( -2.280 -0.000 0.559) 2.347 6.213 ( 3.904 -0.000 0.683) 3.963 6.310 ( -5.033 0.000 -0.672) 5.077 6.734 ( -0.994 -0.000 7.852) 7.915 6.955 ( 2.229 -0.000 1.351) 2.607 7.246 ( 4.766 0.000 -10.119) 11.185 7.253 ( -2.648 0.000 -2.333) 3.529 7.536 ( 6.043 0.000 -3.150) 6.815 7.574 ( -1.278 0.000 -1.732) 2.153 7.873 ( -4.378 -0.000 4.961) 6.617 7.879 ( -8.397 -0.000 5.204) 9.879 8.016 ( -7.149 -0.000 1.636) 7.334 8.096 ( -2.480 0.000 -4.897) 5.489 8.307 ( 14.655 -0.000 0.613) 14.668 8.346 ( 1.325 0.000 -3.701) 3.931 8.575 ( 6.038 -0.000 1.602) 6.247 8.771 ( -0.638 -0.000 2.625) 2.701 9.069 ( 5.276 -0.000 2.230) 5.728 9.287 ( -13.646 -0.000 8.838) 16.258 9.368 ( 8.914 0.000 -2.566) 9.276 9.420 ( 1.828 -0.000 3.528) 3.973 9.458 ( -3.061 0.000 -1.947) 3.628 9.561 ( 2.583 0.000 -3.301) 4.192 9.707 ( -17.206 0.000 -5.465) 18.053 10.013 ( -3.520 -0.000 3.561) 5.007 10.029 ( -0.165 -0.000 6.436) 6.438 10.208 ( 6.965 0.000 -1.710) 7.171 10.375 ( -0.361 -0.000 3.974) 3.990 10.501 ( 21.368 0.000 -4.867) 21.915 10.684 ( -20.547 0.000 -4.157) 20.963 11.221 ( 2.910 -0.000 -0.148) 2.914 11.373 ( -8.381 0.000 -0.927) 8.432 11.677 ( -6.374 -0.000 1.143) 6.476 11.739 ( -14.846 -0.000 1.847) 14.961 12.109 ( 4.444 0.000 -2.956) 5.338 12.122 ( 2.346 -0.000 0.795) 2.477 12.237 ( 0.536 -0.000 1.926) 1.999 12.638 ( 9.485 0.000 -1.581) 9.615 12.742 ( 1.334 0.000 -0.893) 1.606 13.080 ( -7.506 -0.000 1.169) 7.596 13.458 ( -5.637 0.000 -2.513) 6.172 13.585 ( -1.182 -0.000 0.583) 1.318 13.617 ( 3.803 -0.000 6.605) 7.622 13.701 ( 3.298 0.000 -5.031) 6.016 13.846 ( 4.275 0.000 -5.901) 7.287 13.980 ( 0.447 -0.000 3.888) 3.914 14.087 ( 7.540 -0.000 2.034) 7.810 14.318 ( -3.225 -0.000 3.368) 4.663 14.476 ( -12.167 0.000 0.286) 12.170 14.533 ( -3.981 -0.000 4.965) 6.364 14.597 ( 2.895 -0.000 2.468) 3.804 14.754 ( -3.370 0.000 -4.159) 5.353 14.807 ( 0.215 0.000 -2.325) 2.335 14.889 ( -1.156 0.000 -4.766) 4.905 15.102 ( 0.572 -0.000 4.603) 4.639 15.170 ( -8.054 0.000 -2.641) 8.476 15.453 ( -1.613 0.000 -1.492) 2.197 15.492 ( -0.752 -0.000 0.523) 0.916 15.556 ( 0.164 0.000 -1.246) 1.257 15.733 ( 2.025 -0.000 1.207) 2.357 15.829 ( 2.109 0.000 -0.409) 2.149 16.244 ( -5.109 0.000 -0.006) 5.109 16.301 ( 4.323 0.000 -2.014) 4.769 16.420 ( 0.768 0.000 -3.503) 3.587 16.597 ( -2.808 0.000 -3.914) 4.817 16.723 ( 1.914 -0.000 1.885) 2.686 16.830 ( 5.475 -0.000 6.508) 8.505 16.887 ( -4.153 -0.000 2.236) 4.717 17.059 ( 2.926 -0.000 1.933) 3.507 17.251 ( 1.126 -0.000 2.641) 2.871 17.586 ( -3.008 0.000 -3.765) 4.820 17.593 ( -0.287 -0.000 0.622) 0.685 17.843 ( 4.216 0.000 -6.262) 7.549 18.316 ( -0.425 -0.000 11.481) 11.489 19.008 ( 5.380 0.000 -8.717) 10.244 19.487 ( 7.936 0.000 -4.985) 9.372 19.708 ( 5.924 -0.000 1.591) 6.134 20.644 ( -7.074 -0.000 3.667) 7.968 ======================= Grid point 59 (48/72) ======================= q-point: (-0.17 0.17 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -0.000 -21.903 -0.000) 21.903 1.095 ( -0.000 -24.847 -0.000) 24.847 1.621 ( -0.000 -1.667 -0.000) 1.667 1.712 ( -0.000 -30.393 -0.000) 30.393 1.897 ( -0.000 -8.403 -0.000) 8.403 1.931 ( 0.000 1.343 0.000) 1.343 2.154 ( 0.000 4.437 0.000) 4.437 2.399 ( 0.000 2.149 0.000) 2.149 2.760 ( 0.000 0.712 0.000) 0.712 2.921 ( -0.000 -3.575 -0.000) 3.575 2.994 ( -0.000 -0.146 -0.000) 0.146 3.016 ( 0.000 10.403 0.000) 10.403 3.278 ( 0.000 2.153 0.000) 2.153 3.537 ( 0.000 0.198 0.000) 0.198 4.310 ( -0.000 -0.766 -0.000) 0.766 4.475 ( -0.000 -23.125 -0.000) 23.125 4.677 ( -0.000 -3.266 -0.000) 3.266 5.170 ( -0.000 -1.047 -0.000) 1.047 5.561 ( 0.000 27.325 0.000) 27.325 5.924 ( 0.000 2.131 0.000) 2.131 5.966 ( -0.000 -11.416 -0.000) 11.416 6.435 ( 0.000 6.244 0.000) 6.244 6.645 ( -0.000 -2.805 -0.000) 2.805 6.876 ( 0.000 11.471 0.000) 11.471 6.934 ( -0.000 -7.540 -0.000) 7.540 6.944 ( 0.000 10.450 0.000) 10.450 7.050 ( -0.000 -1.122 -0.000) 1.122 7.245 ( -0.000 -4.800 -0.000) 4.800 7.323 ( 0.000 0.860 0.000) 0.860 7.443 ( 0.000 4.081 0.000) 4.081 7.492 ( -0.000 -0.674 -0.000) 0.674 7.528 ( -0.000 -2.117 -0.000) 2.117 7.606 ( 0.000 15.492 0.000) 15.492 7.824 ( 0.000 0.537 0.000) 0.537 8.345 ( 0.000 4.184 0.000) 4.184 8.350 ( -0.000 -1.372 -0.000) 1.372 8.515 ( -0.000 -1.526 -0.000) 1.526 8.644 ( -0.000 -8.230 -0.000) 8.230 8.660 ( -0.000 -1.610 -0.000) 1.610 8.922 ( 0.000 0.440 0.000) 0.440 9.250 ( 0.000 5.183 0.000) 5.183 9.284 ( 0.000 12.299 0.000) 12.299 9.373 ( -0.000 -14.014 -0.000) 14.014 9.508 ( -0.000 -3.920 -0.000) 3.920 9.858 ( -0.000 -3.613 -0.000) 3.613 10.109 ( 0.000 10.092 0.000) 10.092 10.195 ( -0.000 -13.139 -0.000) 13.139 10.414 ( 0.000 2.760 0.000) 2.760 10.808 ( -0.000 -16.572 -0.000) 16.572 11.129 ( 0.000 1.452 0.000) 1.452 11.186 ( 0.000 2.005 0.000) 2.005 11.437 ( 0.000 3.500 0.000) 3.500 11.545 ( -0.000 -3.023 -0.000) 3.023 12.004 ( -0.000 -6.356 -0.000) 6.356 12.017 ( 0.000 2.867 0.000) 2.867 12.207 ( -0.000 -3.640 -0.000) 3.640 12.284 ( 0.000 13.427 0.000) 13.427 12.403 ( -0.000 -2.822 -0.000) 2.822 12.796 ( -0.000 -0.692 -0.000) 0.692 12.884 ( 0.000 2.043 0.000) 2.043 13.060 ( 0.000 1.634 0.000) 1.634 13.081 ( -0.000 -5.570 -0.000) 5.570 13.231 ( -0.000 -3.127 -0.000) 3.127 13.306 ( 0.000 10.932 0.000) 10.932 13.626 ( 0.000 2.444 0.000) 2.444 13.723 ( -0.000 -2.146 -0.000) 2.146 14.096 ( -0.000 -8.952 -0.000) 8.952 14.211 ( -0.000 -7.112 -0.000) 7.112 14.657 ( 0.000 6.524 0.000) 6.524 14.679 ( 0.000 1.422 0.000) 1.422 14.684 ( 0.000 1.839 0.000) 1.839 14.702 ( 0.000 12.952 0.000) 12.952 14.925 ( -0.000 -1.199 -0.000) 1.199 14.929 ( 0.000 0.294 0.000) 0.294 15.111 ( 0.000 0.100 0.000) 0.100 15.186 ( -0.000 -0.333 -0.000) 0.333 15.205 ( 0.000 1.602 0.000) 1.602 15.349 ( -0.000 -11.182 -0.000) 11.182 15.534 ( -0.000 -0.722 -0.000) 0.722 15.555 ( -0.000 -1.564 -0.000) 1.564 15.831 ( 0.000 1.924 0.000) 1.924 16.035 ( -0.000 -1.567 -0.000) 1.567 16.132 ( -0.000 -2.733 -0.000) 2.733 16.469 ( -0.000 -1.653 -0.000) 1.653 16.544 ( 0.000 1.671 0.000) 1.671 16.644 ( -0.000 -5.630 -0.000) 5.630 16.678 ( -0.000 -4.503 -0.000) 4.503 16.808 ( 0.000 3.127 0.000) 3.127 16.924 ( -0.000 -2.815 -0.000) 2.815 16.925 ( -0.000 -2.939 -0.000) 2.939 17.223 ( 0.000 9.577 0.000) 9.577 17.325 ( 0.000 0.541 0.000) 0.541 17.503 ( -0.000 -3.630 -0.000) 3.630 17.942 ( -0.000 -2.812 -0.000) 2.812 18.174 ( -0.000 -5.612 -0.000) 5.612 18.715 ( -0.000 -4.714 -0.000) 4.714 19.322 ( 0.000 18.328 0.000) 18.328 19.849 ( 0.000 16.550 0.000) 16.550 20.156 ( -0.000 -10.794 -0.000) 10.794 ======================= Grid point 60 (49/72) ======================= q-point: ( 0.33 0.17 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 0.000 5.188 25.477) 26.000 1.228 ( 0.000 4.988 21.217) 21.796 1.539 ( 0.000 3.752 0.792) 3.834 1.686 ( 0.000 2.023 -0.590) 2.107 1.977 ( 0.000 6.254 14.318) 15.624 2.061 ( 0.000 6.989 12.475) 14.299 2.146 ( 0.000 0.600 7.939) 7.961 2.320 ( -0.000 -0.892 -5.916) 5.983 2.651 ( -0.000 1.759 -5.858) 6.116 3.051 ( -0.000 -7.865 -7.347) 10.763 3.088 ( 0.000 -0.710 3.269) 3.345 3.155 ( 0.000 1.820 9.194) 9.373 3.377 ( -0.000 -4.546 -1.421) 4.763 3.474 ( -0.000 -1.369 -3.018) 3.314 4.028 ( 0.000 16.193 -0.885) 16.218 4.262 ( -0.000 -1.536 -1.566) 2.194 4.675 ( 0.000 4.803 3.478) 5.930 5.448 ( -0.000 5.436 -11.882) 13.066 5.780 ( -0.000 -10.741 -8.514) 13.706 6.033 ( 0.000 5.944 1.040) 6.035 6.181 ( -0.000 -18.830 2.264) 18.966 6.388 ( -0.000 -6.684 0.773) 6.729 6.504 ( 0.000 4.683 -5.825) 7.474 6.643 ( 0.000 1.156 -0.921) 1.477 6.707 ( -0.000 -0.884 -5.879) 5.945 6.945 ( 0.000 -0.809 2.249) 2.391 7.070 ( 0.000 7.398 4.848) 8.845 7.149 ( -0.000 -3.101 -3.299) 4.528 7.270 ( -0.000 -5.754 -10.607) 12.067 7.278 ( -0.000 0.308 -1.611) 1.640 7.392 ( 0.000 1.986 -3.317) 3.866 7.891 ( -0.000 -8.219 14.251) 16.451 7.973 ( 0.000 0.761 5.122) 5.178 8.024 ( -0.000 -8.995 0.582) 9.014 8.279 ( 0.000 4.752 5.145) 7.003 8.381 ( 0.000 4.061 -5.626) 6.939 8.456 ( 0.000 5.713 0.680) 5.753 8.555 ( -0.000 -11.948 2.560) 12.219 8.674 ( -0.000 -1.822 2.134) 2.806 9.070 ( -0.000 -4.846 -3.868) 6.200 9.269 ( -0.000 0.389 -5.011) 5.026 9.285 ( 0.000 2.928 3.939) 4.908 9.569 ( -0.000 -7.297 -4.770) 8.718 9.816 ( -0.000 -4.225 6.020) 7.355 9.969 ( 0.000 -4.371 8.670) 9.709 10.096 ( 0.000 15.054 -2.161) 15.208 10.169 ( -0.000 -4.179 0.626) 4.225 10.418 ( 0.000 -1.407 7.414) 7.546 10.925 ( 0.000 6.692 -2.928) 7.305 10.986 ( 0.000 2.656 7.693) 8.139 11.233 ( -0.000 -1.287 1.551) 2.015 11.296 ( -0.000 0.506 -6.578) 6.597 11.525 ( 0.000 2.231 2.970) 3.714 11.570 ( -0.000 5.866 -12.430) 13.745 11.889 ( -0.000 -0.966 -2.548) 2.725 12.189 ( 0.000 2.622 0.129) 2.625 12.376 ( 0.000 -0.775 4.785) 4.847 12.509 ( -0.000 -2.053 -1.140) 2.349 12.823 ( -0.000 1.640 -3.690) 4.038 12.863 ( 0.000 0.524 2.710) 2.760 12.974 ( -0.000 -0.976 -2.546) 2.727 12.986 ( -0.000 -0.734 -4.386) 4.447 13.270 ( 0.000 -1.050 5.396) 5.497 13.628 ( -0.000 -0.806 -0.005) 0.806 13.737 ( 0.000 1.159 2.071) 2.373 13.796 ( -0.000 -0.173 -0.866) 0.884 13.991 ( 0.000 5.779 -0.934) 5.854 14.215 ( -0.000 -1.692 2.173) 2.754 14.477 ( -0.000 -7.756 -2.867) 8.268 14.643 ( -0.000 -0.700 -2.570) 2.663 14.744 ( -0.000 -5.414 -3.258) 6.319 14.826 ( -0.000 -4.383 0.621) 4.427 14.962 ( 0.000 0.080 2.177) 2.179 14.975 ( 0.000 3.441 -1.980) 3.970 15.048 ( 0.000 2.113 0.160) 2.119 15.152 ( -0.000 0.432 -0.960) 1.052 15.231 ( -0.000 -0.425 -0.446) 0.616 15.416 ( -0.000 -13.021 4.235) 13.692 15.530 ( 0.000 1.175 0.724) 1.380 15.801 ( -0.000 -0.768 -2.703) 2.810 15.973 ( -0.000 -4.421 7.976) 9.120 16.051 ( -0.000 -5.019 6.869) 8.508 16.077 ( 0.000 0.190 2.872) 2.878 16.457 ( 0.000 3.037 -5.100) 5.936 16.469 ( 0.000 0.902 1.121) 1.439 16.610 ( -0.000 -2.612 0.208) 2.620 16.717 ( 0.000 3.196 2.962) 4.357 16.777 ( 0.000 3.843 -2.714) 4.705 16.780 ( 0.000 1.607 -1.726) 2.359 17.059 ( 0.000 2.524 7.032) 7.471 17.152 ( -0.000 -1.669 -8.707) 8.865 17.407 ( -0.000 0.986 -4.181) 4.295 17.533 ( 0.000 9.891 2.250) 10.143 17.962 ( 0.000 6.541 2.214) 6.906 18.086 ( 0.000 -2.118 6.111) 6.468 18.245 ( 0.000 26.621 -17.704) 31.971 18.831 ( -0.000 -0.240 -3.380) 3.389 19.668 ( -0.000 -6.033 -1.171) 6.145 20.702 ( -0.000 -12.786 10.499) 16.544 ======================= Grid point 63 (50/72) ======================= q-point: ( 0.18 0.32 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 6.761 -0.000 20.843) 21.912 1.238 ( 8.091 -0.000 22.736) 24.133 1.523 ( 4.834 -0.000 4.076) 6.323 1.774 ( 9.541 -0.000 -0.821) 9.577 1.918 ( 2.717 -0.000 15.644) 15.878 1.998 ( 1.162 -0.000 0.562) 1.291 2.284 ( 11.075 -0.000 11.341) 15.851 2.376 ( 4.201 -0.000 0.992) 4.317 2.598 ( -2.163 0.000 -4.617) 5.098 3.036 ( -6.284 -0.000 5.158) 8.130 3.094 ( -0.837 -0.000 5.575) 5.637 3.212 ( 4.047 0.000 -6.415) 7.585 3.443 ( -1.177 0.000 -4.652) 4.798 3.477 ( -0.955 0.000 -1.036) 1.409 3.887 ( 6.180 0.000 -1.482) 6.356 4.270 ( -1.341 0.000 -1.061) 1.710 4.582 ( -3.948 -0.000 4.019) 5.634 5.404 ( 2.319 0.000 -15.090) 15.267 5.885 ( -4.213 0.000 -9.302) 10.211 5.902 ( -4.225 -0.000 7.078) 8.243 6.269 ( -4.622 0.000 -6.304) 7.817 6.304 ( -8.261 0.000 -6.209) 10.334 6.534 ( -3.642 0.000 -0.384) 3.662 6.541 ( -14.171 0.000 -3.360) 14.564 6.693 ( -5.287 -0.000 8.066) 9.644 6.842 ( 2.345 0.000 -1.029) 2.561 7.120 ( 9.424 -0.000 2.518) 9.755 7.228 ( 0.032 0.000 -3.727) 3.728 7.330 ( 9.487 -0.000 -0.325) 9.492 7.462 ( 6.827 0.000 -2.089) 7.139 7.489 ( 10.614 0.000 -3.372) 11.137 7.874 ( -2.408 -0.000 4.425) 5.038 7.991 ( 2.641 0.000 -1.880) 3.242 8.094 ( -5.295 -0.000 11.285) 12.465 8.179 ( -4.779 -0.000 2.187) 5.256 8.393 ( 3.100 0.000 -3.097) 4.382 8.453 ( 11.260 -0.000 3.655) 11.839 8.835 ( 10.153 -0.000 2.266) 10.403 8.917 ( 13.959 -0.000 1.690) 14.061 9.004 ( -10.642 0.000 -7.473) 13.004 9.272 ( 6.437 -0.000 4.487) 7.847 9.339 ( -8.800 -0.000 5.951) 10.623 9.387 ( -8.883 0.000 0.275) 8.887 9.774 ( 0.311 0.000 -9.309) 9.314 9.879 ( -4.604 -0.000 4.199) 6.231 9.990 ( -14.372 -0.000 3.222) 14.729 10.265 ( 4.255 -0.000 3.581) 5.562 10.420 ( -5.148 0.000 -1.653) 5.407 10.534 ( -16.388 -0.000 7.926) 18.204 10.844 ( -10.756 -0.000 6.792) 12.721 11.221 ( -6.341 0.000 -8.298) 10.444 11.229 ( -2.967 0.000 -0.243) 2.977 11.540 ( 4.344 -0.000 3.700) 5.706 11.595 ( 6.754 0.000 -8.926) 11.193 12.049 ( 7.153 0.000 -2.506) 7.579 12.158 ( 0.977 -0.000 2.728) 2.898 12.301 ( -9.007 0.000 -1.552) 9.140 12.365 ( -7.001 -0.000 2.395) 7.399 12.614 ( -18.692 0.000 -5.934) 19.611 12.804 ( -1.344 0.000 -3.521) 3.769 13.025 ( 10.499 -0.000 3.932) 11.211 13.277 ( -1.049 -0.000 9.088) 9.149 13.288 ( 13.196 0.000 -1.691) 13.304 13.626 ( -0.094 0.000 -1.814) 1.817 13.726 ( 0.483 -0.000 0.587) 0.761 13.815 ( 1.589 -0.000 0.388) 1.636 13.919 ( -0.047 0.000 -3.480) 3.480 14.174 ( -4.174 0.000 -3.527) 5.465 14.388 ( -11.546 -0.000 3.016) 11.933 14.652 ( -3.400 -0.000 1.056) 3.560 14.786 ( -10.638 0.000 -2.596) 10.950 14.853 ( -2.098 0.000 -1.553) 2.610 14.866 ( -0.291 -0.000 1.180) 1.215 14.907 ( -5.191 -0.000 3.372) 6.190 14.988 ( 0.508 -0.000 0.430) 0.666 15.094 ( -8.386 0.000 -0.731) 8.418 15.273 ( 7.068 0.000 -1.093) 7.152 15.532 ( 0.222 -0.000 3.374) 3.381 15.618 ( -18.281 -0.000 8.949) 20.353 15.625 ( 0.023 0.000 -4.608) 4.608 15.821 ( 0.895 0.000 -2.287) 2.456 15.999 ( -12.909 -0.000 7.981) 15.177 16.237 ( 2.616 0.000 -3.103) 4.059 16.458 ( 2.822 0.000 -6.470) 7.058 16.468 ( 2.538 -0.000 2.942) 3.886 16.582 ( -8.687 -0.000 1.785) 8.868 16.635 ( -2.341 -0.000 1.909) 3.021 16.831 ( 2.079 -0.000 6.764) 7.077 16.879 ( 4.777 -0.000 -0.176) 4.780 16.903 ( 5.196 0.000 -7.691) 9.282 17.058 ( 0.069 0.000 -6.125) 6.126 17.465 ( 7.210 -0.000 4.828) 8.677 17.490 ( 2.087 -0.000 3.562) 4.129 17.857 ( 1.734 0.000 -8.178) 8.360 18.068 ( 2.652 -0.000 3.996) 4.796 18.549 ( 31.124 0.000 -11.268) 33.101 18.999 ( 17.142 0.000 -3.968) 17.596 19.718 ( -1.847 0.000 -1.081) 2.140 20.793 ( -5.261 -0.000 8.213) 9.754 ======================= Grid point 64 (51/72) ======================= q-point: (-0.32 0.32 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 10.293 -9.794 -0.000) 14.208 1.598 ( 2.815 -14.577 -0.000) 14.846 1.636 ( 1.945 1.153 0.000) 2.261 1.927 ( -5.599 -8.933 -0.000) 10.543 1.941 ( 4.176 0.470 0.000) 4.202 2.061 ( -1.700 0.168 -0.000) 1.708 2.388 ( 3.322 0.375 0.000) 3.343 2.403 ( 14.343 -7.327 0.000) 16.106 2.695 ( -5.778 11.049 0.000) 12.468 2.792 ( 0.481 -1.214 -0.000) 1.306 3.015 ( 6.595 4.878 0.000) 8.203 3.126 ( 5.351 -8.681 -0.000) 10.198 3.250 ( -1.445 -1.804 -0.000) 2.312 3.525 ( -2.324 -1.965 -0.000) 3.043 4.249 ( -4.743 2.399 -0.000) 5.315 4.765 ( 0.492 -1.869 -0.000) 1.933 4.962 ( -6.745 -24.767 -0.000) 25.669 4.999 ( 2.164 19.999 0.000) 20.116 5.294 ( 1.492 -5.403 -0.000) 5.605 5.743 ( 3.083 15.123 0.000) 15.434 6.171 ( -1.755 -5.433 -0.000) 5.710 6.358 ( -1.276 -1.123 -0.000) 1.700 6.519 ( -7.691 4.441 -0.000) 8.881 6.686 ( -3.461 8.289 0.000) 8.983 6.739 ( 3.350 3.797 0.000) 5.064 6.923 ( -1.093 9.985 0.000) 10.045 7.080 ( 6.746 -0.800 0.000) 6.794 7.152 ( -5.641 4.795 0.000) 7.404 7.306 ( -11.177 -15.764 -0.000) 19.324 7.349 ( 4.402 6.774 0.000) 8.078 7.554 ( 8.979 -0.447 0.000) 8.990 7.624 ( 1.355 -8.342 -0.000) 8.452 7.793 ( 15.920 -0.994 0.000) 15.951 7.909 ( 0.991 -5.624 -0.000) 5.711 8.212 ( -3.192 3.558 0.000) 4.780 8.378 ( -0.386 -1.972 -0.000) 2.009 8.528 ( 0.561 2.748 0.000) 2.805 8.724 ( -0.306 -2.692 -0.000) 2.710 8.796 ( -5.492 -12.732 -0.000) 13.866 8.887 ( -3.585 11.048 0.000) 11.615 9.119 ( 11.158 -4.960 0.000) 12.210 9.230 ( 7.251 10.970 0.000) 13.150 9.564 ( 0.648 0.731 0.000) 0.977 9.756 ( 4.303 -14.338 -0.000) 14.970 9.849 ( -9.640 -0.172 -0.000) 9.641 9.904 ( 0.040 -1.464 -0.000) 1.465 10.390 ( 3.061 5.313 0.000) 6.132 10.453 ( -1.746 -11.146 -0.000) 11.282 10.795 ( -13.393 9.974 -0.000) 16.699 11.014 ( -6.767 -8.874 -0.000) 11.160 11.108 ( -5.285 1.072 -0.000) 5.393 11.577 ( 14.338 3.181 0.000) 14.687 11.580 ( -4.878 0.961 -0.000) 4.972 11.800 ( -9.629 0.052 -0.000) 9.629 12.003 ( 2.373 7.224 0.000) 7.604 12.145 ( 0.313 1.276 0.000) 1.313 12.174 ( -12.245 -3.832 -0.000) 12.831 12.459 ( -3.401 0.609 -0.000) 3.455 12.562 ( -11.719 3.328 -0.000) 12.182 12.911 ( 0.058 2.749 0.000) 2.750 12.927 ( -2.614 -4.959 -0.000) 5.606 13.212 ( 8.289 5.113 0.000) 9.739 13.219 ( 1.536 -5.900 -0.000) 6.097 13.417 ( 2.785 -4.848 -0.000) 5.591 13.658 ( 4.545 0.204 0.000) 4.549 13.807 ( 4.397 -0.444 0.000) 4.419 14.272 ( -2.009 -4.450 -0.000) 4.882 14.339 ( -5.400 6.493 0.000) 8.445 14.344 ( -0.086 -3.942 -0.000) 3.943 14.437 ( -2.109 9.847 0.000) 10.071 14.552 ( -10.324 -3.220 -0.000) 10.815 14.726 ( 0.473 2.471 0.000) 2.516 14.870 ( -3.815 -1.298 -0.000) 4.030 14.990 ( 1.280 0.742 0.000) 1.479 15.090 ( -0.718 1.665 0.000) 1.814 15.141 ( -4.417 -2.154 -0.000) 4.914 15.191 ( 0.684 0.550 0.000) 0.878 15.428 ( -3.766 -0.196 -0.000) 3.771 15.526 ( -6.907 -9.176 -0.000) 11.485 15.659 ( -0.440 1.847 0.000) 1.898 15.798 ( 1.238 1.050 0.000) 1.624 15.882 ( -8.395 -8.569 -0.000) 11.996 16.204 ( -0.209 1.676 0.000) 1.689 16.426 ( -5.950 0.145 -0.000) 5.952 16.485 ( -3.017 0.692 -0.000) 3.095 16.649 ( -6.436 3.178 -0.000) 7.178 16.818 ( 7.904 1.768 0.000) 8.100 16.836 ( 8.015 2.048 0.000) 8.273 16.860 ( -2.215 -1.807 -0.000) 2.858 17.060 ( 2.643 -5.420 -0.000) 6.031 17.126 ( 6.058 1.743 0.000) 6.303 17.439 ( 0.914 1.818 0.000) 2.034 17.762 ( 18.606 -4.851 0.000) 19.228 17.989 ( 3.041 0.826 0.000) 3.151 18.472 ( 13.628 -8.117 0.000) 15.862 18.799 ( 0.602 1.850 0.000) 1.945 18.938 ( 4.263 20.706 0.000) 21.141 19.458 ( -4.685 12.299 0.000) 13.161 20.317 ( -9.684 -14.746 -0.000) 17.642 ======================= Grid point 67 (52/72) ======================= q-point: (-0.48 0.48 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 2.202 3.229 0.000) 3.909 1.759 ( -0.519 -3.103 -0.000) 3.146 1.779 ( 9.618 -0.725 0.000) 9.645 1.927 ( -0.724 3.840 0.000) 3.908 2.034 ( 2.890 -0.001 0.000) 2.890 2.152 ( -2.864 -12.533 -0.000) 12.856 2.441 ( 5.957 5.134 0.000) 7.864 2.592 ( 5.450 -3.815 0.000) 6.653 2.691 ( 1.004 -5.245 -0.000) 5.340 2.824 ( 0.776 -0.631 -0.000) 1.000 3.024 ( 2.880 4.641 0.000) 5.462 3.082 ( -3.906 3.900 0.000) 5.520 3.409 ( 5.021 1.905 0.000) 5.370 3.571 ( 0.025 -4.043 -0.000) 4.044 4.070 ( -5.064 3.034 -0.000) 5.903 4.558 ( 1.771 13.612 0.000) 13.727 4.973 ( 6.684 2.178 0.000) 7.030 4.977 ( -13.487 0.746 -0.000) 13.507 5.480 ( 1.828 -8.318 -0.000) 8.516 5.750 ( 6.548 -4.662 0.000) 8.038 5.993 ( -6.868 7.791 0.000) 10.386 6.350 ( -1.933 0.127 -0.000) 1.937 6.426 ( -2.403 -1.691 -0.000) 2.939 6.479 ( 0.952 10.109 0.000) 10.154 6.658 ( -2.411 1.426 -0.000) 2.801 6.930 ( 5.121 -4.293 -0.000) 6.683 7.004 ( -3.456 -0.454 -0.000) 3.485 7.195 ( -3.888 -10.811 -0.000) 11.489 7.334 ( 4.944 3.992 0.000) 6.355 7.565 ( 0.919 -6.840 -0.000) 6.902 7.715 ( 2.880 -1.611 0.000) 3.300 7.823 ( 9.094 -6.044 0.000) 10.919 8.031 ( 1.642 -3.003 -0.000) 3.423 8.098 ( -1.416 2.412 0.000) 2.797 8.162 ( 8.246 -6.470 -0.000) 10.481 8.379 ( 0.948 0.730 0.000) 1.197 8.464 ( -2.282 0.052 -0.000) 2.283 8.613 ( -1.878 3.274 0.000) 3.775 8.767 ( -2.965 -0.700 -0.000) 3.047 8.967 ( -5.669 -13.081 -0.000) 14.257 9.180 ( 8.888 7.701 0.000) 11.760 9.427 ( 4.791 -5.758 -0.000) 7.490 9.610 ( 5.967 -0.303 0.000) 5.974 9.754 ( -5.431 -3.582 -0.000) 6.506 9.867 ( 0.698 1.549 0.000) 1.699 10.060 ( -0.438 -7.324 -0.000) 7.337 10.300 ( 4.200 11.117 0.000) 11.884 10.327 ( -6.993 11.452 0.000) 13.419 10.540 ( -2.456 0.865 -0.000) 2.604 10.843 ( -15.322 4.711 -0.000) 16.029 10.934 ( -11.785 -1.264 -0.000) 11.853 11.337 ( -2.623 6.785 0.000) 7.274 11.640 ( -8.992 0.177 -0.000) 8.994 11.787 ( 11.378 1.492 0.000) 11.476 11.819 ( -21.556 -3.686 -0.000) 21.869 12.090 ( 0.973 0.631 0.000) 1.160 12.220 ( -1.289 -6.789 -0.000) 6.910 12.288 ( -0.517 5.919 0.000) 5.942 12.323 ( -2.939 1.667 -0.000) 3.379 12.810 ( -0.870 4.021 0.000) 4.114 13.095 ( 1.811 -5.002 -0.000) 5.319 13.328 ( 5.895 -1.183 0.000) 6.012 13.375 ( 0.989 -5.848 -0.000) 5.931 13.511 ( -0.719 -2.845 -0.000) 2.934 13.742 ( 3.477 -0.658 0.000) 3.539 13.854 ( 2.986 3.753 0.000) 4.796 14.026 ( -11.151 -1.736 -0.000) 11.286 14.156 ( 0.008 7.984 0.000) 7.984 14.417 ( -4.418 -1.568 -0.000) 4.688 14.469 ( -1.116 -4.441 -0.000) 4.579 14.490 ( 3.897 -2.029 0.000) 4.394 14.639 ( -4.605 -1.260 -0.000) 4.775 14.823 ( -4.857 -1.974 -0.000) 5.243 14.904 ( -4.008 4.530 0.000) 6.048 14.981 ( -3.427 1.788 -0.000) 3.865 15.143 ( -3.450 2.042 -0.000) 4.009 15.163 ( -0.458 -0.468 -0.000) 0.655 15.443 ( 3.418 -0.733 0.000) 3.496 15.485 ( -7.773 -4.540 -0.000) 9.001 15.567 ( -7.320 -3.081 -0.000) 7.942 15.821 ( 0.829 0.740 0.000) 1.111 15.934 ( -6.015 -0.889 -0.000) 6.080 16.177 ( 0.742 -4.413 -0.000) 4.475 16.275 ( -1.892 2.773 0.000) 3.357 16.430 ( 2.181 1.782 0.000) 2.816 16.557 ( -1.550 -1.401 -0.000) 2.089 16.716 ( -5.390 4.388 0.000) 6.950 16.897 ( 4.263 10.123 0.000) 10.983 16.938 ( 7.418 1.621 0.000) 7.593 17.177 ( 0.570 -2.189 -0.000) 2.262 17.224 ( 3.278 -1.340 0.000) 3.541 17.428 ( -2.941 -5.112 -0.000) 5.898 17.969 ( 8.840 12.418 0.000) 15.243 18.347 ( 16.148 -5.003 0.000) 16.906 18.497 ( 4.830 20.408 0.000) 20.971 18.654 ( 6.188 13.114 0.000) 14.501 18.967 ( 11.946 -10.447 -0.000) 15.870 19.363 ( -3.315 -9.308 -0.000) 9.880 20.431 ( -12.111 -16.976 -0.000) 20.853 ======================= Grid point 72 (53/72) ======================= q-point: ( 0.37 -0.37 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -3.598 7.826 0.000) 8.613 1.758 ( -5.744 -1.394 -0.000) 5.910 1.806 ( -1.283 3.939 0.000) 4.142 1.964 ( 6.530 -0.778 0.000) 6.576 2.081 ( 2.306 -0.213 0.000) 2.316 2.303 ( -8.442 -9.622 -0.000) 12.801 2.523 ( 9.794 5.633 0.000) 11.299 2.651 ( -7.473 1.327 -0.000) 7.590 2.766 ( -3.253 -3.004 -0.000) 4.428 2.785 ( -3.416 1.207 -0.000) 3.623 2.970 ( 6.398 -0.466 0.000) 6.415 2.988 ( 6.033 3.737 0.000) 7.097 3.421 ( -2.184 1.200 -0.000) 2.492 3.624 ( -2.249 -3.644 -0.000) 4.282 4.027 ( 3.264 -1.429 0.000) 3.563 4.363 ( 2.636 10.051 0.000) 10.390 4.654 ( -10.730 5.824 -0.000) 12.209 5.033 ( 6.465 3.208 0.000) 7.217 5.634 ( -3.718 -6.166 -0.000) 7.201 5.829 ( 0.433 0.632 0.000) 0.766 5.968 ( 3.906 -6.162 -0.000) 7.295 6.248 ( -2.122 4.815 0.000) 5.262 6.318 ( -6.996 2.159 -0.000) 7.322 6.346 ( 6.666 8.837 0.000) 11.069 6.743 ( 0.326 -8.272 -0.000) 8.278 6.987 ( 2.370 -0.396 0.000) 2.403 7.101 ( 3.475 -0.586 0.000) 3.524 7.249 ( -4.244 1.745 -0.000) 4.589 7.436 ( 5.392 -4.407 -0.000) 6.964 7.573 ( -2.849 -1.294 -0.000) 3.129 7.781 ( -7.194 -6.715 -0.000) 9.841 7.936 ( -8.415 -3.046 -0.000) 8.950 8.010 ( -4.092 -0.106 -0.000) 4.093 8.120 ( -9.196 4.726 -0.000) 10.339 8.270 ( 19.104 1.301 0.000) 19.148 8.364 ( -1.203 -1.198 -0.000) 1.698 8.527 ( 4.277 -5.783 -0.000) 7.193 8.821 ( 3.665 0.343 0.000) 3.681 8.920 ( 14.796 -16.304 -0.000) 22.017 9.088 ( -9.337 -12.095 -0.000) 15.280 9.241 ( 8.723 4.957 0.000) 10.033 9.428 ( -9.946 -1.811 -0.000) 10.110 9.563 ( -9.466 -0.815 -0.000) 9.501 9.713 ( -13.166 4.790 -0.000) 14.010 9.814 ( 7.858 8.860 0.000) 11.843 10.092 ( 2.530 3.375 0.000) 4.219 10.107 ( -8.461 4.654 -0.000) 9.656 10.235 ( 3.763 3.284 0.000) 4.995 10.494 ( 20.485 5.702 0.000) 21.264 10.510 ( 4.143 7.157 0.000) 8.269 10.642 ( -17.743 0.675 -0.000) 17.756 11.251 ( 1.632 2.928 0.000) 3.352 11.402 ( -8.450 3.178 -0.000) 9.028 11.562 ( -13.251 -7.213 -0.000) 15.087 11.890 ( -12.486 7.504 -0.000) 14.567 12.001 ( 5.939 -4.560 -0.000) 7.487 12.154 ( 3.012 0.190 0.000) 3.018 12.277 ( 0.412 1.067 0.000) 1.143 12.561 ( 9.906 -4.927 0.000) 11.064 12.759 ( 2.384 2.030 0.000) 3.132 13.095 ( -6.674 0.354 -0.000) 6.684 13.404 ( -6.976 -2.654 -0.000) 7.463 13.503 ( 3.871 -6.996 -0.000) 7.995 13.555 ( -1.367 -1.931 -0.000) 2.366 13.798 ( 1.476 2.044 0.000) 2.521 13.819 ( 5.652 4.426 0.000) 7.179 13.997 ( -0.413 -3.548 -0.000) 3.572 14.139 ( 9.748 2.869 0.000) 10.161 14.346 ( -5.239 -1.837 -0.000) 5.552 14.421 ( -10.133 -2.816 -0.000) 10.517 14.577 ( -1.840 -1.361 -0.000) 2.288 14.682 ( -4.273 2.722 -0.000) 5.067 14.689 ( 3.343 -0.663 0.000) 3.408 14.793 ( -0.602 1.430 0.000) 1.551 14.873 ( -2.284 2.738 0.000) 3.565 15.052 ( -4.298 -3.256 -0.000) 5.392 15.147 ( -0.614 -0.279 -0.000) 0.674 15.450 ( -6.862 -0.772 -0.000) 6.906 15.470 ( -3.919 -3.478 -0.000) 5.240 15.531 ( 3.474 0.173 0.000) 3.478 15.788 ( 0.722 2.751 0.000) 2.844 15.839 ( 1.264 1.577 0.000) 2.021 16.273 ( 3.200 -0.466 0.000) 3.233 16.276 ( -1.146 -1.367 -0.000) 1.784 16.445 ( -1.943 7.139 0.000) 7.399 16.565 ( -1.430 -0.327 -0.000) 1.467 16.584 ( 4.476 -6.743 -0.000) 8.093 16.806 ( -0.034 1.897 0.000) 1.897 17.058 ( 5.028 -1.913 0.000) 5.379 17.162 ( 1.623 7.029 0.000) 7.214 17.315 ( -0.614 -4.944 -0.000) 4.982 17.386 ( -3.964 1.712 -0.000) 4.318 17.882 ( 5.960 9.144 0.000) 10.915 17.903 ( -4.307 20.086 0.000) 20.542 18.530 ( 0.330 5.737 0.000) 5.746 18.836 ( 8.406 -2.814 0.000) 8.864 19.366 ( 8.377 -7.202 -0.000) 11.047 19.616 ( 6.766 -9.780 -0.000) 11.892 20.541 ( -9.615 -13.022 -0.000) 16.187 ======================= Grid point 74 (54/72) ======================= q-point: ( 0.54 0.21 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -0.000 -2.242 -1.484) 2.689 1.555 ( 0.000 1.546 4.520) 4.777 1.706 ( 0.000 2.228 21.802) 21.916 1.802 ( 0.000 2.630 4.318) 5.056 1.898 ( -0.000 -8.964 -2.797) 9.390 2.138 ( 0.000 3.965 -1.605) 4.278 2.317 ( 0.000 -2.405 6.902) 7.309 2.535 ( -0.000 3.241 -10.915) 11.387 2.680 ( 0.000 4.166 9.761) 10.613 2.709 ( -0.000 -4.961 -7.637) 9.107 3.007 ( -0.000 -5.014 -5.175) 7.206 3.283 ( -0.000 -3.434 -3.069) 4.605 3.309 ( -0.000 -1.084 -0.865) 1.387 3.473 ( 0.000 0.174 8.430) 8.432 4.232 ( 0.000 0.946 0.782) 1.228 4.435 ( 0.000 22.639 0.964) 22.659 4.851 ( 0.000 2.290 -0.094) 2.292 5.364 ( 0.000 10.331 -8.886) 13.627 5.482 ( -0.000 -3.158 -4.363) 5.386 5.685 ( -0.000 -29.538 0.199) 29.538 6.151 ( 0.000 7.649 -1.898) 7.881 6.387 ( -0.000 -6.354 8.450) 10.573 6.559 ( -0.000 -0.242 -3.470) 3.479 6.597 ( 0.000 11.412 -2.283) 11.638 6.687 ( 0.000 7.525 -3.792) 8.426 6.898 ( -0.000 -9.069 -8.935) 12.731 7.029 ( -0.000 -3.387 -1.156) 3.579 7.091 ( 0.000 4.755 7.391) 8.789 7.206 ( 0.000 0.549 0.061) 0.552 7.313 ( 0.000 2.925 2.436) 3.806 7.400 ( 0.000 2.894 -1.690) 3.351 7.815 ( -0.000 -7.650 -3.128) 8.265 7.945 ( -0.000 -11.120 13.302) 17.338 7.984 ( -0.000 -13.913 7.146) 15.641 8.261 ( -0.000 -3.376 -3.563) 4.908 8.442 ( 0.000 0.511 1.035) 1.155 8.503 ( 0.000 1.910 -3.441) 3.935 8.627 ( 0.000 13.039 1.841) 13.169 8.684 ( 0.000 0.596 0.627) 0.865 8.940 ( -0.000 0.390 -0.973) 1.048 9.151 ( -0.000 -1.101 -6.166) 6.264 9.260 ( -0.000 -11.463 -5.774) 12.835 9.465 ( 0.000 3.767 5.112) 6.350 9.855 ( 0.000 -2.668 6.496) 7.022 9.977 ( -0.000 -4.540 1.904) 4.923 10.021 ( -0.000 -10.929 -0.698) 10.951 10.313 ( 0.000 8.997 -4.374) 10.004 10.638 ( 0.000 1.711 6.739) 6.953 10.871 ( -0.000 1.720 -5.986) 6.228 11.077 ( 0.000 2.240 -0.835) 2.391 11.214 ( -0.000 -3.448 1.206) 3.653 11.275 ( 0.000 2.884 -0.473) 2.922 11.630 ( 0.000 16.097 -4.555) 16.729 11.688 ( 0.000 0.798 5.766) 5.821 11.822 ( -0.000 0.363 -1.142) 1.199 12.183 ( -0.000 -2.912 0.564) 2.966 12.385 ( -0.000 -3.106 0.295) 3.120 12.508 ( 0.000 -0.522 2.117) 2.181 12.796 ( 0.000 1.511 -1.802) 2.352 12.881 ( -0.000 -1.364 -3.248) 3.523 12.941 ( 0.000 4.076 -2.140) 4.604 12.941 ( 0.000 2.015 2.179) 2.968 13.258 ( -0.000 -2.377 -1.038) 2.594 13.586 ( -0.000 -8.677 2.803) 9.118 13.699 ( -0.000 -2.173 -5.491) 5.906 13.782 ( 0.000 0.163 0.470) 0.497 14.157 ( 0.000 3.547 5.027) 6.153 14.254 ( 0.000 4.579 0.023) 4.579 14.366 ( 0.000 0.270 1.203) 1.233 14.562 ( -0.000 -3.287 -5.413) 6.333 14.607 ( 0.000 0.637 -0.505) 0.813 14.773 ( -0.000 -5.451 3.601) 6.533 14.980 ( -0.000 -2.321 -1.897) 2.997 14.981 ( -0.000 -1.028 0.609) 1.195 15.051 ( 0.000 2.112 0.310) 2.135 15.152 ( 0.000 0.984 -0.593) 1.149 15.213 ( -0.000 -0.628 -0.237) 0.671 15.419 ( 0.000 0.968 4.946) 5.040 15.570 ( 0.000 0.790 0.684) 1.045 15.753 ( 0.000 0.888 -1.414) 1.670 15.916 ( -0.000 -9.547 -2.894) 9.976 16.077 ( 0.000 -0.043 4.797) 4.797 16.112 ( -0.000 -1.477 1.405) 2.039 16.505 ( 0.000 -0.691 1.730) 1.863 16.521 ( 0.000 6.854 1.038) 6.932 16.601 ( -0.000 -0.397 -0.371) 0.543 16.738 ( -0.000 0.256 -1.844) 1.862 16.793 ( 0.000 4.481 -0.934) 4.577 16.804 ( 0.000 0.969 -1.445) 1.740 17.009 ( -0.000 1.420 -5.232) 5.421 17.121 ( -0.000 -4.861 2.251) 5.357 17.395 ( 0.000 -0.084 3.544) 3.545 17.664 ( -0.000 -2.850 -1.508) 3.224 18.104 ( -0.000 -4.473 2.824) 5.289 18.184 ( 0.000 17.062 -3.843) 17.489 18.551 ( 0.000 21.785 -3.955) 22.141 18.711 ( -0.000 -0.817 -4.260) 4.337 19.492 ( -0.000 -5.229 -2.610) 5.845 20.611 ( -0.000 -15.141 9.851) 18.063 ======================= Grid point 75 (55/72) ======================= q-point: ( 0.21 -0.21 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -11.114 0.000 -0.000) 11.114 1.568 ( -14.659 0.000 -0.000) 14.659 1.715 ( -4.952 0.000 -0.000) 4.952 2.025 ( -2.283 0.000 -0.000) 2.283 2.097 ( -1.344 0.000 -0.000) 1.344 2.159 ( -13.128 0.000 -0.000) 13.128 2.576 ( -9.840 0.000 -0.000) 9.840 2.589 ( 2.255 -0.000 0.000) 2.255 2.624 ( 7.903 -0.000 0.000) 7.903 2.672 ( -6.930 0.000 -0.000) 6.930 3.023 ( -9.077 0.000 -0.000) 9.077 3.261 ( -0.762 0.000 -0.000) 0.762 3.263 ( 10.906 -0.000 0.000) 10.906 3.635 ( -2.221 0.000 -0.000) 2.221 4.217 ( 8.674 -0.000 0.000) 8.674 4.229 ( -0.551 0.000 -0.000) 0.551 4.373 ( -11.037 0.000 -0.000) 11.037 5.148 ( 9.276 -0.000 0.000) 9.276 5.590 ( -6.450 0.000 -0.000) 6.450 5.924 ( 7.756 -0.000 0.000) 7.756 6.053 ( -9.549 0.000 -0.000) 9.549 6.180 ( 8.798 -0.000 0.000) 8.798 6.250 ( 5.200 -0.000 0.000) 5.200 6.394 ( 8.248 -0.000 0.000) 8.248 6.841 ( -1.261 0.000 -0.000) 1.261 7.069 ( 5.257 -0.000 0.000) 5.257 7.122 ( -3.797 0.000 -0.000) 3.797 7.166 ( 2.737 -0.000 0.000) 2.737 7.431 ( -10.655 0.000 -0.000) 10.655 7.601 ( -15.235 0.000 -0.000) 15.235 7.609 ( 2.412 -0.000 0.000) 2.412 7.794 ( -5.161 0.000 -0.000) 5.161 7.936 ( -1.504 0.000 -0.000) 1.504 7.979 ( -0.695 0.000 -0.000) 0.695 8.552 ( 13.834 -0.000 0.000) 13.834 8.566 ( 6.851 -0.000 0.000) 6.851 8.792 ( -4.156 0.000 -0.000) 4.156 8.794 ( 11.217 -0.000 0.000) 11.217 8.943 ( -18.157 0.000 -0.000) 18.157 9.071 ( -12.751 0.000 -0.000) 12.751 9.235 ( -8.911 0.000 -0.000) 8.911 9.315 ( -6.427 0.000 -0.000) 6.427 9.391 ( -6.954 0.000 -0.000) 6.954 9.756 ( 12.563 -0.000 0.000) 12.563 9.762 ( 22.186 -0.000 0.000) 22.186 9.779 ( -16.196 0.000 -0.000) 16.196 10.076 ( -0.876 0.000 -0.000) 0.876 10.177 ( -18.701 0.000 -0.000) 18.701 10.291 ( 8.881 -0.000 0.000) 8.881 10.834 ( 23.748 -0.000 0.000) 23.748 10.864 ( 0.557 -0.000 0.000) 0.557 11.262 ( -1.219 0.000 -0.000) 1.219 11.296 ( 15.271 -0.000 0.000) 15.271 11.567 ( -3.738 0.000 -0.000) 3.738 11.614 ( 4.121 -0.000 0.000) 4.121 12.120 ( -3.469 0.000 -0.000) 3.469 12.150 ( 0.361 -0.000 0.000) 0.361 12.306 ( 4.490 -0.000 0.000) 4.490 12.784 ( 2.862 -0.000 0.000) 2.862 12.804 ( 7.341 -0.000 0.000) 7.341 12.898 ( -10.730 0.000 -0.000) 10.730 13.271 ( -8.857 0.000 -0.000) 8.857 13.512 ( -4.339 0.000 -0.000) 4.339 13.713 ( -0.659 0.000 -0.000) 0.659 13.722 ( 2.801 -0.000 0.000) 2.801 13.858 ( 3.080 -0.000 0.000) 3.080 14.058 ( 1.855 -0.000 0.000) 1.855 14.201 ( -12.153 0.000 -0.000) 12.153 14.359 ( 13.914 -0.000 0.000) 13.914 14.361 ( 4.366 -0.000 0.000) 4.366 14.377 ( -11.600 0.000 -0.000) 11.600 14.744 ( 5.496 -0.000 0.000) 5.496 14.777 ( 4.387 -0.000 0.000) 4.387 14.783 ( 2.501 -0.000 0.000) 2.501 14.813 ( -0.853 0.000 -0.000) 0.853 15.098 ( 3.970 -0.000 0.000) 3.970 15.127 ( -2.540 0.000 -0.000) 2.540 15.406 ( -0.766 0.000 -0.000) 0.766 15.439 ( -2.836 0.000 -0.000) 2.836 15.586 ( 2.257 -0.000 0.000) 2.257 15.779 ( 1.612 -0.000 0.000) 1.612 15.872 ( 1.054 -0.000 0.000) 1.054 16.231 ( 3.351 -0.000 0.000) 3.351 16.378 ( 4.729 -0.000 0.000) 4.729 16.403 ( 0.514 -0.000 0.000) 0.514 16.500 ( -3.107 0.000 -0.000) 3.107 16.753 ( -0.378 0.000 -0.000) 0.378 16.797 ( -6.353 0.000 -0.000) 6.353 16.998 ( 4.202 -0.000 0.000) 4.202 17.167 ( 2.245 -0.000 0.000) 2.245 17.323 ( -1.754 0.000 -0.000) 1.754 17.373 ( -4.483 0.000 -0.000) 4.483 17.559 ( -3.295 0.000 -0.000) 3.295 17.835 ( 1.321 -0.000 0.000) 1.321 18.421 ( -4.783 0.000 -0.000) 4.783 18.899 ( -2.515 0.000 -0.000) 2.515 19.575 ( 5.260 -0.000 0.000) 5.260 19.903 ( 9.604 -0.000 0.000) 9.604 20.542 ( -6.312 0.000 -0.000) 6.312 ======================= Grid point 76 (56/72) ======================= q-point: (-0.29 -0.21 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -1.948 0.000 0.000) 1.948 1.823 ( 0.309 -0.000 -0.000) 0.309 1.851 ( -6.656 0.000 0.000) 6.656 1.981 ( 1.990 0.000 0.000) 1.990 1.985 ( -1.444 -0.000 0.000) 1.444 2.087 ( -2.027 0.000 0.000) 2.027 2.420 ( -2.000 0.000 -0.000) 2.000 2.536 ( -5.481 0.000 0.000) 5.481 2.579 ( 3.199 0.000 0.000) 3.199 2.945 ( -0.546 0.000 0.000) 0.546 3.217 ( -3.208 0.000 -0.000) 3.208 3.252 ( 2.291 -0.000 0.000) 2.291 3.278 ( 1.194 0.000 -0.000) 1.194 3.655 ( -4.844 0.000 -0.000) 4.844 3.956 ( 2.998 0.000 0.000) 2.998 4.691 ( 1.814 0.000 0.000) 1.814 4.789 ( 2.513 0.000 0.000) 2.513 5.277 ( -3.297 0.000 0.000) 3.297 5.505 ( -1.482 0.000 -0.000) 1.482 5.955 ( 4.609 0.000 0.000) 4.609 5.968 ( -3.477 0.000 0.000) 3.477 6.162 ( 0.785 0.000 -0.000) 0.785 6.199 ( 2.650 -0.000 0.000) 2.650 6.657 ( 4.806 0.000 0.000) 4.806 6.659 ( 3.259 -0.000 -0.000) 3.259 6.676 ( -1.412 0.000 0.000) 1.412 7.024 ( -0.506 0.000 0.000) 0.506 7.181 ( -2.635 0.000 -0.000) 2.635 7.456 ( 0.940 0.000 0.000) 0.940 7.557 ( -1.683 0.000 -0.000) 1.683 7.657 ( -11.944 0.000 0.000) 11.944 7.952 ( -9.111 0.000 -0.000) 9.111 8.015 ( 1.684 0.000 0.000) 1.684 8.043 ( 2.588 0.000 0.000) 2.588 8.132 ( 1.273 0.000 0.000) 1.273 8.224 ( 10.537 0.000 0.000) 10.537 8.538 ( 0.633 0.000 0.000) 0.633 8.649 ( -2.950 0.000 0.000) 2.950 8.778 ( 5.747 0.000 0.000) 5.747 9.187 ( -6.930 0.000 -0.000) 6.930 9.206 ( -1.414 0.000 -0.000) 1.414 9.296 ( -14.880 0.000 0.000) 14.880 9.558 ( 5.297 0.000 0.000) 5.297 9.724 ( -2.870 0.000 0.000) 2.870 9.733 ( 13.773 0.000 0.000) 13.773 10.115 ( -5.107 0.000 0.000) 5.107 10.308 ( 8.506 0.000 -0.000) 8.506 10.339 ( 1.248 0.000 0.000) 1.248 10.655 ( 1.518 0.000 -0.000) 1.518 10.714 ( -9.006 0.000 0.000) 9.006 11.011 ( -6.969 0.000 0.000) 6.969 11.221 ( 5.130 0.000 0.000) 5.130 11.357 ( 21.658 0.000 0.000) 21.658 11.519 ( 3.130 0.000 -0.000) 3.130 12.032 ( -2.590 0.000 0.000) 2.590 12.064 ( 3.196 -0.000 0.000) 3.196 12.092 ( -1.353 0.000 0.000) 1.353 12.244 ( 0.806 0.000 0.000) 0.806 12.477 ( -0.074 0.000 0.000) 0.074 12.799 ( 1.787 0.000 0.000) 1.787 13.005 ( -2.080 0.000 -0.000) 2.080 13.239 ( -0.003 0.000 0.000) 0.003 13.497 ( -3.406 -0.000 0.000) 3.406 13.616 ( -7.283 0.000 0.000) 7.283 13.714 ( 1.798 0.000 0.000) 1.798 13.948 ( -2.851 0.000 -0.000) 2.851 13.962 ( 8.384 -0.000 0.000) 8.384 14.128 ( 6.098 0.000 -0.000) 6.098 14.148 ( 5.246 -0.000 0.000) 5.246 14.344 ( 2.012 0.000 0.000) 2.012 14.470 ( -8.089 0.000 0.000) 8.089 14.717 ( -4.109 0.000 0.000) 4.109 14.832 ( 2.450 0.000 0.000) 2.450 14.907 ( 6.350 0.000 0.000) 6.350 14.965 ( 1.421 0.000 0.000) 1.421 15.061 ( 1.290 0.000 -0.000) 1.290 15.089 ( 2.703 0.000 0.000) 2.703 15.333 ( 0.174 0.000 0.000) 0.174 15.490 ( 4.846 0.000 -0.000) 4.846 15.501 ( -5.571 0.000 0.000) 5.571 15.828 ( -0.185 0.000 0.000) 0.185 15.881 ( 4.801 0.000 0.000) 4.801 16.038 ( -6.189 0.000 0.000) 6.189 16.300 ( 4.194 0.000 0.000) 4.194 16.504 ( -2.341 0.000 0.000) 2.341 16.589 ( 0.971 0.000 -0.000) 0.971 16.641 ( 4.002 0.000 0.000) 4.002 16.900 ( -1.936 0.000 0.000) 1.936 17.059 ( -1.797 0.000 0.000) 1.797 17.203 ( -1.853 0.000 0.000) 1.853 17.320 ( -2.640 0.000 -0.000) 2.640 17.414 ( 2.250 0.000 0.000) 2.250 18.222 ( -5.302 0.000 0.000) 5.302 18.575 ( -5.238 0.000 -0.000) 5.238 18.925 ( -7.872 0.000 -0.000) 7.872 18.933 ( -6.072 -0.000 0.000) 6.072 19.051 ( -0.229 0.000 0.000) 0.229 19.283 ( 7.871 0.000 0.000) 7.871 19.700 ( 6.198 0.000 -0.000) 6.198 ======================= Grid point 78 (57/72) ======================= q-point: ( 0.39 0.36 -0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 0.132 2.009 7.591) 7.853 1.580 ( 4.902 1.385 4.167) 6.581 1.675 ( 6.028 3.708 11.692) 13.667 1.801 ( 5.607 0.869 2.948) 6.394 2.034 ( -2.368 1.158 -2.459) 3.605 2.066 ( 2.651 1.216 2.562) 3.882 2.322 ( 1.370 -2.416 8.686) 9.119 2.516 ( 1.629 1.540 -4.712) 5.218 2.700 ( 4.954 0.857 12.713) 13.671 2.914 ( 3.463 -8.565 -9.122) 12.983 3.098 ( -0.898 -3.050 -1.554) 3.539 3.196 ( -6.120 2.371 -1.431) 6.717 3.326 ( -1.157 -0.332 -2.351) 2.641 3.514 ( 2.965 -0.657 6.614) 7.278 4.013 ( -0.135 11.837 -1.333) 11.913 4.248 ( 1.990 2.872 -0.745) 3.573 4.747 ( -1.427 5.406 6.230) 8.371 5.174 ( 0.050 6.553 -15.087) 16.449 5.610 ( 2.332 -5.287 -6.920) 9.015 5.997 ( -2.059 2.066 -1.165) 3.141 6.120 ( -8.366 -13.653 -2.506) 16.207 6.269 ( -4.590 9.470 -3.320) 11.035 6.421 ( -7.706 -3.202 3.136) 8.915 6.537 ( -3.860 -0.531 -0.152) 3.899 6.688 ( 1.537 -6.908 1.894) 7.326 6.935 ( -3.369 1.892 4.219) 5.721 7.062 ( -0.255 -3.689 -4.080) 5.506 7.236 ( 6.707 -0.960 -0.187) 6.778 7.272 ( 6.372 -0.216 -3.019) 7.055 7.419 ( 15.059 1.078 2.458) 15.297 7.475 ( 13.026 1.749 -0.723) 13.163 7.883 ( -5.610 0.105 -4.899) 7.449 8.055 ( -0.848 4.038 4.745) 6.287 8.153 ( -2.221 -5.458 5.419) 8.005 8.221 ( -3.636 -4.989 1.715) 6.408 8.418 ( 1.333 -8.317 2.936) 8.920 8.454 ( 2.389 1.246 0.943) 2.855 8.703 ( 7.773 -5.105 -0.895) 9.342 8.812 ( -6.030 -2.158 -2.774) 6.979 8.941 ( 5.530 -1.476 0.662) 5.762 9.299 ( 11.203 -2.726 -1.157) 11.587 9.344 ( 0.827 -2.083 4.104) 4.676 9.524 ( 3.612 -4.274 -4.954) 7.473 9.792 ( -10.728 10.453 4.470) 15.631 9.899 ( -8.398 2.008 -0.540) 8.651 10.053 ( -6.502 3.714 2.448) 7.878 10.214 ( -0.684 -6.610 2.568) 7.124 10.427 ( -6.272 2.982 -3.828) 7.930 10.704 ( -16.227 2.812 1.436) 16.532 10.976 ( -9.603 3.520 2.851) 10.618 11.175 ( -6.014 0.940 -0.327) 6.096 11.243 ( -2.035 4.855 -0.841) 5.331 11.459 ( 11.750 2.266 -6.084) 13.424 11.656 ( 3.864 1.702 5.624) 7.032 11.992 ( 9.413 -1.587 -1.418) 9.651 12.188 ( -5.032 -2.071 -0.257) 5.447 12.312 ( -8.655 3.741 1.269) 9.514 12.371 ( -7.507 -3.273 0.159) 8.191 12.523 ( -18.361 1.868 -4.475) 18.991 12.765 ( -0.663 3.066 -3.260) 4.524 13.077 ( 10.239 -1.857 3.202) 10.887 13.199 ( 12.694 -2.564 -2.029) 13.109 13.364 ( 1.281 -4.187 2.787) 5.190 13.630 ( -1.732 -1.004 1.687) 2.618 13.760 ( -0.045 -0.058 -0.885) 0.888 13.772 ( -0.142 -0.582 -1.061) 1.218 13.958 ( 0.773 9.017 -1.629) 9.196 14.195 ( -4.739 3.737 0.458) 6.052 14.390 ( -4.988 -3.563 2.042) 6.461 14.542 ( -2.490 -3.036 -3.669) 5.374 14.703 ( 1.238 -2.985 -0.770) 3.322 14.789 ( -7.580 -6.995 3.583) 10.919 14.935 ( -4.378 0.362 -1.163) 4.544 14.960 ( -3.460 2.010 -0.655) 4.055 15.023 ( 0.076 0.467 1.726) 1.790 15.131 ( -2.925 1.389 1.476) 3.558 15.208 ( -0.259 -2.067 -1.533) 2.587 15.436 ( -2.445 -6.131 2.695) 7.129 15.584 ( 2.631 1.724 -0.691) 3.220 15.734 ( -2.123 -1.887 -2.620) 3.864 15.858 ( -12.605 2.408 4.290) 13.531 16.040 ( -10.999 0.731 1.942) 11.193 16.173 ( 2.176 -1.532 0.707) 2.754 16.385 ( 2.030 2.792 -3.763) 5.106 16.421 ( -3.102 -4.303 -1.675) 5.563 16.592 ( -1.104 0.088 1.516) 1.877 16.690 ( 1.707 -0.697 0.669) 1.961 16.811 ( 0.959 1.555 -1.071) 2.118 16.834 ( -6.895 0.182 -2.812) 7.449 16.989 ( 7.816 0.439 5.611) 9.631 17.247 ( 4.161 9.348 1.674) 10.368 17.427 ( 6.059 -0.413 -5.295) 8.057 17.655 ( 3.151 7.460 4.491) 9.260 17.974 ( 4.453 15.399 -6.606) 17.337 18.085 ( 8.094 2.545 1.769) 8.667 18.393 ( 15.479 1.483 -4.723) 16.252 18.911 ( 11.858 -5.271 -1.154) 13.028 19.617 ( -2.253 -6.802 -1.354) 7.292 20.824 ( -6.028 -10.526 7.178) 14.095 ======================= Grid point 83 (58/72) ======================= q-point: ( 0.23 0.52 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -2.298 -0.000 6.083) 6.502 1.725 ( 10.294 -0.000 7.836) 12.937 1.732 ( 2.646 -0.000 3.390) 4.300 1.916 ( -0.945 0.000 -3.094) 3.236 2.005 ( 4.440 -0.000 2.004) 4.871 2.138 ( 10.678 -0.000 4.151) 11.457 2.460 ( 7.495 -0.000 10.918) 13.243 2.494 ( -0.760 0.000 -2.697) 2.802 2.766 ( 1.210 -0.000 6.338) 6.453 2.899 ( -13.543 0.000 0.880) 13.572 3.057 ( -2.797 0.000 -6.478) 7.056 3.166 ( 0.420 0.000 -12.630) 12.637 3.359 ( 4.884 -0.000 2.594) 5.530 3.586 ( 2.713 -0.000 6.228) 6.794 3.954 ( 5.986 0.000 -3.299) 6.835 4.233 ( 0.136 0.000 -0.778) 0.790 4.612 ( -5.109 -0.000 7.936) 9.439 5.118 ( 1.966 0.000 -16.696) 16.811 5.733 ( 2.401 0.000 -4.804) 5.370 5.996 ( -8.107 0.000 -5.775) 9.953 6.011 ( 0.345 -0.000 7.860) 7.868 6.144 ( 0.124 0.000 -1.733) 1.737 6.224 ( -10.615 0.000 -0.940) 10.657 6.446 ( -6.594 -0.000 1.465) 6.755 6.777 ( -3.528 -0.000 8.390) 9.102 6.915 ( 1.880 -0.000 2.582) 3.194 7.154 ( 3.761 0.000 -8.172) 8.996 7.268 ( 2.642 0.000 -1.683) 3.133 7.412 ( 6.206 0.000 -3.499) 7.124 7.585 ( 1.206 -0.000 2.088) 2.412 7.847 ( 12.679 -0.000 8.437) 15.230 7.860 ( 6.866 0.000 -1.715) 7.077 7.982 ( 7.362 0.000 -2.901) 7.912 8.127 ( -3.602 -0.000 0.705) 3.670 8.199 ( -7.933 -0.000 4.191) 8.972 8.457 ( 5.863 0.000 -0.828) 5.921 8.539 ( -14.434 0.000 -5.417) 15.417 8.814 ( 17.032 -0.000 2.289) 17.186 8.917 ( -12.208 -0.000 1.653) 12.319 9.153 ( 2.275 -0.000 0.220) 2.286 9.263 ( 11.557 -0.000 2.125) 11.751 9.553 ( 5.616 -0.000 2.355) 6.090 9.558 ( 1.390 -0.000 5.637) 5.806 9.668 ( -15.634 0.000 1.452) 15.701 9.735 ( 13.906 -0.000 -1.115) 13.950 9.890 ( -0.019 0.000 -0.302) 0.302 10.142 ( -19.281 -0.000 2.616) 19.458 10.272 ( -7.246 0.000 -1.516) 7.403 10.291 ( -2.051 0.000 -6.034) 6.373 10.645 ( -17.667 -0.000 3.492) 18.009 11.037 ( -13.453 0.000 -2.398) 13.665 11.165 ( 2.111 -0.000 0.696) 2.223 11.532 ( -3.896 0.000 -2.762) 4.776 11.760 ( 2.841 -0.000 7.494) 8.014 12.036 ( -10.716 -0.000 1.284) 10.793 12.073 ( -1.570 0.000 -0.390) 1.618 12.124 ( -11.772 0.000 -9.001) 14.819 12.231 ( 0.352 -0.000 2.467) 2.492 12.430 ( 9.569 0.000 -1.987) 9.774 12.728 ( 0.215 0.000 -2.516) 2.526 13.211 ( -3.640 -0.000 3.564) 5.094 13.461 ( 7.577 -0.000 5.685) 9.473 13.487 ( 10.450 0.000 -1.947) 10.630 13.582 ( -4.468 -0.000 0.539) 4.501 13.698 ( -2.333 0.000 -1.385) 2.713 13.804 ( -0.094 0.000 -5.770) 5.770 13.906 ( 5.447 -0.000 2.038) 5.816 14.067 ( -3.527 -0.000 0.683) 3.593 14.334 ( -0.397 -0.000 1.708) 1.753 14.550 ( 0.018 0.000 -2.792) 2.792 14.672 ( -7.741 -0.000 6.390) 10.037 14.722 ( -11.651 -0.000 1.376) 11.732 14.815 ( -2.738 0.000 0.227) 2.747 14.906 ( -8.992 0.000 -0.052) 8.992 14.907 ( -0.636 0.000 -3.137) 3.201 15.071 ( 2.257 -0.000 4.597) 5.122 15.350 ( -0.245 0.000 -4.448) 4.455 15.476 ( -7.748 -0.000 2.709) 8.208 15.497 ( -2.798 0.000 -2.010) 3.445 15.670 ( 4.028 -0.000 2.777) 4.893 15.671 ( -11.967 0.000 -2.858) 12.303 15.794 ( 1.492 0.000 -2.538) 2.944 16.226 ( 3.174 0.000 -2.780) 4.220 16.392 ( 2.101 0.000 -5.003) 5.426 16.430 ( -12.041 -0.000 2.182) 12.237 16.634 ( -0.910 0.000 -1.114) 1.438 16.684 ( 1.762 -0.000 2.583) 3.127 16.732 ( 3.924 -0.000 0.434) 3.948 16.942 ( -1.404 -0.000 3.396) 3.675 16.972 ( 5.663 -0.000 -0.309) 5.672 17.194 ( 4.801 -0.000 5.841) 7.561 17.580 ( 1.407 -0.000 1.643) 2.163 17.644 ( -3.152 0.000 -2.534) 4.044 17.732 ( 7.506 0.000 -4.771) 8.894 18.273 ( 5.064 -0.000 9.222) 10.521 18.772 ( 18.402 0.000 -12.668) 22.341 19.259 ( 14.520 0.000 -2.912) 14.809 19.660 ( -0.598 0.000 -0.870) 1.055 20.798 ( -8.169 -0.000 5.323) 9.750 ======================= Grid point 88 (59/72) ======================= q-point: ( 0.25 0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -0.000 -0.000 25.108) 25.108 1.179 ( -0.000 -0.000 24.879) 24.879 1.478 ( -0.000 -0.000 3.434) 3.434 1.671 ( 0.000 0.000 -1.125) 1.125 1.859 ( -0.000 -0.000 38.225) 38.225 1.990 ( -0.000 -0.000 0.056) 0.056 2.142 ( -0.000 -0.000 8.381) 8.381 2.364 ( 0.000 0.000 -8.016) 8.016 2.621 ( 0.000 0.000 -5.461) 5.461 3.101 ( -0.000 -0.000 5.900) 5.900 3.125 ( -0.000 -0.000 5.744) 5.744 3.142 ( 0.000 0.000 -6.837) 6.837 3.457 ( 0.000 0.000 -4.562) 4.562 3.492 ( 0.000 0.000 -2.346) 2.346 3.821 ( -0.000 -0.000 0.252) 0.252 4.284 ( 0.000 0.000 -1.585) 1.585 4.623 ( -0.000 -0.000 3.193) 3.193 5.380 ( 0.000 0.000 -14.660) 14.660 5.931 ( 0.000 0.000 -16.071) 16.071 5.946 ( -0.000 -0.000 4.323) 4.323 6.312 ( 0.000 0.000 -5.363) 5.363 6.461 ( 0.000 0.000 -5.343) 5.343 6.502 ( 0.000 0.000 -2.696) 2.696 6.732 ( -0.000 -0.000 1.338) 1.338 6.762 ( -0.000 -0.000 8.058) 8.058 6.885 ( -0.000 -0.000 1.445) 1.445 6.957 ( -0.000 -0.000 0.294) 0.294 7.186 ( 0.000 0.000 -2.998) 2.998 7.280 ( 0.000 0.000 -1.619) 1.619 7.329 ( 0.000 0.000 -10.212) 10.212 7.367 ( 0.000 0.000 -3.813) 3.813 7.932 ( -0.000 -0.000 3.071) 3.071 7.962 ( -0.000 -0.000 12.678) 12.678 8.157 ( -0.000 -0.000 4.689) 4.689 8.242 ( -0.000 -0.000 2.390) 2.390 8.351 ( 0.000 0.000 -6.363) 6.363 8.355 ( -0.000 -0.000 3.283) 3.283 8.714 ( -0.000 -0.000 2.399) 2.399 8.719 ( -0.000 -0.000 4.900) 4.900 9.135 ( 0.000 0.000 -5.603) 5.603 9.222 ( -0.000 -0.000 3.278) 3.278 9.278 ( 0.000 0.000 -4.791) 4.791 9.730 ( -0.000 -0.000 6.138) 6.138 9.764 ( 0.000 0.000 -12.633) 12.633 9.932 ( -0.000 -0.000 7.755) 7.755 10.028 ( -0.000 -0.000 5.139) 5.139 10.222 ( 0.000 0.000 -0.518) 0.518 10.471 ( 0.000 0.000 -3.442) 3.442 10.802 ( -0.000 -0.000 7.145) 7.145 10.954 ( -0.000 -0.000 8.212) 8.212 11.246 ( -0.000 -0.000 1.706) 1.706 11.291 ( 0.000 0.000 -7.669) 7.669 11.501 ( -0.000 -0.000 2.270) 2.270 11.513 ( 0.000 0.000 -13.416) 13.416 11.899 ( 0.000 0.000 -2.125) 2.125 12.147 ( -0.000 -0.000 2.788) 2.788 12.385 ( -0.000 -0.000 5.573) 5.573 12.533 ( 0.000 0.000 -2.973) 2.973 12.796 ( 0.000 0.000 -3.386) 3.386 12.858 ( -0.000 -0.000 2.453) 2.453 12.992 ( 0.000 0.000 -3.391) 3.391 12.993 ( 0.000 0.000 -4.435) 4.435 13.291 ( -0.000 -0.000 10.035) 10.035 13.618 ( 0.000 0.000 -2.169) 2.169 13.723 ( -0.000 -0.000 2.301) 2.301 13.799 ( 0.000 0.000 -0.965) 0.965 13.919 ( 0.000 0.000 -1.882) 1.882 14.218 ( 0.000 0.000 -3.909) 3.909 14.589 ( -0.000 -0.000 0.019) 0.019 14.651 ( 0.000 0.000 -2.882) 2.882 14.853 ( -0.000 -0.000 2.264) 2.264 14.878 ( 0.000 0.000 -4.153) 4.153 14.902 ( 0.000 0.000 -4.198) 4.198 14.961 ( -0.000 -0.000 2.618) 2.618 14.996 ( 0.000 0.000 -0.019) 0.019 15.147 ( 0.000 0.000 -1.079) 1.079 15.235 ( 0.000 0.000 -0.695) 0.695 15.517 ( -0.000 -0.000 0.873) 0.873 15.640 ( 0.000 0.000 -1.529) 1.529 15.811 ( 0.000 0.000 -2.896) 2.896 16.074 ( -0.000 -0.000 3.153) 3.153 16.125 ( -0.000 -0.000 17.941) 17.941 16.206 ( 0.000 0.000 -2.506) 2.506 16.429 ( 0.000 0.000 -6.415) 6.415 16.458 ( -0.000 -0.000 0.740) 0.740 16.624 ( 0.000 0.000 -4.859) 4.859 16.668 ( 0.000 0.000 -0.752) 0.752 16.706 ( 0.000 0.000 -1.714) 1.714 16.801 ( -0.000 -0.000 8.793) 8.793 16.806 ( 0.000 0.000 -1.062) 1.062 17.172 ( 0.000 0.000 -9.635) 9.635 17.308 ( -0.000 -0.000 0.440) 0.440 17.468 ( -0.000 -0.000 4.003) 4.003 17.849 ( 0.000 0.000 -5.476) 5.476 17.982 ( -0.000 -0.000 1.043) 1.043 18.110 ( -0.000 -0.000 6.740) 6.740 18.841 ( 0.000 0.000 -0.145) 0.145 19.738 ( 0.000 0.000 -0.952) 0.952 20.849 ( -0.000 -0.000 8.076) 8.076 ======================= Grid point 89 (60/72) ======================= q-point: (-0.25 0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -0.000 -11.315 -0.000) 11.315 1.566 ( -0.000 -19.212 -0.000) 19.212 1.622 ( 0.000 1.050 0.000) 1.050 1.897 ( 0.000 1.839 0.000) 1.839 2.049 ( 0.000 4.910 0.000) 4.910 2.111 ( -0.000 -12.862 -0.000) 12.862 2.144 ( -0.000 -11.314 -0.000) 11.314 2.356 ( 0.000 2.562 0.000) 2.562 2.787 ( 0.000 10.672 0.000) 10.672 2.787 ( -0.000 -2.340 -0.000) 2.340 2.916 ( 0.000 5.647 0.000) 5.647 3.074 ( -0.000 -10.506 -0.000) 10.506 3.275 ( -0.000 -0.922 -0.000) 0.922 3.546 ( -0.000 -0.921 -0.000) 0.921 4.298 ( 0.000 2.028 0.000) 2.028 4.752 ( -0.000 -4.156 -0.000) 4.156 4.985 ( 0.000 27.092 0.000) 27.092 5.033 ( -0.000 -29.742 -0.000) 29.742 5.278 ( -0.000 -7.612 -0.000) 7.612 5.713 ( 0.000 17.962 0.000) 17.962 6.185 ( -0.000 -6.582 -0.000) 6.582 6.383 ( -0.000 -2.035 -0.000) 2.035 6.637 ( 0.000 8.824 0.000) 8.824 6.686 ( -0.000 -0.476 -0.000) 0.476 6.727 ( 0.000 6.517 0.000) 6.517 6.933 ( 0.000 14.723 0.000) 14.723 6.981 ( -0.000 -0.295 -0.000) 0.295 7.230 ( 0.000 4.028 0.000) 4.028 7.327 ( 0.000 6.833 0.000) 6.833 7.393 ( -0.000 -2.802 -0.000) 2.802 7.410 ( 0.000 3.074 0.000) 3.074 7.596 ( -0.000 -7.619 -0.000) 7.619 7.686 ( -0.000 -15.917 -0.000) 15.917 7.907 ( -0.000 -7.770 -0.000) 7.770 8.255 ( 0.000 3.545 0.000) 3.545 8.383 ( -0.000 -1.829 -0.000) 1.829 8.503 ( 0.000 1.934 0.000) 1.934 8.681 ( -0.000 -0.366 -0.000) 0.366 8.904 ( -0.000 -14.513 -0.000) 14.513 8.963 ( -0.000 -4.211 -0.000) 4.211 8.980 ( 0.000 16.165 0.000) 16.165 9.107 ( 0.000 7.897 0.000) 7.897 9.573 ( -0.000 -0.658 -0.000) 0.658 9.697 ( -0.000 -15.943 -0.000) 15.943 9.913 ( -0.000 -1.606 -0.000) 1.606 9.958 ( 0.000 2.739 0.000) 2.739 10.351 ( 0.000 3.418 0.000) 3.418 10.473 ( -0.000 -13.085 -0.000) 13.085 11.024 ( 0.000 8.651 0.000) 8.651 11.092 ( -0.000 -9.909 -0.000) 9.909 11.132 ( 0.000 3.141 0.000) 3.141 11.353 ( 0.000 4.214 0.000) 4.214 11.635 ( -0.000 -5.489 -0.000) 5.489 11.934 ( 0.000 5.052 0.000) 5.052 11.962 ( 0.000 17.118 0.000) 17.118 12.122 ( -0.000 -4.476 -0.000) 4.476 12.292 ( -0.000 -4.345 -0.000) 4.345 12.478 ( -0.000 -4.013 -0.000) 4.013 12.818 ( -0.000 -1.346 -0.000) 1.346 12.825 ( 0.000 3.051 0.000) 3.051 13.016 ( 0.000 2.442 0.000) 2.442 13.091 ( 0.000 9.416 0.000) 9.416 13.181 ( -0.000 -2.319 -0.000) 2.319 13.369 ( -0.000 -11.559 -0.000) 11.559 13.608 ( -0.000 -0.472 -0.000) 0.472 13.764 ( -0.000 -1.626 -0.000) 1.626 14.230 ( -0.000 -2.606 -0.000) 2.606 14.336 ( -0.000 -4.854 -0.000) 4.854 14.471 ( 0.000 11.190 0.000) 11.190 14.494 ( 0.000 5.337 0.000) 5.337 14.640 ( 0.000 2.115 0.000) 2.115 14.707 ( -0.000 -3.967 -0.000) 3.967 14.927 ( -0.000 -0.366 -0.000) 0.366 14.954 ( -0.000 -1.546 -0.000) 1.546 15.098 ( 0.000 1.209 0.000) 1.209 15.172 ( 0.000 1.496 0.000) 1.496 15.197 ( -0.000 -0.663 -0.000) 0.663 15.528 ( 0.000 1.369 0.000) 1.369 15.578 ( -0.000 -0.534 -0.000) 0.534 15.606 ( -0.000 -12.909 -0.000) 12.909 15.784 ( 0.000 2.427 0.000) 2.427 16.077 ( -0.000 -2.332 -0.000) 2.332 16.140 ( 0.000 1.164 0.000) 1.164 16.507 ( -0.000 -1.771 -0.000) 1.771 16.541 ( -0.000 -1.322 -0.000) 1.322 16.688 ( 0.000 3.950 0.000) 3.950 16.715 ( 0.000 0.135 0.000) 0.135 16.778 ( -0.000 -0.859 -0.000) 0.859 16.957 ( -0.000 -0.284 -0.000) 0.284 17.002 ( 0.000 10.989 0.000) 10.989 17.015 ( -0.000 -6.027 -0.000) 6.027 17.374 ( -0.000 -4.900 -0.000) 4.900 17.559 ( -0.000 -2.297 -0.000) 2.297 18.024 ( -0.000 -4.874 -0.000) 4.874 18.288 ( -0.000 -3.401 -0.000) 3.401 18.793 ( 0.000 0.921 0.000) 0.921 18.893 ( 0.000 20.646 0.000) 20.646 19.506 ( 0.000 12.614 0.000) 12.614 20.418 ( -0.000 -13.835 -0.000) 13.835 ======================= Grid point 92 (61/72) ======================= q-point: (-0.40 0.40 -0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 5.399 -1.187 0.000) 5.528 1.610 ( 3.773 0.661 0.000) 3.831 1.784 ( -2.555 -3.413 -0.000) 4.263 1.940 ( -0.739 4.086 0.000) 4.153 1.961 ( 4.692 -2.252 0.000) 5.204 2.214 ( -4.003 -9.750 -0.000) 10.540 2.309 ( 6.493 8.073 0.000) 10.360 2.562 ( -2.225 1.671 -0.000) 2.783 2.570 ( 10.065 -8.904 -0.000) 13.438 2.824 ( -0.613 -1.865 -0.000) 1.963 2.947 ( 4.656 -0.907 0.000) 4.744 3.190 ( -5.687 -0.209 -0.000) 5.691 3.319 ( 2.840 -1.244 0.000) 3.101 3.573 ( 0.331 -2.041 -0.000) 2.068 4.178 ( -5.374 4.655 0.000) 7.109 4.502 ( 3.804 19.219 0.000) 19.592 4.868 ( 3.589 -1.440 0.000) 3.867 5.215 ( -8.875 10.262 0.000) 13.568 5.440 ( 1.701 -6.330 -0.000) 6.554 5.671 ( 0.809 -19.177 -0.000) 19.194 6.099 ( -3.190 8.533 0.000) 9.110 6.419 ( -4.786 -3.847 -0.000) 6.140 6.477 ( -3.093 -0.668 -0.000) 3.164 6.511 ( -3.625 13.721 0.000) 14.192 6.670 ( 0.622 2.558 0.000) 2.632 6.840 ( 3.578 -6.856 -0.000) 7.733 7.089 ( -5.079 2.612 -0.000) 5.711 7.143 ( 8.568 -4.779 0.000) 9.811 7.250 ( 3.439 2.611 0.000) 4.319 7.494 ( 7.793 -0.703 0.000) 7.825 7.536 ( 14.701 2.527 0.000) 14.917 7.769 ( -4.793 -5.347 -0.000) 7.181 7.965 ( 2.316 -15.008 -0.000) 15.185 8.073 ( -3.155 -9.062 -0.000) 9.595 8.168 ( -3.765 0.035 -0.000) 3.765 8.380 ( -2.337 2.674 0.000) 3.551 8.481 ( 0.210 1.290 0.000) 1.307 8.660 ( -1.018 5.558 0.000) 5.651 8.814 ( 3.124 -2.689 -0.000) 4.122 8.997 ( 8.745 9.346 0.000) 12.799 9.095 ( -4.566 -14.734 -0.000) 15.425 9.228 ( 9.548 -5.087 0.000) 10.819 9.517 ( 0.661 3.233 0.000) 3.299 9.897 ( -2.980 0.146 -0.000) 2.983 9.908 ( -7.505 -3.442 -0.000) 8.257 10.047 ( 2.684 -11.254 -0.000) 11.570 10.258 ( 0.341 8.255 0.000) 8.262 10.540 ( -14.477 12.250 0.000) 18.964 10.654 ( -6.951 -7.456 -0.000) 10.194 11.070 ( -5.792 2.761 -0.000) 6.416 11.141 ( -8.403 -3.620 -0.000) 9.150 11.441 ( -7.824 11.207 0.000) 13.668 11.484 ( 16.884 5.113 0.000) 17.642 11.775 ( -3.472 2.274 -0.000) 4.151 11.940 ( 10.856 -0.891 0.000) 10.893 12.142 ( -4.782 -1.077 -0.000) 4.901 12.266 ( -11.797 -4.700 -0.000) 12.699 12.416 ( -7.225 3.307 -0.000) 7.946 12.514 ( -14.772 1.587 -0.000) 14.857 12.827 ( -0.685 4.998 0.000) 5.045 13.039 ( 4.204 -5.208 -0.000) 6.693 13.154 ( 11.894 0.614 0.000) 11.910 13.298 ( 4.886 -2.907 0.000) 5.685 13.573 ( -3.712 -7.499 -0.000) 8.367 13.670 ( 3.323 -1.217 0.000) 3.539 13.803 ( 1.789 0.803 0.000) 1.961 14.184 ( -1.588 12.313 0.000) 12.415 14.253 ( -7.898 1.421 -0.000) 8.025 14.349 ( -0.047 -3.770 -0.000) 3.770 14.434 ( 1.207 -3.331 -0.000) 3.543 14.662 ( -2.301 -2.976 -0.000) 3.762 14.688 ( -7.182 -2.813 -0.000) 7.713 14.898 ( -3.604 -0.959 -0.000) 3.730 14.973 ( -2.121 0.573 -0.000) 2.197 15.049 ( -1.768 1.632 0.000) 2.406 15.168 ( 0.620 1.493 0.000) 1.617 15.181 ( -2.005 -1.096 -0.000) 2.285 15.431 ( -2.258 -0.265 -0.000) 2.273 15.615 ( 1.310 2.176 0.000) 2.540 15.667 ( -8.430 -3.110 -0.000) 8.986 15.825 ( -2.034 -4.352 -0.000) 4.804 16.072 ( -4.743 -7.523 -0.000) 8.893 16.151 ( 1.379 1.034 0.000) 1.724 16.366 ( -8.377 5.693 -0.000) 10.128 16.459 ( -5.249 2.230 -0.000) 5.703 16.602 ( -3.583 0.293 -0.000) 3.595 16.753 ( 9.458 4.938 0.000) 10.670 16.789 ( 7.206 0.794 0.000) 7.249 16.843 ( -7.458 2.133 -0.000) 7.757 17.101 ( 10.575 0.483 0.000) 10.586 17.165 ( 1.394 -4.068 -0.000) 4.300 17.477 ( -0.810 -2.720 -0.000) 2.838 17.871 ( 23.587 -5.155 0.000) 24.144 17.891 ( -3.855 9.846 0.000) 10.573 18.467 ( 14.115 9.711 0.000) 17.133 18.513 ( -1.420 22.705 0.000) 22.750 18.750 ( 8.210 -6.230 -0.000) 10.306 19.433 ( -3.133 -7.179 -0.000) 7.833 20.634 ( -7.811 -14.755 -0.000) 16.695 ======================= Grid point 97 (62/72) ======================= q-point: ( 0.44 0.56 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -1.255 3.207 0.000) 3.444 1.793 ( 9.310 -0.549 0.000) 9.326 1.821 ( -0.627 -3.213 -0.000) 3.273 1.826 ( -0.326 4.712 0.000) 4.723 2.030 ( 1.938 0.258 0.000) 1.956 2.307 ( 11.329 8.137 0.000) 13.948 2.374 ( -0.569 -7.898 -0.000) 7.919 2.664 ( 7.666 -3.792 0.000) 8.553 2.767 ( 1.165 -1.327 -0.000) 1.766 2.851 ( -5.341 -1.824 -0.000) 5.644 3.000 ( -7.437 4.140 -0.000) 8.512 3.004 ( -4.215 -1.934 -0.000) 4.638 3.367 ( 5.517 0.325 0.000) 5.527 3.636 ( 0.848 -2.261 -0.000) 2.415 3.991 ( 0.485 4.759 0.000) 4.783 4.305 ( 3.246 8.529 0.000) 9.125 4.848 ( -8.519 7.836 0.000) 11.575 4.925 ( 4.453 2.653 0.000) 5.183 5.627 ( 4.225 -4.969 -0.000) 6.523 5.895 ( -6.084 0.264 -0.000) 6.090 5.953 ( -2.789 -11.174 -0.000) 11.517 6.244 ( 3.271 10.886 0.000) 11.367 6.308 ( -5.537 4.009 -0.000) 6.836 6.461 ( -5.614 -0.532 -0.000) 5.640 6.740 ( 0.288 -9.059 -0.000) 9.064 6.965 ( 0.184 -0.233 -0.000) 0.297 7.042 ( 1.894 -0.316 0.000) 1.920 7.300 ( 0.331 1.657 0.000) 1.690 7.331 ( 5.049 -3.145 0.000) 5.949 7.637 ( -3.977 -0.116 -0.000) 3.979 7.772 ( 6.068 -6.634 -0.000) 8.991 7.837 ( 21.236 2.866 0.000) 21.429 8.095 ( -3.644 -1.699 -0.000) 4.021 8.137 ( -10.289 -5.784 -0.000) 11.803 8.180 ( 6.361 7.519 0.000) 9.849 8.458 ( 2.083 0.739 0.000) 2.210 8.498 ( -8.831 -3.953 -0.000) 9.675 8.637 ( 10.272 -13.893 -0.000) 17.278 8.831 ( -4.236 -5.525 -0.000) 6.963 9.035 ( 7.703 5.337 0.000) 9.371 9.294 ( -9.506 -16.760 -0.000) 19.268 9.533 ( 4.731 -4.115 -0.000) 6.270 9.657 ( 10.581 -3.133 0.000) 11.035 9.707 ( -0.558 13.310 0.000) 13.322 9.833 ( 2.494 2.063 0.000) 3.237 9.953 ( -1.576 10.707 0.000) 10.823 10.155 ( -6.135 -1.969 -0.000) 6.443 10.240 ( -5.365 1.989 -0.000) 5.722 10.403 ( -10.898 10.349 0.000) 15.029 10.738 ( -17.046 4.678 -0.000) 17.676 10.975 ( -13.476 -2.573 -0.000) 13.719 11.221 ( 0.335 4.062 0.000) 4.075 11.556 ( -2.949 4.525 0.000) 5.401 11.842 ( 8.457 -3.675 0.000) 9.221 11.905 ( -19.236 -4.345 -0.000) 19.721 12.077 ( 1.847 0.630 0.000) 1.952 12.147 ( -10.680 6.334 -0.000) 12.417 12.282 ( -0.871 1.876 0.000) 2.068 12.358 ( 7.550 -4.756 0.000) 8.923 12.733 ( 0.602 2.978 0.000) 3.038 13.195 ( -2.520 -4.254 -0.000) 4.944 13.388 ( 8.298 -4.407 0.000) 9.395 13.473 ( 4.940 -3.790 -0.000) 6.227 13.566 ( -5.149 -2.185 -0.000) 5.594 13.758 ( 2.520 0.025 0.000) 2.520 13.760 ( 0.005 4.938 0.000) 4.938 13.996 ( 4.584 6.376 0.000) 7.853 14.069 ( -6.578 -1.312 -0.000) 6.708 14.378 ( 0.356 2.377 0.000) 2.404 14.517 ( 3.084 -0.587 0.000) 3.139 14.633 ( -9.937 -6.666 -0.000) 11.965 14.710 ( -3.827 -4.873 -0.000) 6.197 14.818 ( -3.854 1.688 -0.000) 4.207 14.872 ( -6.045 -0.464 -0.000) 6.063 14.955 ( -7.575 0.288 -0.000) 7.581 15.132 ( -3.164 -3.596 -0.000) 4.790 15.145 ( 0.370 1.684 0.000) 1.724 15.456 ( 2.431 -0.438 0.000) 2.470 15.578 ( -7.377 -4.415 -0.000) 8.597 15.581 ( -3.331 1.746 -0.000) 3.760 15.783 ( -0.834 2.900 0.000) 3.017 15.866 ( -5.482 7.490 0.000) 9.282 16.223 ( 1.668 2.154 0.000) 2.725 16.315 ( -2.797 -4.345 -0.000) 5.167 16.468 ( 7.100 -8.633 -0.000) 11.178 16.543 ( -8.434 8.093 0.000) 11.689 16.592 ( -1.155 -1.307 -0.000) 1.744 16.787 ( 1.875 1.855 0.000) 2.637 16.940 ( 6.784 -1.988 0.000) 7.069 17.160 ( -1.148 5.849 0.000) 5.961 17.287 ( 3.691 -5.596 -0.000) 6.703 17.429 ( 0.080 5.930 0.000) 5.930 17.763 ( 5.126 3.208 0.000) 6.047 17.963 ( -1.488 23.442 0.000) 23.490 18.480 ( 4.582 4.303 0.000) 6.286 18.508 ( 24.014 -4.712 0.000) 24.472 19.161 ( 12.504 -7.129 0.000) 14.393 19.562 ( -0.783 -7.889 -0.000) 7.928 20.734 ( -9.676 -10.931 -0.000) 14.598 ======================= Grid point 101 (63/72) ======================= q-point: ( 0.29 -0.29 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -7.201 0.000 -0.000) 7.201 1.760 ( -0.675 0.000 -0.000) 0.675 1.778 ( -7.579 0.000 -0.000) 7.579 1.974 ( 6.719 -0.000 0.000) 6.719 2.086 ( 2.455 -0.000 0.000) 2.455 2.416 ( -7.703 0.000 -0.000) 7.703 2.433 ( 11.425 -0.000 0.000) 11.425 2.629 ( -9.580 0.000 -0.000) 9.580 2.778 ( -5.158 0.000 -0.000) 5.158 2.790 ( -8.978 0.000 -0.000) 8.978 2.940 ( 8.263 -0.000 0.000) 8.263 3.011 ( 11.641 -0.000 0.000) 11.641 3.415 ( -4.562 0.000 -0.000) 4.562 3.669 ( -0.911 0.000 -0.000) 0.911 4.050 ( 7.962 -0.000 0.000) 7.962 4.237 ( 0.125 -0.000 0.000) 0.125 4.577 ( -9.805 0.000 -0.000) 9.805 4.995 ( 6.456 -0.000 0.000) 6.456 5.704 ( -4.235 0.000 -0.000) 4.235 5.838 ( 0.707 -0.000 0.000) 0.707 6.103 ( -1.175 0.000 -0.000) 1.175 6.133 ( 2.260 -0.000 0.000) 2.260 6.234 ( 7.933 -0.000 0.000) 7.933 6.294 ( -9.843 0.000 -0.000) 9.843 6.854 ( -0.867 0.000 -0.000) 0.867 6.989 ( 2.576 -0.000 0.000) 2.576 7.097 ( 3.856 -0.000 0.000) 3.856 7.203 ( -3.834 0.000 -0.000) 3.834 7.504 ( 6.773 -0.000 0.000) 6.773 7.559 ( -3.034 0.000 -0.000) 3.034 7.944 ( -16.048 0.000 -0.000) 16.048 7.952 ( -10.772 0.000 -0.000) 10.772 8.019 ( -1.381 0.000 -0.000) 1.381 8.022 ( -5.512 0.000 -0.000) 5.512 8.248 ( 21.980 -0.000 0.000) 21.980 8.368 ( 1.880 -0.000 0.000) 1.880 8.586 ( 9.192 -0.000 0.000) 9.192 8.814 ( 1.303 -0.000 0.000) 1.303 9.092 ( 5.120 -0.000 0.000) 5.120 9.339 ( 16.414 -0.000 0.000) 16.414 9.345 ( -13.396 0.000 -0.000) 13.396 9.472 ( -7.941 0.000 -0.000) 7.941 9.512 ( 11.786 -0.000 0.000) 11.786 9.517 ( -19.919 0.000 -0.000) 19.919 9.598 ( -11.881 0.000 -0.000) 11.881 10.053 ( -12.348 0.000 -0.000) 12.348 10.113 ( -3.745 0.000 -0.000) 3.745 10.187 ( 14.771 -0.000 0.000) 14.771 10.423 ( 2.376 -0.000 0.000) 2.376 10.443 ( 28.465 -0.000 0.000) 28.465 10.633 ( -23.648 0.000 -0.000) 23.648 11.218 ( 2.694 -0.000 0.000) 2.694 11.364 ( -8.133 0.000 -0.000) 8.133 11.687 ( -9.586 0.000 -0.000) 9.586 11.757 ( -15.759 0.000 -0.000) 15.759 12.079 ( 7.392 -0.000 0.000) 7.392 12.132 ( 2.525 -0.000 0.000) 2.525 12.259 ( 0.602 -0.000 0.000) 0.602 12.621 ( 10.956 -0.000 0.000) 10.956 12.732 ( 2.253 -0.000 0.000) 2.253 13.090 ( -9.364 0.000 -0.000) 9.364 13.431 ( -7.504 0.000 -0.000) 7.504 13.600 ( -4.603 0.000 -0.000) 4.603 13.636 ( 6.422 -0.000 0.000) 6.422 13.722 ( -0.471 0.000 -0.000) 0.471 13.749 ( 8.918 -0.000 0.000) 8.918 14.032 ( -0.610 0.000 -0.000) 0.610 14.107 ( 11.140 -0.000 0.000) 11.140 14.354 ( -1.578 0.000 -0.000) 1.578 14.477 ( -14.332 0.000 -0.000) 14.332 14.592 ( -1.472 0.000 -0.000) 1.472 14.645 ( -4.915 0.000 -0.000) 4.915 14.688 ( 1.889 -0.000 0.000) 1.889 14.790 ( -3.034 0.000 -0.000) 3.034 14.838 ( -1.522 0.000 -0.000) 1.522 15.120 ( -5.738 0.000 -0.000) 5.738 15.150 ( 0.256 -0.000 0.000) 0.256 15.432 ( -1.748 0.000 -0.000) 1.748 15.512 ( -4.960 0.000 -0.000) 4.960 15.531 ( 3.694 -0.000 0.000) 3.694 15.751 ( 1.286 -0.000 0.000) 1.286 15.824 ( 3.562 -0.000 0.000) 3.562 16.243 ( -5.576 0.000 -0.000) 5.576 16.280 ( 4.937 -0.000 0.000) 4.937 16.379 ( 1.833 -0.000 0.000) 1.833 16.562 ( -2.841 0.000 -0.000) 2.841 16.745 ( 1.170 -0.000 0.000) 1.170 16.884 ( 6.641 -0.000 0.000) 6.641 16.910 ( -4.747 0.000 -0.000) 4.747 17.094 ( 5.070 -0.000 0.000) 5.070 17.359 ( -1.246 0.000 -0.000) 1.246 17.445 ( -2.369 0.000 -0.000) 2.369 17.600 ( -0.873 0.000 -0.000) 0.873 17.801 ( 2.188 -0.000 0.000) 2.188 18.473 ( -0.407 0.000 -0.000) 0.407 18.868 ( 7.423 -0.000 0.000) 7.423 19.445 ( 8.295 -0.000 0.000) 8.295 19.722 ( 7.522 -0.000 0.000) 7.522 20.684 ( -8.187 0.000 -0.000) 8.187 ======================= Grid point 104 (64/72) ======================= q-point: ( 0.46 0.29 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 0.000 0.789 5.929) 5.981 1.547 ( 0.000 0.274 0.522) 0.589 1.592 ( 0.000 5.819 19.902) 20.735 1.744 ( 0.000 2.507 6.403) 6.876 2.030 ( 0.000 4.666 -0.361) 4.680 2.075 ( -0.000 -4.348 -6.156) 7.537 2.336 ( 0.000 -0.863 11.862) 11.893 2.470 ( -0.000 -0.195 -2.116) 2.125 2.640 ( 0.000 1.922 14.646) 14.771 2.869 ( -0.000 -7.465 -11.405) 13.631 3.112 ( -0.000 -4.345 -1.550) 4.613 3.267 ( 0.000 3.369 0.729) 3.447 3.344 ( -0.000 -2.230 -1.615) 2.754 3.476 ( 0.000 -0.527 4.952) 4.980 4.017 ( 0.000 16.256 -0.185) 16.257 4.227 ( -0.000 -0.292 -2.019) 2.040 4.760 ( 0.000 4.798 5.017) 6.942 5.172 ( -0.000 7.030 -13.920) 15.595 5.586 ( -0.000 -4.683 -8.906) 10.062 6.011 ( 0.000 4.474 -2.211) 4.991 6.215 ( -0.000 -12.569 1.651) 12.677 6.373 ( -0.000 1.209 -6.746) 6.854 6.452 ( 0.000 -0.028 2.863) 2.863 6.644 ( -0.000 -3.329 0.442) 3.358 6.652 ( -0.000 -7.178 -0.074) 7.179 7.012 ( 0.000 2.471 3.612) 4.377 7.080 ( -0.000 -6.165 -7.612) 9.796 7.095 ( -0.000 -0.921 -1.699) 1.932 7.169 ( 0.000 3.840 4.153) 5.656 7.250 ( 0.000 1.564 -0.797) 1.756 7.336 ( 0.000 2.755 -2.458) 3.692 7.950 ( -0.000 -5.088 -1.931) 5.442 8.069 ( 0.000 4.458 4.542) 6.364 8.182 ( -0.000 -9.442 8.899) 12.975 8.274 ( 0.000 3.137 -4.891) 5.811 8.421 ( 0.000 2.509 7.882) 8.272 8.456 ( 0.000 0.975 0.529) 1.110 8.613 ( -0.000 -10.954 2.680) 11.277 8.724 ( -0.000 -4.958 2.846) 5.717 8.952 ( -0.000 -1.889 -7.662) 7.891 9.185 ( -0.000 -1.041 -3.419) 3.574 9.378 ( 0.000 4.501 4.476) 6.348 9.461 ( -0.000 -7.597 -4.906) 9.043 9.908 ( 0.000 -0.771 2.744) 2.851 10.044 ( -0.000 -0.906 0.324) 0.962 10.100 ( 0.000 9.178 1.450) 9.292 10.211 ( -0.000 -7.258 3.540) 8.075 10.505 ( 0.000 6.883 1.654) 7.079 10.906 ( -0.000 -1.173 0.386) 1.235 11.045 ( 0.000 0.796 -0.360) 0.874 11.208 ( 0.000 2.583 -2.064) 3.306 11.267 ( -0.000 -1.182 1.169) 1.663 11.348 ( 0.000 9.160 -9.212) 12.991 11.620 ( 0.000 3.566 5.725) 6.745 11.853 ( -0.000 -1.772 -1.259) 2.173 12.216 ( 0.000 -0.360 1.986) 2.019 12.444 ( -0.000 -2.227 2.208) 3.136 12.494 ( 0.000 1.081 -0.104) 1.086 12.758 ( 0.000 2.218 -2.863) 3.621 12.900 ( -0.000 -0.456 -3.056) 3.090 12.902 ( -0.000 0.022 -4.237) 4.237 12.909 ( 0.000 0.982 1.024) 1.419 13.359 ( -0.000 -6.212 3.316) 7.042 13.640 ( 0.000 -0.015 1.723) 1.723 13.767 ( -0.000 -2.066 -2.203) 3.020 13.771 ( 0.000 0.587 1.341) 1.464 13.952 ( 0.000 9.274 -2.525) 9.612 14.240 ( 0.000 3.707 1.796) 4.119 14.470 ( -0.000 -8.571 1.286) 8.667 14.600 ( -0.000 0.055 -1.652) 1.652 14.642 ( -0.000 -4.034 -6.596) 7.732 14.879 ( -0.000 -4.529 4.156) 6.147 14.965 ( 0.000 3.400 0.372) 3.420 15.000 ( 0.000 -0.722 1.530) 1.692 15.040 ( -0.000 0.463 -1.327) 1.405 15.136 ( 0.000 0.510 -0.580) 0.772 15.221 ( -0.000 -0.082 -0.503) 0.510 15.472 ( -0.000 -8.117 1.813) 8.317 15.551 ( 0.000 0.831 1.287) 1.531 15.746 ( -0.000 -0.112 -2.677) 2.679 16.027 ( -0.000 -4.173 2.511) 4.870 16.136 ( 0.000 -0.685 2.802) 2.884 16.208 ( -0.000 -9.086 1.213) 9.166 16.404 ( 0.000 3.277 3.062) 4.485 16.486 ( 0.000 2.071 0.437) 2.116 16.619 ( -0.000 -1.749 0.806) 1.926 16.722 ( 0.000 4.561 -1.842) 4.919 16.723 ( 0.000 2.586 -2.616) 3.678 16.759 ( -0.000 -0.077 -0.539) 0.544 16.999 ( -0.000 -0.220 -6.240) 6.244 17.178 ( 0.000 4.647 3.964) 6.108 17.310 ( 0.000 7.919 -3.974) 8.860 17.592 ( 0.000 5.830 3.980) 7.059 17.952 ( -0.000 4.017 -7.846) 8.815 18.052 ( 0.000 19.354 0.671) 19.365 18.186 ( -0.000 -2.966 3.791) 4.813 18.784 ( -0.000 -3.804 -1.745) 4.185 19.642 ( -0.000 -6.564 -1.250) 6.682 20.886 ( -0.000 -10.130 7.470) 12.586 ======================= Grid point 109 (65/72) ======================= q-point: ( 0.30 0.45 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -1.355 -0.000 9.309) 9.407 1.562 ( 5.758 -0.000 8.384) 10.171 1.636 ( 6.472 -0.000 9.221) 11.266 1.793 ( 7.395 -0.000 3.211) 8.062 1.996 ( 3.566 0.000 -1.088) 3.729 2.055 ( -4.769 0.000 -0.455) 4.790 2.364 ( 2.440 -0.000 11.047) 11.314 2.506 ( -0.450 0.000 -4.518) 4.540 2.689 ( 6.259 -0.000 15.275) 16.507 3.022 ( 5.914 0.000 -11.641) 13.058 3.114 ( -7.834 -0.000 2.760) 8.305 3.162 ( -1.932 0.000 -0.530) 2.004 3.344 ( -2.165 0.000 -3.774) 4.350 3.525 ( 3.027 -0.000 5.181) 6.000 3.860 ( 3.429 0.000 -1.113) 3.606 4.233 ( -0.017 0.000 -2.554) 2.554 4.683 ( -2.152 -0.000 6.441) 6.791 5.095 ( 0.571 0.000 -15.037) 15.048 5.672 ( 2.866 0.000 -10.020) 10.422 5.982 ( 1.549 -0.000 1.346) 2.052 6.146 ( -5.913 0.000 -5.125) 7.825 6.252 ( -9.732 0.000 -0.604) 9.751 6.492 ( -16.102 0.000 -1.694) 16.191 6.524 ( -0.665 0.000 -0.518) 0.842 6.861 ( -4.214 -0.000 7.856) 8.915 6.891 ( 0.139 -0.000 5.496) 5.498 7.119 ( -0.292 0.000 -6.500) 6.506 7.132 ( 10.018 0.000 -1.852) 10.188 7.292 ( 6.272 0.000 -2.150) 6.630 7.427 ( 11.008 -0.000 -0.461) 11.018 7.481 ( 20.768 -0.000 1.308) 20.810 7.854 ( -6.247 0.000 -5.003) 8.004 7.987 ( -4.099 -0.000 3.006) 5.083 8.193 ( -3.452 0.000 -0.830) 3.551 8.358 ( 4.430 0.000 -0.573) 4.467 8.364 ( -7.045 -0.000 12.395) 14.257 8.505 ( 12.233 -0.000 1.751) 12.357 8.827 ( -13.250 0.000 -8.172) 15.568 8.887 ( 6.308 -0.000 2.871) 6.931 8.973 ( 16.422 -0.000 1.981) 16.541 9.329 ( 12.431 0.000 -1.786) 12.559 9.365 ( 6.972 -0.000 4.529) 8.314 9.511 ( -25.796 -0.000 7.161) 26.772 9.621 ( 4.005 0.000 -6.351) 7.509 9.898 ( -8.875 0.000 -2.258) 9.157 10.037 ( -7.024 -0.000 2.274) 7.383 10.327 ( -1.587 -0.000 2.528) 2.985 10.374 ( -3.171 0.000 -2.402) 3.978 10.628 ( -23.266 0.000 1.936) 23.347 10.937 ( -10.583 -0.000 2.755) 10.936 11.144 ( -0.212 -0.000 0.080) 0.227 11.222 ( -5.972 0.000 -0.402) 5.986 11.435 ( 11.190 0.000 -7.113) 13.260 11.637 ( 5.983 -0.000 5.310) 8.000 12.011 ( 9.696 0.000 -1.261) 9.777 12.222 ( 0.530 -0.000 3.411) 3.452 12.258 ( -14.153 0.000 -2.071) 14.303 12.412 ( -5.661 -0.000 1.786) 5.936 12.495 ( -21.817 0.000 -5.673) 22.542 12.729 ( -0.302 0.000 -3.738) 3.751 13.093 ( 13.051 -0.000 2.765) 13.340 13.236 ( 14.716 0.000 -3.008) 15.020 13.421 ( -1.747 -0.000 4.752) 5.063 13.641 ( -1.074 -0.000 3.664) 3.818 13.743 ( -1.862 -0.000 1.003) 2.115 13.813 ( 3.871 -0.000 -0.352) 3.887 13.833 ( -2.238 0.000 -4.819) 5.313 14.142 ( -3.312 0.000 -0.231) 3.320 14.420 ( -8.308 0.000 0.953) 8.362 14.588 ( -2.973 0.000 -5.368) 6.136 14.738 ( 0.985 0.000 -2.369) 2.565 14.884 ( -2.804 -0.000 1.016) 2.982 14.897 ( -5.264 -0.000 3.468) 6.304 14.937 ( -4.155 0.000 -0.458) 4.180 15.028 ( 1.841 -0.000 3.097) 3.603 15.108 ( -8.168 -0.000 2.696) 8.601 15.242 ( 5.525 0.000 -2.213) 5.952 15.548 ( -1.230 0.000 -2.873) 3.125 15.605 ( 1.284 -0.000 3.769) 3.982 15.766 ( 1.344 0.000 -3.194) 3.465 15.771 ( -20.714 -0.000 6.469) 21.701 16.019 ( -21.387 0.000 -3.864) 21.733 16.178 ( 1.744 0.000 -2.593) 3.125 16.346 ( 2.121 0.000 -4.439) 4.919 16.530 ( 3.991 -0.000 2.413) 4.664 16.639 ( 0.403 -0.000 1.007) 1.085 16.661 ( 0.667 -0.000 0.875) 1.100 16.792 ( -8.195 0.000 -1.988) 8.433 16.860 ( 3.337 0.000 -1.825) 3.803 16.949 ( 0.327 -0.000 4.605) 4.617 17.035 ( 12.478 -0.000 6.174) 13.921 17.523 ( 14.452 0.000 -5.250) 15.376 17.550 ( 1.413 -0.000 2.332) 2.727 17.720 ( -4.641 0.000 -1.047) 4.758 18.106 ( 11.277 -0.000 -0.070) 11.277 18.388 ( 16.243 0.000 -5.006) 16.997 18.971 ( 13.031 -0.000 -0.295) 13.034 19.693 ( -1.994 0.000 -1.218) 2.336 20.940 ( -5.611 -0.000 6.040) 8.244 ======================= Grid point 118 (66/72) ======================= q-point: (-0.33 0.33 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -0.000 -3.260 -0.000) 3.260 1.593 ( 0.000 1.459 0.000) 1.459 1.859 ( 0.000 1.728 0.000) 1.728 1.863 ( -0.000 -8.892 -0.000) 8.892 1.950 ( 0.000 4.731 0.000) 4.731 2.238 ( 0.000 9.205 0.000) 9.205 2.294 ( -0.000 -5.201 -0.000) 5.201 2.412 ( -0.000 -14.237 -0.000) 14.237 2.606 ( 0.000 5.772 0.000) 5.772 2.832 ( -0.000 -1.843 -0.000) 1.843 2.885 ( -0.000 -4.497 -0.000) 4.497 3.253 ( -0.000 -4.485 -0.000) 4.485 3.297 ( -0.000 -1.156 -0.000) 1.156 3.565 ( -0.000 -0.464 -0.000) 0.464 4.245 ( 0.000 2.595 0.000) 2.595 4.448 ( 0.000 23.763 0.000) 23.763 4.834 ( -0.000 -2.868 -0.000) 2.868 5.295 ( 0.000 18.845 0.000) 18.845 5.423 ( -0.000 -5.248 -0.000) 5.248 5.684 ( -0.000 -31.270 -0.000) 31.270 6.126 ( 0.000 8.737 0.000) 8.737 6.481 ( -0.000 -4.263 -0.000) 4.263 6.529 ( -0.000 -0.095 -0.000) 0.095 6.561 ( 0.000 17.499 0.000) 17.499 6.659 ( 0.000 2.366 0.000) 2.366 6.803 ( -0.000 -10.376 -0.000) 10.376 7.018 ( -0.000 -3.090 -0.000) 3.090 7.178 ( 0.000 6.816 0.000) 6.816 7.203 ( 0.000 0.048 0.000) 0.048 7.356 ( 0.000 2.719 0.000) 2.719 7.370 ( 0.000 3.579 0.000) 3.579 7.772 ( -0.000 -8.608 -0.000) 8.608 8.071 ( -0.000 -16.507 -0.000) 16.507 8.107 ( -0.000 -10.197 -0.000) 10.197 8.211 ( 0.000 0.751 0.000) 0.751 8.424 ( -0.000 -1.766 -0.000) 1.766 8.475 ( -0.000 -0.467 -0.000) 0.467 8.649 ( 0.000 13.236 0.000) 13.236 8.686 ( -0.000 -0.832 -0.000) 0.832 8.943 ( 0.000 7.099 0.000) 7.099 9.071 ( -0.000 -5.208 -0.000) 5.208 9.197 ( -0.000 -12.671 -0.000) 12.671 9.525 ( 0.000 4.099 0.000) 4.099 9.931 ( -0.000 -0.281 -0.000) 0.281 9.990 ( -0.000 -3.776 -0.000) 3.776 10.009 ( -0.000 -13.469 -0.000) 13.469 10.259 ( 0.000 5.677 0.000) 5.677 10.733 ( -0.000 -11.414 -0.000) 11.414 10.782 ( 0.000 13.658 0.000) 13.658 11.064 ( 0.000 2.873 0.000) 2.873 11.228 ( -0.000 -3.825 -0.000) 3.825 11.270 ( 0.000 3.751 0.000) 3.751 11.585 ( 0.000 18.202 0.000) 18.202 11.754 ( -0.000 -5.286 -0.000) 5.286 11.811 ( 0.000 6.405 0.000) 6.405 12.193 ( -0.000 -2.648 -0.000) 2.648 12.384 ( -0.000 -4.370 -0.000) 4.370 12.534 ( -0.000 -0.425 -0.000) 0.425 12.775 ( 0.000 1.773 0.000) 1.773 12.846 ( -0.000 -1.147 -0.000) 1.147 12.920 ( 0.000 6.577 0.000) 6.577 12.964 ( 0.000 2.307 0.000) 2.307 13.245 ( -0.000 -5.225 -0.000) 5.225 13.615 ( -0.000 -8.980 -0.000) 8.980 13.633 ( -0.000 -1.750 -0.000) 1.750 13.785 ( -0.000 -0.380 -0.000) 0.380 14.197 ( 0.000 13.901 0.000) 13.901 14.263 ( -0.000 -3.153 -0.000) 3.153 14.430 ( -0.000 -3.866 -0.000) 3.866 14.462 ( -0.000 -0.636 -0.000) 0.636 14.603 ( 0.000 1.371 0.000) 1.371 14.822 ( -0.000 -6.422 -0.000) 6.422 14.948 ( -0.000 -1.531 -0.000) 1.531 14.987 ( -0.000 -1.563 -0.000) 1.563 15.056 ( 0.000 2.804 0.000) 2.804 15.146 ( 0.000 0.997 0.000) 0.997 15.211 ( -0.000 -0.516 -0.000) 0.516 15.480 ( 0.000 2.593 0.000) 2.593 15.578 ( 0.000 0.387 0.000) 0.387 15.738 ( 0.000 1.765 0.000) 1.765 15.875 ( -0.000 -12.288 -0.000) 12.288 16.120 ( 0.000 0.017 0.000) 0.017 16.127 ( -0.000 -2.284 -0.000) 2.284 16.531 ( 0.000 0.026 0.000) 0.026 16.579 ( 0.000 5.164 0.000) 5.164 16.587 ( -0.000 -2.625 -0.000) 2.625 16.693 ( 0.000 1.268 0.000) 1.268 16.776 ( 0.000 1.369 0.000) 1.369 16.792 ( 0.000 8.261 0.000) 8.261 16.948 ( 0.000 0.825 0.000) 0.825 17.134 ( -0.000 -4.680 -0.000) 4.680 17.467 ( -0.000 -1.452 -0.000) 1.452 17.620 ( -0.000 -3.397 -0.000) 3.397 18.127 ( 0.000 19.022 0.000) 19.022 18.133 ( -0.000 -5.138 -0.000) 5.138 18.527 ( 0.000 22.094 0.000) 22.094 18.673 ( -0.000 -1.635 -0.000) 1.635 19.466 ( -0.000 -6.622 -0.000) 6.622 20.714 ( -0.000 -13.827 -0.000) 13.827 ======================= Grid point 123 (67/72) ======================= q-point: (-0.49 -0.51 0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -0.074 0.889 0.000) 0.892 1.616 ( 7.384 -0.482 0.000) 7.400 1.813 ( 0.084 -0.870 -0.000) 0.874 1.839 ( -0.656 4.747 0.000) 4.792 1.997 ( 2.884 -0.549 0.000) 2.936 2.115 ( 6.689 8.591 0.000) 10.888 2.382 ( -0.787 -6.187 -0.000) 6.237 2.572 ( 1.759 -2.288 -0.000) 2.887 2.712 ( 4.134 -3.217 -0.000) 5.238 2.876 ( 1.307 -3.006 -0.000) 3.277 3.048 ( -0.469 -6.335 -0.000) 6.353 3.178 ( -8.081 1.805 -0.000) 8.280 3.304 ( -0.115 0.533 0.000) 0.546 3.597 ( 2.832 -0.435 0.000) 2.865 4.000 ( -1.135 11.815 0.000) 11.869 4.239 ( 3.251 5.013 0.000) 5.975 4.860 ( 2.179 2.327 0.000) 3.188 4.967 ( -3.526 9.198 0.000) 9.851 5.534 ( 4.076 -2.831 0.000) 4.962 5.978 ( -1.546 1.784 0.000) 2.361 6.093 ( -10.991 -15.283 -0.000) 18.825 6.235 ( -1.929 11.048 0.000) 11.215 6.456 ( -7.308 -0.902 -0.000) 7.363 6.535 ( -3.521 -0.528 -0.000) 3.560 6.710 ( 2.895 -9.866 -0.000) 10.282 6.976 ( -1.237 -3.311 -0.000) 3.535 7.036 ( -1.033 1.645 0.000) 1.942 7.219 ( 7.352 1.013 0.000) 7.422 7.245 ( 3.543 -1.565 0.000) 3.874 7.454 ( 17.704 0.409 0.000) 17.709 7.470 ( 14.990 3.070 0.000) 15.301 7.825 ( -8.595 0.277 -0.000) 8.599 8.111 ( -0.807 5.703 0.000) 5.760 8.164 ( -3.335 -1.097 -0.000) 3.510 8.279 ( -1.952 -7.233 -0.000) 7.492 8.434 ( 4.257 -10.277 -0.000) 11.124 8.484 ( -5.410 -1.493 -0.000) 5.612 8.673 ( 0.285 -6.570 -0.000) 6.577 8.783 ( -0.433 2.553 0.000) 2.589 8.965 ( 10.039 -3.933 0.000) 10.782 9.283 ( 13.005 -2.712 0.000) 13.285 9.408 ( -1.723 -11.428 -0.000) 11.557 9.450 ( 3.974 2.814 0.000) 4.869 9.850 ( -13.362 13.506 0.000) 18.999 9.879 ( -4.474 1.337 -0.000) 4.669 10.077 ( -5.614 3.563 -0.000) 6.649 10.245 ( -1.491 -7.704 -0.000) 7.847 10.380 ( -8.508 3.166 -0.000) 9.078 10.718 ( -17.214 2.415 -0.000) 17.383 11.001 ( -7.875 3.274 -0.000) 8.529 11.176 ( -6.868 0.416 -0.000) 6.881 11.243 ( -2.442 4.618 0.000) 5.223 11.389 ( 15.682 3.480 0.000) 16.063 11.723 ( 4.050 2.161 0.000) 4.590 11.978 ( 10.247 -1.841 0.000) 10.411 12.183 ( -7.988 -2.588 -0.000) 8.396 12.334 ( -6.951 4.180 -0.000) 8.111 12.360 ( -12.155 -3.999 -0.000) 12.796 12.480 ( -16.353 1.947 -0.000) 16.468 12.728 ( -0.001 3.816 0.000) 3.816 13.110 ( 11.319 -1.503 0.000) 11.419 13.172 ( 13.656 -1.912 0.000) 13.789 13.393 ( 0.873 -5.603 -0.000) 5.670 13.676 ( -4.760 -3.319 -0.000) 5.802 13.705 ( 2.587 -2.019 -0.000) 3.281 13.778 ( -0.988 1.338 0.000) 1.663 13.941 ( 1.736 10.092 0.000) 10.241 14.210 ( -6.063 3.838 -0.000) 7.176 14.417 ( -5.274 -1.676 -0.000) 5.534 14.494 ( -0.426 -2.302 -0.000) 2.341 14.683 ( 3.329 -2.140 0.000) 3.958 14.856 ( -8.363 -7.938 -0.000) 11.530 14.903 ( -4.518 0.177 -0.000) 4.522 14.952 ( -3.803 1.709 -0.000) 4.170 15.045 ( 0.620 -1.183 -0.000) 1.336 15.151 ( 0.967 -0.976 -0.000) 1.374 15.185 ( -3.739 0.452 -0.000) 3.766 15.463 ( -2.184 -3.572 -0.000) 4.187 15.584 ( 1.269 0.026 0.000) 1.269 15.700 ( -2.367 -1.140 -0.000) 2.628 15.919 ( -14.884 -3.267 -0.000) 15.238 16.015 ( -7.843 7.334 0.000) 10.738 16.229 ( -4.233 6.316 0.000) 7.603 16.315 ( 8.005 -5.983 0.000) 9.994 16.398 ( -5.639 -1.368 -0.000) 5.803 16.617 ( -1.799 -1.029 -0.000) 2.072 16.687 ( 1.104 1.158 0.000) 1.599 16.799 ( -8.771 1.892 -0.000) 8.972 16.806 ( 6.492 -2.439 0.000) 6.935 17.132 ( 14.571 -4.320 0.000) 15.198 17.192 ( -1.488 5.035 0.000) 5.250 17.364 ( 5.992 11.005 0.000) 12.530 17.746 ( -4.363 0.091 -0.000) 4.364 17.863 ( 16.695 13.758 0.000) 21.633 18.103 ( 7.296 6.678 0.000) 9.891 18.355 ( 8.175 1.701 0.000) 8.351 18.902 ( 12.277 -6.114 0.000) 13.716 19.602 ( -2.343 -6.952 -0.000) 7.337 20.898 ( -6.341 -9.565 -0.000) 11.476 ======================= Grid point 127 (68/72) ======================= q-point: ( 0.36 0.64 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -3.626 0.000 -0.000) 3.626 1.768 ( -0.500 0.000 -0.000) 0.500 1.801 ( 9.897 -0.000 0.000) 9.897 1.872 ( -1.165 0.000 -0.000) 1.165 2.027 ( 1.823 -0.000 0.000) 1.823 2.189 ( 12.792 -0.000 0.000) 12.792 2.460 ( 0.051 -0.000 0.000) 0.051 2.718 ( 8.563 -0.000 0.000) 8.563 2.774 ( 4.117 -0.000 0.000) 4.117 2.907 ( -14.727 0.000 -0.000) 14.727 2.909 ( -3.469 0.000 -0.000) 3.469 3.035 ( -6.848 0.000 -0.000) 6.848 3.381 ( 5.718 -0.000 0.000) 5.718 3.661 ( 1.829 -0.000 0.000) 1.829 3.919 ( 5.123 -0.000 0.000) 5.123 4.223 ( 1.144 -0.000 0.000) 1.144 4.752 ( -7.794 0.000 -0.000) 7.794 4.889 ( 4.438 -0.000 0.000) 4.438 5.676 ( 5.385 -0.000 0.000) 5.385 5.939 ( -8.582 0.000 -0.000) 8.582 6.091 ( 6.480 -0.000 0.000) 6.480 6.122 ( -2.376 0.000 -0.000) 2.376 6.216 ( -9.945 0.000 -0.000) 9.945 6.462 ( -6.054 0.000 -0.000) 6.054 6.893 ( -3.084 0.000 -0.000) 3.084 6.967 ( -0.082 0.000 -0.000) 0.082 7.036 ( 1.835 -0.000 0.000) 1.835 7.227 ( 2.847 -0.000 0.000) 2.847 7.377 ( 5.948 -0.000 0.000) 5.948 7.627 ( -5.683 0.000 -0.000) 5.683 7.797 ( 21.855 -0.000 0.000) 21.855 7.953 ( 17.067 -0.000 0.000) 17.067 7.993 ( 1.401 -0.000 0.000) 1.401 8.114 ( -3.734 0.000 -0.000) 3.734 8.215 ( -15.048 0.000 -0.000) 15.048 8.443 ( 5.546 -0.000 0.000) 5.546 8.496 ( -11.549 0.000 -0.000) 11.549 8.836 ( 17.213 -0.000 0.000) 17.213 8.945 ( -11.782 0.000 -0.000) 11.782 9.152 ( -2.834 0.000 -0.000) 2.834 9.287 ( 12.300 -0.000 0.000) 12.300 9.548 ( -2.077 0.000 -0.000) 2.077 9.575 ( -1.919 0.000 -0.000) 1.919 9.729 ( 22.472 -0.000 0.000) 22.472 9.776 ( 4.135 -0.000 0.000) 4.135 9.858 ( -13.101 0.000 -0.000) 13.101 10.173 ( -16.257 0.000 -0.000) 16.257 10.225 ( -7.011 0.000 -0.000) 7.011 10.252 ( -7.493 0.000 -0.000) 7.493 10.682 ( -17.481 0.000 -0.000) 17.481 11.012 ( -14.416 0.000 -0.000) 14.416 11.174 ( 1.253 -0.000 0.000) 1.253 11.505 ( -2.426 0.000 -0.000) 2.426 11.887 ( 11.056 -0.000 0.000) 11.056 11.981 ( -20.306 0.000 -0.000) 20.306 12.046 ( -9.701 0.000 -0.000) 9.701 12.068 ( 0.295 -0.000 0.000) 0.295 12.260 ( -0.288 0.000 -0.000) 0.288 12.410 ( 8.068 -0.000 0.000) 8.068 12.699 ( 1.128 -0.000 0.000) 1.128 13.247 ( -4.356 0.000 -0.000) 4.356 13.460 ( 11.387 -0.000 0.000) 11.387 13.521 ( 7.527 -0.000 0.000) 7.527 13.597 ( -4.965 0.000 -0.000) 4.965 13.688 ( -4.167 0.000 -0.000) 4.167 13.735 ( -0.795 0.000 -0.000) 0.795 13.930 ( 7.224 -0.000 0.000) 7.224 14.077 ( -3.401 0.000 -0.000) 3.401 14.352 ( -0.287 0.000 -0.000) 0.287 14.521 ( 2.269 -0.000 0.000) 2.269 14.721 ( -2.258 0.000 -0.000) 2.258 14.738 ( -11.862 0.000 -0.000) 11.862 14.804 ( -5.767 0.000 -0.000) 5.767 14.869 ( -1.590 0.000 -0.000) 1.590 14.962 ( -13.452 0.000 -0.000) 13.452 15.120 ( 2.565 -0.000 0.000) 2.565 15.270 ( -2.768 0.000 -0.000) 2.768 15.471 ( -2.176 0.000 -0.000) 2.176 15.497 ( -7.505 0.000 -0.000) 7.505 15.647 ( -9.569 0.000 -0.000) 9.569 15.729 ( 0.935 -0.000 0.000) 0.935 15.744 ( 4.363 -0.000 0.000) 4.363 16.197 ( 3.373 -0.000 0.000) 3.373 16.338 ( 2.152 -0.000 0.000) 2.152 16.455 ( -14.691 0.000 -0.000) 14.691 16.604 ( -1.475 0.000 -0.000) 1.475 16.711 ( 2.157 -0.000 0.000) 2.157 16.744 ( 7.547 -0.000 0.000) 7.547 16.975 ( 6.784 -0.000 0.000) 6.784 16.976 ( -2.000 0.000 -0.000) 2.000 17.361 ( 1.331 -0.000 0.000) 1.331 17.450 ( 2.746 -0.000 0.000) 2.746 17.597 ( 0.952 -0.000 0.000) 0.952 17.755 ( 1.871 -0.000 0.000) 1.871 18.440 ( 3.638 -0.000 0.000) 3.638 18.560 ( 23.325 -0.000 0.000) 23.325 19.239 ( 12.737 -0.000 0.000) 12.737 19.649 ( 0.057 -0.000 0.000) 0.057 20.854 ( -8.701 0.000 -0.000) 8.701 ======================= Grid point 136 (69/72) ======================= q-point: ( 0.38 0.38 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -0.000 -0.000 6.415) 6.415 1.522 ( -0.000 -0.000 19.480) 19.480 1.537 ( -0.000 -0.000 2.347) 2.347 1.715 ( -0.000 -0.000 6.829) 6.829 1.967 ( 0.000 0.000 -2.950) 2.950 2.113 ( 0.000 0.000 -5.188) 5.188 2.350 ( -0.000 -0.000 13.297) 13.297 2.511 ( 0.000 0.000 -5.424) 5.424 2.596 ( -0.000 -0.000 24.144) 24.144 2.957 ( 0.000 0.000 -12.183) 12.183 3.186 ( 0.000 0.000 -0.442) 0.442 3.193 ( -0.000 -0.000 3.370) 3.370 3.378 ( 0.000 0.000 -3.146) 3.146 3.488 ( -0.000 -0.000 2.730) 2.730 3.825 ( -0.000 -0.000 0.213) 0.213 4.233 ( 0.000 0.000 -3.517) 3.517 4.703 ( -0.000 -0.000 5.089) 5.089 5.090 ( 0.000 0.000 -13.788) 13.788 5.642 ( 0.000 0.000 -12.135) 12.135 5.967 ( 0.000 0.000 -0.904) 0.904 6.206 ( 0.000 0.000 -4.636) 4.636 6.447 ( -0.000 -0.000 1.442) 1.442 6.455 ( 0.000 0.000 -1.879) 1.879 6.744 ( -0.000 -0.000 0.113) 0.113 6.895 ( -0.000 -0.000 4.539) 4.539 6.911 ( -0.000 -0.000 1.057) 1.057 6.985 ( -0.000 -0.000 2.264) 2.264 7.143 ( 0.000 0.000 -7.745) 7.745 7.159 ( -0.000 -0.000 0.607) 0.607 7.243 ( 0.000 0.000 -2.028) 2.028 7.304 ( 0.000 0.000 -2.465) 2.465 7.981 ( -0.000 -0.000 1.852) 1.852 8.003 ( 0.000 0.000 -1.726) 1.726 8.252 ( 0.000 0.000 -3.629) 3.629 8.290 ( -0.000 -0.000 2.137) 2.137 8.379 ( -0.000 -0.000 5.647) 5.647 8.453 ( -0.000 -0.000 12.418) 12.418 8.762 ( -0.000 -0.000 2.249) 2.249 8.816 ( -0.000 -0.000 4.716) 4.716 8.981 ( 0.000 0.000 -9.449) 9.449 9.198 ( 0.000 0.000 -3.517) 3.517 9.303 ( -0.000 -0.000 3.754) 3.754 9.562 ( 0.000 0.000 -7.606) 7.606 9.852 ( -0.000 -0.000 6.100) 6.100 10.032 ( -0.000 -0.000 1.860) 1.860 10.040 ( 0.000 0.000 -1.606) 1.606 10.320 ( -0.000 -0.000 7.779) 7.779 10.404 ( 0.000 0.000 -2.994) 2.994 10.899 ( -0.000 -0.000 2.204) 2.204 11.038 ( -0.000 -0.000 1.525) 1.525 11.175 ( 0.000 0.000 -3.760) 3.760 11.266 ( 0.000 0.000 -10.303) 10.303 11.279 ( -0.000 -0.000 1.127) 1.127 11.580 ( -0.000 -0.000 4.840) 4.840 11.873 ( 0.000 0.000 -0.702) 0.702 12.215 ( -0.000 -0.000 3.826) 3.826 12.469 ( -0.000 -0.000 2.958) 2.958 12.482 ( 0.000 0.000 -1.981) 1.981 12.728 ( 0.000 0.000 -3.511) 3.511 12.897 ( -0.000 -0.000 1.405) 1.405 12.906 ( 0.000 0.000 -3.915) 3.915 12.909 ( 0.000 0.000 -4.230) 4.230 13.439 ( -0.000 -0.000 3.973) 3.973 13.647 ( -0.000 -0.000 5.287) 5.287 13.764 ( -0.000 -0.000 1.661) 1.661 13.769 ( 0.000 0.000 -1.530) 1.530 13.860 ( 0.000 0.000 -3.580) 3.580 14.177 ( 0.000 0.000 -0.698) 0.698 14.571 ( 0.000 0.000 -1.361) 1.361 14.600 ( 0.000 0.000 -2.069) 2.069 14.697 ( 0.000 0.000 -8.349) 8.349 14.897 ( -0.000 -0.000 2.071) 2.071 14.973 ( -0.000 -0.000 4.773) 4.773 14.994 ( 0.000 0.000 -0.261) 0.261 15.008 ( -0.000 -0.000 1.942) 1.942 15.131 ( 0.000 0.000 -0.556) 0.556 15.221 ( 0.000 0.000 -0.671) 0.671 15.542 ( -0.000 -0.000 1.542) 1.542 15.616 ( 0.000 0.000 -0.920) 0.920 15.749 ( 0.000 0.000 -3.109) 3.109 16.142 ( -0.000 -0.000 3.436) 3.436 16.160 ( 0.000 0.000 -2.080) 2.080 16.323 ( 0.000 0.000 -3.852) 3.852 16.364 ( -0.000 -0.000 2.788) 2.788 16.459 ( 0.000 0.000 -0.755) 0.755 16.604 ( -0.000 -0.000 6.789) 6.789 16.655 ( 0.000 0.000 -0.500) 0.500 16.681 ( 0.000 0.000 -0.602) 0.602 16.781 ( 0.000 0.000 -1.128) 1.128 16.943 ( -0.000 -0.000 5.306) 5.306 17.004 ( 0.000 0.000 -6.875) 6.875 17.297 ( 0.000 0.000 -3.289) 3.289 17.534 ( -0.000 -0.000 2.564) 2.564 17.786 ( -0.000 -0.000 0.504) 0.504 17.975 ( 0.000 0.000 -2.272) 2.272 18.218 ( -0.000 -0.000 4.051) 4.051 18.829 ( 0.000 0.000 -0.825) 0.825 19.716 ( 0.000 0.000 -1.086) 1.086 20.998 ( -0.000 -0.000 6.234) 6.234 ======================= Grid point 150 (70/72) ======================= q-point: (-0.42 -0.58 0.58) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -0.000 -0.898 -0.000) 0.898 1.569 ( 0.000 0.743 0.000) 0.743 1.825 ( 0.000 1.500 0.000) 1.500 1.847 ( 0.000 4.718 0.000) 4.718 1.937 ( 0.000 2.685 0.000) 2.685 2.062 ( 0.000 3.651 0.000) 3.651 2.397 ( -0.000 -4.340 -0.000) 4.340 2.563 ( -0.000 -1.215 -0.000) 1.215 2.650 ( -0.000 -7.710 -0.000) 7.710 2.861 ( -0.000 -0.845 -0.000) 0.845 3.047 ( -0.000 -8.322 -0.000) 8.322 3.261 ( 0.000 2.253 0.000) 2.253 3.326 ( -0.000 -1.507 -0.000) 1.507 3.556 ( 0.000 0.971 0.000) 0.971 4.016 ( 0.000 16.438 0.000) 16.438 4.200 ( 0.000 1.520 0.000) 1.520 4.839 ( 0.000 2.338 0.000) 2.338 4.998 ( 0.000 9.077 0.000) 9.077 5.492 ( -0.000 -1.912 -0.000) 1.912 5.985 ( 0.000 3.641 0.000) 3.641 6.265 ( 0.000 10.110 0.000) 10.110 6.267 ( -0.000 -20.825 -0.000) 20.825 6.472 ( 0.000 0.871 0.000) 0.871 6.649 ( -0.000 -4.541 -0.000) 4.541 6.664 ( -0.000 -6.876 -0.000) 6.876 6.995 ( -0.000 -6.291 -0.000) 6.291 7.061 ( 0.000 3.944 0.000) 3.944 7.078 ( -0.000 -1.211 -0.000) 1.211 7.206 ( -0.000 -0.181 -0.000) 0.181 7.259 ( 0.000 6.606 0.000) 6.606 7.302 ( 0.000 2.107 0.000) 2.107 7.927 ( -0.000 -5.420 -0.000) 5.420 8.130 ( 0.000 9.136 0.000) 9.136 8.210 ( -0.000 -0.352 -0.000) 0.352 8.271 ( -0.000 -4.482 -0.000) 4.482 8.432 ( 0.000 1.121 0.000) 1.121 8.563 ( -0.000 -7.412 -0.000) 7.412 8.642 ( -0.000 -10.670 -0.000) 10.670 8.758 ( -0.000 -6.486 -0.000) 6.486 8.840 ( 0.000 2.443 0.000) 2.443 9.148 ( -0.000 -1.687 -0.000) 1.687 9.409 ( -0.000 -7.135 -0.000) 7.135 9.426 ( 0.000 5.277 0.000) 5.277 9.932 ( 0.000 0.029 0.000) 0.029 10.042 ( -0.000 -0.086 -0.000) 0.086 10.118 ( 0.000 6.965 0.000) 6.965 10.252 ( -0.000 -9.587 -0.000) 9.587 10.515 ( 0.000 9.791 0.000) 9.791 10.913 ( -0.000 -4.028 -0.000) 4.028 11.033 ( -0.000 -0.143 -0.000) 0.143 11.193 ( 0.000 3.581 0.000) 3.581 11.251 ( 0.000 11.399 0.000) 11.399 11.277 ( -0.000 -1.212 -0.000) 1.212 11.688 ( 0.000 4.710 0.000) 4.710 11.839 ( -0.000 -2.682 -0.000) 2.682 12.240 ( -0.000 -1.866 -0.000) 1.866 12.465 ( -0.000 -2.992 -0.000) 2.992 12.499 ( 0.000 2.778 0.000) 2.778 12.723 ( 0.000 3.215 0.000) 3.215 12.852 ( -0.000 -0.061 -0.000) 0.061 12.861 ( -0.000 -0.331 -0.000) 0.331 12.925 ( 0.000 1.333 0.000) 1.333 13.391 ( -0.000 -7.044 -0.000) 7.044 13.675 ( -0.000 -2.299 -0.000) 2.299 13.730 ( -0.000 -4.063 -0.000) 4.063 13.785 ( 0.000 0.248 0.000) 0.248 13.922 ( 0.000 11.425 0.000) 11.425 14.269 ( 0.000 4.869 0.000) 4.869 14.504 ( -0.000 -3.128 -0.000) 3.128 14.543 ( -0.000 -6.224 -0.000) 6.224 14.584 ( 0.000 0.494 0.000) 0.494 14.952 ( -0.000 -4.647 -0.000) 4.647 14.959 ( 0.000 2.100 0.000) 2.100 15.012 ( -0.000 -0.325 -0.000) 0.325 15.016 ( -0.000 -1.099 -0.000) 1.099 15.130 ( 0.000 0.464 0.000) 0.464 15.215 ( 0.000 0.050 0.000) 0.050 15.490 ( -0.000 -5.392 -0.000) 5.392 15.568 ( 0.000 0.477 0.000) 0.477 15.715 ( 0.000 0.457 0.000) 0.457 16.082 ( -0.000 -6.300 -0.000) 6.300 16.157 ( -0.000 -3.993 -0.000) 3.993 16.167 ( -0.000 -1.427 -0.000) 1.427 16.484 ( 0.000 4.670 0.000) 4.670 16.488 ( 0.000 3.389 0.000) 3.389 16.634 ( -0.000 -1.589 -0.000) 1.589 16.687 ( -0.000 -1.877 -0.000) 1.877 16.690 ( 0.000 1.700 0.000) 1.700 16.756 ( 0.000 0.069 0.000) 0.069 16.934 ( 0.000 0.372 0.000) 0.372 17.198 ( 0.000 0.034 0.000) 0.034 17.283 ( 0.000 17.079 0.000) 17.079 17.655 ( 0.000 2.246 0.000) 2.246 17.848 ( 0.000 3.944 0.000) 3.944 18.069 ( 0.000 16.825 0.000) 16.825 18.224 ( -0.000 -3.214 -0.000) 3.214 18.767 ( -0.000 -4.608 -0.000) 4.608 19.628 ( -0.000 -6.755 -0.000) 6.755 20.963 ( -0.000 -9.088 -0.000) 9.088 ======================= Grid point 154 (71/72) ======================= q-point: ( 0.43 0.57 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -0.944 0.000 -0.000) 0.944 1.621 ( 7.535 -0.000 0.000) 7.535 1.781 ( -0.700 0.000 -0.000) 0.700 1.835 ( 2.766 -0.000 0.000) 2.766 1.966 ( 8.965 -0.000 0.000) 8.965 2.038 ( -1.325 0.000 -0.000) 1.325 2.453 ( 0.455 -0.000 0.000) 0.455 2.611 ( 2.472 -0.000 0.000) 2.472 2.732 ( 0.546 -0.000 0.000) 0.546 2.916 ( 3.055 -0.000 0.000) 3.055 3.127 ( -2.437 0.000 -0.000) 2.437 3.142 ( -8.519 0.000 -0.000) 8.519 3.312 ( -0.554 0.000 -0.000) 0.554 3.600 ( 4.006 -0.000 0.000) 4.006 3.849 ( 2.215 -0.000 0.000) 2.215 4.198 ( 1.225 -0.000 0.000) 1.225 4.821 ( 2.436 -0.000 0.000) 2.436 4.869 ( -3.914 0.000 -0.000) 3.914 5.565 ( 4.852 -0.000 0.000) 4.852 5.990 ( 3.602 -0.000 0.000) 3.602 6.094 ( -6.156 0.000 -0.000) 6.156 6.246 ( -9.981 0.000 -0.000) 9.981 6.476 ( -15.981 0.000 -0.000) 15.981 6.519 ( 0.069 -0.000 0.000) 0.069 6.956 ( -2.352 0.000 -0.000) 2.352 6.986 ( -1.742 0.000 -0.000) 1.742 7.034 ( -1.460 0.000 -0.000) 1.460 7.077 ( 11.111 -0.000 0.000) 11.111 7.270 ( 4.958 -0.000 0.000) 4.958 7.433 ( 14.322 -0.000 0.000) 14.322 7.498 ( 24.580 -0.000 0.000) 24.580 7.793 ( -10.411 0.000 -0.000) 10.411 8.023 ( -3.314 0.000 -0.000) 3.314 8.176 ( -2.890 0.000 -0.000) 2.890 8.357 ( 3.514 -0.000 0.000) 3.514 8.512 ( -13.771 0.000 -0.000) 13.771 8.521 ( 12.608 -0.000 0.000) 12.608 8.719 ( -9.417 0.000 -0.000) 9.417 8.921 ( 4.567 -0.000 0.000) 4.567 8.996 ( 16.300 -0.000 0.000) 16.300 9.308 ( 14.473 -0.000 0.000) 14.473 9.421 ( 8.710 -0.000 0.000) 8.710 9.547 ( 4.092 -0.000 0.000) 4.092 9.598 ( -28.472 0.000 -0.000) 28.472 9.857 ( -6.955 0.000 -0.000) 6.955 10.058 ( -5.996 0.000 -0.000) 5.996 10.348 ( -2.684 0.000 -0.000) 2.684 10.356 ( -5.555 0.000 -0.000) 5.555 10.641 ( -22.893 0.000 -0.000) 22.893 10.962 ( -9.587 0.000 -0.000) 9.587 11.164 ( 0.008 -0.000 0.000) 0.008 11.217 ( -7.060 0.000 -0.000) 7.060 11.351 ( 15.070 -0.000 0.000) 15.070 11.699 ( 6.828 -0.000 0.000) 6.828 11.999 ( 10.013 -0.000 0.000) 10.013 12.236 ( -15.083 0.000 -0.000) 15.083 12.263 ( -0.039 0.000 -0.000) 0.039 12.430 ( -6.024 0.000 -0.000) 6.024 12.430 ( -23.736 0.000 -0.000) 23.736 12.686 ( 0.329 -0.000 0.000) 0.329 13.122 ( 14.110 -0.000 0.000) 14.110 13.202 ( 14.944 -0.000 0.000) 14.944 13.462 ( -0.853 0.000 -0.000) 0.853 13.732 ( -6.328 0.000 -0.000) 6.328 13.744 ( 0.070 -0.000 0.000) 0.070 13.755 ( -2.555 0.000 -0.000) 2.555 13.809 ( 5.076 -0.000 0.000) 5.076 14.143 ( -2.823 0.000 -0.000) 2.823 14.431 ( -7.488 0.000 -0.000) 7.488 14.521 ( -1.551 0.000 -0.000) 1.551 14.715 ( 3.134 -0.000 0.000) 3.134 14.900 ( -1.581 0.000 -0.000) 1.581 14.924 ( -6.631 0.000 -0.000) 6.631 14.929 ( -7.090 0.000 -0.000) 7.090 15.063 ( 2.884 -0.000 0.000) 2.884 15.177 ( -6.188 0.000 -0.000) 6.188 15.187 ( 5.665 -0.000 0.000) 5.665 15.518 ( -2.669 0.000 -0.000) 2.669 15.662 ( 3.866 -0.000 0.000) 3.866 15.716 ( 0.426 -0.000 0.000) 0.426 15.850 ( -21.895 0.000 -0.000) 21.895 15.953 ( -23.531 0.000 -0.000) 23.531 16.150 ( 1.456 -0.000 0.000) 1.456 16.301 ( 1.448 -0.000 0.000) 1.448 16.554 ( 9.790 -0.000 0.000) 9.790 16.629 ( -1.400 0.000 -0.000) 1.400 16.669 ( 1.810 -0.000 0.000) 1.810 16.774 ( -13.352 0.000 -0.000) 13.352 16.844 ( 6.001 -0.000 0.000) 6.001 16.996 ( -0.248 0.000 -0.000) 0.248 17.249 ( 21.217 -0.000 0.000) 21.217 17.299 ( 4.731 -0.000 0.000) 4.731 17.573 ( 1.181 -0.000 0.000) 1.181 17.762 ( -3.200 0.000 -0.000) 3.200 18.091 ( 18.697 -0.000 0.000) 18.697 18.343 ( 5.853 -0.000 0.000) 5.853 18.970 ( 13.169 -0.000 0.000) 13.169 19.680 ( -2.097 0.000 -0.000) 2.097 21.003 ( -5.840 0.000 -0.000) 5.840 ======================= Grid point 182 (72/72) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.10e-04 1.10e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 0.000 0.000 -0.000) 0.000 1.561 ( 0.000 -0.000 -0.000) 0.000 1.789 ( 0.000 0.000 -0.000) 0.000 1.806 ( 0.000 0.000 -0.000) 0.000 1.873 ( 0.000 -0.000 0.000) 0.000 2.050 ( 0.000 -0.000 -0.000) 0.000 2.448 ( 0.000 -0.000 -0.000) 0.000 2.594 ( 0.000 0.000 -0.000) 0.000 2.729 ( 0.000 0.000 0.000) 0.000 2.869 ( 0.000 -0.000 0.000) 0.000 3.147 ( 0.000 -0.000 -0.000) 0.000 3.227 ( 0.000 0.000 -0.000) 0.000 3.346 ( 0.000 0.000 -0.000) 0.000 3.543 ( 0.000 -0.000 -0.000) 0.000 3.828 ( 0.000 -0.000 -0.000) 0.000 4.184 ( 0.000 -0.000 -0.000) 0.000 4.797 ( 0.000 0.000 0.000) 0.000 4.906 ( 0.000 0.000 -0.000) 0.000 5.514 ( 0.000 -0.000 -0.000) 0.000 5.954 ( 0.000 0.000 -0.000) 0.000 6.157 ( 0.000 0.000 -0.000) 0.000 6.436 ( -0.000 0.000 -0.000) 0.000 6.463 ( -0.000 -0.000 -0.000) 0.000 6.744 ( 0.000 -0.000 -0.000) 0.000 6.922 ( -0.000 -0.000 -0.000) 0.000 6.934 ( 0.000 0.000 -0.000) 0.000 7.014 ( -0.000 0.000 -0.000) 0.000 7.063 ( 0.000 -0.000 -0.000) 0.000 7.189 ( 0.000 0.000 -0.000) 0.000 7.208 ( 0.000 -0.000 0.000) 0.000 7.279 ( 0.000 0.000 -0.000) 0.000 7.983 ( 0.000 0.000 -0.000) 0.000 8.000 ( -0.000 0.000 -0.000) 0.000 8.216 ( 0.000 0.000 -0.000) 0.000 8.313 ( 0.000 -0.000 -0.000) 0.000 8.412 ( 0.000 0.000 -0.000) 0.000 8.670 ( 0.000 0.000 -0.000) 0.000 8.787 ( -0.000 0.000 -0.000) 0.000 8.819 ( 0.000 0.000 -0.000) 0.000 8.872 ( 0.000 -0.000 -0.000) 0.000 9.156 ( 0.000 -0.000 -0.000) 0.000 9.343 ( 0.000 0.000 -0.000) 0.000 9.485 ( 0.000 -0.000 -0.000) 0.000 9.932 ( -0.000 0.000 -0.000) 0.000 10.021 ( 0.000 0.000 -0.000) 0.000 10.029 ( -0.000 0.000 0.000) 0.000 10.372 ( 0.000 0.000 -0.000) 0.000 10.418 ( 0.000 -0.000 -0.000) 0.000 10.900 ( 0.000 0.000 -0.000) 0.000 11.049 ( 0.000 0.000 -0.000) 0.000 11.141 ( 0.000 0.000 -0.000) 0.000 11.165 ( -0.000 -0.000 -0.000) 0.000 11.289 ( 0.000 0.000 -0.000) 0.000 11.636 ( -0.000 -0.000 -0.000) 0.000 11.867 ( -0.000 0.000 -0.000) 0.000 12.263 ( 0.000 -0.000 -0.000) 0.000 12.462 ( 0.000 -0.000 -0.000) 0.000 12.498 ( -0.000 0.000 -0.000) 0.000 12.683 ( 0.000 0.000 -0.000) 0.000 12.863 ( -0.000 0.000 -0.000) 0.000 12.864 ( 0.000 -0.000 -0.000) 0.000 12.911 ( 0.000 -0.000 -0.000) 0.000 13.469 ( 0.000 0.000 -0.000) 0.000 13.740 ( 0.000 -0.000 -0.000) 0.000 13.753 ( 0.000 0.000 -0.000) 0.000 13.781 ( 0.000 -0.000 -0.000) 0.000 13.803 ( 0.000 0.000 -0.000) 0.000 14.173 ( 0.000 0.000 -0.000) 0.000 14.543 ( 0.000 0.000 -0.000) 0.000 14.579 ( 0.000 -0.000 -0.000) 0.000 14.618 ( 0.000 0.000 -0.000) 0.000 14.921 ( 0.000 -0.000 -0.000) 0.000 14.989 ( 0.000 0.000 -0.000) 0.000 15.026 ( 0.000 -0.000 -0.000) 0.000 15.028 ( 0.000 -0.000 -0.000) 0.000 15.126 ( 0.000 -0.000 -0.000) 0.000 15.213 ( -0.000 -0.000 -0.000) 0.000 15.562 ( 0.000 -0.000 -0.000) 0.000 15.607 ( 0.000 0.000 -0.000) 0.000 15.712 ( 0.000 -0.000 -0.000) 0.000 16.136 ( 0.000 0.000 -0.000) 0.000 16.183 ( 0.000 -0.000 -0.000) 0.000 16.286 ( 0.000 -0.000 -0.000) 0.000 16.354 ( 0.000 0.000 -0.000) 0.000 16.444 ( -0.000 0.000 -0.000) 0.000 16.650 ( 0.000 -0.000 -0.000) 0.000 16.679 ( 0.000 -0.000 -0.000) 0.000 16.729 ( 0.000 -0.000 -0.000) 0.000 16.772 ( 0.000 0.000 -0.000) 0.000 16.931 ( -0.000 -0.000 -0.000) 0.000 16.996 ( 0.000 0.000 -0.000) 0.000 17.230 ( 0.000 -0.000 -0.000) 0.000 17.560 ( 0.000 0.000 -0.000) 0.000 17.829 ( 0.000 0.000 0.000) 0.000 17.924 ( 0.000 0.000 -0.000) 0.000 18.258 ( 0.000 -0.000 -0.000) 0.000 18.819 ( 0.000 -0.000 -0.000) 0.000 19.704 ( 0.000 0.000 -0.000) 0.000 21.063 ( 0.000 0.000 -0.000) 0.000 =================== 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 3/33264 10.0 759.063 472.683 694.642 -0.000 -0.000 0.000 3/33264 20.0 111.172 79.416 112.394 -0.000 -0.000 0.000 3/33264 30.0 47.439 35.433 48.887 -0.000 -0.000 0.000 3/33264 40.0 29.000 21.864 29.644 -0.000 -0.000 0.000 3/33264 50.0 20.145 15.163 20.272 -0.000 -0.000 0.000 3/33264 60.0 14.988 11.208 14.797 -0.000 -0.000 0.000 3/33264 70.0 11.700 8.680 11.332 -0.000 -0.000 0.000 3/33264 80.0 9.480 6.976 9.020 -0.000 -0.000 0.000 3/33264 90.0 7.910 5.777 7.406 -0.000 -0.000 0.000 3/33264 100.0 6.758 4.900 6.236 -0.000 -0.000 0.000 3/33264 110.0 5.884 4.237 5.359 -0.000 -0.000 0.000 3/33264 120.0 5.203 3.723 4.683 -0.000 -0.000 0.000 3/33264 130.0 4.660 3.315 4.149 -0.000 -0.000 0.000 3/33264 140.0 4.218 2.985 3.719 -0.000 -0.000 0.000 3/33264 150.0 3.852 2.713 3.367 -0.000 -0.000 0.000 3/33264 160.0 3.545 2.486 3.073 -0.000 -0.000 0.000 3/33264 170.0 3.284 2.294 2.826 -0.000 -0.000 0.000 3/33264 180.0 3.059 2.129 2.615 -0.000 -0.000 0.000 3/33264 190.0 2.864 1.987 2.433 -0.000 -0.000 0.000 3/33264 200.0 2.693 1.863 2.275 -0.000 -0.000 0.000 3/33264 210.0 2.542 1.754 2.136 -0.000 -0.000 0.000 3/33264 220.0 2.407 1.658 2.013 -0.000 -0.000 0.000 3/33264 230.0 2.287 1.572 1.904 -0.000 -0.000 0.000 3/33264 240.0 2.178 1.495 1.806 -0.000 -0.000 0.000 3/33264 250.0 2.080 1.425 1.719 -0.000 -0.000 0.000 3/33264 260.0 1.991 1.362 1.639 -0.000 -0.000 0.000 3/33264 270.0 1.909 1.305 1.567 -0.000 -0.000 0.000 3/33264 280.0 1.834 1.252 1.501 -0.000 -0.000 0.000 3/33264 290.0 1.765 1.204 1.440 -0.000 -0.000 0.000 3/33264 300.0 1.701 1.159 1.385 -0.000 -0.000 0.000 3/33264 310.0 1.642 1.118 1.333 -0.000 -0.000 0.000 3/33264 320.0 1.586 1.080 1.286 -0.000 -0.000 0.000 3/33264 330.0 1.535 1.044 1.241 -0.000 -0.000 0.000 3/33264 340.0 1.487 1.011 1.200 -0.000 -0.000 0.000 3/33264 350.0 1.442 0.980 1.162 -0.000 -0.000 0.000 3/33264 360.0 1.400 0.950 1.126 -0.000 -0.000 0.000 3/33264 370.0 1.360 0.923 1.092 -0.000 -0.000 0.000 3/33264 380.0 1.322 0.897 1.060 -0.000 -0.000 0.000 3/33264 390.0 1.287 0.873 1.031 -0.000 -0.000 0.000 3/33264 400.0 1.253 0.850 1.002 -0.000 -0.000 0.000 3/33264 410.0 1.221 0.828 0.976 -0.000 -0.000 0.000 3/33264 420.0 1.191 0.807 0.951 -0.000 -0.000 0.000 3/33264 430.0 1.162 0.788 0.927 -0.000 -0.000 0.000 3/33264 440.0 1.135 0.769 0.904 -0.000 -0.000 0.000 3/33264 450.0 1.109 0.751 0.882 -0.000 -0.000 0.000 3/33264 460.0 1.084 0.734 0.862 -0.000 -0.000 0.000 3/33264 470.0 1.060 0.718 0.842 -0.000 -0.000 0.000 3/33264 480.0 1.038 0.703 0.824 -0.000 -0.000 0.000 3/33264 490.0 1.016 0.688 0.806 -0.000 -0.000 0.000 3/33264 500.0 0.995 0.674 0.789 -0.000 -0.000 0.000 3/33264 510.0 0.975 0.660 0.772 -0.000 -0.000 0.000 3/33264 520.0 0.956 0.647 0.757 -0.000 -0.000 0.000 3/33264 530.0 0.937 0.634 0.742 -0.000 -0.000 0.000 3/33264 540.0 0.920 0.622 0.727 -0.000 -0.000 0.000 3/33264 550.0 0.903 0.611 0.713 -0.000 -0.000 0.000 3/33264 560.0 0.886 0.600 0.700 -0.000 -0.000 0.000 3/33264 570.0 0.870 0.589 0.687 -0.000 -0.000 0.000 3/33264 580.0 0.855 0.578 0.675 -0.000 -0.000 0.000 3/33264 590.0 0.840 0.568 0.663 -0.000 -0.000 0.000 3/33264 600.0 0.826 0.559 0.651 -0.000 -0.000 0.000 3/33264 610.0 0.813 0.549 0.640 -0.000 -0.000 0.000 3/33264 620.0 0.799 0.540 0.629 -0.000 -0.000 0.000 3/33264 630.0 0.786 0.532 0.619 -0.000 -0.000 0.000 3/33264 640.0 0.774 0.523 0.609 -0.000 -0.000 0.000 3/33264 650.0 0.762 0.515 0.599 -0.000 -0.000 0.000 3/33264 660.0 0.750 0.507 0.590 -0.000 -0.000 0.000 3/33264 670.0 0.739 0.500 0.581 -0.000 -0.000 0.000 3/33264 680.0 0.728 0.492 0.572 -0.000 -0.000 0.000 3/33264 690.0 0.717 0.485 0.563 -0.000 -0.000 0.000 3/33264 700.0 0.707 0.478 0.555 -0.000 -0.000 0.000 3/33264 710.0 0.697 0.471 0.547 -0.000 -0.000 0.000 3/33264 720.0 0.687 0.464 0.539 -0.000 -0.000 0.000 3/33264 730.0 0.678 0.458 0.532 -0.000 -0.000 0.000 3/33264 740.0 0.668 0.452 0.524 -0.000 -0.000 0.000 3/33264 750.0 0.659 0.446 0.517 -0.000 -0.000 0.000 3/33264 760.0 0.651 0.440 0.510 -0.000 -0.000 0.000 3/33264 770.0 0.642 0.434 0.503 -0.000 -0.000 0.000 3/33264 780.0 0.634 0.428 0.497 -0.000 -0.000 0.000 3/33264 790.0 0.626 0.423 0.490 -0.000 -0.000 0.000 3/33264 800.0 0.618 0.418 0.484 -0.000 -0.000 0.000 3/33264 810.0 0.610 0.412 0.478 -0.000 -0.000 0.000 3/33264 820.0 0.603 0.407 0.472 -0.000 -0.000 0.000 3/33264 830.0 0.595 0.402 0.466 -0.000 -0.000 0.000 3/33264 840.0 0.588 0.398 0.461 -0.000 -0.000 0.000 3/33264 850.0 0.581 0.393 0.455 -0.000 -0.000 0.000 3/33264 860.0 0.574 0.388 0.450 -0.000 -0.000 0.000 3/33264 870.0 0.568 0.384 0.444 -0.000 -0.000 0.000 3/33264 880.0 0.561 0.379 0.439 -0.000 -0.000 0.000 3/33264 890.0 0.555 0.375 0.434 -0.000 -0.000 0.000 3/33264 900.0 0.549 0.371 0.429 -0.000 -0.000 0.000 3/33264 910.0 0.543 0.367 0.425 -0.000 -0.000 0.000 3/33264 920.0 0.537 0.363 0.420 -0.000 -0.000 0.000 3/33264 930.0 0.531 0.359 0.415 -0.000 -0.000 0.000 3/33264 940.0 0.525 0.355 0.411 -0.000 -0.000 0.000 3/33264 950.0 0.520 0.351 0.406 -0.000 -0.000 0.000 3/33264 960.0 0.514 0.348 0.402 -0.000 -0.000 0.000 3/33264 970.0 0.509 0.344 0.398 -0.000 -0.000 0.000 3/33264 980.0 0.504 0.340 0.394 -0.000 -0.000 0.000 3/33264 990.0 0.499 0.337 0.390 -0.000 -0.000 0.000 3/33264 1000.0 0.494 0.334 0.386 -0.000 -0.000 0.000 3/33264 Thermal conductivity related properties were written into "kappa-m12168.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:46:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|