----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:03:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.186769640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.287060599999997 0.000000000000000 c 0.000000000000000 0.000000000000000 8.828563589999998 Atomic positions (fractional): *1 O 0.89136012837438 0.05298018357085 0.80736624247123 15.999 2 O 0.39136012837438 0.44701981642915 0.19263375752877 15.999 3 O 0.60863987162562 0.94701981642915 0.30736624247123 15.999 4 O 0.10863987162562 0.55298018357085 0.69263375752877 15.999 5 O 0.10863987162562 0.94701981642915 0.19263375752877 15.999 6 O 0.60863987162562 0.55298018357085 0.80736624247123 15.999 7 O 0.39136012837438 0.05298018357085 0.69263375752877 15.999 8 O 0.89136012837438 0.44701981642915 0.30736624247123 15.999 *9 O 0.81323390462600 0.06749260376331 0.51693648814028 15.999 10 O 0.31323390462600 0.43250739623669 0.48306351185972 15.999 11 O 0.68676609537400 0.93250739623669 0.01693648814028 15.999 12 O 0.18676609537400 0.56749260376331 0.98306351185972 15.999 13 O 0.18676609537400 0.93250739623669 0.48306351185972 15.999 14 O 0.68676609537400 0.56749260376331 0.51693648814028 15.999 15 O 0.31323390462600 0.06749260376331 0.98306351185972 15.999 16 O 0.81323390462600 0.43250739623669 0.01693648814028 15.999 *17 O 0.69693848467094 0.93755341398980 0.66010990141972 15.999 18 O 0.19693848467094 0.56244658601020 0.33989009858028 15.999 19 O 0.80306151532906 0.06244658601020 0.16010990141972 15.999 *20 O 0.46121860143985 0.18896429543850 0.49615904351021 15.999 21 O 0.30306151532906 0.43755341398980 0.83989009858028 15.999 22 O 0.80306151532906 0.43755341398980 0.66010990141972 15.999 23 O 0.19693848467094 0.93755341398980 0.83989009858028 15.999 24 O 0.69693848467094 0.56244658601020 0.16010990141972 15.999 *25 O 0.66998010059883 0.19672079934799 0.77914879598810 15.999 26 O 0.16998010059883 0.30327920065201 0.22085120401190 15.999 27 O 0.83001989940117 0.80327920065201 0.27914879598810 15.999 28 O 0.33001989940117 0.69672079934799 0.72085120401190 15.999 29 O 0.33001989940117 0.80327920065201 0.22085120401190 15.999 30 O 0.83001989940117 0.69672079934799 0.77914879598810 15.999 31 O 0.16998010059883 0.19672079934799 0.72085120401190 15.999 32 O 0.66998010059883 0.30327920065201 0.27914879598810 15.999 *33 O 0.47100339494687 0.18274615664903 0.15946963348096 15.999 34 O 0.97100339494687 0.31725384335097 0.84053036651904 15.999 35 O 0.02899660505313 0.81725384335097 0.65946963348096 15.999 36 O 0.52899660505313 0.68274615664903 0.34053036651904 15.999 37 O 0.52899660505313 0.81725384335097 0.84053036651904 15.999 38 O 0.02899660505313 0.68274615664903 0.15946963348096 15.999 39 O 0.97100339494687 0.18274615664903 0.34053036651904 15.999 40 O 0.47100339494687 0.31725384335097 0.65946963348096 15.999 41 O 0.46121860143985 0.31103570456150 0.99615904351021 15.999 42 O 0.96121860143986 0.18896429543850 0.00384095648980 15.999 43 O 0.03878139856014 0.68896429543850 0.49615904351021 15.999 44 O 0.53878139856014 0.81103570456150 0.50384095648979 15.999 45 O 0.53878139856014 0.68896429543850 0.00384095648980 15.999 46 O 0.03878139856014 0.81103570456150 0.99615904351021 15.999 47 O 0.96121860143986 0.31103570456150 0.50384095648979 15.999 48 O 0.30306151532906 0.06244658601020 0.33989009858028 15.999 *49 Mg 0.63828974572195 0.37603863533988 0.84505526937651 24.305 50 Mg 0.13828974572195 0.12396136466013 0.15494473062349 24.305 51 Mg 0.86171025427805 0.62396136466013 0.34505526937651 24.305 52 Mg 0.36171025427805 0.87603863533987 0.65494473062349 24.305 53 Mg 0.36171025427805 0.62396136466013 0.15494473062349 24.305 54 Mg 0.86171025427805 0.87603863533987 0.84505526937651 24.305 55 Mg 0.13828974572195 0.37603863533988 0.65494473062349 24.305 56 Mg 0.63828974572195 0.12396136466013 0.34505526937651 24.305 *57 Mg 0.14566348429611 0.37702764106894 0.01429926967764 24.305 58 Mg 0.64566348429611 0.12297235893106 0.98570073032236 24.305 59 Mg 0.35433651570389 0.62297235893106 0.51429926967764 24.305 60 Mg 0.85433651570389 0.87702764106894 0.48570073032236 24.305 61 Mg 0.85433651570389 0.62297235893106 0.98570073032236 24.305 62 Mg 0.35433651570389 0.87702764106894 0.01429926967764 24.305 63 Mg 0.64566348429611 0.37702764106894 0.48570073032236 24.305 64 Mg 0.14566348429611 0.12297235893106 0.51429926967764 24.305 *65 Si 0.45352886549585 0.27134964441236 0.15766220844707 28.085 66 Si 0.95352886549585 0.22865035558763 0.84233779155293 28.085 67 Si 0.04647113450415 0.72865035558764 0.65766220844707 28.085 68 Si 0.54647113450415 0.77134964441236 0.34233779155293 28.085 69 Si 0.54647113450415 0.72865035558764 0.84233779155293 28.085 70 Si 0.04647113450415 0.77134964441236 0.15766220844707 28.085 71 Si 0.95352886549585 0.27134964441236 0.34233779155293 28.085 72 Si 0.45352886549585 0.22865035558763 0.65766220844707 28.085 *73 Si 0.69912469399863 0.47331911762586 0.16249897498310 28.085 74 Si 0.19912469399863 0.02668088237414 0.83750102501690 28.085 75 Si 0.80087530600137 0.52668088237414 0.66249897498310 28.085 76 Si 0.30087530600137 0.97331911762586 0.33750102501690 28.085 77 Si 0.30087530600137 0.52668088237414 0.83750102501690 28.085 78 Si 0.80087530600137 0.97331911762586 0.16249897498310 28.085 79 Si 0.19912469399863 0.47331911762586 0.33750102501690 28.085 80 Si 0.69912469399863 0.02668088237414 0.66249897498310 28.085 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.186769640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.287060599999997 0.000000000000000 c 0.000000000000000 0.000000000000000 8.828563589999998 Atomic positions (fractional): *1 O 0.89136012837438 0.05298018357085 0.80736624247123 15.999 > 1 2 O 0.39136012837438 0.44701981642915 0.19263375752877 15.999 > 2 3 O 0.60863987162562 0.94701981642915 0.30736624247123 15.999 > 3 4 O 0.10863987162562 0.55298018357085 0.69263375752877 15.999 > 4 5 O 0.10863987162562 0.94701981642915 0.19263375752877 15.999 > 5 6 O 0.60863987162562 0.55298018357085 0.80736624247123 15.999 > 6 7 O 0.39136012837438 0.05298018357085 0.69263375752877 15.999 > 7 8 O 0.89136012837438 0.44701981642915 0.30736624247123 15.999 > 8 *9 O 0.81323390462600 0.06749260376331 0.51693648814028 15.999 > 9 10 O 0.31323390462600 0.43250739623669 0.48306351185972 15.999 > 10 11 O 0.68676609537400 0.93250739623669 0.01693648814028 15.999 > 11 12 O 0.18676609537400 0.56749260376331 0.98306351185972 15.999 > 12 13 O 0.18676609537400 0.93250739623669 0.48306351185972 15.999 > 13 14 O 0.68676609537400 0.56749260376331 0.51693648814028 15.999 > 14 15 O 0.31323390462600 0.06749260376331 0.98306351185972 15.999 > 15 16 O 0.81323390462600 0.43250739623669 0.01693648814028 15.999 > 16 *17 O 0.69693848467094 0.93755341398980 0.66010990141972 15.999 > 17 18 O 0.19693848467094 0.56244658601020 0.33989009858028 15.999 > 18 19 O 0.80306151532906 0.06244658601020 0.16010990141972 15.999 > 19 *20 O 0.46121860143985 0.18896429543850 0.49615904351021 15.999 > 20 21 O 0.30306151532906 0.43755341398980 0.83989009858028 15.999 > 21 22 O 0.80306151532906 0.43755341398980 0.66010990141972 15.999 > 22 23 O 0.19693848467094 0.93755341398980 0.83989009858028 15.999 > 23 24 O 0.69693848467094 0.56244658601020 0.16010990141972 15.999 > 24 *25 O 0.66998010059883 0.19672079934799 0.77914879598810 15.999 > 25 26 O 0.16998010059883 0.30327920065201 0.22085120401190 15.999 > 26 27 O 0.83001989940117 0.80327920065201 0.27914879598810 15.999 > 27 28 O 0.33001989940117 0.69672079934799 0.72085120401190 15.999 > 28 29 O 0.33001989940117 0.80327920065201 0.22085120401190 15.999 > 29 30 O 0.83001989940117 0.69672079934799 0.77914879598810 15.999 > 30 31 O 0.16998010059883 0.19672079934799 0.72085120401190 15.999 > 31 32 O 0.66998010059883 0.30327920065201 0.27914879598810 15.999 > 32 *33 O 0.47100339494687 0.18274615664903 0.15946963348096 15.999 > 33 34 O 0.97100339494687 0.31725384335097 0.84053036651904 15.999 > 34 35 O 0.02899660505313 0.81725384335097 0.65946963348096 15.999 > 35 36 O 0.52899660505313 0.68274615664903 0.34053036651904 15.999 > 36 37 O 0.52899660505313 0.81725384335097 0.84053036651904 15.999 > 37 38 O 0.02899660505313 0.68274615664903 0.15946963348096 15.999 > 38 39 O 0.97100339494687 0.18274615664903 0.34053036651904 15.999 > 39 40 O 0.47100339494687 0.31725384335097 0.65946963348096 15.999 > 40 41 O 0.46121860143985 0.31103570456150 0.99615904351021 15.999 > 41 42 O 0.96121860143986 0.18896429543850 0.00384095648980 15.999 > 42 43 O 0.03878139856014 0.68896429543850 0.49615904351021 15.999 > 43 44 O 0.53878139856014 0.81103570456150 0.50384095648979 15.999 > 44 45 O 0.53878139856014 0.68896429543850 0.00384095648980 15.999 > 45 46 O 0.03878139856014 0.81103570456150 0.99615904351021 15.999 > 46 47 O 0.96121860143986 0.31103570456150 0.50384095648979 15.999 > 47 48 O 0.30306151532906 0.06244658601020 0.33989009858028 15.999 > 48 *49 Mg 0.63828974572195 0.37603863533988 0.84505526937651 24.305 > 49 50 Mg 0.13828974572195 0.12396136466013 0.15494473062349 24.305 > 50 51 Mg 0.86171025427805 0.62396136466013 0.34505526937651 24.305 > 51 52 Mg 0.36171025427805 0.87603863533987 0.65494473062349 24.305 > 52 53 Mg 0.36171025427805 0.62396136466013 0.15494473062349 24.305 > 53 54 Mg 0.86171025427805 0.87603863533987 0.84505526937651 24.305 > 54 55 Mg 0.13828974572195 0.37603863533988 0.65494473062349 24.305 > 55 56 Mg 0.63828974572195 0.12396136466013 0.34505526937651 24.305 > 56 *57 Mg 0.14566348429611 0.37702764106894 0.01429926967764 24.305 > 57 58 Mg 0.64566348429611 0.12297235893106 0.98570073032236 24.305 > 58 59 Mg 0.35433651570389 0.62297235893106 0.51429926967764 24.305 > 59 60 Mg 0.85433651570389 0.87702764106894 0.48570073032236 24.305 > 60 61 Mg 0.85433651570389 0.62297235893106 0.98570073032236 24.305 > 61 62 Mg 0.35433651570389 0.87702764106894 0.01429926967764 24.305 > 62 63 Mg 0.64566348429611 0.37702764106894 0.48570073032236 24.305 > 63 64 Mg 0.14566348429611 0.12297235893106 0.51429926967764 24.305 > 64 *65 Si 0.45352886549585 0.27134964441236 0.15766220844707 28.085 > 65 66 Si 0.95352886549585 0.22865035558763 0.84233779155293 28.085 > 66 67 Si 0.04647113450415 0.72865035558764 0.65766220844707 28.085 > 67 68 Si 0.54647113450415 0.77134964441236 0.34233779155293 28.085 > 68 69 Si 0.54647113450415 0.72865035558764 0.84233779155293 28.085 > 69 70 Si 0.04647113450415 0.77134964441236 0.15766220844707 28.085 > 70 71 Si 0.95352886549585 0.27134964441236 0.34233779155293 28.085 > 71 72 Si 0.45352886549585 0.22865035558763 0.65766220844707 28.085 > 72 *73 Si 0.69912469399863 0.47331911762586 0.16249897498310 28.085 > 73 74 Si 0.19912469399863 0.02668088237414 0.83750102501690 28.085 > 74 75 Si 0.80087530600137 0.52668088237414 0.66249897498310 28.085 > 75 76 Si 0.30087530600137 0.97331911762586 0.33750102501690 28.085 > 76 77 Si 0.30087530600137 0.52668088237414 0.83750102501690 28.085 > 77 78 Si 0.80087530600137 0.97331911762586 0.16249897498310 28.085 > 78 79 Si 0.19912469399863 0.47331911762586 0.33750102501690 28.085 > 79 80 Si 0.69912469399863 0.02668088237414 0.66249897498310 28.085 > 80 -------------------------------- super cell -------------------------------- Lattice vectors: a 5.186769640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.287060599999997 0.000000000000000 c 0.000000000000000 0.000000000000000 8.828563589999998 Atomic positions (fractional): *1 O 0.89136012837438 0.05298018357085 0.80736624247123 15.999 > 1 2 O 0.39136012837438 0.44701981642915 0.19263375752877 15.999 > 2 3 O 0.60863987162562 0.94701981642915 0.30736624247123 15.999 > 3 4 O 0.10863987162562 0.55298018357085 0.69263375752877 15.999 > 4 5 O 0.10863987162562 0.94701981642915 0.19263375752877 15.999 > 5 6 O 0.60863987162562 0.55298018357085 0.80736624247123 15.999 > 6 7 O 0.39136012837438 0.05298018357085 0.69263375752877 15.999 > 7 8 O 0.89136012837438 0.44701981642915 0.30736624247123 15.999 > 8 *9 O 0.81323390462600 0.06749260376331 0.51693648814028 15.999 > 9 10 O 0.31323390462600 0.43250739623669 0.48306351185972 15.999 > 10 11 O 0.68676609537400 0.93250739623669 0.01693648814028 15.999 > 11 12 O 0.18676609537400 0.56749260376331 0.98306351185972 15.999 > 12 13 O 0.18676609537400 0.93250739623669 0.48306351185972 15.999 > 13 14 O 0.68676609537400 0.56749260376331 0.51693648814028 15.999 > 14 15 O 0.31323390462600 0.06749260376331 0.98306351185972 15.999 > 15 16 O 0.81323390462600 0.43250739623669 0.01693648814028 15.999 > 16 *17 O 0.69693848467094 0.93755341398980 0.66010990141972 15.999 > 17 18 O 0.19693848467094 0.56244658601020 0.33989009858028 15.999 > 18 19 O 0.80306151532906 0.06244658601020 0.16010990141972 15.999 > 19 *20 O 0.46121860143985 0.18896429543850 0.49615904351021 15.999 > 20 21 O 0.30306151532906 0.43755341398980 0.83989009858028 15.999 > 21 22 O 0.80306151532906 0.43755341398980 0.66010990141972 15.999 > 22 23 O 0.19693848467094 0.93755341398980 0.83989009858028 15.999 > 23 24 O 0.69693848467094 0.56244658601020 0.16010990141972 15.999 > 24 *25 O 0.66998010059883 0.19672079934799 0.77914879598810 15.999 > 25 26 O 0.16998010059883 0.30327920065201 0.22085120401190 15.999 > 26 27 O 0.83001989940117 0.80327920065201 0.27914879598810 15.999 > 27 28 O 0.33001989940117 0.69672079934799 0.72085120401190 15.999 > 28 29 O 0.33001989940117 0.80327920065201 0.22085120401190 15.999 > 29 30 O 0.83001989940117 0.69672079934799 0.77914879598810 15.999 > 30 31 O 0.16998010059883 0.19672079934799 0.72085120401190 15.999 > 31 32 O 0.66998010059883 0.30327920065201 0.27914879598810 15.999 > 32 *33 O 0.47100339494687 0.18274615664903 0.15946963348096 15.999 > 33 34 O 0.97100339494687 0.31725384335097 0.84053036651904 15.999 > 34 35 O 0.02899660505313 0.81725384335097 0.65946963348096 15.999 > 35 36 O 0.52899660505313 0.68274615664903 0.34053036651904 15.999 > 36 37 O 0.52899660505313 0.81725384335097 0.84053036651904 15.999 > 37 38 O 0.02899660505313 0.68274615664903 0.15946963348096 15.999 > 38 39 O 0.97100339494687 0.18274615664903 0.34053036651904 15.999 > 39 40 O 0.47100339494687 0.31725384335097 0.65946963348096 15.999 > 40 41 O 0.46121860143985 0.31103570456150 0.99615904351021 15.999 > 41 42 O 0.96121860143986 0.18896429543850 0.00384095648980 15.999 > 42 43 O 0.03878139856014 0.68896429543850 0.49615904351021 15.999 > 43 44 O 0.53878139856014 0.81103570456150 0.50384095648979 15.999 > 44 45 O 0.53878139856014 0.68896429543850 0.00384095648980 15.999 > 45 46 O 0.03878139856014 0.81103570456150 0.99615904351021 15.999 > 46 47 O 0.96121860143986 0.31103570456150 0.50384095648979 15.999 > 47 48 O 0.30306151532906 0.06244658601020 0.33989009858028 15.999 > 48 *49 Mg 0.63828974572195 0.37603863533988 0.84505526937651 24.305 > 49 50 Mg 0.13828974572195 0.12396136466013 0.15494473062349 24.305 > 50 51 Mg 0.86171025427805 0.62396136466013 0.34505526937651 24.305 > 51 52 Mg 0.36171025427805 0.87603863533987 0.65494473062349 24.305 > 52 53 Mg 0.36171025427805 0.62396136466013 0.15494473062349 24.305 > 53 54 Mg 0.86171025427805 0.87603863533987 0.84505526937651 24.305 > 54 55 Mg 0.13828974572195 0.37603863533988 0.65494473062349 24.305 > 55 56 Mg 0.63828974572195 0.12396136466013 0.34505526937651 24.305 > 56 *57 Mg 0.14566348429611 0.37702764106894 0.01429926967764 24.305 > 57 58 Mg 0.64566348429611 0.12297235893106 0.98570073032236 24.305 > 58 59 Mg 0.35433651570389 0.62297235893106 0.51429926967764 24.305 > 59 60 Mg 0.85433651570389 0.87702764106894 0.48570073032236 24.305 > 60 61 Mg 0.85433651570389 0.62297235893106 0.98570073032236 24.305 > 61 62 Mg 0.35433651570389 0.87702764106894 0.01429926967764 24.305 > 62 63 Mg 0.64566348429611 0.37702764106894 0.48570073032236 24.305 > 63 64 Mg 0.14566348429611 0.12297235893106 0.51429926967764 24.305 > 64 *65 Si 0.45352886549585 0.27134964441236 0.15766220844707 28.085 > 65 66 Si 0.95352886549585 0.22865035558763 0.84233779155293 28.085 > 66 67 Si 0.04647113450415 0.72865035558764 0.65766220844707 28.085 > 67 68 Si 0.54647113450415 0.77134964441236 0.34233779155293 28.085 > 68 69 Si 0.54647113450415 0.72865035558764 0.84233779155293 28.085 > 69 70 Si 0.04647113450415 0.77134964441236 0.15766220844707 28.085 > 70 71 Si 0.95352886549585 0.27134964441236 0.34233779155293 28.085 > 71 72 Si 0.45352886549585 0.22865035558763 0.65766220844707 28.085 > 72 *73 Si 0.69912469399863 0.47331911762586 0.16249897498310 28.085 > 73 74 Si 0.19912469399863 0.02668088237414 0.83750102501690 28.085 > 74 75 Si 0.80087530600137 0.52668088237414 0.66249897498310 28.085 > 75 76 Si 0.30087530600137 0.97331911762586 0.33750102501690 28.085 > 76 77 Si 0.30087530600137 0.52668088237414 0.83750102501690 28.085 > 77 78 Si 0.80087530600137 0.97331911762586 0.16249897498310 28.085 > 78 79 Si 0.19912469399863 0.47331911762586 0.33750102501690 28.085 > 79 80 Si 0.69912469399863 0.02668088237414 0.66249897498310 28.085 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9365722 0.0000000 0.0000000 0.0000000 2.9099015 0.0000000 0.0000000 0.0000000 2.9090820 -------------------------- Born effective charges -------------------------- 1 O -2.3534226 0.1040329 -0.5150484 0.1176770 -1.3662185 -0.1677823 -0.5150430 -0.1462073 -1.6862079 2 O -2.3534226 -0.1040329 0.5150484 -0.1176770 -1.3662185 -0.1677823 0.5150430 -0.1462073 -1.6862079 3 O -2.3534226 0.1040329 0.5150484 0.1176770 -1.3662185 0.1677823 0.5150430 0.1462073 -1.6862079 4 O -2.3534226 -0.1040329 -0.5150484 -0.1176770 -1.3662185 0.1677823 -0.5150430 0.1462073 -1.6862079 5 O -2.3534226 0.1040329 -0.5150484 0.1176770 -1.3662185 -0.1677823 -0.5150430 -0.1462073 -1.6862079 6 O -2.3534226 -0.1040329 0.5150484 -0.1176770 -1.3662185 -0.1677823 0.5150430 -0.1462073 -1.6862079 7 O -2.3534226 0.1040329 0.5150484 0.1176770 -1.3662185 0.1677823 0.5150430 0.1462073 -1.6862079 8 O -2.3534226 -0.1040329 -0.5150484 -0.1176770 -1.3662185 0.1677823 -0.5150430 0.1462073 -1.6862079 9 O -1.6227522 -0.1615361 0.0491501 -0.1725156 -1.5702278 0.3569005 0.1698998 0.3598125 -1.8640146 10 O -1.6227522 0.1615361 -0.0491501 0.1725156 -1.5702278 0.3569005 -0.1698998 0.3598125 -1.8640146 11 O -1.6227522 -0.1615361 -0.0491501 -0.1725156 -1.5702278 -0.3569005 -0.1698998 -0.3598125 -1.8640146 12 O -1.6227522 0.1615361 0.0491501 0.1725156 -1.5702278 -0.3569005 0.1698998 -0.3598125 -1.8640146 13 O -1.6227522 -0.1615361 0.0491501 -0.1725156 -1.5702278 0.3569005 0.1698998 0.3598125 -1.8640146 14 O -1.6227522 0.1615361 -0.0491501 0.1725156 -1.5702278 0.3569005 -0.1698998 0.3598125 -1.8640146 15 O -1.6227522 -0.1615361 -0.0491501 -0.1725156 -1.5702278 -0.3569005 -0.1698998 -0.3598125 -1.8640146 16 O -1.6227522 0.1615361 0.0491501 0.1725156 -1.5702278 -0.3569005 0.1698998 -0.3598125 -1.8640146 17 O -1.5312779 -0.0092631 -0.0468919 -0.0293825 -2.2353219 -0.0086805 -0.0081038 -0.1136938 -1.5459516 18 O -1.5312779 0.0092631 0.0468919 0.0293825 -2.2353219 -0.0086805 0.0081038 -0.1136938 -1.5459516 19 O -1.5312779 -0.0092631 0.0468919 -0.0293825 -2.2353219 0.0086805 0.0081038 0.1136938 -1.5459516 20 O -1.5152411 -0.0242513 0.0828380 -0.0417370 -1.6306481 -0.3473531 0.0650433 -0.3630272 -1.9627197 21 O -1.5312779 0.0092631 -0.0468919 0.0293825 -2.2353219 0.0086805 -0.0081038 0.1136938 -1.5459516 22 O -1.5312779 0.0092631 0.0468919 0.0293825 -2.2353219 -0.0086805 0.0081038 -0.1136938 -1.5459516 23 O -1.5312779 -0.0092631 0.0468919 -0.0293825 -2.2353219 0.0086805 0.0081038 0.1136938 -1.5459516 24 O -1.5312779 0.0092631 -0.0468919 0.0293825 -2.2353219 0.0086805 -0.0081038 0.1136938 -1.5459516 25 O -2.2317294 -0.0343775 -0.7378950 -0.0424719 -1.4352082 0.1810409 -0.6282123 0.1395169 -1.7244889 26 O -2.2317294 0.0343775 0.7378950 0.0424719 -1.4352082 0.1810409 0.6282123 0.1395169 -1.7244889 27 O -2.2317294 -0.0343775 0.7378950 -0.0424719 -1.4352082 -0.1810409 0.6282123 -0.1395169 -1.7244889 28 O -2.2317294 0.0343775 -0.7378950 0.0424719 -1.4352082 -0.1810409 -0.6282123 -0.1395169 -1.7244889 29 O -2.2317294 -0.0343775 -0.7378950 -0.0424719 -1.4352082 0.1810409 -0.6282123 0.1395169 -1.7244889 30 O -2.2317294 0.0343775 0.7378950 0.0424719 -1.4352082 0.1810409 0.6282123 0.1395169 -1.7244889 31 O -2.2317294 -0.0343775 0.7378950 -0.0424719 -1.4352082 -0.1810409 0.6282123 -0.1395169 -1.7244889 32 O -2.2317294 0.0343775 -0.7378950 0.0424719 -1.4352082 -0.1810409 -0.6282123 -0.1395169 -1.7244889 33 O -1.5443387 0.0293473 -0.0149037 0.0378162 -2.1830994 0.0165129 0.0068828 -0.0769138 -1.5368760 34 O -1.5443387 -0.0293473 0.0149037 -0.0378162 -2.1830994 0.0165129 -0.0068828 -0.0769138 -1.5368760 35 O -1.5443387 0.0293473 0.0149037 0.0378162 -2.1830994 -0.0165129 -0.0068828 0.0769138 -1.5368760 36 O -1.5443387 -0.0293473 -0.0149037 -0.0378162 -2.1830994 -0.0165129 0.0068828 0.0769138 -1.5368760 37 O -1.5443387 0.0293473 -0.0149037 0.0378162 -2.1830994 0.0165129 0.0068828 -0.0769138 -1.5368760 38 O -1.5443387 -0.0293473 0.0149037 -0.0378162 -2.1830994 0.0165129 -0.0068828 -0.0769138 -1.5368760 39 O -1.5443387 0.0293473 0.0149037 0.0378162 -2.1830994 -0.0165129 -0.0068828 0.0769138 -1.5368760 40 O -1.5443387 -0.0293473 -0.0149037 -0.0378162 -2.1830994 -0.0165129 0.0068828 0.0769138 -1.5368760 41 O -1.5152411 0.0242513 0.0828380 0.0417370 -1.6306481 0.3473531 0.0650433 0.3630272 -1.9627197 42 O -1.5152411 -0.0242513 -0.0828380 -0.0417370 -1.6306481 0.3473531 -0.0650433 0.3630272 -1.9627197 43 O -1.5152411 0.0242513 -0.0828380 0.0417370 -1.6306481 -0.3473531 -0.0650433 -0.3630272 -1.9627197 44 O -1.5152411 -0.0242513 0.0828380 -0.0417370 -1.6306481 -0.3473531 0.0650433 -0.3630272 -1.9627197 45 O -1.5152411 0.0242513 0.0828380 0.0417370 -1.6306481 0.3473531 0.0650433 0.3630272 -1.9627197 46 O -1.5152411 -0.0242513 -0.0828380 -0.0417370 -1.6306481 0.3473531 -0.0650433 0.3630272 -1.9627197 47 O -1.5152411 0.0242513 -0.0828380 0.0417370 -1.6306481 -0.3473531 -0.0650433 -0.3630272 -1.9627197 48 O -1.5312779 -0.0092631 -0.0468919 -0.0293825 -2.2353219 -0.0086805 -0.0081038 -0.1136938 -1.5459516 49 Mg 2.0122961 0.0086345 -0.0190068 -0.0121980 2.2163032 -0.0012037 -0.0148639 -0.0197812 2.1975182 50 Mg 2.0122961 -0.0086345 0.0190068 0.0121980 2.2163032 -0.0012037 0.0148639 -0.0197812 2.1975182 51 Mg 2.0122961 0.0086345 0.0190068 -0.0121980 2.2163032 0.0012037 0.0148639 0.0197812 2.1975182 52 Mg 2.0122961 -0.0086345 -0.0190068 0.0121980 2.2163032 0.0012037 -0.0148639 0.0197812 2.1975182 53 Mg 2.0122961 0.0086345 -0.0190068 -0.0121980 2.2163032 -0.0012037 -0.0148639 -0.0197812 2.1975182 54 Mg 2.0122961 -0.0086345 0.0190068 0.0121980 2.2163032 -0.0012037 0.0148639 -0.0197812 2.1975182 55 Mg 2.0122961 0.0086345 0.0190068 -0.0121980 2.2163032 0.0012037 0.0148639 0.0197812 2.1975182 56 Mg 2.0122961 -0.0086345 -0.0190068 0.0121980 2.2163032 0.0012037 -0.0148639 0.0197812 2.1975182 57 Mg 2.0738289 -0.0208634 0.1064929 -0.0375507 2.2328556 -0.0130219 0.0755212 -0.0026740 2.1345173 58 Mg 2.0738289 0.0208634 -0.1064929 0.0375507 2.2328556 -0.0130219 -0.0755212 -0.0026740 2.1345173 59 Mg 2.0738289 -0.0208634 -0.1064929 -0.0375507 2.2328556 0.0130219 -0.0755212 0.0026740 2.1345173 60 Mg 2.0738289 0.0208634 0.1064929 0.0375507 2.2328556 0.0130219 0.0755212 0.0026740 2.1345173 61 Mg 2.0738289 -0.0208634 0.1064929 -0.0375507 2.2328556 -0.0130219 0.0755212 -0.0026740 2.1345173 62 Mg 2.0738289 0.0208634 -0.1064929 0.0375507 2.2328556 -0.0130219 -0.0755212 -0.0026740 2.1345173 63 Mg 2.0738289 -0.0208634 -0.1064929 -0.0375507 2.2328556 0.0130219 -0.0755212 0.0026740 2.1345173 64 Mg 2.0738289 0.0208634 0.1064929 0.0375507 2.2328556 0.0130219 0.0755212 0.0026740 2.1345173 65 Si 3.3182359 -0.0477489 0.2161515 -0.0661957 2.9942864 -0.1496993 0.0392950 0.0462070 3.0748825 66 Si 3.3182359 0.0477489 -0.2161515 0.0661957 2.9942864 -0.1496993 -0.0392950 0.0462070 3.0748825 67 Si 3.3182359 -0.0477489 -0.2161515 -0.0661957 2.9942864 0.1496993 -0.0392950 -0.0462070 3.0748825 68 Si 3.3182359 0.0477489 0.2161515 0.0661957 2.9942864 0.1496993 0.0392950 -0.0462070 3.0748825 69 Si 3.3182359 -0.0477489 0.2161515 -0.0661957 2.9942864 -0.1496993 0.0392950 0.0462070 3.0748825 70 Si 3.3182359 0.0477489 -0.2161515 0.0661957 2.9942864 -0.1496993 -0.0392950 0.0462070 3.0748825 71 Si 3.3182359 -0.0477489 -0.2161515 -0.0661957 2.9942864 0.1496993 -0.0392950 -0.0462070 3.0748825 72 Si 3.3182359 0.0477489 0.2161515 0.0661957 2.9942864 0.1496993 0.0392950 -0.0462070 3.0748825 73 Si 3.3944010 -0.0688132 0.1821565 -0.0769545 2.9772787 0.1190943 -0.0899103 -0.0551293 2.9133408 74 Si 3.3944010 0.0688132 -0.1821565 0.0769545 2.9772787 0.1190943 0.0899103 -0.0551293 2.9133408 75 Si 3.3944010 -0.0688132 -0.1821565 -0.0769545 2.9772787 -0.1190943 0.0899103 0.0551293 2.9133408 76 Si 3.3944010 0.0688132 0.1821565 0.0769545 2.9772787 -0.1190943 -0.0899103 0.0551293 2.9133408 77 Si 3.3944010 -0.0688132 0.1821565 -0.0769545 2.9772787 0.1190943 -0.0899103 -0.0551293 2.9133408 78 Si 3.3944010 0.0688132 -0.1821565 0.0769545 2.9772787 0.1190943 0.0899103 -0.0551293 2.9133408 79 Si 3.3944010 -0.0688132 -0.1821565 -0.0769545 2.9772787 -0.1190943 0.0899103 0.0551293 2.9133408 80 Si 3.3944010 0.0688132 0.1821565 0.0769545 2.9772787 -0.1190943 -0.0899103 0.0551293 2.9133408 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 28680/28680 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3630), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.720 Solver_block: 200 / 1200 - Time: 0.608 Solver_block: 300 / 1200 - Time: 0.607 Solver_block: 400 / 1200 - Time: 0.613 Solver_block: 500 / 1200 - Time: 0.612 Solver_block: 600 / 1200 - Time: 0.610 Solver_block: 700 / 1200 - Time: 0.608 Solver_block: 800 / 1200 - Time: 0.616 Solver_block: 900 / 1200 - Time: 0.608 Solver_block: 1000 / 1200 - Time: 0.609 Solver_block: 1100 / 1200 - Time: 0.612 Solver_block: 1200 / 1200 - Time: 0.606 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.606 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 28680/28680 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3630), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:03:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:03:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.186769640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.287060599999997 0.000000000000000 c 0.000000000000000 0.000000000000000 8.828563589999998 Atomic positions (fractional): 1 O 0.89136012837438 0.05298018357085 0.80736624247123 15.999 2 O 0.39136012837438 0.44701981642915 0.19263375752877 15.999 3 O 0.60863987162562 0.94701981642915 0.30736624247123 15.999 4 O 0.10863987162562 0.55298018357085 0.69263375752877 15.999 5 O 0.10863987162562 0.94701981642915 0.19263375752877 15.999 6 O 0.60863987162562 0.55298018357085 0.80736624247123 15.999 7 O 0.39136012837438 0.05298018357085 0.69263375752877 15.999 8 O 0.89136012837438 0.44701981642915 0.30736624247123 15.999 9 O 0.81323390462600 0.06749260376331 0.51693648814028 15.999 10 O 0.31323390462600 0.43250739623669 0.48306351185972 15.999 11 O 0.68676609537400 0.93250739623669 0.01693648814028 15.999 12 O 0.18676609537400 0.56749260376331 0.98306351185972 15.999 13 O 0.18676609537400 0.93250739623669 0.48306351185972 15.999 14 O 0.68676609537400 0.56749260376331 0.51693648814028 15.999 15 O 0.31323390462600 0.06749260376331 0.98306351185972 15.999 16 O 0.81323390462600 0.43250739623669 0.01693648814028 15.999 17 O 0.69693848467094 0.93755341398980 0.66010990141972 15.999 18 O 0.19693848467094 0.56244658601020 0.33989009858028 15.999 19 O 0.80306151532906 0.06244658601020 0.16010990141972 15.999 20 O 0.46121860143985 0.18896429543850 0.49615904351021 15.999 21 O 0.30306151532906 0.43755341398980 0.83989009858028 15.999 22 O 0.80306151532906 0.43755341398980 0.66010990141972 15.999 23 O 0.19693848467094 0.93755341398980 0.83989009858028 15.999 24 O 0.69693848467094 0.56244658601020 0.16010990141972 15.999 25 O 0.66998010059883 0.19672079934799 0.77914879598810 15.999 26 O 0.16998010059883 0.30327920065201 0.22085120401190 15.999 27 O 0.83001989940117 0.80327920065201 0.27914879598810 15.999 28 O 0.33001989940117 0.69672079934799 0.72085120401190 15.999 29 O 0.33001989940117 0.80327920065201 0.22085120401190 15.999 30 O 0.83001989940117 0.69672079934799 0.77914879598810 15.999 31 O 0.16998010059883 0.19672079934799 0.72085120401190 15.999 32 O 0.66998010059883 0.30327920065201 0.27914879598810 15.999 33 O 0.47100339494687 0.18274615664903 0.15946963348096 15.999 34 O 0.97100339494687 0.31725384335097 0.84053036651904 15.999 35 O 0.02899660505313 0.81725384335097 0.65946963348096 15.999 36 O 0.52899660505313 0.68274615664903 0.34053036651904 15.999 37 O 0.52899660505313 0.81725384335097 0.84053036651904 15.999 38 O 0.02899660505313 0.68274615664903 0.15946963348096 15.999 39 O 0.97100339494687 0.18274615664903 0.34053036651904 15.999 40 O 0.47100339494687 0.31725384335097 0.65946963348096 15.999 41 O 0.46121860143985 0.31103570456150 0.99615904351021 15.999 42 O 0.96121860143986 0.18896429543850 0.00384095648980 15.999 43 O 0.03878139856014 0.68896429543850 0.49615904351021 15.999 44 O 0.53878139856014 0.81103570456150 0.50384095648979 15.999 45 O 0.53878139856014 0.68896429543850 0.00384095648980 15.999 46 O 0.03878139856014 0.81103570456150 0.99615904351021 15.999 47 O 0.96121860143986 0.31103570456150 0.50384095648979 15.999 48 O 0.30306151532906 0.06244658601020 0.33989009858028 15.999 49 Mg 0.63828974572195 0.37603863533988 0.84505526937651 24.305 50 Mg 0.13828974572195 0.12396136466013 0.15494473062349 24.305 51 Mg 0.86171025427805 0.62396136466013 0.34505526937651 24.305 52 Mg 0.36171025427805 0.87603863533987 0.65494473062349 24.305 53 Mg 0.36171025427805 0.62396136466013 0.15494473062349 24.305 54 Mg 0.86171025427805 0.87603863533987 0.84505526937651 24.305 55 Mg 0.13828974572195 0.37603863533988 0.65494473062349 24.305 56 Mg 0.63828974572195 0.12396136466013 0.34505526937651 24.305 57 Mg 0.14566348429611 0.37702764106894 0.01429926967764 24.305 58 Mg 0.64566348429611 0.12297235893106 0.98570073032236 24.305 59 Mg 0.35433651570389 0.62297235893106 0.51429926967764 24.305 60 Mg 0.85433651570389 0.87702764106894 0.48570073032236 24.305 61 Mg 0.85433651570389 0.62297235893106 0.98570073032236 24.305 62 Mg 0.35433651570389 0.87702764106894 0.01429926967764 24.305 63 Mg 0.64566348429611 0.37702764106894 0.48570073032236 24.305 64 Mg 0.14566348429611 0.12297235893106 0.51429926967764 24.305 65 Si 0.45352886549585 0.27134964441236 0.15766220844707 28.085 66 Si 0.95352886549585 0.22865035558763 0.84233779155293 28.085 67 Si 0.04647113450415 0.72865035558764 0.65766220844707 28.085 68 Si 0.54647113450415 0.77134964441236 0.34233779155293 28.085 69 Si 0.54647113450415 0.72865035558764 0.84233779155293 28.085 70 Si 0.04647113450415 0.77134964441236 0.15766220844707 28.085 71 Si 0.95352886549585 0.27134964441236 0.34233779155293 28.085 72 Si 0.45352886549585 0.22865035558763 0.65766220844707 28.085 73 Si 0.69912469399863 0.47331911762586 0.16249897498310 28.085 74 Si 0.19912469399863 0.02668088237414 0.83750102501690 28.085 75 Si 0.80087530600137 0.52668088237414 0.66249897498310 28.085 76 Si 0.30087530600137 0.97331911762586 0.33750102501690 28.085 77 Si 0.30087530600137 0.52668088237414 0.83750102501690 28.085 78 Si 0.80087530600137 0.97331911762586 0.16249897498310 28.085 79 Si 0.19912469399863 0.47331911762586 0.33750102501690 28.085 80 Si 0.69912469399863 0.02668088237414 0.66249897498310 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 5.186769640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.287060599999997 0.000000000000000 c 0.000000000000000 0.000000000000000 8.828563589999998 Atomic positions (fractional): 1 O 0.89136012837438 0.05298018357085 0.80736624247123 15.999 > 1 2 O 0.39136012837438 0.44701981642915 0.19263375752877 15.999 > 2 3 O 0.60863987162562 0.94701981642915 0.30736624247123 15.999 > 3 4 O 0.10863987162562 0.55298018357085 0.69263375752877 15.999 > 4 5 O 0.10863987162562 0.94701981642915 0.19263375752877 15.999 > 5 6 O 0.60863987162562 0.55298018357085 0.80736624247123 15.999 > 6 7 O 0.39136012837438 0.05298018357085 0.69263375752877 15.999 > 7 8 O 0.89136012837438 0.44701981642915 0.30736624247123 15.999 > 8 9 O 0.81323390462600 0.06749260376331 0.51693648814028 15.999 > 9 10 O 0.31323390462600 0.43250739623669 0.48306351185972 15.999 > 10 11 O 0.68676609537400 0.93250739623669 0.01693648814028 15.999 > 11 12 O 0.18676609537400 0.56749260376331 0.98306351185972 15.999 > 12 13 O 0.18676609537400 0.93250739623669 0.48306351185972 15.999 > 13 14 O 0.68676609537400 0.56749260376331 0.51693648814028 15.999 > 14 15 O 0.31323390462600 0.06749260376331 0.98306351185972 15.999 > 15 16 O 0.81323390462600 0.43250739623669 0.01693648814028 15.999 > 16 17 O 0.69693848467094 0.93755341398980 0.66010990141972 15.999 > 17 18 O 0.19693848467094 0.56244658601020 0.33989009858028 15.999 > 18 19 O 0.80306151532906 0.06244658601020 0.16010990141972 15.999 > 19 20 O 0.46121860143985 0.18896429543850 0.49615904351021 15.999 > 20 21 O 0.30306151532906 0.43755341398980 0.83989009858028 15.999 > 21 22 O 0.80306151532906 0.43755341398980 0.66010990141972 15.999 > 22 23 O 0.19693848467094 0.93755341398980 0.83989009858028 15.999 > 23 24 O 0.69693848467094 0.56244658601020 0.16010990141972 15.999 > 24 25 O 0.66998010059883 0.19672079934799 0.77914879598810 15.999 > 25 26 O 0.16998010059883 0.30327920065201 0.22085120401190 15.999 > 26 27 O 0.83001989940117 0.80327920065201 0.27914879598810 15.999 > 27 28 O 0.33001989940117 0.69672079934799 0.72085120401190 15.999 > 28 29 O 0.33001989940117 0.80327920065201 0.22085120401190 15.999 > 29 30 O 0.83001989940117 0.69672079934799 0.77914879598810 15.999 > 30 31 O 0.16998010059883 0.19672079934799 0.72085120401190 15.999 > 31 32 O 0.66998010059883 0.30327920065201 0.27914879598810 15.999 > 32 33 O 0.47100339494687 0.18274615664903 0.15946963348096 15.999 > 33 34 O 0.97100339494687 0.31725384335097 0.84053036651904 15.999 > 34 35 O 0.02899660505313 0.81725384335097 0.65946963348096 15.999 > 35 36 O 0.52899660505313 0.68274615664903 0.34053036651904 15.999 > 36 37 O 0.52899660505313 0.81725384335097 0.84053036651904 15.999 > 37 38 O 0.02899660505313 0.68274615664903 0.15946963348096 15.999 > 38 39 O 0.97100339494687 0.18274615664903 0.34053036651904 15.999 > 39 40 O 0.47100339494687 0.31725384335097 0.65946963348096 15.999 > 40 41 O 0.46121860143985 0.31103570456150 0.99615904351021 15.999 > 41 42 O 0.96121860143986 0.18896429543850 0.00384095648980 15.999 > 42 43 O 0.03878139856014 0.68896429543850 0.49615904351021 15.999 > 43 44 O 0.53878139856014 0.81103570456150 0.50384095648979 15.999 > 44 45 O 0.53878139856014 0.68896429543850 0.00384095648980 15.999 > 45 46 O 0.03878139856014 0.81103570456150 0.99615904351021 15.999 > 46 47 O 0.96121860143986 0.31103570456150 0.50384095648979 15.999 > 47 48 O 0.30306151532906 0.06244658601020 0.33989009858028 15.999 > 48 49 Mg 0.63828974572195 0.37603863533988 0.84505526937651 24.305 > 49 50 Mg 0.13828974572195 0.12396136466013 0.15494473062349 24.305 > 50 51 Mg 0.86171025427805 0.62396136466013 0.34505526937651 24.305 > 51 52 Mg 0.36171025427805 0.87603863533987 0.65494473062349 24.305 > 52 53 Mg 0.36171025427805 0.62396136466013 0.15494473062349 24.305 > 53 54 Mg 0.86171025427805 0.87603863533987 0.84505526937651 24.305 > 54 55 Mg 0.13828974572195 0.37603863533988 0.65494473062349 24.305 > 55 56 Mg 0.63828974572195 0.12396136466013 0.34505526937651 24.305 > 56 57 Mg 0.14566348429611 0.37702764106894 0.01429926967764 24.305 > 57 58 Mg 0.64566348429611 0.12297235893106 0.98570073032236 24.305 > 58 59 Mg 0.35433651570389 0.62297235893106 0.51429926967764 24.305 > 59 60 Mg 0.85433651570389 0.87702764106894 0.48570073032236 24.305 > 60 61 Mg 0.85433651570389 0.62297235893106 0.98570073032236 24.305 > 61 62 Mg 0.35433651570389 0.87702764106894 0.01429926967764 24.305 > 62 63 Mg 0.64566348429611 0.37702764106894 0.48570073032236 24.305 > 63 64 Mg 0.14566348429611 0.12297235893106 0.51429926967764 24.305 > 64 65 Si 0.45352886549585 0.27134964441236 0.15766220844707 28.085 > 65 66 Si 0.95352886549585 0.22865035558763 0.84233779155293 28.085 > 66 67 Si 0.04647113450415 0.72865035558764 0.65766220844707 28.085 > 67 68 Si 0.54647113450415 0.77134964441236 0.34233779155293 28.085 > 68 69 Si 0.54647113450415 0.72865035558764 0.84233779155293 28.085 > 69 70 Si 0.04647113450415 0.77134964441236 0.15766220844707 28.085 > 70 71 Si 0.95352886549585 0.27134964441236 0.34233779155293 28.085 > 71 72 Si 0.45352886549585 0.22865035558763 0.65766220844707 28.085 > 72 73 Si 0.69912469399863 0.47331911762586 0.16249897498310 28.085 > 73 74 Si 0.19912469399863 0.02668088237414 0.83750102501690 28.085 > 74 75 Si 0.80087530600137 0.52668088237414 0.66249897498310 28.085 > 75 76 Si 0.30087530600137 0.97331911762586 0.33750102501690 28.085 > 76 77 Si 0.30087530600137 0.52668088237414 0.83750102501690 28.085 > 77 78 Si 0.80087530600137 0.97331911762586 0.16249897498310 28.085 > 78 79 Si 0.19912469399863 0.47331911762586 0.33750102501690 28.085 > 79 80 Si 0.69912469399863 0.02668088237414 0.66249897498310 28.085 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9365722 0.0000000 0.0000000 0.0000000 2.9099015 0.0000000 0.0000000 0.0000000 2.9090820 -------------------------- Born effective charges -------------------------- 1 O -2.3534226 0.1040329 -0.5150484 0.1176770 -1.3662185 -0.1677823 -0.5150430 -0.1462073 -1.6862079 2 O -2.3534226 -0.1040329 0.5150484 -0.1176770 -1.3662185 -0.1677823 0.5150430 -0.1462073 -1.6862079 3 O -2.3534226 0.1040329 0.5150484 0.1176770 -1.3662185 0.1677823 0.5150430 0.1462073 -1.6862079 4 O -2.3534226 -0.1040329 -0.5150484 -0.1176770 -1.3662185 0.1677823 -0.5150430 0.1462073 -1.6862079 5 O -2.3534226 0.1040329 -0.5150484 0.1176770 -1.3662185 -0.1677823 -0.5150430 -0.1462073 -1.6862079 6 O -2.3534226 -0.1040329 0.5150484 -0.1176770 -1.3662185 -0.1677823 0.5150430 -0.1462073 -1.6862079 7 O -2.3534226 0.1040329 0.5150484 0.1176770 -1.3662185 0.1677823 0.5150430 0.1462073 -1.6862079 8 O -2.3534226 -0.1040329 -0.5150484 -0.1176770 -1.3662185 0.1677823 -0.5150430 0.1462073 -1.6862079 9 O -1.6227522 -0.1615361 0.0491501 -0.1725156 -1.5702278 0.3569005 0.1698998 0.3598125 -1.8640146 10 O -1.6227522 0.1615361 -0.0491501 0.1725156 -1.5702278 0.3569005 -0.1698998 0.3598125 -1.8640146 11 O -1.6227522 -0.1615361 -0.0491501 -0.1725156 -1.5702278 -0.3569005 -0.1698998 -0.3598125 -1.8640146 12 O -1.6227522 0.1615361 0.0491501 0.1725156 -1.5702278 -0.3569005 0.1698998 -0.3598125 -1.8640146 13 O -1.6227522 -0.1615361 0.0491501 -0.1725156 -1.5702278 0.3569005 0.1698998 0.3598125 -1.8640146 14 O -1.6227522 0.1615361 -0.0491501 0.1725156 -1.5702278 0.3569005 -0.1698998 0.3598125 -1.8640146 15 O -1.6227522 -0.1615361 -0.0491501 -0.1725156 -1.5702278 -0.3569005 -0.1698998 -0.3598125 -1.8640146 16 O -1.6227522 0.1615361 0.0491501 0.1725156 -1.5702278 -0.3569005 0.1698998 -0.3598125 -1.8640146 17 O -1.5312779 -0.0092631 -0.0468919 -0.0293825 -2.2353219 -0.0086805 -0.0081038 -0.1136938 -1.5459516 18 O -1.5312779 0.0092631 0.0468919 0.0293825 -2.2353219 -0.0086805 0.0081038 -0.1136938 -1.5459516 19 O -1.5312779 -0.0092631 0.0468919 -0.0293825 -2.2353219 0.0086805 0.0081038 0.1136938 -1.5459516 20 O -1.5152411 -0.0242513 0.0828380 -0.0417370 -1.6306481 -0.3473531 0.0650433 -0.3630272 -1.9627197 21 O -1.5312779 0.0092631 -0.0468919 0.0293825 -2.2353219 0.0086805 -0.0081038 0.1136938 -1.5459516 22 O -1.5312779 0.0092631 0.0468919 0.0293825 -2.2353219 -0.0086805 0.0081038 -0.1136938 -1.5459516 23 O -1.5312779 -0.0092631 0.0468919 -0.0293825 -2.2353219 0.0086805 0.0081038 0.1136938 -1.5459516 24 O -1.5312779 0.0092631 -0.0468919 0.0293825 -2.2353219 0.0086805 -0.0081038 0.1136938 -1.5459516 25 O -2.2317294 -0.0343775 -0.7378950 -0.0424719 -1.4352082 0.1810409 -0.6282123 0.1395169 -1.7244889 26 O -2.2317294 0.0343775 0.7378950 0.0424719 -1.4352082 0.1810409 0.6282123 0.1395169 -1.7244889 27 O -2.2317294 -0.0343775 0.7378950 -0.0424719 -1.4352082 -0.1810409 0.6282123 -0.1395169 -1.7244889 28 O -2.2317294 0.0343775 -0.7378950 0.0424719 -1.4352082 -0.1810409 -0.6282123 -0.1395169 -1.7244889 29 O -2.2317294 -0.0343775 -0.7378950 -0.0424719 -1.4352082 0.1810409 -0.6282123 0.1395169 -1.7244889 30 O -2.2317294 0.0343775 0.7378950 0.0424719 -1.4352082 0.1810409 0.6282123 0.1395169 -1.7244889 31 O -2.2317294 -0.0343775 0.7378950 -0.0424719 -1.4352082 -0.1810409 0.6282123 -0.1395169 -1.7244889 32 O -2.2317294 0.0343775 -0.7378950 0.0424719 -1.4352082 -0.1810409 -0.6282123 -0.1395169 -1.7244889 33 O -1.5443387 0.0293473 -0.0149037 0.0378162 -2.1830994 0.0165129 0.0068828 -0.0769138 -1.5368760 34 O -1.5443387 -0.0293473 0.0149037 -0.0378162 -2.1830994 0.0165129 -0.0068828 -0.0769138 -1.5368760 35 O -1.5443387 0.0293473 0.0149037 0.0378162 -2.1830994 -0.0165129 -0.0068828 0.0769138 -1.5368760 36 O -1.5443387 -0.0293473 -0.0149037 -0.0378162 -2.1830994 -0.0165129 0.0068828 0.0769138 -1.5368760 37 O -1.5443387 0.0293473 -0.0149037 0.0378162 -2.1830994 0.0165129 0.0068828 -0.0769138 -1.5368760 38 O -1.5443387 -0.0293473 0.0149037 -0.0378162 -2.1830994 0.0165129 -0.0068828 -0.0769138 -1.5368760 39 O -1.5443387 0.0293473 0.0149037 0.0378162 -2.1830994 -0.0165129 -0.0068828 0.0769138 -1.5368760 40 O -1.5443387 -0.0293473 -0.0149037 -0.0378162 -2.1830994 -0.0165129 0.0068828 0.0769138 -1.5368760 41 O -1.5152411 0.0242513 0.0828380 0.0417370 -1.6306481 0.3473531 0.0650433 0.3630272 -1.9627197 42 O -1.5152411 -0.0242513 -0.0828380 -0.0417370 -1.6306481 0.3473531 -0.0650433 0.3630272 -1.9627197 43 O -1.5152411 0.0242513 -0.0828380 0.0417370 -1.6306481 -0.3473531 -0.0650433 -0.3630272 -1.9627197 44 O -1.5152411 -0.0242513 0.0828380 -0.0417370 -1.6306481 -0.3473531 0.0650433 -0.3630272 -1.9627197 45 O -1.5152411 0.0242513 0.0828380 0.0417370 -1.6306481 0.3473531 0.0650433 0.3630272 -1.9627197 46 O -1.5152411 -0.0242513 -0.0828380 -0.0417370 -1.6306481 0.3473531 -0.0650433 0.3630272 -1.9627197 47 O -1.5152411 0.0242513 -0.0828380 0.0417370 -1.6306481 -0.3473531 -0.0650433 -0.3630272 -1.9627197 48 O -1.5312779 -0.0092631 -0.0468919 -0.0293825 -2.2353219 -0.0086805 -0.0081038 -0.1136938 -1.5459516 49 Mg 2.0122961 0.0086345 -0.0190068 -0.0121980 2.2163032 -0.0012037 -0.0148639 -0.0197812 2.1975182 50 Mg 2.0122961 -0.0086345 0.0190068 0.0121980 2.2163032 -0.0012037 0.0148639 -0.0197812 2.1975182 51 Mg 2.0122961 0.0086345 0.0190068 -0.0121980 2.2163032 0.0012037 0.0148639 0.0197812 2.1975182 52 Mg 2.0122961 -0.0086345 -0.0190068 0.0121980 2.2163032 0.0012037 -0.0148639 0.0197812 2.1975182 53 Mg 2.0122961 0.0086345 -0.0190068 -0.0121980 2.2163032 -0.0012037 -0.0148639 -0.0197812 2.1975182 54 Mg 2.0122961 -0.0086345 0.0190068 0.0121980 2.2163032 -0.0012037 0.0148639 -0.0197812 2.1975182 55 Mg 2.0122961 0.0086345 0.0190068 -0.0121980 2.2163032 0.0012037 0.0148639 0.0197812 2.1975182 56 Mg 2.0122961 -0.0086345 -0.0190068 0.0121980 2.2163032 0.0012037 -0.0148639 0.0197812 2.1975182 57 Mg 2.0738289 -0.0208634 0.1064929 -0.0375507 2.2328556 -0.0130219 0.0755212 -0.0026740 2.1345173 58 Mg 2.0738289 0.0208634 -0.1064929 0.0375507 2.2328556 -0.0130219 -0.0755212 -0.0026740 2.1345173 59 Mg 2.0738289 -0.0208634 -0.1064929 -0.0375507 2.2328556 0.0130219 -0.0755212 0.0026740 2.1345173 60 Mg 2.0738289 0.0208634 0.1064929 0.0375507 2.2328556 0.0130219 0.0755212 0.0026740 2.1345173 61 Mg 2.0738289 -0.0208634 0.1064929 -0.0375507 2.2328556 -0.0130219 0.0755212 -0.0026740 2.1345173 62 Mg 2.0738289 0.0208634 -0.1064929 0.0375507 2.2328556 -0.0130219 -0.0755212 -0.0026740 2.1345173 63 Mg 2.0738289 -0.0208634 -0.1064929 -0.0375507 2.2328556 0.0130219 -0.0755212 0.0026740 2.1345173 64 Mg 2.0738289 0.0208634 0.1064929 0.0375507 2.2328556 0.0130219 0.0755212 0.0026740 2.1345173 65 Si 3.3182359 -0.0477489 0.2161515 -0.0661957 2.9942864 -0.1496993 0.0392950 0.0462070 3.0748825 66 Si 3.3182359 0.0477489 -0.2161515 0.0661957 2.9942864 -0.1496993 -0.0392950 0.0462070 3.0748825 67 Si 3.3182359 -0.0477489 -0.2161515 -0.0661957 2.9942864 0.1496993 -0.0392950 -0.0462070 3.0748825 68 Si 3.3182359 0.0477489 0.2161515 0.0661957 2.9942864 0.1496993 0.0392950 -0.0462070 3.0748825 69 Si 3.3182359 -0.0477489 0.2161515 -0.0661957 2.9942864 -0.1496993 0.0392950 0.0462070 3.0748825 70 Si 3.3182359 0.0477489 -0.2161515 0.0661957 2.9942864 -0.1496993 -0.0392950 0.0462070 3.0748825 71 Si 3.3182359 -0.0477489 -0.2161515 -0.0661957 2.9942864 0.1496993 -0.0392950 -0.0462070 3.0748825 72 Si 3.3182359 0.0477489 0.2161515 0.0661957 2.9942864 0.1496993 0.0392950 -0.0462070 3.0748825 73 Si 3.3944010 -0.0688132 0.1821565 -0.0769545 2.9772787 0.1190943 -0.0899103 -0.0551293 2.9133408 74 Si 3.3944010 0.0688132 -0.1821565 0.0769545 2.9772787 0.1190943 0.0899103 -0.0551293 2.9133408 75 Si 3.3944010 -0.0688132 -0.1821565 -0.0769545 2.9772787 -0.1190943 0.0899103 0.0551293 2.9133408 76 Si 3.3944010 0.0688132 0.1821565 0.0769545 2.9772787 -0.1190943 -0.0899103 0.0551293 2.9133408 77 Si 3.3944010 -0.0688132 0.1821565 -0.0769545 2.9772787 0.1190943 -0.0899103 -0.0551293 2.9133408 78 Si 3.3944010 0.0688132 -0.1821565 0.0769545 2.9772787 0.1190943 0.0899103 -0.0551293 2.9133408 79 Si 3.3944010 -0.0688132 -0.1821565 -0.0769545 2.9772787 -0.1190943 0.0899103 0.0551293 2.9133408 80 Si 3.3944010 0.0688132 0.1821565 0.0769545 2.9772787 -0.1190943 -0.0899103 0.0551293 2.9133408 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 20, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) 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 2026-01-07 21:04:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:04:21]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.186769640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.287060599999997 0.000000000000000 c 0.000000000000000 0.000000000000000 8.828563589999998 Atomic positions (fractional): 1 O 0.89136012837438 0.05298018357085 0.80736624247123 15.999 2 O 0.39136012837438 0.44701981642915 0.19263375752877 15.999 3 O 0.60863987162562 0.94701981642915 0.30736624247123 15.999 4 O 0.10863987162562 0.55298018357085 0.69263375752877 15.999 5 O 0.10863987162562 0.94701981642915 0.19263375752877 15.999 6 O 0.60863987162562 0.55298018357085 0.80736624247123 15.999 7 O 0.39136012837438 0.05298018357085 0.69263375752877 15.999 8 O 0.89136012837438 0.44701981642915 0.30736624247123 15.999 9 O 0.81323390462600 0.06749260376331 0.51693648814028 15.999 10 O 0.31323390462600 0.43250739623669 0.48306351185972 15.999 11 O 0.68676609537400 0.93250739623669 0.01693648814028 15.999 12 O 0.18676609537400 0.56749260376331 0.98306351185972 15.999 13 O 0.18676609537400 0.93250739623669 0.48306351185972 15.999 14 O 0.68676609537400 0.56749260376331 0.51693648814028 15.999 15 O 0.31323390462600 0.06749260376331 0.98306351185972 15.999 16 O 0.81323390462600 0.43250739623669 0.01693648814028 15.999 17 O 0.69693848467094 0.93755341398980 0.66010990141972 15.999 18 O 0.19693848467094 0.56244658601020 0.33989009858028 15.999 19 O 0.80306151532906 0.06244658601020 0.16010990141972 15.999 20 O 0.46121860143985 0.18896429543850 0.49615904351021 15.999 21 O 0.30306151532906 0.43755341398980 0.83989009858028 15.999 22 O 0.80306151532906 0.43755341398980 0.66010990141972 15.999 23 O 0.19693848467094 0.93755341398980 0.83989009858028 15.999 24 O 0.69693848467094 0.56244658601020 0.16010990141972 15.999 25 O 0.66998010059883 0.19672079934799 0.77914879598810 15.999 26 O 0.16998010059883 0.30327920065201 0.22085120401190 15.999 27 O 0.83001989940117 0.80327920065201 0.27914879598810 15.999 28 O 0.33001989940117 0.69672079934799 0.72085120401190 15.999 29 O 0.33001989940117 0.80327920065201 0.22085120401190 15.999 30 O 0.83001989940117 0.69672079934799 0.77914879598810 15.999 31 O 0.16998010059883 0.19672079934799 0.72085120401190 15.999 32 O 0.66998010059883 0.30327920065201 0.27914879598810 15.999 33 O 0.47100339494687 0.18274615664903 0.15946963348096 15.999 34 O 0.97100339494687 0.31725384335097 0.84053036651904 15.999 35 O 0.02899660505313 0.81725384335097 0.65946963348096 15.999 36 O 0.52899660505313 0.68274615664903 0.34053036651904 15.999 37 O 0.52899660505313 0.81725384335097 0.84053036651904 15.999 38 O 0.02899660505313 0.68274615664903 0.15946963348096 15.999 39 O 0.97100339494687 0.18274615664903 0.34053036651904 15.999 40 O 0.47100339494687 0.31725384335097 0.65946963348096 15.999 41 O 0.46121860143985 0.31103570456150 0.99615904351021 15.999 42 O 0.96121860143986 0.18896429543850 0.00384095648980 15.999 43 O 0.03878139856014 0.68896429543850 0.49615904351021 15.999 44 O 0.53878139856014 0.81103570456150 0.50384095648979 15.999 45 O 0.53878139856014 0.68896429543850 0.00384095648980 15.999 46 O 0.03878139856014 0.81103570456150 0.99615904351021 15.999 47 O 0.96121860143986 0.31103570456150 0.50384095648979 15.999 48 O 0.30306151532906 0.06244658601020 0.33989009858028 15.999 49 Mg 0.63828974572195 0.37603863533988 0.84505526937651 24.305 50 Mg 0.13828974572195 0.12396136466013 0.15494473062349 24.305 51 Mg 0.86171025427805 0.62396136466013 0.34505526937651 24.305 52 Mg 0.36171025427805 0.87603863533987 0.65494473062349 24.305 53 Mg 0.36171025427805 0.62396136466013 0.15494473062349 24.305 54 Mg 0.86171025427805 0.87603863533987 0.84505526937651 24.305 55 Mg 0.13828974572195 0.37603863533988 0.65494473062349 24.305 56 Mg 0.63828974572195 0.12396136466013 0.34505526937651 24.305 57 Mg 0.14566348429611 0.37702764106894 0.01429926967764 24.305 58 Mg 0.64566348429611 0.12297235893106 0.98570073032236 24.305 59 Mg 0.35433651570389 0.62297235893106 0.51429926967764 24.305 60 Mg 0.85433651570389 0.87702764106894 0.48570073032236 24.305 61 Mg 0.85433651570389 0.62297235893106 0.98570073032236 24.305 62 Mg 0.35433651570389 0.87702764106894 0.01429926967764 24.305 63 Mg 0.64566348429611 0.37702764106894 0.48570073032236 24.305 64 Mg 0.14566348429611 0.12297235893106 0.51429926967764 24.305 65 Si 0.45352886549585 0.27134964441236 0.15766220844707 28.085 66 Si 0.95352886549585 0.22865035558763 0.84233779155293 28.085 67 Si 0.04647113450415 0.72865035558764 0.65766220844707 28.085 68 Si 0.54647113450415 0.77134964441236 0.34233779155293 28.085 69 Si 0.54647113450415 0.72865035558764 0.84233779155293 28.085 70 Si 0.04647113450415 0.77134964441236 0.15766220844707 28.085 71 Si 0.95352886549585 0.27134964441236 0.34233779155293 28.085 72 Si 0.45352886549585 0.22865035558763 0.65766220844707 28.085 73 Si 0.69912469399863 0.47331911762586 0.16249897498310 28.085 74 Si 0.19912469399863 0.02668088237414 0.83750102501690 28.085 75 Si 0.80087530600137 0.52668088237414 0.66249897498310 28.085 76 Si 0.30087530600137 0.97331911762586 0.33750102501690 28.085 77 Si 0.30087530600137 0.52668088237414 0.83750102501690 28.085 78 Si 0.80087530600137 0.97331911762586 0.16249897498310 28.085 79 Si 0.19912469399863 0.47331911762586 0.33750102501690 28.085 80 Si 0.69912469399863 0.02668088237414 0.66249897498310 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 5.186769640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.287060599999997 0.000000000000000 c 0.000000000000000 0.000000000000000 8.828563589999998 Atomic positions (fractional): 1 O 0.89136012837438 0.05298018357085 0.80736624247123 15.999 > 1 2 O 0.39136012837438 0.44701981642915 0.19263375752877 15.999 > 2 3 O 0.60863987162562 0.94701981642915 0.30736624247123 15.999 > 3 4 O 0.10863987162562 0.55298018357085 0.69263375752877 15.999 > 4 5 O 0.10863987162562 0.94701981642915 0.19263375752877 15.999 > 5 6 O 0.60863987162562 0.55298018357085 0.80736624247123 15.999 > 6 7 O 0.39136012837438 0.05298018357085 0.69263375752877 15.999 > 7 8 O 0.89136012837438 0.44701981642915 0.30736624247123 15.999 > 8 9 O 0.81323390462600 0.06749260376331 0.51693648814028 15.999 > 9 10 O 0.31323390462600 0.43250739623669 0.48306351185972 15.999 > 10 11 O 0.68676609537400 0.93250739623669 0.01693648814028 15.999 > 11 12 O 0.18676609537400 0.56749260376331 0.98306351185972 15.999 > 12 13 O 0.18676609537400 0.93250739623669 0.48306351185972 15.999 > 13 14 O 0.68676609537400 0.56749260376331 0.51693648814028 15.999 > 14 15 O 0.31323390462600 0.06749260376331 0.98306351185972 15.999 > 15 16 O 0.81323390462600 0.43250739623669 0.01693648814028 15.999 > 16 17 O 0.69693848467094 0.93755341398980 0.66010990141972 15.999 > 17 18 O 0.19693848467094 0.56244658601020 0.33989009858028 15.999 > 18 19 O 0.80306151532906 0.06244658601020 0.16010990141972 15.999 > 19 20 O 0.46121860143985 0.18896429543850 0.49615904351021 15.999 > 20 21 O 0.30306151532906 0.43755341398980 0.83989009858028 15.999 > 21 22 O 0.80306151532906 0.43755341398980 0.66010990141972 15.999 > 22 23 O 0.19693848467094 0.93755341398980 0.83989009858028 15.999 > 23 24 O 0.69693848467094 0.56244658601020 0.16010990141972 15.999 > 24 25 O 0.66998010059883 0.19672079934799 0.77914879598810 15.999 > 25 26 O 0.16998010059883 0.30327920065201 0.22085120401190 15.999 > 26 27 O 0.83001989940117 0.80327920065201 0.27914879598810 15.999 > 27 28 O 0.33001989940117 0.69672079934799 0.72085120401190 15.999 > 28 29 O 0.33001989940117 0.80327920065201 0.22085120401190 15.999 > 29 30 O 0.83001989940117 0.69672079934799 0.77914879598810 15.999 > 30 31 O 0.16998010059883 0.19672079934799 0.72085120401190 15.999 > 31 32 O 0.66998010059883 0.30327920065201 0.27914879598810 15.999 > 32 33 O 0.47100339494687 0.18274615664903 0.15946963348096 15.999 > 33 34 O 0.97100339494687 0.31725384335097 0.84053036651904 15.999 > 34 35 O 0.02899660505313 0.81725384335097 0.65946963348096 15.999 > 35 36 O 0.52899660505313 0.68274615664903 0.34053036651904 15.999 > 36 37 O 0.52899660505313 0.81725384335097 0.84053036651904 15.999 > 37 38 O 0.02899660505313 0.68274615664903 0.15946963348096 15.999 > 38 39 O 0.97100339494687 0.18274615664903 0.34053036651904 15.999 > 39 40 O 0.47100339494687 0.31725384335097 0.65946963348096 15.999 > 40 41 O 0.46121860143985 0.31103570456150 0.99615904351021 15.999 > 41 42 O 0.96121860143986 0.18896429543850 0.00384095648980 15.999 > 42 43 O 0.03878139856014 0.68896429543850 0.49615904351021 15.999 > 43 44 O 0.53878139856014 0.81103570456150 0.50384095648979 15.999 > 44 45 O 0.53878139856014 0.68896429543850 0.00384095648980 15.999 > 45 46 O 0.03878139856014 0.81103570456150 0.99615904351021 15.999 > 46 47 O 0.96121860143986 0.31103570456150 0.50384095648979 15.999 > 47 48 O 0.30306151532906 0.06244658601020 0.33989009858028 15.999 > 48 49 Mg 0.63828974572195 0.37603863533988 0.84505526937651 24.305 > 49 50 Mg 0.13828974572195 0.12396136466013 0.15494473062349 24.305 > 50 51 Mg 0.86171025427805 0.62396136466013 0.34505526937651 24.305 > 51 52 Mg 0.36171025427805 0.87603863533987 0.65494473062349 24.305 > 52 53 Mg 0.36171025427805 0.62396136466013 0.15494473062349 24.305 > 53 54 Mg 0.86171025427805 0.87603863533987 0.84505526937651 24.305 > 54 55 Mg 0.13828974572195 0.37603863533988 0.65494473062349 24.305 > 55 56 Mg 0.63828974572195 0.12396136466013 0.34505526937651 24.305 > 56 57 Mg 0.14566348429611 0.37702764106894 0.01429926967764 24.305 > 57 58 Mg 0.64566348429611 0.12297235893106 0.98570073032236 24.305 > 58 59 Mg 0.35433651570389 0.62297235893106 0.51429926967764 24.305 > 59 60 Mg 0.85433651570389 0.87702764106894 0.48570073032236 24.305 > 60 61 Mg 0.85433651570389 0.62297235893106 0.98570073032236 24.305 > 61 62 Mg 0.35433651570389 0.87702764106894 0.01429926967764 24.305 > 62 63 Mg 0.64566348429611 0.37702764106894 0.48570073032236 24.305 > 63 64 Mg 0.14566348429611 0.12297235893106 0.51429926967764 24.305 > 64 65 Si 0.45352886549585 0.27134964441236 0.15766220844707 28.085 > 65 66 Si 0.95352886549585 0.22865035558763 0.84233779155293 28.085 > 66 67 Si 0.04647113450415 0.72865035558764 0.65766220844707 28.085 > 67 68 Si 0.54647113450415 0.77134964441236 0.34233779155293 28.085 > 68 69 Si 0.54647113450415 0.72865035558764 0.84233779155293 28.085 > 69 70 Si 0.04647113450415 0.77134964441236 0.15766220844707 28.085 > 70 71 Si 0.95352886549585 0.27134964441236 0.34233779155293 28.085 > 71 72 Si 0.45352886549585 0.22865035558763 0.65766220844707 28.085 > 72 73 Si 0.69912469399863 0.47331911762586 0.16249897498310 28.085 > 73 74 Si 0.19912469399863 0.02668088237414 0.83750102501690 28.085 > 74 75 Si 0.80087530600137 0.52668088237414 0.66249897498310 28.085 > 75 76 Si 0.30087530600137 0.97331911762586 0.33750102501690 28.085 > 76 77 Si 0.30087530600137 0.52668088237414 0.83750102501690 28.085 > 77 78 Si 0.80087530600137 0.97331911762586 0.16249897498310 28.085 > 78 79 Si 0.19912469399863 0.47331911762586 0.33750102501690 28.085 > 79 80 Si 0.69912469399863 0.02668088237414 0.66249897498310 28.085 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9365722 0.0000000 0.0000000 0.0000000 2.9099015 0.0000000 0.0000000 0.0000000 2.9090820 -------------------------- Born effective charges -------------------------- 1 O -2.3534226 0.1040329 -0.5150484 0.1176770 -1.3662185 -0.1677823 -0.5150430 -0.1462073 -1.6862079 2 O -2.3534226 -0.1040329 0.5150484 -0.1176770 -1.3662185 -0.1677823 0.5150430 -0.1462073 -1.6862079 3 O -2.3534226 0.1040329 0.5150484 0.1176770 -1.3662185 0.1677823 0.5150430 0.1462073 -1.6862079 4 O -2.3534226 -0.1040329 -0.5150484 -0.1176770 -1.3662185 0.1677823 -0.5150430 0.1462073 -1.6862079 5 O -2.3534226 0.1040329 -0.5150484 0.1176770 -1.3662185 -0.1677823 -0.5150430 -0.1462073 -1.6862079 6 O -2.3534226 -0.1040329 0.5150484 -0.1176770 -1.3662185 -0.1677823 0.5150430 -0.1462073 -1.6862079 7 O -2.3534226 0.1040329 0.5150484 0.1176770 -1.3662185 0.1677823 0.5150430 0.1462073 -1.6862079 8 O -2.3534226 -0.1040329 -0.5150484 -0.1176770 -1.3662185 0.1677823 -0.5150430 0.1462073 -1.6862079 9 O -1.6227522 -0.1615361 0.0491501 -0.1725156 -1.5702278 0.3569005 0.1698998 0.3598125 -1.8640146 10 O -1.6227522 0.1615361 -0.0491501 0.1725156 -1.5702278 0.3569005 -0.1698998 0.3598125 -1.8640146 11 O -1.6227522 -0.1615361 -0.0491501 -0.1725156 -1.5702278 -0.3569005 -0.1698998 -0.3598125 -1.8640146 12 O -1.6227522 0.1615361 0.0491501 0.1725156 -1.5702278 -0.3569005 0.1698998 -0.3598125 -1.8640146 13 O -1.6227522 -0.1615361 0.0491501 -0.1725156 -1.5702278 0.3569005 0.1698998 0.3598125 -1.8640146 14 O -1.6227522 0.1615361 -0.0491501 0.1725156 -1.5702278 0.3569005 -0.1698998 0.3598125 -1.8640146 15 O -1.6227522 -0.1615361 -0.0491501 -0.1725156 -1.5702278 -0.3569005 -0.1698998 -0.3598125 -1.8640146 16 O -1.6227522 0.1615361 0.0491501 0.1725156 -1.5702278 -0.3569005 0.1698998 -0.3598125 -1.8640146 17 O -1.5312779 -0.0092631 -0.0468919 -0.0293825 -2.2353219 -0.0086805 -0.0081038 -0.1136938 -1.5459516 18 O -1.5312779 0.0092631 0.0468919 0.0293825 -2.2353219 -0.0086805 0.0081038 -0.1136938 -1.5459516 19 O -1.5312779 -0.0092631 0.0468919 -0.0293825 -2.2353219 0.0086805 0.0081038 0.1136938 -1.5459516 20 O -1.5152411 -0.0242513 0.0828380 -0.0417370 -1.6306481 -0.3473531 0.0650433 -0.3630272 -1.9627197 21 O -1.5312779 0.0092631 -0.0468919 0.0293825 -2.2353219 0.0086805 -0.0081038 0.1136938 -1.5459516 22 O -1.5312779 0.0092631 0.0468919 0.0293825 -2.2353219 -0.0086805 0.0081038 -0.1136938 -1.5459516 23 O -1.5312779 -0.0092631 0.0468919 -0.0293825 -2.2353219 0.0086805 0.0081038 0.1136938 -1.5459516 24 O -1.5312779 0.0092631 -0.0468919 0.0293825 -2.2353219 0.0086805 -0.0081038 0.1136938 -1.5459516 25 O -2.2317294 -0.0343775 -0.7378950 -0.0424719 -1.4352082 0.1810409 -0.6282123 0.1395169 -1.7244889 26 O -2.2317294 0.0343775 0.7378950 0.0424719 -1.4352082 0.1810409 0.6282123 0.1395169 -1.7244889 27 O -2.2317294 -0.0343775 0.7378950 -0.0424719 -1.4352082 -0.1810409 0.6282123 -0.1395169 -1.7244889 28 O -2.2317294 0.0343775 -0.7378950 0.0424719 -1.4352082 -0.1810409 -0.6282123 -0.1395169 -1.7244889 29 O -2.2317294 -0.0343775 -0.7378950 -0.0424719 -1.4352082 0.1810409 -0.6282123 0.1395169 -1.7244889 30 O -2.2317294 0.0343775 0.7378950 0.0424719 -1.4352082 0.1810409 0.6282123 0.1395169 -1.7244889 31 O -2.2317294 -0.0343775 0.7378950 -0.0424719 -1.4352082 -0.1810409 0.6282123 -0.1395169 -1.7244889 32 O -2.2317294 0.0343775 -0.7378950 0.0424719 -1.4352082 -0.1810409 -0.6282123 -0.1395169 -1.7244889 33 O -1.5443387 0.0293473 -0.0149037 0.0378162 -2.1830994 0.0165129 0.0068828 -0.0769138 -1.5368760 34 O -1.5443387 -0.0293473 0.0149037 -0.0378162 -2.1830994 0.0165129 -0.0068828 -0.0769138 -1.5368760 35 O -1.5443387 0.0293473 0.0149037 0.0378162 -2.1830994 -0.0165129 -0.0068828 0.0769138 -1.5368760 36 O -1.5443387 -0.0293473 -0.0149037 -0.0378162 -2.1830994 -0.0165129 0.0068828 0.0769138 -1.5368760 37 O -1.5443387 0.0293473 -0.0149037 0.0378162 -2.1830994 0.0165129 0.0068828 -0.0769138 -1.5368760 38 O -1.5443387 -0.0293473 0.0149037 -0.0378162 -2.1830994 0.0165129 -0.0068828 -0.0769138 -1.5368760 39 O -1.5443387 0.0293473 0.0149037 0.0378162 -2.1830994 -0.0165129 -0.0068828 0.0769138 -1.5368760 40 O -1.5443387 -0.0293473 -0.0149037 -0.0378162 -2.1830994 -0.0165129 0.0068828 0.0769138 -1.5368760 41 O -1.5152411 0.0242513 0.0828380 0.0417370 -1.6306481 0.3473531 0.0650433 0.3630272 -1.9627197 42 O -1.5152411 -0.0242513 -0.0828380 -0.0417370 -1.6306481 0.3473531 -0.0650433 0.3630272 -1.9627197 43 O -1.5152411 0.0242513 -0.0828380 0.0417370 -1.6306481 -0.3473531 -0.0650433 -0.3630272 -1.9627197 44 O -1.5152411 -0.0242513 0.0828380 -0.0417370 -1.6306481 -0.3473531 0.0650433 -0.3630272 -1.9627197 45 O -1.5152411 0.0242513 0.0828380 0.0417370 -1.6306481 0.3473531 0.0650433 0.3630272 -1.9627197 46 O -1.5152411 -0.0242513 -0.0828380 -0.0417370 -1.6306481 0.3473531 -0.0650433 0.3630272 -1.9627197 47 O -1.5152411 0.0242513 -0.0828380 0.0417370 -1.6306481 -0.3473531 -0.0650433 -0.3630272 -1.9627197 48 O -1.5312779 -0.0092631 -0.0468919 -0.0293825 -2.2353219 -0.0086805 -0.0081038 -0.1136938 -1.5459516 49 Mg 2.0122961 0.0086345 -0.0190068 -0.0121980 2.2163032 -0.0012037 -0.0148639 -0.0197812 2.1975182 50 Mg 2.0122961 -0.0086345 0.0190068 0.0121980 2.2163032 -0.0012037 0.0148639 -0.0197812 2.1975182 51 Mg 2.0122961 0.0086345 0.0190068 -0.0121980 2.2163032 0.0012037 0.0148639 0.0197812 2.1975182 52 Mg 2.0122961 -0.0086345 -0.0190068 0.0121980 2.2163032 0.0012037 -0.0148639 0.0197812 2.1975182 53 Mg 2.0122961 0.0086345 -0.0190068 -0.0121980 2.2163032 -0.0012037 -0.0148639 -0.0197812 2.1975182 54 Mg 2.0122961 -0.0086345 0.0190068 0.0121980 2.2163032 -0.0012037 0.0148639 -0.0197812 2.1975182 55 Mg 2.0122961 0.0086345 0.0190068 -0.0121980 2.2163032 0.0012037 0.0148639 0.0197812 2.1975182 56 Mg 2.0122961 -0.0086345 -0.0190068 0.0121980 2.2163032 0.0012037 -0.0148639 0.0197812 2.1975182 57 Mg 2.0738289 -0.0208634 0.1064929 -0.0375507 2.2328556 -0.0130219 0.0755212 -0.0026740 2.1345173 58 Mg 2.0738289 0.0208634 -0.1064929 0.0375507 2.2328556 -0.0130219 -0.0755212 -0.0026740 2.1345173 59 Mg 2.0738289 -0.0208634 -0.1064929 -0.0375507 2.2328556 0.0130219 -0.0755212 0.0026740 2.1345173 60 Mg 2.0738289 0.0208634 0.1064929 0.0375507 2.2328556 0.0130219 0.0755212 0.0026740 2.1345173 61 Mg 2.0738289 -0.0208634 0.1064929 -0.0375507 2.2328556 -0.0130219 0.0755212 -0.0026740 2.1345173 62 Mg 2.0738289 0.0208634 -0.1064929 0.0375507 2.2328556 -0.0130219 -0.0755212 -0.0026740 2.1345173 63 Mg 2.0738289 -0.0208634 -0.1064929 -0.0375507 2.2328556 0.0130219 -0.0755212 0.0026740 2.1345173 64 Mg 2.0738289 0.0208634 0.1064929 0.0375507 2.2328556 0.0130219 0.0755212 0.0026740 2.1345173 65 Si 3.3182359 -0.0477489 0.2161515 -0.0661957 2.9942864 -0.1496993 0.0392950 0.0462070 3.0748825 66 Si 3.3182359 0.0477489 -0.2161515 0.0661957 2.9942864 -0.1496993 -0.0392950 0.0462070 3.0748825 67 Si 3.3182359 -0.0477489 -0.2161515 -0.0661957 2.9942864 0.1496993 -0.0392950 -0.0462070 3.0748825 68 Si 3.3182359 0.0477489 0.2161515 0.0661957 2.9942864 0.1496993 0.0392950 -0.0462070 3.0748825 69 Si 3.3182359 -0.0477489 0.2161515 -0.0661957 2.9942864 -0.1496993 0.0392950 0.0462070 3.0748825 70 Si 3.3182359 0.0477489 -0.2161515 0.0661957 2.9942864 -0.1496993 -0.0392950 0.0462070 3.0748825 71 Si 3.3182359 -0.0477489 -0.2161515 -0.0661957 2.9942864 0.1496993 -0.0392950 -0.0462070 3.0748825 72 Si 3.3182359 0.0477489 0.2161515 0.0661957 2.9942864 0.1496993 0.0392950 -0.0462070 3.0748825 73 Si 3.3944010 -0.0688132 0.1821565 -0.0769545 2.9772787 0.1190943 -0.0899103 -0.0551293 2.9133408 74 Si 3.3944010 0.0688132 -0.1821565 0.0769545 2.9772787 0.1190943 0.0899103 -0.0551293 2.9133408 75 Si 3.3944010 -0.0688132 -0.1821565 -0.0769545 2.9772787 -0.1190943 0.0899103 0.0551293 2.9133408 76 Si 3.3944010 0.0688132 0.1821565 0.0769545 2.9772787 -0.1190943 -0.0899103 0.0551293 2.9133408 77 Si 3.3944010 -0.0688132 0.1821565 -0.0769545 2.9772787 0.1190943 -0.0899103 -0.0551293 2.9133408 78 Si 3.3944010 0.0688132 -0.1821565 0.0769545 2.9772787 0.1190943 0.0899103 -0.0551293 2.9133408 79 Si 3.3944010 -0.0688132 -0.1821565 -0.0769545 2.9772787 -0.1190943 0.0899103 0.0551293 2.9133408 80 Si 3.3944010 0.0688132 0.1821565 0.0769545 2.9772787 -0.1190943 -0.0899103 0.0551293 2.9133408 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 3 6 ] 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: 0.44, Number of G-points: 291, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.449 ( 0.000 0.000 0.000) 0.000 2.474 ( 0.000 0.000 0.000) 0.000 2.481 ( 0.000 0.000 0.000) 0.000 2.541 ( 0.000 0.000 0.000) 0.000 3.393 ( 0.000 0.000 0.000) 0.000 3.451 ( 0.000 0.000 0.000) 0.000 3.990 ( 0.000 0.000 0.000) 0.000 4.009 ( 0.000 0.000 0.000) 0.000 4.205 ( 0.000 0.000 0.000) 0.000 4.210 ( 0.000 0.000 0.000) 0.000 4.292 ( 0.000 0.000 0.000) 0.000 4.404 ( 0.000 0.000 0.000) 0.000 4.450 ( 0.000 0.000 0.000) 0.000 4.549 ( 0.000 0.000 0.000) 0.000 4.590 ( 0.000 0.000 0.000) 0.000 4.616 ( 0.000 0.000 0.000) 0.000 4.664 ( 0.000 0.000 0.000) 0.000 4.770 ( 0.000 0.000 0.000) 0.000 4.819 ( 0.000 0.000 0.000) 0.000 4.824 ( 0.000 0.000 0.000) 0.000 5.264 ( 0.000 0.000 0.000) 0.000 5.344 ( 0.000 0.000 0.000) 0.000 5.638 ( 0.000 0.000 0.000) 0.000 5.650 ( 0.000 0.000 0.000) 0.000 5.668 ( 0.000 0.000 0.000) 0.000 5.685 ( 0.000 0.000 0.000) 0.000 5.751 ( 0.000 0.000 0.000) 0.000 5.782 ( 0.000 0.000 0.000) 0.000 5.806 ( 0.000 0.000 0.000) 0.000 5.851 ( 0.000 0.000 0.000) 0.000 6.037 ( 0.000 0.000 0.000) 0.000 6.180 ( 0.000 0.000 0.000) 0.000 6.191 ( 0.000 0.000 0.000) 0.000 6.372 ( 0.000 0.000 0.000) 0.000 6.446 ( 0.000 0.000 0.000) 0.000 6.459 ( 0.000 0.000 0.000) 0.000 6.600 ( 0.000 0.000 0.000) 0.000 6.627 ( 0.000 0.000 0.000) 0.000 6.654 ( 0.000 0.000 0.000) 0.000 6.812 ( 0.000 0.000 0.000) 0.000 6.831 ( 0.000 0.000 0.000) 0.000 6.851 ( 0.000 0.000 0.000) 0.000 6.860 ( 0.000 0.000 0.000) 0.000 6.936 ( 0.000 0.000 0.000) 0.000 6.988 ( 0.000 0.000 0.000) 0.000 7.049 ( 0.000 0.000 0.000) 0.000 7.222 ( 0.000 0.000 0.000) 0.000 7.523 ( 0.000 0.000 0.000) 0.000 7.585 ( 0.000 0.000 0.000) 0.000 7.636 ( 0.000 0.000 0.000) 0.000 7.641 ( 0.000 0.000 0.000) 0.000 7.880 ( 0.000 0.000 0.000) 0.000 8.009 ( 0.000 0.000 0.000) 0.000 8.107 ( 0.000 0.000 0.000) 0.000 8.228 ( 0.000 0.000 0.000) 0.000 8.234 ( 0.000 0.000 0.000) 0.000 8.311 ( 0.000 0.000 0.000) 0.000 8.401 ( 0.000 0.000 0.000) 0.000 8.408 ( 0.000 0.000 0.000) 0.000 8.451 ( 0.000 0.000 0.000) 0.000 8.454 ( 0.000 0.000 0.000) 0.000 8.497 ( 0.000 0.000 0.000) 0.000 8.639 ( 0.000 0.000 0.000) 0.000 8.647 ( 0.000 0.000 0.000) 0.000 8.725 ( 0.000 0.000 0.000) 0.000 8.766 ( 0.000 0.000 0.000) 0.000 8.788 ( 0.000 0.000 0.000) 0.000 8.809 ( 0.000 0.000 0.000) 0.000 8.933 ( 0.000 0.000 0.000) 0.000 9.005 ( 0.000 0.000 0.000) 0.000 9.017 ( 0.000 0.000 0.000) 0.000 9.179 ( 0.000 0.000 0.000) 0.000 9.231 ( 0.000 0.000 0.000) 0.000 9.402 ( 0.000 0.000 0.000) 0.000 9.451 ( 0.000 0.000 0.000) 0.000 9.462 ( 0.000 0.000 0.000) 0.000 9.539 ( 0.000 0.000 0.000) 0.000 9.690 ( 0.000 0.000 0.000) 0.000 9.691 ( 0.000 0.000 0.000) 0.000 9.693 ( 0.000 0.000 0.000) 0.000 9.863 ( 0.000 0.000 0.000) 0.000 9.935 ( 0.000 0.000 0.000) 0.000 10.020 ( 0.000 0.000 0.000) 0.000 10.078 ( 0.000 0.000 0.000) 0.000 10.126 ( 0.000 0.000 0.000) 0.000 10.236 ( 0.000 0.000 0.000) 0.000 10.240 ( 0.000 0.000 0.000) 0.000 10.303 ( 0.000 0.000 0.000) 0.000 10.320 ( 0.000 0.000 0.000) 0.000 10.327 ( 0.000 0.000 0.000) 0.000 10.336 ( 0.000 0.000 0.000) 0.000 10.503 ( 0.000 0.000 0.000) 0.000 10.533 ( 0.000 0.000 0.000) 0.000 10.743 ( 0.000 0.000 0.000) 0.000 10.816 ( 0.000 0.000 0.000) 0.000 10.837 ( 0.000 0.000 0.000) 0.000 10.928 ( 0.000 0.000 0.000) 0.000 11.108 ( 0.000 0.000 0.000) 0.000 11.113 ( 0.000 0.000 0.000) 0.000 11.198 ( 0.000 0.000 0.000) 0.000 11.234 ( 0.000 0.000 0.000) 0.000 11.284 ( 0.000 0.000 0.000) 0.000 11.288 ( 0.000 0.000 0.000) 0.000 11.441 ( 0.000 0.000 0.000) 0.000 11.511 ( 0.000 0.000 0.000) 0.000 11.680 ( 0.000 0.000 0.000) 0.000 11.732 ( 0.000 0.000 0.000) 0.000 11.758 ( 0.000 0.000 0.000) 0.000 11.795 ( 0.000 0.000 0.000) 0.000 11.812 ( 0.000 0.000 0.000) 0.000 11.843 ( 0.000 0.000 0.000) 0.000 11.857 ( 0.000 0.000 0.000) 0.000 11.863 ( 0.000 0.000 0.000) 0.000 12.134 ( 0.000 0.000 0.000) 0.000 12.147 ( 0.000 0.000 0.000) 0.000 12.209 ( 0.000 0.000 0.000) 0.000 12.246 ( 0.000 0.000 0.000) 0.000 12.381 ( 0.000 0.000 0.000) 0.000 12.417 ( 0.000 0.000 0.000) 0.000 12.441 ( 0.000 0.000 0.000) 0.000 12.485 ( 0.000 0.000 0.000) 0.000 12.642 ( 0.000 0.000 0.000) 0.000 12.913 ( 0.000 0.000 0.000) 0.000 12.914 ( 0.000 0.000 0.000) 0.000 12.929 ( 0.000 0.000 0.000) 0.000 13.016 ( 0.000 0.000 0.000) 0.000 13.071 ( 0.000 0.000 0.000) 0.000 13.102 ( 0.000 0.000 0.000) 0.000 13.121 ( 0.000 0.000 0.000) 0.000 13.324 ( 0.000 0.000 0.000) 0.000 13.414 ( 0.000 0.000 0.000) 0.000 13.446 ( 0.000 0.000 0.000) 0.000 13.459 ( 0.000 0.000 0.000) 0.000 13.641 ( 0.000 0.000 0.000) 0.000 13.650 ( 0.000 0.000 0.000) 0.000 13.658 ( 0.000 0.000 0.000) 0.000 13.680 ( 0.000 0.000 0.000) 0.000 13.711 ( 0.000 0.000 0.000) 0.000 13.720 ( 0.000 0.000 0.000) 0.000 13.851 ( 0.000 0.000 0.000) 0.000 13.881 ( 0.000 0.000 0.000) 0.000 13.971 ( 0.000 0.000 0.000) 0.000 14.231 ( 0.000 0.000 0.000) 0.000 14.246 ( 0.000 0.000 0.000) 0.000 14.276 ( 0.000 0.000 0.000) 0.000 14.477 ( 0.000 0.000 0.000) 0.000 14.536 ( 0.000 0.000 0.000) 0.000 14.544 ( 0.000 0.000 0.000) 0.000 14.750 ( 0.000 0.000 0.000) 0.000 14.767 ( 0.000 0.000 0.000) 0.000 15.006 ( 0.000 0.000 0.000) 0.000 15.075 ( 0.000 0.000 0.000) 0.000 15.200 ( 0.000 0.000 0.000) 0.000 15.214 ( 0.000 0.000 0.000) 0.000 15.330 ( 0.000 0.000 0.000) 0.000 15.334 ( 0.000 0.000 0.000) 0.000 15.379 ( 0.000 0.000 0.000) 0.000 15.489 ( 0.000 0.000 0.000) 0.000 15.615 ( 0.000 0.000 0.000) 0.000 15.670 ( 0.000 0.000 0.000) 0.000 15.670 ( 0.000 0.000 0.000) 0.000 15.842 ( 0.000 0.000 0.000) 0.000 15.874 ( 0.000 0.000 0.000) 0.000 16.011 ( 0.000 0.000 0.000) 0.000 16.104 ( 0.000 0.000 0.000) 0.000 16.114 ( 0.000 0.000 0.000) 0.000 16.226 ( 0.000 0.000 0.000) 0.000 16.245 ( 0.000 0.000 0.000) 0.000 16.473 ( 0.000 0.000 0.000) 0.000 16.647 ( 0.000 0.000 0.000) 0.000 16.666 ( 0.000 0.000 0.000) 0.000 17.050 ( 0.000 0.000 0.000) 0.000 17.067 ( 0.000 0.000 0.000) 0.000 18.666 ( 0.000 0.000 0.000) 0.000 18.928 ( 0.000 0.000 0.000) 0.000 18.986 ( 0.000 0.000 0.000) 0.000 19.149 ( 0.000 0.000 0.000) 0.000 19.577 ( 0.000 0.000 0.000) 0.000 19.680 ( 0.000 0.000 0.000) 0.000 19.807 ( 0.000 0.000 0.000) 0.000 19.966 ( 0.000 0.000 0.000) 0.000 21.102 ( 0.000 0.000 0.000) 0.000 21.185 ( 0.000 0.000 0.000) 0.000 21.254 ( 0.000 0.000 0.000) 0.000 21.488 ( 0.000 0.000 0.000) 0.000 21.502 ( 0.000 0.000 0.000) 0.000 21.677 ( 0.000 0.000 0.000) 0.000 21.919 ( 0.000 0.000 0.000) 0.000 21.940 ( 0.000 0.000 0.000) 0.000 24.989 ( 0.000 0.000 0.000) 0.000 24.991 ( 0.000 0.000 0.000) 0.000 25.006 ( 0.000 0.000 0.000) 0.000 25.006 ( 0.000 0.000 0.000) 0.000 26.127 ( 0.000 0.000 0.000) 0.000 26.136 ( 0.000 0.000 0.000) 0.000 26.201 ( 0.000 0.000 0.000) 0.000 26.294 ( 0.000 0.000 0.000) 0.000 26.298 ( 0.000 0.000 0.000) 0.000 26.319 ( 0.000 0.000 0.000) 0.000 26.671 ( 0.000 0.000 0.000) 0.000 26.718 ( 0.000 0.000 0.000) 0.000 26.761 ( 0.000 0.000 0.000) 0.000 26.795 ( 0.000 0.000 0.000) 0.000 27.001 ( 0.000 0.000 0.000) 0.000 27.211 ( 0.000 0.000 0.000) 0.000 27.218 ( 0.000 0.000 0.000) 0.000 27.279 ( 0.000 0.000 0.000) 0.000 27.367 ( 0.000 0.000 0.000) 0.000 27.411 ( 0.000 0.000 0.000) 0.000 27.418 ( 0.000 0.000 0.000) 0.000 27.436 ( 0.000 0.000 0.000) 0.000 28.073 ( 0.000 0.000 0.000) 0.000 28.498 ( 0.000 0.000 0.000) 0.000 29.285 ( 0.000 0.000 0.000) 0.000 29.471 ( 0.000 0.000 0.000) 0.000 29.542 ( 0.000 0.000 0.000) 0.000 29.650 ( 0.000 0.000 0.000) 0.000 29.692 ( 0.000 0.000 0.000) 0.000 29.771 ( 0.000 0.000 0.000) 0.000 29.991 ( 0.000 0.000 0.000) 0.000 30.028 ( 0.000 0.000 0.000) 0.000 30.063 ( 0.000 0.000 0.000) 0.000 30.286 ( 0.000 0.000 0.000) 0.000 30.325 ( 0.000 0.000 0.000) 0.000 30.344 ( 0.000 0.000 0.000) 0.000 30.511 ( 0.000 0.000 0.000) 0.000 30.613 ( 0.000 0.000 0.000) 0.000 30.635 ( 0.000 0.000 0.000) 0.000 30.732 ( 0.000 0.000 0.000) 0.000 30.879 ( 0.000 0.000 0.000) 0.000 31.129 ( 0.000 0.000 0.000) 0.000 31.207 ( 0.000 0.000 0.000) 0.000 31.364 ( 0.000 0.000 0.000) 0.000 31.403 ( 0.000 0.000 0.000) 0.000 33.053 ( 0.000 0.000 0.000) 0.000 33.521 ( 0.000 0.000 0.000) 0.000 33.622 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( 26.823 0.000 0.000) 26.823 0.883 ( 45.756 0.000 0.000) 45.756 1.168 ( 61.790 0.000 0.000) 61.790 2.564 ( 5.248 0.000 0.000) 5.248 2.588 ( 13.619 0.000 0.000) 13.619 2.621 ( 14.144 0.000 0.000) 14.144 2.637 ( 9.866 0.000 0.000) 9.866 3.439 ( 4.457 0.000 0.000) 4.457 3.671 ( -1.810 0.000 0.000) 1.810 3.784 ( 25.315 0.000 0.000) 25.315 4.300 ( 12.543 0.000 0.000) 12.543 4.376 ( -2.376 0.000 0.000) 2.376 4.439 ( 28.593 0.000 0.000) 28.593 4.613 ( 33.975 0.000 0.000) 33.975 4.642 ( 4.795 0.000 0.000) 4.795 4.660 ( -0.505 0.000 0.000) 0.505 4.700 ( 8.244 0.000 0.000) 8.244 4.714 ( 27.378 0.000 0.000) 27.378 4.760 ( -1.020 0.000 0.000) 1.020 4.772 ( 17.041 0.000 0.000) 17.041 4.920 ( 37.408 0.000 0.000) 37.408 4.922 ( 10.075 0.000 0.000) 10.075 4.993 ( 23.107 0.000 0.000) 23.107 5.351 ( 11.346 0.000 0.000) 11.346 5.365 ( 1.876 0.000 0.000) 1.876 5.405 ( -4.692 0.000 0.000) 4.692 5.512 ( -6.239 0.000 0.000) 6.239 5.773 ( 6.093 0.000 0.000) 6.093 5.784 ( -2.104 0.000 0.000) 2.104 5.820 ( 3.997 0.000 0.000) 3.997 5.868 ( 9.065 0.000 0.000) 9.065 5.898 ( 12.110 0.000 0.000) 12.110 6.020 ( 11.205 0.000 0.000) 11.205 6.033 ( 0.663 0.000 0.000) 0.663 6.086 ( -8.287 0.000 0.000) 8.287 6.191 ( -0.452 0.000 0.000) 0.452 6.362 ( -1.211 0.000 0.000) 1.211 6.389 ( -5.297 0.000 0.000) 5.297 6.441 ( -0.618 0.000 0.000) 0.618 6.594 ( -5.166 0.000 0.000) 5.166 6.627 ( 0.626 0.000 0.000) 0.626 6.687 ( -9.535 0.000 0.000) 9.535 6.721 ( -7.363 0.000 0.000) 7.363 6.732 ( 7.272 0.000 0.000) 7.272 6.854 ( 3.324 0.000 0.000) 3.324 6.940 ( 6.390 0.000 0.000) 6.390 6.970 ( 1.507 0.000 0.000) 1.507 6.991 ( -6.417 0.000 0.000) 6.417 7.260 ( 13.667 0.000 0.000) 13.667 7.295 ( 6.247 0.000 0.000) 6.247 7.364 ( -11.189 0.000 0.000) 11.189 7.524 ( 2.553 0.000 0.000) 2.553 7.739 ( 7.198 0.000 0.000) 7.198 7.855 ( -2.466 0.000 0.000) 2.466 7.912 ( -6.731 0.000 0.000) 6.731 7.916 ( 16.335 0.000 0.000) 16.335 7.981 ( -7.745 0.000 0.000) 7.745 8.129 ( -9.230 0.000 0.000) 9.230 8.240 ( -10.177 0.000 0.000) 10.177 8.251 ( -1.883 0.000 0.000) 1.883 8.336 ( -8.316 0.000 0.000) 8.316 8.390 ( -0.536 0.000 0.000) 0.536 8.486 ( -2.029 0.000 0.000) 2.029 8.505 ( 2.518 0.000 0.000) 2.518 8.594 ( 15.055 0.000 0.000) 15.055 8.658 ( -0.706 0.000 0.000) 0.706 8.672 ( 3.031 0.000 0.000) 3.031 8.688 ( 3.336 0.000 0.000) 3.336 8.746 ( -6.829 0.000 0.000) 6.829 8.798 ( -1.864 0.000 0.000) 1.864 8.802 ( 2.744 0.000 0.000) 2.744 8.861 ( -12.206 0.000 0.000) 12.206 8.927 ( -0.165 0.000 0.000) 0.165 8.935 ( -5.057 0.000 0.000) 5.057 9.120 ( -6.693 0.000 0.000) 6.693 9.204 ( -2.143 0.000 0.000) 2.143 9.322 ( -11.875 0.000 0.000) 11.875 9.327 ( -11.655 0.000 0.000) 11.655 9.437 ( 3.642 0.000 0.000) 3.642 9.528 ( 1.455 0.000 0.000) 1.455 9.529 ( -18.182 0.000 0.000) 18.182 9.752 ( 5.371 0.000 0.000) 5.371 9.759 ( 5.513 0.000 0.000) 5.513 9.828 ( -7.952 0.000 0.000) 7.952 9.885 ( 2.277 0.000 0.000) 2.277 9.955 ( -9.253 0.000 0.000) 9.253 9.965 ( -5.533 0.000 0.000) 5.533 10.146 ( -4.371 0.000 0.000) 4.371 10.175 ( 2.639 0.000 0.000) 2.639 10.268 ( 3.041 0.000 0.000) 3.041 10.278 ( -4.739 0.000 0.000) 4.739 10.346 ( 1.446 0.000 0.000) 1.446 10.391 ( 6.890 0.000 0.000) 6.890 10.455 ( 11.930 0.000 0.000) 11.930 10.538 ( 4.210 0.000 0.000) 4.210 10.554 ( -0.871 0.000 0.000) 0.871 10.744 ( 0.586 0.000 0.000) 0.586 10.852 ( -1.011 0.000 0.000) 1.011 10.925 ( -1.148 0.000 0.000) 1.148 10.959 ( 8.720 0.000 0.000) 8.720 11.065 ( -4.192 0.000 0.000) 4.192 11.086 ( -3.609 0.000 0.000) 3.609 11.139 ( -2.224 0.000 0.000) 2.224 11.146 ( -14.061 0.000 0.000) 14.061 11.303 ( 2.237 0.000 0.000) 2.237 11.330 ( 1.390 0.000 0.000) 1.390 11.417 ( -0.961 0.000 0.000) 0.961 11.538 ( -0.988 0.000 0.000) 0.988 11.548 ( -12.961 0.000 0.000) 12.961 11.667 ( -12.180 0.000 0.000) 12.180 11.707 ( 3.050 0.000 0.000) 3.050 11.799 ( 0.665 0.000 0.000) 0.665 11.800 ( -2.816 0.000 0.000) 2.816 11.863 ( 9.048 0.000 0.000) 9.048 11.937 ( 6.585 0.000 0.000) 6.585 12.044 ( -5.450 0.000 0.000) 5.450 12.110 ( -3.405 0.000 0.000) 3.405 12.110 ( 5.110 0.000 0.000) 5.110 12.192 ( -4.957 0.000 0.000) 4.957 12.259 ( 7.945 0.000 0.000) 7.945 12.417 ( -4.371 0.000 0.000) 4.371 12.455 ( 3.450 0.000 0.000) 3.450 12.474 ( -1.254 0.000 0.000) 1.254 12.559 ( 7.325 0.000 0.000) 7.325 12.709 ( 6.961 0.000 0.000) 6.961 12.909 ( 3.640 0.000 0.000) 3.640 12.922 ( -8.798 0.000 0.000) 8.798 12.926 ( -0.523 0.000 0.000) 0.523 12.947 ( -2.703 0.000 0.000) 2.703 12.969 ( -5.723 0.000 0.000) 5.723 13.102 ( 2.593 0.000 0.000) 2.593 13.230 ( 12.254 0.000 0.000) 12.254 13.391 ( -5.134 0.000 0.000) 5.134 13.398 ( 8.127 0.000 0.000) 8.127 13.484 ( 2.538 0.000 0.000) 2.538 13.553 ( -4.414 0.000 0.000) 4.414 13.614 ( -2.101 0.000 0.000) 2.101 13.669 ( -5.921 0.000 0.000) 5.921 13.738 ( 5.458 0.000 0.000) 5.458 13.781 ( 13.579 0.000 0.000) 13.579 13.784 ( 6.500 0.000 0.000) 6.500 13.910 ( 3.402 0.000 0.000) 3.402 14.040 ( 16.925 0.000 0.000) 16.925 14.058 ( 7.634 0.000 0.000) 7.634 14.060 ( -11.597 0.000 0.000) 11.597 14.204 ( -1.021 0.000 0.000) 1.021 14.205 ( 29.686 0.000 0.000) 29.686 14.210 ( -10.758 0.000 0.000) 10.758 14.496 ( 2.700 0.000 0.000) 2.700 14.612 ( -2.394 0.000 0.000) 2.394 14.805 ( 4.570 0.000 0.000) 4.570 14.955 ( 18.848 0.000 0.000) 18.848 14.997 ( -1.015 0.000 0.000) 1.015 15.091 ( 5.071 0.000 0.000) 5.071 15.187 ( 1.494 0.000 0.000) 1.494 15.217 ( 2.512 0.000 0.000) 2.512 15.305 ( -1.989 0.000 0.000) 1.989 15.366 ( 6.334 0.000 0.000) 6.334 15.387 ( 4.374 0.000 0.000) 4.374 15.521 ( 9.928 0.000 0.000) 9.928 15.626 ( 2.224 0.000 0.000) 2.224 15.679 ( 0.753 0.000 0.000) 0.753 15.753 ( 8.004 0.000 0.000) 8.004 15.843 ( -2.691 0.000 0.000) 2.691 15.900 ( 5.484 0.000 0.000) 5.484 15.984 ( -1.548 0.000 0.000) 1.548 16.018 ( -2.505 0.000 0.000) 2.505 16.208 ( -3.935 0.000 0.000) 3.935 16.253 ( 2.430 0.000 0.000) 2.430 16.254 ( 8.078 0.000 0.000) 8.078 16.426 ( 3.022 0.000 0.000) 3.022 16.542 ( -10.952 0.000 0.000) 10.952 16.563 ( -9.480 0.000 0.000) 9.480 16.955 ( -9.577 0.000 0.000) 9.577 16.983 ( -8.565 0.000 0.000) 8.565 17.812 ( -5.273 0.000 0.000) 5.273 18.580 ( -9.062 0.000 0.000) 9.062 18.904 ( -6.353 0.000 0.000) 6.353 18.982 ( -7.773 0.000 0.000) 7.773 19.087 ( -6.961 0.000 0.000) 6.961 19.589 ( 0.842 0.000 0.000) 0.842 19.656 ( -1.749 0.000 0.000) 1.749 19.709 ( -8.396 0.000 0.000) 8.396 20.113 ( -8.894 0.000 0.000) 8.894 20.990 ( -11.381 0.000 0.000) 11.381 21.059 ( -12.775 0.000 0.000) 12.775 21.177 ( -8.178 0.000 0.000) 8.178 21.377 ( -11.595 0.000 0.000) 11.595 21.417 ( -8.691 0.000 0.000) 8.691 21.562 ( -11.681 0.000 0.000) 11.681 21.825 ( -9.775 0.000 0.000) 9.775 21.832 ( -11.029 0.000 0.000) 11.029 25.070 ( 7.509 0.000 0.000) 7.509 25.082 ( 7.493 0.000 0.000) 7.493 25.239 ( 21.876 0.000 0.000) 21.876 25.974 ( 7.542 0.000 0.000) 7.542 26.139 ( 0.448 0.000 0.000) 0.448 26.145 ( 1.906 0.000 0.000) 1.906 26.223 ( 1.925 0.000 0.000) 1.925 26.277 ( -1.789 0.000 0.000) 1.789 26.322 ( 0.797 0.000 0.000) 0.797 26.323 ( 3.027 0.000 0.000) 3.027 26.719 ( 4.886 0.000 0.000) 4.886 26.746 ( 2.199 0.000 0.000) 2.199 26.781 ( 2.445 0.000 0.000) 2.445 26.846 ( 2.942 0.000 0.000) 2.942 27.017 ( 3.550 0.000 0.000) 3.550 27.231 ( 1.724 0.000 0.000) 1.724 27.246 ( -1.035 0.000 0.000) 1.035 27.354 ( -2.947 0.000 0.000) 2.947 27.454 ( 4.474 0.000 0.000) 4.474 27.496 ( 10.740 0.000 0.000) 10.740 27.526 ( 10.098 0.000 0.000) 10.098 28.059 ( -1.289 0.000 0.000) 1.289 28.376 ( -1.926 0.000 0.000) 1.926 29.087 ( -9.166 0.000 0.000) 9.166 29.339 ( -13.082 0.000 0.000) 13.082 29.491 ( -5.615 0.000 0.000) 5.615 29.609 ( -4.064 0.000 0.000) 4.064 29.658 ( -3.479 0.000 0.000) 3.479 29.683 ( -9.203 0.000 0.000) 9.203 29.893 ( -10.481 0.000 0.000) 10.481 29.980 ( -4.717 0.000 0.000) 4.717 29.998 ( 0.702 0.000 0.000) 0.702 30.045 ( -2.224 0.000 0.000) 2.224 30.315 ( 3.003 0.000 0.000) 3.003 30.327 ( -0.009 0.000 0.000) 0.009 30.335 ( -0.657 0.000 0.000) 0.657 30.475 ( -3.321 0.000 0.000) 3.321 30.657 ( 2.019 0.000 0.000) 2.019 30.795 ( 5.677 0.000 0.000) 5.677 30.867 ( -3.005 0.000 0.000) 3.005 30.886 ( 0.478 0.000 0.000) 0.478 31.104 ( -2.048 0.000 0.000) 2.048 31.189 ( -1.844 0.000 0.000) 1.844 31.335 ( -2.536 0.000 0.000) 2.536 31.389 ( -1.393 0.000 0.000) 1.393 33.073 ( -19.526 0.000 0.000) 19.526 33.278 ( -21.243 0.000 0.000) 21.243 33.548 ( -9.526 0.000 0.000) 9.526 ======================= Grid point 2 (3/48) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 36.544 0.000 0.000) 36.544 1.760 ( 45.004 0.000 0.000) 45.004 2.351 ( 58.442 0.000 0.000) 58.442 2.759 ( 13.232 0.000 0.000) 13.232 2.768 ( 8.246 0.000 0.000) 8.246 2.924 ( 19.484 0.000 0.000) 19.484 2.998 ( 23.995 0.000 0.000) 23.995 3.552 ( 7.246 0.000 0.000) 7.246 3.873 ( 15.930 0.000 0.000) 15.930 4.139 ( 12.823 0.000 0.000) 12.823 4.335 ( -1.441 0.000 0.000) 1.441 4.604 ( 16.447 0.000 0.000) 16.447 4.644 ( -0.902 0.000 0.000) 0.902 4.712 ( -3.510 0.000 0.000) 3.510 4.753 ( 4.828 0.000 0.000) 4.828 4.888 ( 8.802 0.000 0.000) 8.802 4.994 ( 24.526 0.000 0.000) 24.526 5.009 ( 4.639 0.000 0.000) 4.639 5.199 ( 17.801 0.000 0.000) 17.801 5.212 ( 14.903 0.000 0.000) 14.903 5.224 ( 23.078 0.000 0.000) 23.078 5.295 ( -12.141 0.000 0.000) 12.141 5.402 ( 2.178 0.000 0.000) 2.178 5.531 ( 32.719 0.000 0.000) 32.719 5.629 ( 34.558 0.000 0.000) 34.558 5.730 ( -3.420 0.000 0.000) 3.420 5.794 ( 37.495 0.000 0.000) 37.495 5.871 ( -9.931 0.000 0.000) 9.931 5.890 ( 27.932 0.000 0.000) 27.932 5.946 ( 10.971 0.000 0.000) 10.971 5.951 ( 6.294 0.000 0.000) 6.294 6.070 ( 15.710 0.000 0.000) 15.710 6.097 ( 5.172 0.000 0.000) 5.172 6.136 ( -5.649 0.000 0.000) 5.649 6.219 ( 13.543 0.000 0.000) 13.543 6.254 ( 25.287 0.000 0.000) 25.287 6.342 ( -0.529 0.000 0.000) 0.529 6.412 ( 12.844 0.000 0.000) 12.844 6.416 ( -1.336 0.000 0.000) 1.336 6.493 ( -6.219 0.000 0.000) 6.219 6.583 ( 13.861 0.000 0.000) 13.861 6.629 ( -2.250 0.000 0.000) 2.250 6.664 ( -11.982 0.000 0.000) 11.982 6.777 ( 9.963 0.000 0.000) 9.963 6.898 ( 1.276 0.000 0.000) 1.276 6.972 ( 5.857 0.000 0.000) 5.857 6.983 ( -0.095 0.000 0.000) 0.095 7.012 ( 1.558 0.000 0.000) 1.558 7.255 ( -0.620 0.000 0.000) 0.620 7.416 ( 5.229 0.000 0.000) 5.229 7.452 ( 6.410 0.000 0.000) 6.410 7.603 ( -15.615 0.000 0.000) 15.615 7.655 ( 2.965 0.000 0.000) 2.965 7.735 ( -11.534 0.000 0.000) 11.534 7.787 ( -4.492 0.000 0.000) 4.492 7.890 ( -7.652 0.000 0.000) 7.652 8.008 ( -13.347 0.000 0.000) 13.347 8.019 ( -7.404 0.000 0.000) 7.404 8.055 ( 0.566 0.000 0.000) 0.566 8.115 ( -12.618 0.000 0.000) 12.618 8.192 ( 2.917 0.000 0.000) 2.917 8.297 ( -3.279 0.000 0.000) 3.279 8.544 ( -15.444 0.000 0.000) 15.444 8.549 ( -1.060 0.000 0.000) 1.060 8.567 ( -9.534 0.000 0.000) 9.534 8.660 ( -7.837 0.000 0.000) 7.837 8.661 ( 11.162 0.000 0.000) 11.162 8.687 ( -0.631 0.000 0.000) 0.631 8.745 ( 4.601 0.000 0.000) 4.601 8.746 ( 3.738 0.000 0.000) 3.738 8.885 ( 5.794 0.000 0.000) 5.794 8.901 ( -4.390 0.000 0.000) 4.390 8.937 ( 0.329 0.000 0.000) 0.329 8.941 ( 1.555 0.000 0.000) 1.555 9.003 ( 8.601 0.000 0.000) 8.601 9.095 ( -20.130 0.000 0.000) 20.130 9.143 ( -3.962 0.000 0.000) 3.962 9.197 ( 0.770 0.000 0.000) 0.770 9.214 ( 11.276 0.000 0.000) 11.276 9.533 ( 6.607 0.000 0.000) 6.607 9.621 ( 8.988 0.000 0.000) 8.988 9.650 ( -11.263 0.000 0.000) 11.263 9.703 ( -9.584 0.000 0.000) 9.584 9.806 ( -5.360 0.000 0.000) 5.360 9.860 ( -4.308 0.000 0.000) 4.308 9.908 ( 9.763 0.000 0.000) 9.763 9.939 ( 3.127 0.000 0.000) 3.127 10.172 ( 3.578 0.000 0.000) 3.578 10.234 ( 2.070 0.000 0.000) 2.070 10.235 ( 4.327 0.000 0.000) 4.327 10.335 ( 3.230 0.000 0.000) 3.230 10.387 ( 1.531 0.000 0.000) 1.531 10.475 ( -5.125 0.000 0.000) 5.125 10.482 ( 2.802 0.000 0.000) 2.802 10.640 ( 3.698 0.000 0.000) 3.698 10.696 ( 12.019 0.000 0.000) 12.019 10.739 ( -10.545 0.000 0.000) 10.545 10.804 ( 3.124 0.000 0.000) 3.124 10.819 ( -16.025 0.000 0.000) 16.025 10.860 ( -5.215 0.000 0.000) 5.215 10.956 ( -9.436 0.000 0.000) 9.436 10.982 ( -4.306 0.000 0.000) 4.306 10.995 ( 1.535 0.000 0.000) 1.535 11.118 ( -2.876 0.000 0.000) 2.876 11.260 ( -5.855 0.000 0.000) 5.855 11.345 ( 0.044 0.000 0.000) 0.044 11.369 ( -6.432 0.000 0.000) 6.432 11.392 ( -5.641 0.000 0.000) 5.641 11.481 ( -3.442 0.000 0.000) 3.442 11.486 ( -4.791 0.000 0.000) 4.791 11.744 ( 1.775 0.000 0.000) 1.775 11.856 ( 2.219 0.000 0.000) 2.219 11.874 ( 6.132 0.000 0.000) 6.132 12.011 ( 3.587 0.000 0.000) 3.587 12.039 ( 2.400 0.000 0.000) 2.400 12.051 ( 9.451 0.000 0.000) 9.451 12.105 ( -2.986 0.000 0.000) 2.986 12.109 ( 2.570 0.000 0.000) 2.570 12.208 ( 5.979 0.000 0.000) 5.979 12.235 ( -10.130 0.000 0.000) 10.130 12.375 ( -0.170 0.000 0.000) 0.170 12.452 ( 2.345 0.000 0.000) 2.345 12.540 ( 4.794 0.000 0.000) 4.794 12.618 ( -2.498 0.000 0.000) 2.498 12.786 ( -11.627 0.000 0.000) 11.627 12.843 ( 1.820 0.000 0.000) 1.820 12.910 ( -0.737 0.000 0.000) 0.737 12.923 ( 6.744 0.000 0.000) 6.744 12.929 ( 0.114 0.000 0.000) 0.114 13.013 ( 13.250 0.000 0.000) 13.250 13.128 ( -2.786 0.000 0.000) 2.786 13.275 ( -7.249 0.000 0.000) 7.249 13.447 ( -11.457 0.000 0.000) 11.457 13.527 ( 12.583 0.000 0.000) 12.583 13.549 ( -3.950 0.000 0.000) 3.950 13.570 ( 0.728 0.000 0.000) 0.728 13.583 ( 2.460 0.000 0.000) 2.460 13.606 ( 7.711 0.000 0.000) 7.711 13.697 ( 5.581 0.000 0.000) 5.581 13.864 ( 4.603 0.000 0.000) 4.603 13.928 ( -14.948 0.000 0.000) 14.948 14.026 ( 12.317 0.000 0.000) 12.317 14.068 ( 9.900 0.000 0.000) 9.900 14.093 ( 10.384 0.000 0.000) 10.384 14.182 ( 3.887 0.000 0.000) 3.887 14.267 ( 8.656 0.000 0.000) 8.656 14.376 ( 10.882 0.000 0.000) 10.882 14.510 ( -5.595 0.000 0.000) 5.595 14.549 ( 11.281 0.000 0.000) 11.281 14.554 ( 2.962 0.000 0.000) 2.962 14.894 ( 4.634 0.000 0.000) 4.634 14.983 ( -0.255 0.000 0.000) 0.255 15.050 ( 0.695 0.000 0.000) 0.695 15.263 ( -1.909 0.000 0.000) 1.909 15.284 ( 5.033 0.000 0.000) 5.033 15.320 ( 7.842 0.000 0.000) 7.842 15.467 ( 19.114 0.000 0.000) 19.114 15.482 ( 5.886 0.000 0.000) 5.886 15.535 ( 10.000 0.000 0.000) 10.000 15.675 ( -0.733 0.000 0.000) 0.733 15.698 ( 1.899 0.000 0.000) 1.899 15.709 ( 9.093 0.000 0.000) 9.093 15.783 ( -3.219 0.000 0.000) 3.219 15.945 ( 10.444 0.000 0.000) 10.444 16.030 ( 4.015 0.000 0.000) 4.015 16.037 ( 8.379 0.000 0.000) 8.379 16.049 ( 10.068 0.000 0.000) 10.068 16.074 ( -10.727 0.000 0.000) 10.727 16.259 ( -17.092 0.000 0.000) 17.092 16.296 ( 0.701 0.000 0.000) 0.701 16.347 ( -11.370 0.000 0.000) 11.370 16.399 ( 6.280 0.000 0.000) 6.280 16.509 ( 7.387 0.000 0.000) 7.387 16.714 ( -13.273 0.000 0.000) 13.273 16.749 ( -14.994 0.000 0.000) 14.994 17.674 ( -8.636 0.000 0.000) 8.636 18.361 ( -10.988 0.000 0.000) 10.988 18.762 ( -14.097 0.000 0.000) 14.097 18.812 ( -2.482 0.000 0.000) 2.482 18.869 ( -14.791 0.000 0.000) 14.791 19.575 ( -4.024 0.000 0.000) 4.024 19.589 ( -0.465 0.000 0.000) 0.465 19.653 ( 1.751 0.000 0.000) 1.751 19.939 ( -7.647 0.000 0.000) 7.647 20.675 ( -20.887 0.000 0.000) 20.887 20.711 ( -22.787 0.000 0.000) 22.787 20.934 ( -17.076 0.000 0.000) 17.076 21.043 ( -22.736 0.000 0.000) 22.736 21.173 ( -16.475 0.000 0.000) 16.475 21.241 ( -21.054 0.000 0.000) 21.054 21.524 ( -20.564 0.000 0.000) 20.564 21.544 ( -19.161 0.000 0.000) 19.161 25.265 ( 12.137 0.000 0.000) 12.137 25.273 ( 11.783 0.000 0.000) 11.783 25.705 ( 23.546 0.000 0.000) 23.546 26.149 ( 9.572 0.000 0.000) 9.572 26.159 ( 1.734 0.000 0.000) 1.734 26.193 ( 2.261 0.000 0.000) 2.261 26.238 ( -2.125 0.000 0.000) 2.125 26.251 ( 1.380 0.000 0.000) 1.380 26.381 ( 5.729 0.000 0.000) 5.729 26.415 ( 6.573 0.000 0.000) 6.573 26.750 ( -1.846 0.000 0.000) 1.846 26.796 ( -1.753 0.000 0.000) 1.753 26.885 ( 7.952 0.000 0.000) 7.952 26.894 ( 7.585 0.000 0.000) 7.585 27.145 ( -8.151 0.000 0.000) 8.151 27.195 ( 13.747 0.000 0.000) 13.747 27.252 ( -7.126 0.000 0.000) 7.126 27.305 ( 6.276 0.000 0.000) 6.276 27.558 ( 3.871 0.000 0.000) 3.871 27.744 ( 10.576 0.000 0.000) 10.576 27.785 ( 15.899 0.000 0.000) 15.899 28.046 ( 1.012 0.000 0.000) 1.012 28.333 ( -2.410 0.000 0.000) 2.410 28.857 ( -13.150 0.000 0.000) 13.150 29.010 ( -19.452 0.000 0.000) 19.452 29.316 ( -12.541 0.000 0.000) 12.541 29.431 ( -16.056 0.000 0.000) 16.056 29.502 ( -6.798 0.000 0.000) 6.798 29.562 ( -6.349 0.000 0.000) 6.349 29.638 ( -14.659 0.000 0.000) 14.659 29.848 ( -8.968 0.000 0.000) 8.968 29.965 ( -6.469 0.000 0.000) 6.469 30.017 ( 1.291 0.000 0.000) 1.291 30.315 ( -1.424 0.000 0.000) 1.424 30.325 ( -0.369 0.000 0.000) 0.369 30.392 ( -4.952 0.000 0.000) 4.952 30.398 ( 5.452 0.000 0.000) 5.452 30.700 ( 2.195 0.000 0.000) 2.195 30.818 ( -1.322 0.000 0.000) 1.322 30.887 ( -0.478 0.000 0.000) 0.478 30.913 ( 5.283 0.000 0.000) 5.283 31.080 ( 0.184 0.000 0.000) 0.184 31.141 ( -2.880 0.000 0.000) 2.880 31.305 ( 1.042 0.000 0.000) 1.042 31.351 ( -2.436 0.000 0.000) 2.436 32.605 ( -26.897 0.000 0.000) 26.897 32.801 ( -26.323 0.000 0.000) 26.323 33.269 ( -18.507 0.000 0.000) 18.507 ======================= Grid point 3 (4/48) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 39.485 0.000 0.000) 39.485 2.597 ( 40.454 0.000 0.000) 40.454 2.875 ( 9.170 0.000 0.000) 9.170 3.025 ( 14.350 0.000 0.000) 14.350 3.272 ( 15.612 0.000 0.000) 15.612 3.488 ( 50.501 0.000 0.000) 50.501 3.503 ( 26.914 0.000 0.000) 26.914 3.724 ( 10.625 0.000 0.000) 10.625 4.197 ( 18.529 0.000 0.000) 18.529 4.314 ( -2.462 0.000 0.000) 2.462 4.379 ( 12.971 0.000 0.000) 12.971 4.571 ( -13.065 0.000 0.000) 13.065 4.656 ( 3.673 0.000 0.000) 3.673 4.740 ( -7.045 0.000 0.000) 7.045 4.952 ( 16.618 0.000 0.000) 16.618 4.977 ( -18.869 0.000 0.000) 18.869 4.985 ( 2.989 0.000 0.000) 2.989 5.029 ( 0.331 0.000 0.000) 0.331 5.307 ( 9.611 0.000 0.000) 9.611 5.415 ( 0.494 0.000 0.000) 0.494 5.463 ( 13.732 0.000 0.000) 13.732 5.493 ( 4.491 0.000 0.000) 4.491 5.517 ( 11.071 0.000 0.000) 11.071 5.690 ( 3.573 0.000 0.000) 3.573 5.693 ( -17.116 0.000 0.000) 17.116 5.722 ( -2.927 0.000 0.000) 2.927 5.820 ( -4.913 0.000 0.000) 4.913 6.045 ( -0.444 0.000 0.000) 0.444 6.061 ( -1.606 0.000 0.000) 1.606 6.089 ( 5.211 0.000 0.000) 5.211 6.286 ( 17.519 0.000 0.000) 17.519 6.311 ( -2.551 0.000 0.000) 2.551 6.327 ( -1.524 0.000 0.000) 1.524 6.403 ( -2.097 0.000 0.000) 2.097 6.418 ( 20.432 0.000 0.000) 20.432 6.450 ( 18.731 0.000 0.000) 18.731 6.479 ( 30.247 0.000 0.000) 30.247 6.591 ( 0.722 0.000 0.000) 0.722 6.595 ( -1.672 0.000 0.000) 1.672 6.650 ( 16.293 0.000 0.000) 16.293 6.794 ( 6.472 0.000 0.000) 6.472 6.830 ( 7.105 0.000 0.000) 7.105 6.966 ( -1.510 0.000 0.000) 1.510 6.966 ( 29.316 0.000 0.000) 29.316 7.010 ( 16.897 0.000 0.000) 16.897 7.034 ( -1.151 0.000 0.000) 1.151 7.169 ( 19.562 0.000 0.000) 19.562 7.244 ( 29.679 0.000 0.000) 29.679 7.267 ( 0.681 0.000 0.000) 0.681 7.397 ( 5.269 0.000 0.000) 5.269 7.447 ( -2.278 0.000 0.000) 2.278 7.525 ( -9.193 0.000 0.000) 9.193 7.543 ( 5.176 0.000 0.000) 5.176 7.566 ( -0.810 0.000 0.000) 0.810 7.720 ( -1.417 0.000 0.000) 1.417 7.754 ( 1.805 0.000 0.000) 1.805 7.774 ( -7.820 0.000 0.000) 7.820 7.870 ( -12.296 0.000 0.000) 12.296 7.903 ( -2.452 0.000 0.000) 2.452 7.918 ( -7.163 0.000 0.000) 7.163 8.252 ( -2.781 0.000 0.000) 2.781 8.289 ( -10.565 0.000 0.000) 10.565 8.398 ( -12.050 0.000 0.000) 12.050 8.426 ( 7.531 0.000 0.000) 7.531 8.493 ( 2.332 0.000 0.000) 2.332 8.503 ( -14.372 0.000 0.000) 14.372 8.640 ( -9.102 0.000 0.000) 9.102 8.649 ( -2.991 0.000 0.000) 2.991 8.807 ( 5.125 0.000 0.000) 5.125 8.812 ( 6.011 0.000 0.000) 6.011 8.832 ( 5.966 0.000 0.000) 5.966 8.890 ( 0.936 0.000 0.000) 0.936 8.905 ( -1.360 0.000 0.000) 1.360 8.978 ( -1.755 0.000 0.000) 1.755 8.986 ( 3.870 0.000 0.000) 3.870 9.097 ( 6.179 0.000 0.000) 6.179 9.207 ( 7.557 0.000 0.000) 7.557 9.244 ( -0.289 0.000 0.000) 0.289 9.409 ( -12.025 0.000 0.000) 12.025 9.515 ( -7.669 0.000 0.000) 7.669 9.597 ( 11.686 0.000 0.000) 11.686 9.760 ( 0.461 0.000 0.000) 0.461 9.809 ( -1.784 0.000 0.000) 1.784 9.869 ( 12.765 0.000 0.000) 12.765 9.915 ( 32.914 0.000 0.000) 32.914 10.034 ( 9.397 0.000 0.000) 9.397 10.081 ( 9.920 0.000 0.000) 9.920 10.176 ( -11.930 0.000 0.000) 11.930 10.254 ( 2.596 0.000 0.000) 2.596 10.312 ( -3.095 0.000 0.000) 3.095 10.365 ( -4.207 0.000 0.000) 4.207 10.410 ( -2.644 0.000 0.000) 2.644 10.466 ( 17.553 0.000 0.000) 17.553 10.481 ( -2.298 0.000 0.000) 2.298 10.494 ( -10.539 0.000 0.000) 10.539 10.632 ( -1.079 0.000 0.000) 1.079 10.681 ( -15.055 0.000 0.000) 15.055 10.730 ( 6.209 0.000 0.000) 6.209 10.790 ( 2.472 0.000 0.000) 2.472 10.809 ( -3.128 0.000 0.000) 3.128 10.896 ( 7.654 0.000 0.000) 7.654 10.933 ( -1.886 0.000 0.000) 1.886 11.011 ( -5.777 0.000 0.000) 5.777 11.118 ( -7.269 0.000 0.000) 7.269 11.145 ( -15.674 0.000 0.000) 15.674 11.213 ( 15.119 0.000 0.000) 15.119 11.252 ( -7.312 0.000 0.000) 7.312 11.354 ( -11.622 0.000 0.000) 11.622 11.399 ( 5.967 0.000 0.000) 5.967 11.465 ( 1.997 0.000 0.000) 1.997 11.765 ( -0.637 0.000 0.000) 0.637 11.828 ( -4.317 0.000 0.000) 4.317 11.951 ( 2.770 0.000 0.000) 2.770 12.029 ( -7.096 0.000 0.000) 7.096 12.041 ( -1.669 0.000 0.000) 1.669 12.079 ( -0.034 0.000 0.000) 0.034 12.118 ( 4.100 0.000 0.000) 4.100 12.180 ( 3.985 0.000 0.000) 3.985 12.234 ( -11.444 0.000 0.000) 11.444 12.302 ( 13.747 0.000 0.000) 13.747 12.360 ( 9.258 0.000 0.000) 9.258 12.457 ( -13.313 0.000 0.000) 13.313 12.485 ( -5.510 0.000 0.000) 5.510 12.624 ( 4.238 0.000 0.000) 4.238 12.641 ( -0.242 0.000 0.000) 0.242 12.751 ( -21.629 0.000 0.000) 21.629 12.869 ( -0.134 0.000 0.000) 0.134 12.966 ( 0.705 0.000 0.000) 0.705 13.005 ( -1.808 0.000 0.000) 1.808 13.042 ( -15.306 0.000 0.000) 15.306 13.076 ( 15.248 0.000 0.000) 15.248 13.278 ( -6.300 0.000 0.000) 6.300 13.374 ( 20.061 0.000 0.000) 20.061 13.480 ( -4.168 0.000 0.000) 4.168 13.511 ( 2.992 0.000 0.000) 2.992 13.625 ( -15.225 0.000 0.000) 15.225 13.643 ( 2.383 0.000 0.000) 2.383 13.720 ( 3.315 0.000 0.000) 3.315 13.792 ( 8.642 0.000 0.000) 8.642 13.924 ( 10.383 0.000 0.000) 10.383 14.011 ( 9.796 0.000 0.000) 9.796 14.220 ( 4.498 0.000 0.000) 4.498 14.241 ( 9.036 0.000 0.000) 9.036 14.275 ( 7.688 0.000 0.000) 7.688 14.292 ( 7.702 0.000 0.000) 7.702 14.418 ( 0.135 0.000 0.000) 0.135 14.461 ( 10.193 0.000 0.000) 10.193 14.478 ( 3.522 0.000 0.000) 3.522 14.614 ( 3.705 0.000 0.000) 3.705 14.753 ( 6.032 0.000 0.000) 6.032 14.985 ( 0.161 0.000 0.000) 0.161 14.999 ( 6.614 0.000 0.000) 6.614 15.075 ( 1.945 0.000 0.000) 1.945 15.212 ( -3.481 0.000 0.000) 3.481 15.361 ( 1.979 0.000 0.000) 1.979 15.481 ( 7.815 0.000 0.000) 7.815 15.567 ( -3.530 0.000 0.000) 3.530 15.578 ( 1.043 0.000 0.000) 1.043 15.685 ( -0.903 0.000 0.000) 0.903 15.708 ( 4.496 0.000 0.000) 4.496 15.717 ( -4.604 0.000 0.000) 4.604 15.806 ( 9.593 0.000 0.000) 9.593 15.826 ( -6.736 0.000 0.000) 6.736 15.860 ( 2.029 0.000 0.000) 2.029 15.947 ( -10.812 0.000 0.000) 10.812 16.107 ( 6.471 0.000 0.000) 6.471 16.110 ( -11.882 0.000 0.000) 11.882 16.144 ( 5.752 0.000 0.000) 5.752 16.149 ( -3.087 0.000 0.000) 3.087 16.154 ( -8.984 0.000 0.000) 8.984 16.275 ( 9.162 0.000 0.000) 9.162 16.465 ( -12.141 0.000 0.000) 12.141 16.466 ( -0.036 0.000 0.000) 0.036 16.615 ( 4.683 0.000 0.000) 4.683 16.792 ( 18.557 0.000 0.000) 18.557 17.504 ( -8.510 0.000 0.000) 8.510 18.264 ( 3.046 0.000 0.000) 3.046 18.514 ( -9.280 0.000 0.000) 9.280 18.603 ( -9.227 0.000 0.000) 9.227 18.828 ( 4.812 0.000 0.000) 4.812 19.565 ( 2.947 0.000 0.000) 2.947 19.609 ( 3.226 0.000 0.000) 3.226 19.719 ( 5.311 0.000 0.000) 5.311 19.848 ( -1.442 0.000 0.000) 1.442 20.196 ( -30.292 0.000 0.000) 30.292 20.203 ( -27.597 0.000 0.000) 27.597 20.517 ( -31.263 0.000 0.000) 31.263 20.523 ( -25.232 0.000 0.000) 25.232 20.785 ( -25.104 0.000 0.000) 25.104 20.798 ( -21.734 0.000 0.000) 21.734 21.063 ( -26.282 0.000 0.000) 26.282 21.106 ( -25.334 0.000 0.000) 25.334 25.516 ( 13.353 0.000 0.000) 13.353 25.516 ( 12.943 0.000 0.000) 12.943 26.088 ( 15.740 0.000 0.000) 15.740 26.177 ( -2.303 0.000 0.000) 2.303 26.188 ( -2.375 0.000 0.000) 2.375 26.227 ( 3.304 0.000 0.000) 3.304 26.311 ( 6.773 0.000 0.000) 6.773 26.326 ( 5.848 0.000 0.000) 5.848 26.532 ( 9.638 0.000 0.000) 9.638 26.572 ( 8.694 0.000 0.000) 8.694 26.688 ( -4.102 0.000 0.000) 4.102 26.722 ( -3.106 0.000 0.000) 3.106 26.959 ( -10.619 0.000 0.000) 10.619 27.075 ( 11.524 0.000 0.000) 11.524 27.090 ( -9.419 0.000 0.000) 9.419 27.104 ( 12.882 0.000 0.000) 12.882 27.474 ( 11.116 0.000 0.000) 11.116 27.506 ( 18.018 0.000 0.000) 18.018 27.526 ( -7.392 0.000 0.000) 7.392 27.797 ( -5.722 0.000 0.000) 5.722 28.071 ( 4.276 0.000 0.000) 4.276 28.114 ( 10.045 0.000 0.000) 10.045 28.222 ( -11.556 0.000 0.000) 11.556 28.686 ( -9.880 0.000 0.000) 9.880 28.705 ( 0.623 0.000 0.000) 0.623 29.024 ( -17.159 0.000 0.000) 17.159 29.113 ( -15.066 0.000 0.000) 15.066 29.355 ( -8.322 0.000 0.000) 8.322 29.374 ( -11.824 0.000 0.000) 11.824 29.424 ( -7.617 0.000 0.000) 7.617 29.636 ( -12.943 0.000 0.000) 12.943 29.781 ( -12.669 0.000 0.000) 12.669 30.048 ( 1.885 0.000 0.000) 1.885 30.272 ( -2.987 0.000 0.000) 2.987 30.311 ( -2.881 0.000 0.000) 2.881 30.318 ( -0.401 0.000 0.000) 0.401 30.519 ( 6.932 0.000 0.000) 6.932 30.734 ( 1.297 0.000 0.000) 1.297 30.829 ( 2.284 0.000 0.000) 2.284 30.869 ( -1.195 0.000 0.000) 1.195 30.943 ( -1.918 0.000 0.000) 1.918 31.084 ( -2.933 0.000 0.000) 2.933 31.145 ( 6.779 0.000 0.000) 6.779 31.302 ( -2.332 0.000 0.000) 2.332 31.422 ( 10.811 0.000 0.000) 10.811 32.097 ( -24.850 0.000 0.000) 24.850 32.314 ( -23.541 0.000 0.000) 23.541 32.870 ( -22.080 0.000 0.000) 22.080 ======================= Grid point 4 (5/48) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( 39.673 0.000 0.000) 39.673 3.035 ( 7.657 0.000 0.000) 7.657 3.162 ( 11.984 0.000 0.000) 11.984 3.335 ( 18.188 0.000 0.000) 18.188 3.605 ( 22.837 0.000 0.000) 22.837 3.910 ( 4.586 0.000 0.000) 4.586 3.977 ( 17.984 0.000 0.000) 17.984 4.006 ( -28.692 0.000 0.000) 28.692 4.201 ( 12.988 0.000 0.000) 12.988 4.333 ( -0.529 0.000 0.000) 0.529 4.583 ( 15.584 0.000 0.000) 15.584 4.638 ( 13.190 0.000 0.000) 13.190 4.712 ( 4.142 0.000 0.000) 4.142 4.743 ( 8.774 0.000 0.000) 8.774 4.829 ( 13.062 0.000 0.000) 13.062 4.875 ( -11.866 0.000 0.000) 11.866 5.011 ( -0.858 0.000 0.000) 0.858 5.208 ( 0.891 0.000 0.000) 0.891 5.236 ( -25.814 0.000 0.000) 25.814 5.357 ( -12.837 0.000 0.000) 12.837 5.478 ( 8.878 0.000 0.000) 8.878 5.506 ( 12.656 0.000 0.000) 12.656 5.674 ( -1.385 0.000 0.000) 1.385 5.698 ( -4.810 0.000 0.000) 4.810 5.713 ( 11.683 0.000 0.000) 11.683 5.734 ( -2.030 0.000 0.000) 2.030 5.759 ( 4.668 0.000 0.000) 4.668 6.008 ( 6.797 0.000 0.000) 6.797 6.033 ( -11.596 0.000 0.000) 11.596 6.106 ( -3.155 0.000 0.000) 3.155 6.230 ( -15.591 0.000 0.000) 15.591 6.370 ( 13.826 0.000 0.000) 13.826 6.444 ( 7.816 0.000 0.000) 7.816 6.513 ( -0.298 0.000 0.000) 0.298 6.546 ( 5.652 0.000 0.000) 5.652 6.571 ( -3.567 0.000 0.000) 3.567 6.578 ( 0.239 0.000 0.000) 0.239 6.630 ( -10.676 0.000 0.000) 10.676 6.745 ( -2.144 0.000 0.000) 2.144 6.785 ( 6.231 0.000 0.000) 6.231 6.918 ( 11.559 0.000 0.000) 11.559 6.954 ( 1.208 0.000 0.000) 1.208 6.961 ( 1.730 0.000 0.000) 1.730 6.979 ( -1.328 0.000 0.000) 1.328 7.078 ( 10.995 0.000 0.000) 10.995 7.203 ( -5.265 0.000 0.000) 5.265 7.272 ( -4.525 0.000 0.000) 4.525 7.296 ( 2.027 0.000 0.000) 2.027 7.346 ( -8.746 0.000 0.000) 8.746 7.430 ( 2.005 0.000 0.000) 2.005 7.609 ( 16.691 0.000 0.000) 16.691 7.645 ( -8.331 0.000 0.000) 8.331 7.650 ( 1.655 0.000 0.000) 1.655 7.653 ( 4.678 0.000 0.000) 4.678 7.699 ( 8.038 0.000 0.000) 8.038 7.749 ( 1.200 0.000 0.000) 1.200 7.837 ( -3.155 0.000 0.000) 3.155 7.937 ( 14.656 0.000 0.000) 14.656 8.089 ( -14.315 0.000 0.000) 14.315 8.104 ( 20.833 0.000 0.000) 20.833 8.154 ( -2.230 0.000 0.000) 2.230 8.219 ( 1.988 0.000 0.000) 1.988 8.337 ( -4.662 0.000 0.000) 4.662 8.338 ( 34.535 0.000 0.000) 34.535 8.481 ( -9.392 0.000 0.000) 9.392 8.502 ( 7.842 0.000 0.000) 7.842 8.592 ( -2.078 0.000 0.000) 2.078 8.608 ( 12.609 0.000 0.000) 12.609 8.822 ( -3.596 0.000 0.000) 3.596 8.858 ( -3.744 0.000 0.000) 3.744 8.891 ( -6.375 0.000 0.000) 6.375 8.918 ( 7.304 0.000 0.000) 7.304 8.954 ( 5.075 0.000 0.000) 5.075 9.058 ( 13.430 0.000 0.000) 13.430 9.124 ( 15.112 0.000 0.000) 15.112 9.154 ( -7.139 0.000 0.000) 7.139 9.254 ( -3.998 0.000 0.000) 3.998 9.350 ( 8.549 0.000 0.000) 8.549 9.365 ( 16.012 0.000 0.000) 16.012 9.424 ( -4.544 0.000 0.000) 4.544 9.617 ( -21.293 0.000 0.000) 21.293 9.783 ( -0.745 0.000 0.000) 0.745 9.850 ( 16.233 0.000 0.000) 16.233 9.905 ( -16.528 0.000 0.000) 16.528 9.962 ( 1.588 0.000 0.000) 1.588 10.111 ( -3.963 0.000 0.000) 3.963 10.147 ( -17.597 0.000 0.000) 17.597 10.214 ( 4.755 0.000 0.000) 4.755 10.252 ( -19.110 0.000 0.000) 19.110 10.257 ( 1.319 0.000 0.000) 1.319 10.331 ( 12.440 0.000 0.000) 12.440 10.386 ( 13.242 0.000 0.000) 13.242 10.486 ( -1.720 0.000 0.000) 1.720 10.565 ( 9.438 0.000 0.000) 9.438 10.646 ( 16.561 0.000 0.000) 16.561 10.699 ( -9.026 0.000 0.000) 9.026 10.700 ( -17.516 0.000 0.000) 17.516 10.775 ( 19.898 0.000 0.000) 19.898 10.827 ( 8.179 0.000 0.000) 8.179 10.868 ( 10.384 0.000 0.000) 10.384 10.886 ( -10.453 0.000 0.000) 10.453 10.910 ( -6.978 0.000 0.000) 6.978 10.964 ( 13.529 0.000 0.000) 13.529 10.965 ( 0.450 0.000 0.000) 0.450 11.061 ( -14.264 0.000 0.000) 14.264 11.127 ( 4.358 0.000 0.000) 4.358 11.211 ( 9.710 0.000 0.000) 9.710 11.462 ( 10.915 0.000 0.000) 10.915 11.595 ( 12.804 0.000 0.000) 12.804 11.605 ( 12.987 0.000 0.000) 12.987 11.659 ( -12.591 0.000 0.000) 12.591 11.683 ( -12.809 0.000 0.000) 12.809 11.949 ( -15.095 0.000 0.000) 15.095 11.957 ( 0.188 0.000 0.000) 0.188 11.972 ( -2.731 0.000 0.000) 2.731 11.983 ( -7.795 0.000 0.000) 7.795 12.083 ( -9.566 0.000 0.000) 9.566 12.097 ( 1.944 0.000 0.000) 1.944 12.174 ( -12.601 0.000 0.000) 12.601 12.218 ( -0.065 0.000 0.000) 0.065 12.304 ( -9.930 0.000 0.000) 9.930 12.332 ( -15.301 0.000 0.000) 15.301 12.513 ( 5.738 0.000 0.000) 5.738 12.636 ( 19.907 0.000 0.000) 19.907 12.671 ( 0.479 0.000 0.000) 0.479 12.734 ( 6.913 0.000 0.000) 6.913 12.796 ( -7.994 0.000 0.000) 7.994 12.862 ( 0.153 0.000 0.000) 0.153 12.956 ( -1.687 0.000 0.000) 1.687 12.968 ( -3.349 0.000 0.000) 3.349 13.144 ( -8.071 0.000 0.000) 8.071 13.342 ( -14.458 0.000 0.000) 14.458 13.433 ( 0.217 0.000 0.000) 0.217 13.449 ( 22.062 0.000 0.000) 22.062 13.547 ( -0.798 0.000 0.000) 0.798 13.675 ( 1.380 0.000 0.000) 1.380 13.733 ( 15.953 0.000 0.000) 15.953 13.737 ( -0.876 0.000 0.000) 0.876 13.928 ( 8.363 0.000 0.000) 8.363 14.028 ( 0.143 0.000 0.000) 0.143 14.094 ( -4.429 0.000 0.000) 4.429 14.299 ( 4.148 0.000 0.000) 4.148 14.333 ( 1.594 0.000 0.000) 1.594 14.341 ( -3.204 0.000 0.000) 3.204 14.473 ( 11.996 0.000 0.000) 11.996 14.496 ( 6.753 0.000 0.000) 6.753 14.609 ( 7.908 0.000 0.000) 7.908 14.635 ( 7.546 0.000 0.000) 7.546 14.700 ( 4.242 0.000 0.000) 4.242 14.798 ( 0.005 0.000 0.000) 0.005 14.973 ( -1.530 0.000 0.000) 1.530 15.074 ( -4.526 0.000 0.000) 4.526 15.151 ( 9.017 0.000 0.000) 9.017 15.183 ( 3.444 0.000 0.000) 3.444 15.329 ( -4.438 0.000 0.000) 4.438 15.481 ( -11.555 0.000 0.000) 11.555 15.502 ( -15.332 0.000 0.000) 15.332 15.502 ( -2.332 0.000 0.000) 2.332 15.510 ( -5.897 0.000 0.000) 5.897 15.617 ( 4.841 0.000 0.000) 4.841 15.630 ( -10.137 0.000 0.000) 10.137 15.827 ( 1.552 0.000 0.000) 1.552 15.843 ( -4.358 0.000 0.000) 4.358 15.900 ( 0.109 0.000 0.000) 0.109 15.925 ( -2.473 0.000 0.000) 2.473 16.004 ( 8.498 0.000 0.000) 8.498 16.011 ( -7.548 0.000 0.000) 7.548 16.101 ( 4.036 0.000 0.000) 4.036 16.187 ( 1.144 0.000 0.000) 1.144 16.214 ( 1.335 0.000 0.000) 1.335 16.327 ( -2.834 0.000 0.000) 2.834 16.404 ( -5.085 0.000 0.000) 5.085 16.544 ( 16.076 0.000 0.000) 16.076 16.802 ( 13.078 0.000 0.000) 13.078 17.005 ( 0.587 0.000 0.000) 0.587 17.329 ( -10.695 0.000 0.000) 10.695 18.491 ( 9.902 0.000 0.000) 9.902 18.504 ( 21.102 0.000 0.000) 21.102 18.673 ( 17.470 0.000 0.000) 17.470 19.023 ( 15.870 0.000 0.000) 15.870 19.561 ( -34.835 0.000 0.000) 34.835 19.629 ( -31.415 0.000 0.000) 31.415 19.689 ( 9.884 0.000 0.000) 9.884 19.731 ( 9.663 0.000 0.000) 9.663 19.865 ( -35.560 0.000 0.000) 35.560 19.877 ( 11.563 0.000 0.000) 11.563 19.896 ( 6.866 0.000 0.000) 6.866 19.985 ( -29.563 0.000 0.000) 29.563 20.318 ( -22.395 0.000 0.000) 22.395 20.368 ( -21.938 0.000 0.000) 21.938 20.553 ( -25.381 0.000 0.000) 25.381 20.609 ( -25.086 0.000 0.000) 25.086 25.758 ( 11.773 0.000 0.000) 11.773 25.764 ( 12.054 0.000 0.000) 12.054 26.100 ( -5.527 0.000 0.000) 5.527 26.112 ( -5.542 0.000 0.000) 5.542 26.319 ( 8.690 0.000 0.000) 8.690 26.324 ( 6.008 0.000 0.000) 6.008 26.404 ( 2.948 0.000 0.000) 2.948 26.443 ( 4.825 0.000 0.000) 4.825 26.597 ( -2.801 0.000 0.000) 2.801 26.621 ( -1.110 0.000 0.000) 1.110 26.750 ( 12.734 0.000 0.000) 12.734 26.753 ( -10.279 0.000 0.000) 10.279 26.859 ( 14.653 0.000 0.000) 14.653 26.898 ( -10.262 0.000 0.000) 10.262 27.308 ( -14.115 0.000 0.000) 14.115 27.322 ( 13.989 0.000 0.000) 13.989 27.372 ( 14.656 0.000 0.000) 14.656 27.555 ( -17.715 0.000 0.000) 17.715 27.723 ( 14.433 0.000 0.000) 14.433 27.876 ( 20.080 0.000 0.000) 20.080 27.910 ( -14.868 0.000 0.000) 14.868 27.946 ( -14.916 0.000 0.000) 14.916 28.236 ( -4.086 0.000 0.000) 4.086 28.659 ( -18.998 0.000 0.000) 18.998 28.737 ( 12.400 0.000 0.000) 12.400 28.831 ( 8.282 0.000 0.000) 8.282 28.972 ( 3.403 0.000 0.000) 3.403 29.187 ( -9.024 0.000 0.000) 9.024 29.211 ( -4.682 0.000 0.000) 4.682 29.283 ( -6.531 0.000 0.000) 6.531 29.356 ( -15.831 0.000 0.000) 15.831 29.496 ( -16.193 0.000 0.000) 16.193 30.090 ( 2.519 0.000 0.000) 2.519 30.208 ( -3.415 0.000 0.000) 3.415 30.283 ( -0.246 0.000 0.000) 0.246 30.307 ( -0.754 0.000 0.000) 0.754 30.651 ( 6.104 0.000 0.000) 6.104 30.750 ( 0.261 0.000 0.000) 0.261 30.850 ( -0.568 0.000 0.000) 0.568 30.891 ( -2.670 0.000 0.000) 2.670 30.892 ( 3.895 0.000 0.000) 3.895 31.030 ( -2.814 0.000 0.000) 2.814 31.283 ( 1.269 0.000 0.000) 1.269 31.321 ( 11.234 0.000 0.000) 11.234 31.672 ( -18.754 0.000 0.000) 18.754 31.690 ( 16.347 0.000 0.000) 16.347 31.903 ( -19.106 0.000 0.000) 19.106 32.442 ( -21.863 0.000 0.000) 21.863 ======================= Grid point 5 (6/48) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.170 ( -5.702 0.000 0.000) 5.702 3.170 ( 5.702 0.000 0.000) 5.702 3.294 ( -38.637 0.000 0.000) 38.637 3.294 ( 38.637 0.000 0.000) 38.637 3.712 ( -19.606 0.000 0.000) 19.606 3.712 ( 19.606 0.000 0.000) 19.606 4.018 ( -18.477 0.000 0.000) 18.477 4.018 ( 18.477 0.000 0.000) 18.477 4.472 ( -28.049 0.000 0.000) 28.049 4.472 ( 28.049 0.000 0.000) 28.049 4.579 ( -17.189 0.000 0.000) 17.189 4.579 ( 17.189 0.000 0.000) 17.189 4.849 ( -5.768 0.000 0.000) 5.768 4.849 ( 5.769 0.000 0.000) 5.769 4.965 ( -6.658 0.000 0.000) 6.658 4.965 ( 6.658 0.000 0.000) 6.658 5.069 ( -11.349 0.000 0.000) 11.349 5.069 ( 11.349 0.000 0.000) 11.349 5.087 ( -11.154 0.000 0.000) 11.154 5.087 ( 11.154 0.000 0.000) 11.154 5.590 ( -4.521 0.000 0.000) 4.521 5.590 ( 4.521 0.000 0.000) 4.521 5.739 ( -4.887 0.000 0.000) 4.887 5.739 ( 4.887 0.000 0.000) 4.887 5.746 ( -4.313 0.000 0.000) 4.313 5.746 ( 4.313 0.000 0.000) 4.313 5.853 ( -17.582 0.000 0.000) 17.582 5.853 ( 17.582 0.000 0.000) 17.582 5.948 ( -9.926 0.000 0.000) 9.926 5.948 ( 9.926 0.000 0.000) 9.926 6.318 ( -19.406 0.000 0.000) 19.406 6.318 ( 19.406 0.000 0.000) 19.406 6.510 ( -1.139 0.000 0.000) 1.139 6.510 ( 1.139 0.000 0.000) 1.139 6.570 ( -1.129 0.000 0.000) 1.129 6.570 ( 1.129 0.000 0.000) 1.129 6.586 ( -7.904 0.000 0.000) 7.904 6.586 ( 7.904 0.000 0.000) 7.904 6.724 ( -14.770 0.000 0.000) 14.770 6.724 ( 14.770 0.000 0.000) 14.770 6.988 ( -0.582 0.000 0.000) 0.582 6.988 ( 0.582 0.000 0.000) 0.582 6.997 ( -1.526 0.000 0.000) 1.526 6.997 ( 1.526 0.000 0.000) 1.526 7.217 ( -4.300 0.000 0.000) 4.300 7.217 ( 4.300 0.000 0.000) 4.300 7.302 ( -3.174 0.000 0.000) 3.174 7.302 ( 3.174 0.000 0.000) 3.174 7.308 ( -15.541 0.000 0.000) 15.541 7.308 ( 15.541 0.000 0.000) 15.541 7.597 ( -4.799 0.000 0.000) 4.799 7.597 ( 4.799 0.000 0.000) 4.799 7.706 ( -4.580 0.000 0.000) 4.580 7.706 ( 4.580 0.000 0.000) 4.580 7.713 ( -6.253 0.000 0.000) 6.253 7.713 ( 6.254 0.000 0.000) 6.254 7.992 ( -0.923 0.000 0.000) 0.923 7.992 ( 0.923 0.000 0.000) 0.923 8.147 ( -19.573 0.000 0.000) 19.573 8.147 ( 19.573 0.000 0.000) 19.573 8.203 ( -4.313 0.000 0.000) 4.313 8.203 ( 4.313 0.000 0.000) 4.313 8.304 ( -5.930 0.000 0.000) 5.930 8.304 ( 5.930 0.000 0.000) 5.930 8.597 ( -1.959 0.000 0.000) 1.959 8.597 ( 1.959 0.000 0.000) 1.959 8.736 ( -10.012 0.000 0.000) 10.012 8.736 ( 10.012 0.000 0.000) 10.012 8.805 ( -4.101 0.000 0.000) 4.101 8.805 ( 4.101 0.000 0.000) 4.101 9.003 ( -11.253 0.000 0.000) 11.253 9.003 ( 11.253 0.000 0.000) 11.253 9.126 ( -19.137 0.000 0.000) 19.137 9.126 ( 19.137 0.000 0.000) 19.137 9.194 ( -3.927 0.000 0.000) 3.927 9.194 ( 3.927 0.000 0.000) 3.927 9.226 ( -22.225 0.000 0.000) 22.225 9.226 ( 22.225 0.000 0.000) 22.225 9.584 ( -21.396 0.000 0.000) 21.396 9.584 ( 21.396 0.000 0.000) 21.396 9.596 ( -10.454 0.000 0.000) 10.454 9.596 ( 10.454 0.000 0.000) 10.454 9.656 ( -26.355 0.000 0.000) 26.355 9.656 ( 26.355 0.000 0.000) 26.355 10.024 ( -5.231 0.000 0.000) 5.231 10.024 ( 5.231 0.000 0.000) 5.231 10.155 ( -0.774 0.000 0.000) 0.774 10.155 ( 0.774 0.000 0.000) 0.774 10.277 ( -19.887 0.000 0.000) 19.887 10.277 ( 19.887 0.000 0.000) 19.887 10.355 ( -7.888 0.000 0.000) 7.888 10.355 ( 7.888 0.000 0.000) 7.888 10.595 ( -10.687 0.000 0.000) 10.687 10.595 ( 10.687 0.000 0.000) 10.687 10.614 ( -13.085 0.000 0.000) 13.085 10.614 ( 13.085 0.000 0.000) 13.085 10.765 ( -2.530 0.000 0.000) 2.530 10.765 ( 2.530 0.000 0.000) 2.530 10.776 ( -3.654 0.000 0.000) 3.654 10.776 ( 3.654 0.000 0.000) 3.654 10.976 ( -0.242 0.000 0.000) 0.242 10.976 ( 0.242 0.000 0.000) 0.242 11.103 ( -8.964 0.000 0.000) 8.964 11.103 ( 8.964 0.000 0.000) 8.964 11.284 ( -27.058 0.000 0.000) 27.058 11.284 ( 27.058 0.000 0.000) 27.058 11.293 ( -20.795 0.000 0.000) 20.795 11.293 ( 20.795 0.000 0.000) 20.795 11.575 ( -21.424 0.000 0.000) 21.424 11.575 ( 21.424 0.000 0.000) 21.424 11.729 ( -16.227 0.000 0.000) 16.227 11.729 ( 16.227 0.000 0.000) 16.227 11.827 ( -10.223 0.000 0.000) 10.223 11.827 ( 10.223 0.000 0.000) 10.223 11.881 ( -14.875 0.000 0.000) 14.875 11.881 ( 14.875 0.000 0.000) 14.875 12.012 ( -3.430 0.000 0.000) 3.430 12.012 ( 3.430 0.000 0.000) 3.430 12.161 ( -4.988 0.000 0.000) 4.988 12.161 ( 4.988 0.000 0.000) 4.988 12.210 ( -1.033 0.000 0.000) 1.033 12.210 ( 1.033 0.000 0.000) 1.033 12.606 ( -4.796 0.000 0.000) 4.796 12.606 ( 4.796 0.000 0.000) 4.796 12.771 ( -1.874 0.000 0.000) 1.874 12.771 ( 1.874 0.000 0.000) 1.874 12.917 ( -1.378 0.000 0.000) 1.378 12.917 ( 1.378 0.000 0.000) 1.378 12.970 ( -9.456 0.000 0.000) 9.456 12.970 ( 9.456 0.000 0.000) 9.456 13.034 ( -17.463 0.000 0.000) 17.463 13.034 ( 17.463 0.000 0.000) 17.463 13.486 ( -4.305 0.000 0.000) 4.305 13.486 ( 4.305 0.000 0.000) 4.305 13.703 ( -1.423 0.000 0.000) 1.423 13.703 ( 1.423 0.000 0.000) 1.423 13.865 ( -18.130 0.000 0.000) 18.130 13.865 ( 18.130 0.000 0.000) 18.130 13.953 ( -7.374 0.000 0.000) 7.374 13.953 ( 7.374 0.000 0.000) 7.374 14.163 ( -13.746 0.000 0.000) 13.746 14.163 ( 13.746 0.000 0.000) 13.746 14.343 ( -0.565 0.000 0.000) 0.565 14.343 ( 0.565 0.000 0.000) 0.565 14.596 ( -1.297 0.000 0.000) 1.297 14.596 ( 1.297 0.000 0.000) 1.297 14.723 ( -2.804 0.000 0.000) 2.804 14.723 ( 2.804 0.000 0.000) 2.804 14.762 ( -4.666 0.000 0.000) 4.666 14.762 ( 4.666 0.000 0.000) 4.666 14.976 ( -3.417 0.000 0.000) 3.417 14.976 ( 3.417 0.000 0.000) 3.417 15.267 ( -0.572 0.000 0.000) 0.572 15.267 ( 0.572 0.000 0.000) 0.572 15.298 ( -7.665 0.000 0.000) 7.665 15.298 ( 7.665 0.000 0.000) 7.665 15.363 ( -7.931 0.000 0.000) 7.931 15.363 ( 7.931 0.000 0.000) 7.931 15.502 ( -2.962 0.000 0.000) 2.962 15.502 ( 2.962 0.000 0.000) 2.962 15.729 ( -6.972 0.000 0.000) 6.972 15.729 ( 6.972 0.000 0.000) 6.972 15.845 ( -3.838 0.000 0.000) 3.838 15.845 ( 3.838 0.000 0.000) 3.838 15.940 ( -2.123 0.000 0.000) 2.123 15.940 ( 2.123 0.000 0.000) 2.123 16.146 ( -5.296 0.000 0.000) 5.296 16.146 ( 5.296 0.000 0.000) 5.296 16.188 ( -3.616 0.000 0.000) 3.616 16.188 ( 3.616 0.000 0.000) 3.616 16.326 ( -2.288 0.000 0.000) 2.288 16.326 ( 2.288 0.000 0.000) 2.288 16.848 ( -14.078 0.000 0.000) 14.078 16.848 ( 14.078 0.000 0.000) 14.078 17.079 ( -14.644 0.000 0.000) 14.644 17.079 ( 14.644 0.000 0.000) 14.644 18.908 ( -30.636 0.000 0.000) 30.636 18.908 ( 30.636 0.000 0.000) 30.636 19.020 ( -30.667 0.000 0.000) 30.667 19.020 ( 30.667 0.000 0.000) 30.667 19.189 ( -33.093 0.000 0.000) 33.093 19.189 ( 33.093 0.000 0.000) 33.093 19.435 ( -26.100 0.000 0.000) 26.100 19.435 ( 26.100 0.000 0.000) 26.100 19.943 ( -16.354 0.000 0.000) 16.354 19.943 ( 16.354 0.000 0.000) 16.354 19.987 ( -16.866 0.000 0.000) 16.866 19.987 ( 16.866 0.000 0.000) 16.866 20.130 ( -17.531 0.000 0.000) 17.531 20.130 ( 17.531 0.000 0.000) 17.531 20.175 ( -19.343 0.000 0.000) 19.343 20.175 ( 19.343 0.000 0.000) 19.343 25.960 ( -8.997 0.000 0.000) 8.997 25.960 ( 8.997 0.000 0.000) 8.997 25.970 ( -9.179 0.000 0.000) 9.179 25.970 ( 9.179 0.000 0.000) 9.179 26.419 ( -2.194 0.000 0.000) 2.194 26.419 ( 2.194 0.000 0.000) 2.194 26.440 ( -4.119 0.000 0.000) 4.119 26.440 ( 4.119 0.000 0.000) 4.119 26.596 ( -4.418 0.000 0.000) 4.418 26.596 ( 4.418 0.000 0.000) 4.418 26.709 ( -8.763 0.000 0.000) 8.763 26.709 ( 8.763 0.000 0.000) 8.763 27.020 ( -15.008 0.000 0.000) 15.008 27.020 ( 15.008 0.000 0.000) 15.008 27.188 ( -18.879 0.000 0.000) 18.879 27.188 ( 18.879 0.000 0.000) 18.879 27.608 ( -15.532 0.000 0.000) 15.532 27.608 ( 15.532 0.000 0.000) 15.532 27.660 ( -14.954 0.000 0.000) 14.954 27.660 ( 14.954 0.000 0.000) 14.954 28.016 ( -15.158 0.000 0.000) 15.158 28.016 ( 15.158 0.000 0.000) 15.158 28.271 ( -20.597 0.000 0.000) 20.597 28.271 ( 20.597 0.000 0.000) 20.597 29.009 ( -9.393 0.000 0.000) 9.393 29.009 ( 9.393 0.000 0.000) 9.393 29.037 ( -16.908 0.000 0.000) 16.908 29.037 ( 16.908 0.000 0.000) 16.908 29.183 ( -15.331 0.000 0.000) 15.331 29.183 ( 15.331 0.000 0.000) 15.331 29.192 ( -2.377 0.000 0.000) 2.377 29.192 ( 2.377 0.000 0.000) 2.377 30.145 ( -3.100 0.000 0.000) 3.100 30.145 ( 3.100 0.000 0.000) 3.100 30.291 ( -0.816 0.000 0.000) 0.816 30.291 ( 0.816 0.000 0.000) 0.816 30.734 ( -2.346 0.000 0.000) 2.346 30.734 ( 2.346 0.000 0.000) 2.346 30.854 ( -1.079 0.000 0.000) 1.079 30.854 ( 1.079 0.000 0.000) 1.079 30.968 ( -3.692 0.000 0.000) 3.692 30.968 ( 3.692 0.000 0.000) 3.692 31.389 ( -10.213 0.000 0.000) 10.213 31.389 ( 10.213 0.000 0.000) 10.213 31.574 ( -15.036 0.000 0.000) 15.036 31.574 ( 15.036 0.000 0.000) 15.036 32.039 ( -19.670 0.000 0.000) 19.670 32.039 ( 19.670 0.000 0.000) 19.670 ======================= Grid point 11 (7/48) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 0.000 47.301 0.000) 47.301 0.890 ( 0.000 48.033 0.000) 48.033 1.502 ( 0.000 70.781 0.000) 70.781 1.734 ( 0.000 -43.926 0.000) 43.926 1.740 ( 0.000 -34.112 0.000) 34.112 2.913 ( 0.000 -65.914 0.000) 65.914 3.000 ( 0.000 22.821 0.000) 22.821 3.203 ( 0.000 34.647 0.000) 34.647 3.300 ( 0.000 -10.407 0.000) 10.407 3.659 ( 0.000 -9.260 0.000) 9.260 3.846 ( 0.000 -9.232 0.000) 9.232 3.851 ( 0.000 -18.562 0.000) 18.562 4.350 ( 0.000 9.238 0.000) 9.238 4.427 ( 0.000 2.497 0.000) 2.497 4.428 ( 0.000 3.465 0.000) 3.465 4.458 ( 0.000 0.504 0.000) 0.504 4.496 ( 0.000 -5.252 0.000) 5.252 4.496 ( 0.000 -5.081 0.000) 5.081 4.622 ( 0.000 0.794 0.000) 0.794 4.653 ( 0.000 -2.801 0.000) 2.801 4.890 ( 0.000 14.672 0.000) 14.672 5.056 ( 0.000 19.040 0.000) 19.040 5.182 ( 0.000 -15.216 0.000) 15.216 5.271 ( 0.000 17.436 0.000) 17.436 5.455 ( 0.000 -22.734 0.000) 22.734 5.463 ( 0.000 19.369 0.000) 19.369 5.510 ( 0.000 -10.908 0.000) 10.908 5.660 ( 0.000 -5.281 0.000) 5.281 5.670 ( 0.000 3.919 0.000) 3.919 5.734 ( 0.000 -0.911 0.000) 0.911 5.779 ( 0.000 6.849 0.000) 6.849 5.899 ( 0.000 -4.345 0.000) 4.345 5.918 ( 0.000 5.023 0.000) 5.023 6.036 ( 0.000 -7.857 0.000) 7.857 6.169 ( 0.000 11.923 0.000) 11.923 6.303 ( 0.000 4.757 0.000) 4.757 6.359 ( 0.000 -1.609 0.000) 1.609 6.403 ( 0.000 -10.080 0.000) 10.080 6.589 ( 0.000 8.723 0.000) 8.723 6.648 ( 0.000 -0.772 0.000) 0.772 6.652 ( 0.000 7.215 0.000) 7.215 6.684 ( 0.000 6.155 0.000) 6.155 6.736 ( 0.000 6.112 0.000) 6.112 6.805 ( 0.000 -3.723 0.000) 3.723 6.811 ( 0.000 -5.213 0.000) 5.213 6.913 ( 0.000 -8.812 0.000) 8.812 7.024 ( 0.000 5.837 0.000) 5.837 7.065 ( 0.000 12.665 0.000) 12.665 7.138 ( 0.000 12.090 0.000) 12.090 7.148 ( 0.000 -7.163 0.000) 7.163 7.382 ( 0.000 -21.665 0.000) 21.665 7.396 ( 0.000 -12.781 0.000) 12.781 7.590 ( 0.000 0.864 0.000) 0.864 7.624 ( 0.000 -2.643 0.000) 2.643 7.900 ( 0.000 2.310 0.000) 2.310 7.961 ( 0.000 -3.958 0.000) 3.958 8.081 ( 0.000 2.066 0.000) 2.066 8.166 ( 0.000 -5.629 0.000) 5.629 8.317 ( 0.000 4.529 0.000) 4.529 8.336 ( 0.000 2.313 0.000) 2.313 8.377 ( 0.000 -1.886 0.000) 1.886 8.396 ( 0.000 -4.564 0.000) 4.564 8.427 ( 0.000 1.765 0.000) 1.765 8.470 ( 0.000 -2.509 0.000) 2.509 8.506 ( 0.000 6.091 0.000) 6.091 8.626 ( 0.000 -3.833 0.000) 3.833 8.671 ( 0.000 2.610 0.000) 2.610 8.738 ( 0.000 -0.478 0.000) 0.478 8.738 ( 0.000 -4.351 0.000) 4.351 8.747 ( 0.000 -1.964 0.000) 1.964 8.881 ( 0.000 0.478 0.000) 0.478 8.920 ( 0.000 -0.379 0.000) 0.379 9.046 ( 0.000 3.482 0.000) 3.482 9.063 ( 0.000 2.743 0.000) 2.743 9.361 ( 0.000 9.366 0.000) 9.366 9.398 ( 0.000 5.871 0.000) 5.871 9.476 ( 0.000 -2.235 0.000) 2.235 9.507 ( 0.000 -4.187 0.000) 4.187 9.586 ( 0.000 11.654 0.000) 11.654 9.597 ( 0.000 -2.913 0.000) 2.913 9.632 ( 0.000 -5.456 0.000) 5.456 9.798 ( 0.000 10.516 0.000) 10.516 9.834 ( 0.000 -13.341 0.000) 13.341 9.917 ( 0.000 4.768 0.000) 4.768 10.028 ( 0.000 -8.570 0.000) 8.570 10.074 ( 0.000 9.625 0.000) 9.625 10.111 ( 0.000 -5.228 0.000) 5.228 10.126 ( 0.000 1.723 0.000) 1.723 10.148 ( 0.000 0.454 0.000) 0.454 10.205 ( 0.000 -2.695 0.000) 2.695 10.218 ( 0.000 -2.942 0.000) 2.942 10.259 ( 0.000 -6.079 0.000) 6.079 10.459 ( 0.000 8.491 0.000) 8.491 10.538 ( 0.000 -0.379 0.000) 0.379 10.626 ( 0.000 0.335 0.000) 0.335 10.678 ( 0.000 2.435 0.000) 2.435 10.786 ( 0.000 -0.257 0.000) 0.257 10.850 ( 0.000 -3.076 0.000) 3.076 10.944 ( 0.000 0.164 0.000) 0.164 10.980 ( 0.000 -2.442 0.000) 2.442 10.998 ( 0.000 2.084 0.000) 2.084 11.133 ( 0.000 -11.640 0.000) 11.640 11.211 ( 0.000 3.666 0.000) 3.666 11.305 ( 0.000 -1.517 0.000) 1.517 11.409 ( 0.000 6.133 0.000) 6.133 11.440 ( 0.000 5.210 0.000) 5.210 11.446 ( 0.000 2.328 0.000) 2.328 11.496 ( 0.000 -1.837 0.000) 1.837 11.616 ( 0.000 -1.917 0.000) 1.917 11.671 ( 0.000 -7.985 0.000) 7.985 11.710 ( 0.000 -0.657 0.000) 0.657 11.748 ( 0.000 -3.617 0.000) 3.617 11.826 ( 0.000 0.997 0.000) 0.997 11.832 ( 0.000 0.954 0.000) 0.954 12.002 ( 0.000 12.101 0.000) 12.101 12.023 ( 0.000 6.754 0.000) 6.754 12.110 ( 0.000 -2.819 0.000) 2.819 12.169 ( 0.000 -2.005 0.000) 2.005 12.300 ( 0.000 4.488 0.000) 4.488 12.365 ( 0.000 -2.154 0.000) 2.154 12.370 ( 0.000 -2.209 0.000) 2.209 12.437 ( 0.000 -5.090 0.000) 5.090 12.455 ( 0.000 4.983 0.000) 4.983 12.514 ( 0.000 4.032 0.000) 4.032 12.717 ( 0.000 -5.401 0.000) 5.401 12.804 ( 0.000 -9.583 0.000) 9.583 12.901 ( 0.000 0.840 0.000) 0.840 12.975 ( 0.000 -6.850 0.000) 6.850 12.988 ( 0.000 5.800 0.000) 5.800 13.091 ( 0.000 -4.189 0.000) 4.189 13.181 ( 0.000 11.681 0.000) 11.681 13.325 ( 0.000 -2.167 0.000) 2.167 13.426 ( 0.000 0.674 0.000) 0.674 13.438 ( 0.000 -1.144 0.000) 1.144 13.463 ( 0.000 0.983 0.000) 0.983 13.537 ( 0.000 -6.352 0.000) 6.352 13.656 ( 0.000 0.845 0.000) 0.845 13.660 ( 0.000 0.273 0.000) 0.273 13.708 ( 0.000 1.330 0.000) 1.330 13.709 ( 0.000 1.841 0.000) 1.841 13.759 ( 0.000 4.427 0.000) 4.427 13.780 ( 0.000 4.904 0.000) 4.904 13.831 ( 0.000 -2.606 0.000) 2.606 13.857 ( 0.000 -2.907 0.000) 2.907 13.974 ( 0.000 3.274 0.000) 3.274 14.108 ( 0.000 -9.037 0.000) 9.037 14.298 ( 0.000 2.064 0.000) 2.064 14.301 ( 0.000 1.557 0.000) 1.557 14.510 ( 0.000 -0.796 0.000) 0.796 14.525 ( 0.000 -1.736 0.000) 1.736 14.535 ( 0.000 5.550 0.000) 5.550 14.661 ( 0.000 -7.453 0.000) 7.453 14.877 ( 0.000 9.519 0.000) 9.519 15.055 ( 0.000 -9.056 0.000) 9.056 15.076 ( 0.000 5.547 0.000) 5.547 15.164 ( 0.000 -3.709 0.000) 3.709 15.265 ( 0.000 2.684 0.000) 2.684 15.307 ( 0.000 -2.027 0.000) 2.027 15.348 ( 0.000 1.236 0.000) 1.236 15.369 ( 0.000 -0.966 0.000) 0.966 15.541 ( 0.000 5.019 0.000) 5.019 15.626 ( 0.000 -0.479 0.000) 0.479 15.660 ( 0.000 -3.816 0.000) 3.816 15.663 ( 0.000 -0.835 0.000) 0.835 15.850 ( 0.000 0.795 0.000) 0.795 15.866 ( 0.000 -0.798 0.000) 0.798 16.052 ( 0.000 3.284 0.000) 3.284 16.100 ( 0.000 -1.648 0.000) 1.648 16.231 ( 0.000 0.449 0.000) 0.449 16.240 ( 0.000 -0.459 0.000) 0.459 16.510 ( 0.000 3.791 0.000) 3.791 16.590 ( 0.000 -4.143 0.000) 4.143 16.651 ( 0.000 0.472 0.000) 0.472 16.661 ( 0.000 -0.489 0.000) 0.489 17.055 ( 0.000 0.417 0.000) 0.417 17.063 ( 0.000 -0.387 0.000) 0.387 18.918 ( 0.000 -0.203 0.000) 0.203 18.927 ( 0.000 -0.991 0.000) 0.991 19.037 ( 0.000 4.449 0.000) 4.449 19.117 ( 0.000 -3.533 0.000) 3.533 19.602 ( 0.000 1.302 0.000) 1.302 19.648 ( 0.000 -2.988 0.000) 2.988 19.867 ( 0.000 4.839 0.000) 4.839 19.941 ( 0.000 -2.809 0.000) 2.809 21.114 ( 0.000 1.341 0.000) 1.341 21.149 ( 0.000 -2.432 0.000) 2.432 21.309 ( 0.000 4.507 0.000) 4.507 21.399 ( 0.000 -5.195 0.000) 5.195 21.584 ( 0.000 4.403 0.000) 4.403 21.651 ( 0.000 -2.733 0.000) 2.733 21.925 ( 0.000 0.569 0.000) 0.569 21.935 ( 0.000 -0.459 0.000) 0.459 24.990 ( 0.000 0.015 0.000) 0.015 24.991 ( 0.000 -0.016 0.000) 0.016 25.006 ( 0.000 0.009 0.000) 0.009 25.006 ( 0.000 -0.008 0.000) 0.008 26.148 ( 0.000 1.815 0.000) 1.815 26.162 ( 0.000 3.205 0.000) 3.205 26.184 ( 0.000 -1.733 0.000) 1.733 26.239 ( 0.000 -4.581 0.000) 4.581 26.302 ( 0.000 0.412 0.000) 0.412 26.313 ( 0.000 -0.700 0.000) 0.700 26.705 ( 0.000 3.109 0.000) 3.109 26.739 ( 0.000 1.648 0.000) 1.648 26.752 ( 0.000 -1.210 0.000) 1.210 26.771 ( 0.000 -2.217 0.000) 2.217 27.056 ( 0.000 5.467 0.000) 5.467 27.165 ( 0.000 -5.359 0.000) 5.359 27.241 ( 0.000 2.325 0.000) 2.325 27.271 ( 0.000 -0.936 0.000) 0.936 27.370 ( 0.000 0.320 0.000) 0.320 27.381 ( 0.000 -0.956 0.000) 0.956 27.539 ( 0.000 11.361 0.000) 11.361 27.825 ( 0.000 -18.513 0.000) 18.513 28.696 ( 0.000 13.244 0.000) 13.244 28.868 ( 0.000 -5.448 0.000) 5.448 29.332 ( 0.000 5.171 0.000) 5.171 29.458 ( 0.000 -7.480 0.000) 7.480 29.664 ( 0.000 1.271 0.000) 1.271 29.685 ( 0.000 -0.789 0.000) 0.789 29.748 ( 0.000 1.487 0.000) 1.487 29.766 ( 0.000 -0.587 0.000) 0.587 30.003 ( 0.000 1.081 0.000) 1.081 30.021 ( 0.000 -0.729 0.000) 0.729 30.095 ( 0.000 3.661 0.000) 3.661 30.196 ( 0.000 -6.838 0.000) 6.838 30.329 ( 0.000 0.421 0.000) 0.421 30.339 ( 0.000 -0.492 0.000) 0.492 30.597 ( 0.000 6.546 0.000) 6.546 30.619 ( 0.000 0.563 0.000) 0.563 30.630 ( 0.000 -0.524 0.000) 0.524 30.697 ( 0.000 -3.896 0.000) 3.896 31.144 ( 0.000 1.578 0.000) 1.578 31.182 ( 0.000 -2.255 0.000) 2.255 31.379 ( 0.000 1.197 0.000) 1.197 31.397 ( 0.000 -0.685 0.000) 0.685 32.888 ( 0.000 4.726 0.000) 4.726 32.991 ( 0.000 -5.671 0.000) 5.671 33.569 ( 0.000 4.321 0.000) 4.321 33.644 ( 0.000 -3.284 0.000) 3.284 ======================= Grid point 12 (8/48) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 8.715 44.753 0.000) 45.594 1.254 ( 32.183 34.056 0.000) 46.857 1.761 ( 5.506 -46.412 0.000) 46.737 1.880 ( 32.942 57.409 0.000) 66.189 1.943 ( 20.405 -38.830 0.000) 43.865 2.950 ( 9.963 -54.137 0.000) 55.047 3.090 ( 8.795 20.390 0.000) 22.206 3.356 ( 5.453 -9.251 0.000) 10.738 3.367 ( 12.776 38.901 0.000) 40.945 4.008 ( 17.681 -21.350 0.000) 27.721 4.052 ( 25.675 2.340 0.000) 25.781 4.240 ( 35.213 -13.975 0.000) 37.885 4.425 ( 0.172 5.003 0.000) 5.006 4.532 ( 3.304 -6.156 0.000) 6.987 4.667 ( 26.777 3.479 0.000) 27.002 4.681 ( 28.065 3.599 0.000) 28.295 4.691 ( 6.324 -0.410 0.000) 6.338 4.694 ( 3.464 -0.819 0.000) 3.559 4.771 ( 29.137 3.388 0.000) 29.334 4.860 ( 34.050 -4.018 0.000) 34.287 4.904 ( 0.717 14.849 0.000) 14.866 5.080 ( 4.298 15.125 0.000) 15.724 5.200 ( 1.582 -15.134 0.000) 15.216 5.320 ( 6.029 5.329 0.000) 8.046 5.391 ( -6.573 -3.731 0.000) 7.558 5.436 ( -0.905 -21.931 0.000) 21.949 5.465 ( 1.919 16.484 0.000) 16.596 5.559 ( -0.471 7.923 0.000) 7.937 5.696 ( 3.652 -6.131 0.000) 7.137 5.794 ( 5.383 -7.651 0.000) 9.355 5.932 ( 11.363 3.266 0.000) 11.823 5.965 ( 4.350 6.258 0.000) 7.621 5.989 ( 7.176 -1.915 0.000) 7.427 6.083 ( 3.425 -5.407 0.000) 6.401 6.157 ( 0.427 7.499 0.000) 7.511 6.238 ( -6.650 6.873 0.000) 9.563 6.324 ( -5.956 -10.406 0.000) 11.990 6.337 ( -2.615 -3.286 0.000) 4.200 6.556 ( -3.643 6.230 0.000) 7.217 6.598 ( -3.569 -0.369 0.000) 3.588 6.671 ( -2.457 2.493 0.000) 3.500 6.680 ( -3.812 7.806 0.000) 8.687 6.714 ( 2.085 6.807 0.000) 7.119 6.751 ( -2.722 -2.205 0.000) 3.503 6.900 ( 7.280 0.712 0.000) 7.314 6.972 ( 6.252 1.270 0.000) 6.379 7.022 ( -4.316 5.046 0.000) 6.640 7.078 ( -2.087 5.198 0.000) 5.601 7.240 ( 5.553 -2.864 0.000) 6.249 7.253 ( 13.995 2.824 0.000) 14.277 7.316 ( -3.946 -5.714 0.000) 6.944 7.450 ( 6.999 -12.432 0.000) 14.266 7.694 ( 10.069 0.461 0.000) 10.080 7.789 ( 11.194 -8.598 0.000) 14.116 7.833 ( -6.129 -1.331 0.000) 6.272 7.850 ( -8.323 -3.751 0.000) 9.129 8.028 ( -2.555 5.402 0.000) 5.976 8.144 ( -1.812 -6.754 0.000) 6.992 8.217 ( -8.269 6.390 0.000) 10.450 8.308 ( -4.638 7.232 0.000) 8.591 8.371 ( -1.049 -8.953 0.000) 9.015 8.397 ( -3.912 4.612 0.000) 6.047 8.472 ( 1.434 -5.630 0.000) 5.810 8.476 ( 5.149 -7.576 0.000) 9.160 8.492 ( -2.534 3.461 0.000) 4.289 8.559 ( -9.730 -4.047 0.000) 10.538 8.704 ( 0.016 2.225 0.000) 2.225 8.704 ( 1.057 2.762 0.000) 2.957 8.757 ( -3.808 -3.271 0.000) 5.020 8.773 ( 1.839 -3.448 0.000) 3.908 8.844 ( -3.278 3.673 0.000) 4.923 8.898 ( -6.580 4.662 0.000) 8.064 8.909 ( -0.003 -1.381 0.000) 1.381 8.973 ( -5.673 -0.817 0.000) 5.732 9.235 ( -9.816 6.424 0.000) 11.731 9.310 ( -11.409 -1.475 0.000) 11.504 9.419 ( -10.502 8.216 0.000) 13.334 9.450 ( 1.984 10.887 0.000) 11.066 9.576 ( -9.964 6.158 0.000) 11.713 9.588 ( 5.292 -0.689 0.000) 5.337 9.604 ( -1.412 -8.146 0.000) 8.268 9.791 ( -5.918 -11.894 0.000) 13.285 9.794 ( 0.160 6.336 0.000) 6.338 9.916 ( -4.192 10.235 0.000) 11.061 9.932 ( -15.651 30.798 0.000) 34.547 10.005 ( -6.262 11.048 0.000) 12.699 10.035 ( 0.419 -6.411 0.000) 6.425 10.066 ( -4.196 6.242 0.000) 7.521 10.131 ( -5.031 -2.807 0.000) 5.761 10.151 ( 3.386 -9.057 0.000) 9.669 10.203 ( -2.996 -7.207 0.000) 7.805 10.372 ( 12.610 -5.803 0.000) 13.881 10.406 ( -2.799 5.578 0.000) 6.241 10.472 ( 1.647 4.440 0.000) 4.735 10.514 ( -3.592 -4.747 0.000) 5.953 10.631 ( -6.100 -7.011 0.000) 9.293 10.772 ( -7.298 4.413 0.000) 8.529 10.809 ( -10.724 -5.284 0.000) 11.955 10.823 ( -1.421 -2.023 0.000) 2.472 10.842 ( 1.326 -2.969 0.000) 3.251 11.040 ( 2.218 1.823 0.000) 2.872 11.073 ( 6.302 -0.707 0.000) 6.341 11.172 ( -4.166 5.243 0.000) 6.697 11.259 ( -3.452 2.153 0.000) 4.068 11.271 ( -3.479 -3.895 0.000) 5.222 11.342 ( -7.804 -5.107 0.000) 9.327 11.453 ( 0.062 4.403 0.000) 4.404 11.536 ( 0.885 -2.240 0.000) 2.408 11.571 ( -3.920 9.218 0.000) 10.017 11.681 ( 5.667 -1.020 0.000) 5.758 11.710 ( 4.678 -5.106 0.000) 6.925 11.714 ( -5.204 -1.367 0.000) 5.381 11.871 ( 5.252 2.494 0.000) 5.814 11.931 ( -2.714 9.841 0.000) 10.208 11.971 ( 6.651 -7.712 0.000) 10.184 12.019 ( -0.094 7.049 0.000) 7.050 12.029 ( -4.219 -1.501 0.000) 4.478 12.144 ( -7.817 -0.285 0.000) 7.822 12.169 ( -6.795 -2.868 0.000) 7.376 12.217 ( 2.455 -9.207 0.000) 9.529 12.396 ( -4.789 7.596 0.000) 8.980 12.414 ( 4.303 2.120 0.000) 4.797 12.519 ( 5.060 -5.922 0.000) 7.789 12.563 ( 0.328 -4.357 0.000) 4.369 12.721 ( 9.639 3.620 0.000) 10.296 12.777 ( -3.281 -2.831 0.000) 4.333 12.923 ( 2.122 3.004 0.000) 3.678 12.944 ( -3.956 2.897 0.000) 4.903 13.013 ( 2.686 -5.643 0.000) 6.249 13.039 ( 3.905 -4.191 0.000) 5.728 13.131 ( -5.391 10.657 0.000) 11.943 13.291 ( 3.995 11.418 0.000) 12.097 13.314 ( -2.657 -7.443 0.000) 7.903 13.510 ( 0.088 -8.900 0.000) 8.901 13.535 ( 6.801 8.934 0.000) 11.228 13.553 ( -7.638 2.601 0.000) 8.069 13.587 ( 3.529 8.038 0.000) 8.779 13.613 ( -1.739 -3.728 0.000) 4.114 13.697 ( 4.165 -6.068 0.000) 7.360 13.748 ( 10.043 -6.204 0.000) 11.805 13.832 ( 3.470 3.377 0.000) 4.842 13.888 ( 4.551 -2.546 0.000) 5.215 14.017 ( 17.089 1.867 0.000) 17.191 14.052 ( 5.280 2.407 0.000) 5.803 14.114 ( -7.002 2.636 0.000) 7.481 14.120 ( 21.845 -7.211 0.000) 23.004 14.141 ( -3.364 -3.322 0.000) 4.728 14.195 ( -11.001 -2.865 0.000) 11.368 14.569 ( 3.167 6.864 0.000) 7.560 14.709 ( 3.612 -7.800 0.000) 8.596 14.735 ( 1.584 11.407 0.000) 11.516 14.955 ( 1.799 -10.718 0.000) 10.868 15.077 ( 0.565 6.008 0.000) 6.035 15.121 ( 17.578 10.195 0.000) 20.320 15.174 ( 1.939 -4.233 0.000) 4.656 15.203 ( 4.039 0.200 0.000) 4.044 15.312 ( 4.205 4.073 0.000) 5.855 15.409 ( 6.894 3.922 0.000) 7.932 15.412 ( 6.358 -1.076 0.000) 6.449 15.484 ( 8.573 -3.689 0.000) 9.333 15.643 ( 1.834 1.565 0.000) 2.411 15.667 ( 0.570 -1.161 0.000) 1.294 15.754 ( 13.876 2.325 0.000) 14.069 15.861 ( -0.400 1.615 0.000) 1.664 15.889 ( 3.546 -1.176 0.000) 3.736 15.909 ( 10.557 -10.204 0.000) 14.682 16.045 ( -0.208 2.316 0.000) 2.326 16.117 ( 8.279 -7.575 0.000) 11.221 16.219 ( -2.127 1.095 0.000) 2.392 16.241 ( 1.036 -1.128 0.000) 1.532 16.547 ( -10.586 0.505 0.000) 10.598 16.558 ( -9.856 -0.536 0.000) 9.871 16.591 ( 10.090 15.849 0.000) 18.788 16.963 ( -9.298 0.722 0.000) 9.326 16.977 ( -8.795 -0.671 0.000) 8.820 17.107 ( 30.646 -44.965 0.000) 54.415 18.680 ( -14.865 6.081 0.000) 16.061 18.788 ( -10.930 -6.685 0.000) 12.812 19.019 ( -7.265 2.781 0.000) 7.780 19.072 ( -5.353 -2.297 0.000) 5.825 19.593 ( -1.168 0.809 0.000) 1.421 19.631 ( -1.291 -2.577 0.000) 2.883 19.787 ( -6.285 7.007 0.000) 9.413 19.936 ( -3.662 -10.199 0.000) 10.837 21.002 ( -11.484 1.252 0.000) 11.552 21.033 ( -11.949 -2.019 0.000) 12.119 21.221 ( -9.114 3.994 0.000) 9.951 21.304 ( -9.967 -4.850 0.000) 11.084 21.482 ( -10.413 3.922 0.000) 11.127 21.541 ( -11.277 -2.320 0.000) 11.514 21.827 ( -10.140 0.191 0.000) 10.142 21.830 ( -10.762 -0.170 0.000) 10.763 25.072 ( 7.479 0.268 0.000) 7.483 25.078 ( 7.466 -0.338 0.000) 7.474 25.289 ( 24.855 6.150 0.000) 25.605 25.528 ( 30.749 -23.169 0.000) 38.500 26.156 ( 0.749 1.732 0.000) 1.888 26.171 ( 1.122 1.657 0.000) 2.001 26.215 ( 2.904 -0.007 0.000) 2.904 26.269 ( 2.947 -4.043 0.000) 5.003 26.285 ( -1.344 0.437 0.000) 1.413 26.306 ( -0.381 -1.553 0.000) 1.599 26.755 ( 3.897 1.816 0.000) 4.299 26.759 ( 2.697 1.603 0.000) 3.138 26.778 ( 2.250 0.573 0.000) 2.322 26.828 ( 5.016 -2.392 0.000) 5.557 27.068 ( 2.361 5.414 0.000) 5.907 27.178 ( 1.860 -5.371 0.000) 5.684 27.316 ( 2.121 6.135 0.000) 6.491 27.384 ( 5.605 -0.515 0.000) 5.629 27.468 ( 6.122 1.361 0.000) 6.271 27.487 ( 11.174 -0.686 0.000) 11.195 27.575 ( 6.641 5.982 0.000) 8.938 27.793 ( -1.349 -17.030 0.000) 17.083 28.634 ( -4.290 16.056 0.000) 16.620 28.917 ( 1.083 -17.476 0.000) 17.509 29.230 ( -10.264 5.203 0.000) 11.507 29.390 ( -6.891 -9.358 0.000) 11.621 29.624 ( -4.026 1.387 0.000) 4.258 29.648 ( -3.719 -1.057 0.000) 3.866 29.676 ( -8.784 -0.713 0.000) 8.813 29.681 ( -8.034 -1.899 0.000) 8.256 29.984 ( -3.810 0.356 0.000) 3.827 29.992 ( -1.704 -0.472 0.000) 1.768 30.088 ( -0.471 4.568 0.000) 4.592 30.204 ( 0.836 -7.737 0.000) 7.782 30.319 ( -0.716 1.124 0.000) 1.333 30.344 ( 0.469 -1.217 0.000) 1.304 30.595 ( -0.139 8.694 0.000) 8.695 30.646 ( 2.224 0.479 0.000) 2.275 30.666 ( 3.313 -1.395 0.000) 3.595 30.736 ( 3.419 -6.081 0.000) 6.977 31.125 ( -1.378 2.160 0.000) 2.562 31.169 ( -0.952 -2.089 0.000) 2.295 31.352 ( -2.541 1.543 0.000) 2.973 31.379 ( -1.780 -1.142 0.000) 2.115 32.094 ( -44.457 50.908 0.000) 67.587 32.745 ( -27.671 -26.221 0.000) 38.122 33.425 ( -15.302 7.493 0.000) 17.038 33.521 ( -11.315 -3.246 0.000) 11.772 ======================= Grid point 13 (9/48) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 28.370 27.442 0.000) 39.471 1.950 ( 15.341 -42.824 0.000) 45.489 1.970 ( 39.906 21.313 0.000) 45.241 2.453 ( 30.730 -29.281 0.000) 42.446 2.689 ( 46.684 31.850 0.000) 56.514 3.306 ( 12.595 13.693 0.000) 18.604 3.310 ( 23.882 -24.318 0.000) 34.084 3.491 ( 8.103 -6.799 0.000) 10.578 3.610 ( 13.252 27.780 0.000) 30.779 4.193 ( 6.385 -23.429 0.000) 24.284 4.446 ( 2.015 10.274 0.000) 10.469 4.570 ( 20.464 15.746 0.000) 25.821 4.601 ( 2.846 -4.676 0.000) 5.474 4.739 ( 0.386 1.072 0.000) 1.140 4.805 ( 3.201 -4.969 0.000) 5.911 4.891 ( 20.136 -13.132 0.000) 24.040 4.903 ( 0.314 14.595 0.000) 14.599 5.143 ( 9.193 3.191 0.000) 9.731 5.174 ( 20.842 8.663 0.000) 22.571 5.227 ( 1.197 -17.131 0.000) 17.173 5.234 ( -2.343 -5.014 0.000) 5.535 5.279 ( 15.435 7.864 0.000) 17.323 5.324 ( 21.591 -1.270 0.000) 21.628 5.478 ( 6.250 -14.365 0.000) 15.666 5.583 ( 15.448 8.732 0.000) 17.745 5.654 ( 26.813 2.983 0.000) 26.979 5.772 ( 36.912 -1.885 0.000) 36.960 5.854 ( 29.011 -1.108 0.000) 29.032 5.870 ( 21.641 -5.619 0.000) 22.359 5.946 ( 12.394 -10.072 0.000) 15.971 5.966 ( -9.924 5.702 0.000) 11.446 6.077 ( -6.652 -4.755 0.000) 8.177 6.117 ( 0.033 10.427 0.000) 10.427 6.176 ( 8.318 2.575 0.000) 8.708 6.214 ( 17.729 0.172 0.000) 17.730 6.276 ( 12.951 0.898 0.000) 12.982 6.285 ( -1.080 -6.949 0.000) 7.032 6.327 ( 23.209 -3.702 0.000) 23.502 6.496 ( -1.996 6.801 0.000) 7.088 6.557 ( 0.424 3.883 0.000) 3.906 6.615 ( -3.844 -0.750 0.000) 3.916 6.635 ( 0.834 3.614 0.000) 3.709 6.679 ( -4.651 -2.057 0.000) 5.086 6.736 ( 2.696 -3.900 0.000) 4.741 6.898 ( -4.537 4.091 0.000) 6.109 7.019 ( 5.176 8.816 0.000) 10.223 7.034 ( -2.656 -4.296 0.000) 5.050 7.091 ( 6.028 4.205 0.000) 7.350 7.286 ( 1.749 4.003 0.000) 4.368 7.372 ( 3.266 -4.370 0.000) 5.455 7.493 ( 9.406 5.426 0.000) 10.859 7.575 ( -4.407 -0.469 0.000) 4.431 7.688 ( -6.014 -1.818 0.000) 6.282 7.705 ( -2.675 1.639 0.000) 3.137 7.719 ( -5.210 -4.199 0.000) 6.692 7.804 ( -7.224 -9.894 0.000) 12.251 8.053 ( -1.249 6.838 0.000) 6.951 8.099 ( -3.120 2.363 0.000) 3.914 8.165 ( -13.079 11.570 0.000) 17.463 8.172 ( -3.232 -0.427 0.000) 3.260 8.186 ( -16.591 6.478 0.000) 17.811 8.331 ( -3.118 -14.978 0.000) 15.299 8.397 ( 2.498 7.551 0.000) 7.953 8.414 ( -10.893 -9.362 0.000) 14.363 8.469 ( -3.700 -11.268 0.000) 11.860 8.548 ( 4.325 -7.830 0.000) 8.945 8.565 ( -3.145 0.528 0.000) 3.189 8.646 ( -2.932 -5.708 0.000) 6.417 8.796 ( 2.782 3.296 0.000) 4.313 8.826 ( 5.745 1.946 0.000) 6.066 8.866 ( 7.796 -1.676 0.000) 7.974 8.888 ( -3.817 4.169 0.000) 5.652 8.937 ( 5.893 -6.929 0.000) 9.097 8.961 ( -2.073 -0.835 0.000) 2.235 9.056 ( -4.473 6.483 0.000) 7.877 9.133 ( -3.240 -1.712 0.000) 3.664 9.262 ( -7.464 13.375 0.000) 15.317 9.329 ( -8.093 11.081 0.000) 13.722 9.464 ( 2.215 22.361 0.000) 22.470 9.525 ( -5.999 -8.089 0.000) 10.071 9.625 ( -9.116 -11.645 0.000) 14.789 9.717 ( 5.227 12.993 0.000) 14.005 9.782 ( 7.720 15.760 0.000) 17.549 9.846 ( 4.604 -3.672 0.000) 5.889 9.856 ( -8.060 8.708 0.000) 11.866 9.949 ( 2.312 -10.080 0.000) 10.342 9.950 ( -6.346 2.731 0.000) 6.909 10.060 ( 3.013 -0.650 0.000) 3.082 10.131 ( 1.838 -2.835 0.000) 3.378 10.177 ( 0.857 -5.433 0.000) 5.501 10.236 ( 5.165 -8.455 0.000) 9.908 10.369 ( -9.880 -28.409 0.000) 30.078 10.399 ( 0.605 1.162 0.000) 1.310 10.432 ( -2.731 -2.680 0.000) 3.827 10.599 ( 3.573 6.089 0.000) 7.060 10.664 ( 0.286 -1.027 0.000) 1.066 10.703 ( 11.830 2.969 0.000) 12.197 10.754 ( -5.534 2.660 0.000) 6.140 10.813 ( 10.355 -7.815 0.000) 12.973 10.825 ( -3.668 -3.756 0.000) 5.250 10.985 ( -8.519 2.760 0.000) 8.955 11.012 ( -9.992 0.766 0.000) 10.022 11.101 ( -10.585 10.121 0.000) 14.645 11.137 ( -2.312 2.006 0.000) 3.061 11.200 ( -3.385 -4.815 0.000) 5.886 11.267 ( -3.218 -7.122 0.000) 7.815 11.414 ( -5.446 4.568 0.000) 7.108 11.479 ( -5.261 -1.326 0.000) 5.426 11.564 ( 0.710 11.592 0.000) 11.614 11.615 ( -2.913 7.250 0.000) 7.813 11.760 ( 2.024 1.312 0.000) 2.412 11.798 ( 2.256 -2.814 0.000) 3.607 11.941 ( -0.586 2.299 0.000) 2.372 11.990 ( 3.611 -2.072 0.000) 4.163 11.995 ( 2.127 -2.603 0.000) 3.362 12.036 ( -2.116 -7.008 0.000) 7.320 12.074 ( 4.768 7.428 0.000) 8.826 12.081 ( 2.254 -1.275 0.000) 2.590 12.143 ( 6.103 -6.729 0.000) 9.085 12.255 ( 1.547 -10.231 0.000) 10.347 12.338 ( 0.240 13.250 0.000) 13.252 12.494 ( 2.651 4.262 0.000) 5.019 12.571 ( 0.313 -6.623 0.000) 6.630 12.580 ( 1.844 -4.169 0.000) 4.559 12.778 ( 3.400 -0.726 0.000) 3.476 12.821 ( 3.704 -2.312 0.000) 4.366 12.905 ( -14.581 9.244 0.000) 17.265 12.958 ( -0.655 4.342 0.000) 4.391 13.052 ( 9.815 4.883 0.000) 10.963 13.080 ( -1.331 -2.969 0.000) 3.254 13.097 ( 3.283 4.670 0.000) 5.709 13.191 ( -7.674 -10.437 0.000) 12.955 13.407 ( -5.209 2.269 0.000) 5.681 13.424 ( 7.625 -3.070 0.000) 8.220 13.481 ( -6.810 -4.213 0.000) 8.008 13.495 ( 1.239 -6.962 0.000) 7.072 13.738 ( -8.989 7.902 0.000) 11.968 13.770 ( 12.051 11.962 0.000) 16.980 13.773 ( 10.864 6.253 0.000) 12.535 13.867 ( -0.115 -1.049 0.000) 1.055 13.887 ( -5.620 -2.802 0.000) 6.280 13.975 ( 12.799 -8.072 0.000) 15.131 14.044 ( 8.168 -1.823 0.000) 8.369 14.068 ( 8.578 -3.573 0.000) 9.292 14.179 ( 6.457 1.721 0.000) 6.682 14.228 ( 6.708 -2.927 0.000) 7.318 14.301 ( 7.846 0.621 0.000) 7.871 14.402 ( 5.109 -7.650 0.000) 9.199 14.632 ( 3.067 6.877 0.000) 7.530 14.770 ( 2.627 -8.048 0.000) 8.466 14.771 ( 5.931 14.629 0.000) 15.785 14.994 ( 2.842 -7.900 0.000) 8.396 15.116 ( 3.544 8.788 0.000) 9.476 15.246 ( 1.797 -0.196 0.000) 1.807 15.257 ( 6.524 -6.210 0.000) 9.007 15.276 ( 5.149 -2.141 0.000) 5.576 15.441 ( 7.526 1.999 0.000) 7.787 15.489 ( 3.021 -1.659 0.000) 3.447 15.570 ( 8.946 3.388 0.000) 9.566 15.645 ( 7.279 -4.534 0.000) 8.576 15.679 ( 1.294 0.799 0.000) 1.521 15.699 ( 2.004 -0.819 0.000) 2.165 15.851 ( -0.507 5.028 0.000) 5.054 15.947 ( 0.265 -5.513 0.000) 5.520 15.969 ( 6.062 1.683 0.000) 6.291 15.996 ( 4.712 -1.487 0.000) 4.941 16.148 ( 8.823 7.116 0.000) 11.335 16.162 ( -3.426 5.121 0.000) 6.161 16.237 ( -7.673 -2.774 0.000) 8.159 16.276 ( 5.635 -7.046 0.000) 9.022 16.303 ( -8.401 1.214 0.000) 8.488 16.333 ( -10.670 -1.521 0.000) 10.778 16.724 ( -13.800 0.908 0.000) 13.830 16.741 ( -14.612 -0.812 0.000) 14.635 16.841 ( 13.776 28.681 0.000) 31.818 17.405 ( 3.721 -27.518 0.000) 27.768 18.429 ( -10.112 7.058 0.000) 12.331 18.615 ( -6.324 -13.113 0.000) 14.558 18.805 ( -13.256 4.113 0.000) 13.880 18.881 ( -12.778 -2.836 0.000) 13.089 19.564 ( -1.179 1.146 0.000) 1.644 19.600 ( -1.702 -1.765 0.000) 2.452 19.707 ( -0.790 6.119 0.000) 6.170 19.841 ( -4.279 -8.055 0.000) 9.121 20.683 ( -21.210 0.791 0.000) 21.225 20.700 ( -22.109 -0.992 0.000) 22.132 20.958 ( -18.192 2.422 0.000) 18.352 21.010 ( -20.582 -2.917 0.000) 20.788 21.197 ( -18.524 2.013 0.000) 18.633 21.229 ( -20.426 -1.283 0.000) 20.466 21.528 ( -20.201 0.481 0.000) 20.207 21.538 ( -19.498 -0.517 0.000) 19.505 25.266 ( 12.040 0.156 0.000) 12.041 25.270 ( 11.865 -0.269 0.000) 11.868 25.771 ( 22.630 7.342 0.000) 23.792 25.971 ( 17.234 -13.802 0.000) 22.080 26.179 ( 1.446 1.690 0.000) 2.225 26.198 ( 0.937 -0.154 0.000) 0.950 26.254 ( -1.043 1.987 0.000) 2.244 26.270 ( 2.097 1.873 0.000) 2.812 26.336 ( 5.026 -3.257 0.000) 5.989 26.364 ( 6.488 -4.448 0.000) 7.866 26.759 ( -1.871 0.960 0.000) 2.103 26.783 ( -2.158 -1.549 0.000) 2.656 26.905 ( 9.509 4.235 0.000) 10.409 26.952 ( 8.523 1.008 0.000) 8.582 27.198 ( 11.112 1.631 0.000) 11.231 27.246 ( -7.776 10.681 0.000) 13.212 27.263 ( 7.473 -4.075 0.000) 8.512 27.434 ( -5.375 14.052 0.000) 15.045 27.467 ( -2.064 -10.224 0.000) 10.430 27.655 ( 4.388 -9.360 0.000) 10.338 27.804 ( 14.865 2.172 0.000) 15.023 27.883 ( 9.933 -7.558 0.000) 12.482 28.563 ( -2.830 16.021 0.000) 16.269 28.858 ( -7.016 -14.254 0.000) 15.887 28.972 ( -14.686 10.232 0.000) 17.899 29.198 ( -12.769 -11.507 0.000) 17.189 29.425 ( -16.046 -0.373 0.000) 16.050 29.464 ( -13.536 -7.144 0.000) 15.305 29.518 ( -6.788 1.504 0.000) 6.952 29.547 ( -6.564 -1.444 0.000) 6.721 29.867 ( -8.332 2.003 0.000) 8.569 29.917 ( -6.589 -3.251 0.000) 7.347 30.089 ( 0.720 6.073 0.000) 6.116 30.225 ( 1.208 -8.597 0.000) 8.681 30.308 ( -0.577 1.901 0.000) 1.987 30.350 ( 0.009 -1.649 0.000) 1.649 30.590 ( -0.281 11.341 0.000) 11.345 30.691 ( 2.193 1.399 0.000) 2.602 30.731 ( 3.206 -2.460 0.000) 4.041 30.795 ( 1.808 -10.379 0.000) 10.535 31.120 ( 1.219 4.020 0.000) 4.200 31.177 ( 2.623 -0.199 0.000) 2.630 31.297 ( -2.526 0.932 0.000) 2.693 31.336 ( -2.120 -1.904 0.000) 2.849 31.475 ( -21.919 41.520 0.000) 46.950 32.173 ( -28.469 -33.304 0.000) 43.814 33.044 ( -22.882 12.841 0.000) 26.239 33.214 ( -19.685 -6.042 0.000) 20.591 ======================= Grid point 14 (10/48) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 34.406 14.921 0.000) 37.502 2.320 ( 22.003 -30.169 0.000) 37.340 2.734 ( 37.710 14.271 0.000) 40.320 3.058 ( 29.812 -18.752 0.000) 35.219 3.504 ( 26.780 21.894 0.000) 34.590 3.547 ( 12.741 4.906 0.000) 13.653 3.659 ( 9.287 -6.259 0.000) 11.199 3.715 ( 23.787 15.341 0.000) 28.305 3.993 ( 26.483 -6.779 0.000) 27.337 4.309 ( 6.706 -17.651 0.000) 18.882 4.449 ( -5.009 10.343 0.000) 11.492 4.565 ( -10.941 -1.854 0.000) 11.097 4.723 ( 1.925 3.561 0.000) 4.048 4.781 ( -2.691 0.802 0.000) 2.808 4.882 ( 13.026 4.069 0.000) 13.647 4.970 ( 6.077 6.842 0.000) 9.152 4.985 ( -1.781 -2.998 0.000) 3.486 5.084 ( -6.895 5.372 0.000) 8.740 5.238 ( -1.895 -9.868 0.000) 10.048 5.275 ( 5.074 -19.734 0.000) 20.376 5.494 ( 11.977 8.912 0.000) 14.929 5.550 ( 4.923 3.806 0.000) 6.222 5.566 ( 7.270 7.860 0.000) 10.707 5.614 ( 2.901 -3.573 0.000) 4.602 5.670 ( -8.573 -3.718 0.000) 9.344 5.727 ( -2.612 -6.649 0.000) 7.144 5.816 ( 2.436 5.373 0.000) 5.900 5.937 ( -0.562 -7.569 0.000) 7.590 6.143 ( 0.661 5.714 0.000) 5.752 6.160 ( 6.083 6.438 0.000) 8.857 6.247 ( -3.741 -5.180 0.000) 6.389 6.284 ( 9.015 -4.593 0.000) 10.118 6.400 ( 11.842 -0.336 0.000) 11.847 6.426 ( 17.226 -1.232 0.000) 17.270 6.444 ( -4.820 6.718 0.000) 8.269 6.466 ( -4.846 4.842 0.000) 6.850 6.468 ( 24.559 0.779 0.000) 24.572 6.535 ( 26.216 -8.571 0.000) 27.581 6.641 ( 2.984 3.443 0.000) 4.556 6.690 ( 4.073 6.582 0.000) 7.740 6.737 ( 10.417 2.039 0.000) 10.615 6.836 ( 12.546 -4.928 0.000) 13.479 6.837 ( -2.611 -4.482 0.000) 5.187 6.952 ( 29.881 5.017 0.000) 30.299 6.986 ( -2.138 -9.249 0.000) 9.493 7.061 ( 29.637 -4.944 0.000) 30.047 7.224 ( 14.926 3.689 0.000) 15.375 7.266 ( -4.175 1.333 0.000) 4.383 7.291 ( 20.846 -1.697 0.000) 20.915 7.332 ( -5.534 -5.855 0.000) 8.057 7.336 ( -5.211 7.524 0.000) 9.152 7.551 ( -1.212 -11.561 0.000) 11.624 7.633 ( -2.892 5.526 0.000) 6.237 7.703 ( 2.789 -1.540 0.000) 3.186 7.728 ( 6.547 12.135 0.000) 13.788 7.742 ( 6.991 10.615 0.000) 12.710 7.846 ( -12.642 4.738 0.000) 13.500 7.906 ( -6.744 6.650 0.000) 9.471 7.915 ( -8.888 -1.732 0.000) 9.055 8.047 ( -3.362 9.313 0.000) 9.901 8.158 ( 2.078 -12.400 0.000) 12.573 8.242 ( -7.100 3.280 0.000) 7.821 8.308 ( 5.459 -16.745 0.000) 17.612 8.392 ( -5.683 -8.666 0.000) 10.363 8.480 ( -0.847 4.445 0.000) 4.525 8.483 ( -9.141 0.604 0.000) 9.161 8.554 ( -8.293 -7.283 0.000) 11.037 8.601 ( 3.414 -9.696 0.000) 10.279 8.677 ( -10.031 8.309 0.000) 13.025 8.793 ( -3.662 -1.030 0.000) 3.804 8.807 ( 0.071 -1.389 0.000) 1.391 8.841 ( -8.027 -6.981 0.000) 10.638 8.971 ( 5.088 7.453 0.000) 9.024 9.098 ( 6.000 -3.705 0.000) 7.052 9.134 ( -6.061 11.536 0.000) 13.031 9.168 ( 14.659 11.581 0.000) 18.681 9.260 ( -5.282 -0.886 0.000) 5.356 9.294 ( 8.427 5.706 0.000) 10.177 9.406 ( -4.999 1.522 0.000) 5.226 9.501 ( -3.126 -5.361 0.000) 6.205 9.715 ( 20.552 5.890 0.000) 21.380 9.738 ( -3.796 5.025 0.000) 6.297 9.840 ( 11.462 5.439 0.000) 12.687 9.842 ( -5.808 -1.852 0.000) 6.096 9.911 ( 2.720 -4.088 0.000) 4.910 10.004 ( 7.032 -2.012 0.000) 7.314 10.112 ( 13.873 -14.408 0.000) 20.001 10.187 ( -1.077 -1.581 0.000) 1.913 10.220 ( 8.769 -3.913 0.000) 9.602 10.222 ( 6.002 -5.958 0.000) 8.457 10.231 ( 4.450 2.395 0.000) 5.054 10.312 ( -10.130 4.929 0.000) 11.266 10.389 ( -2.808 -0.370 0.000) 2.833 10.419 ( 15.764 -8.602 0.000) 17.958 10.576 ( -13.047 2.931 0.000) 13.373 10.638 ( 4.147 2.464 0.000) 4.823 10.644 ( -15.741 -4.239 0.000) 16.302 10.693 ( 5.236 -2.662 0.000) 5.873 10.848 ( -0.861 4.887 0.000) 4.962 10.895 ( -0.485 7.370 0.000) 7.386 10.924 ( 0.812 -2.237 0.000) 2.380 10.981 ( 6.210 -2.332 0.000) 6.634 11.020 ( -9.294 2.288 0.000) 9.571 11.082 ( -8.572 -3.493 0.000) 9.256 11.092 ( 11.217 1.344 0.000) 11.297 11.212 ( 2.071 -8.208 0.000) 8.465 11.230 ( -13.113 6.928 0.000) 14.830 11.330 ( -11.389 -3.154 0.000) 11.817 11.575 ( 2.814 14.915 0.000) 15.178 11.617 ( 1.242 8.703 0.000) 8.791 11.752 ( -2.688 -0.353 0.000) 2.711 11.804 ( -1.571 -5.347 0.000) 5.573 11.888 ( -3.829 2.534 0.000) 4.592 11.946 ( -3.643 -4.716 0.000) 5.960 11.990 ( -2.663 -6.164 0.000) 6.715 12.005 ( -0.694 -8.520 0.000) 8.548 12.169 ( 2.634 4.838 0.000) 5.509 12.210 ( 7.148 4.948 0.000) 8.693 12.249 ( -3.125 -2.853 0.000) 4.231 12.327 ( 11.459 -3.597 0.000) 12.010 12.404 ( 5.698 8.047 0.000) 9.860 12.461 ( -6.957 5.859 0.000) 9.096 12.554 ( -15.768 -0.849 0.000) 15.791 12.580 ( 0.653 -8.017 0.000) 8.043 12.636 ( -2.485 2.784 0.000) 3.732 12.719 ( -17.619 -3.725 0.000) 18.008 12.870 ( 5.824 4.370 0.000) 7.281 12.951 ( 8.529 -2.072 0.000) 8.777 13.048 ( -2.754 3.631 0.000) 4.558 13.077 ( -10.314 1.509 0.000) 10.424 13.112 ( 3.993 4.094 0.000) 5.719 13.265 ( 5.916 -10.799 0.000) 12.313 13.290 ( -5.861 2.808 0.000) 6.499 13.404 ( 0.820 -8.484 0.000) 8.523 13.511 ( 7.174 6.065 0.000) 9.394 13.596 ( -8.215 -1.101 0.000) 8.289 13.614 ( -7.239 -2.788 0.000) 7.757 13.641 ( 9.200 -6.705 0.000) 11.384 13.967 ( 7.176 13.891 0.000) 15.635 14.015 ( 10.423 6.780 0.000) 12.434 14.055 ( 10.083 2.677 0.000) 10.432 14.211 ( 4.958 -0.972 0.000) 5.053 14.214 ( 11.038 -10.377 0.000) 15.150 14.237 ( 8.164 -3.621 0.000) 8.931 14.316 ( 8.012 3.055 0.000) 8.574 14.341 ( 0.236 2.383 0.000) 2.394 14.393 ( 10.013 -4.990 0.000) 11.187 14.433 ( 2.179 -4.855 0.000) 5.322 14.690 ( 3.345 6.305 0.000) 7.137 14.821 ( 2.983 -8.115 0.000) 8.646 14.887 ( 3.215 10.313 0.000) 10.802 15.041 ( 1.387 -5.243 0.000) 5.424 15.199 ( 4.299 11.538 0.000) 12.313 15.231 ( -2.030 3.431 0.000) 3.987 15.319 ( -0.642 -4.625 0.000) 4.669 15.391 ( 5.969 -8.757 0.000) 10.598 15.561 ( 1.018 0.303 0.000) 1.062 15.574 ( 1.034 -0.665 0.000) 1.229 15.686 ( -2.861 0.143 0.000) 2.865 15.698 ( -4.378 -1.244 0.000) 4.552 15.734 ( 5.762 2.306 0.000) 6.207 15.780 ( 8.916 -2.455 0.000) 9.247 15.845 ( -3.295 1.423 0.000) 3.589 15.865 ( 1.778 -0.447 0.000) 1.833 15.983 ( -9.917 4.558 0.000) 10.914 16.087 ( -9.126 -5.561 0.000) 10.687 16.087 ( 4.943 -0.136 0.000) 4.945 16.111 ( 6.326 -2.277 0.000) 6.723 16.163 ( -7.665 4.192 0.000) 8.736 16.222 ( -0.832 5.464 0.000) 5.527 16.240 ( -2.556 -3.503 0.000) 4.336 16.340 ( 0.891 -7.756 0.000) 7.806 16.516 ( -3.629 4.313 0.000) 5.636 16.587 ( 2.801 -2.989 0.000) 4.097 17.056 ( 7.966 20.441 0.000) 21.939 17.381 ( -3.985 -13.169 0.000) 13.759 18.339 ( 1.160 7.506 0.000) 7.595 18.481 ( -7.561 -5.734 0.000) 9.489 18.616 ( -3.838 3.789 0.000) 5.393 18.737 ( 2.382 -8.021 0.000) 8.367 19.575 ( 2.995 1.275 0.000) 3.255 19.603 ( 2.671 -1.169 0.000) 2.916 19.742 ( 4.212 2.667 0.000) 4.985 19.806 ( 0.934 -3.754 0.000) 3.868 20.198 ( -29.659 0.163 0.000) 29.659 20.201 ( -28.315 -0.180 0.000) 28.315 20.519 ( -29.666 0.185 0.000) 29.667 20.522 ( -26.644 -0.094 0.000) 26.645 20.787 ( -24.388 0.241 0.000) 24.389 20.794 ( -22.720 -0.408 0.000) 22.724 21.075 ( -25.959 1.110 0.000) 25.983 21.096 ( -25.498 -1.025 0.000) 25.518 25.515 ( 13.238 -0.049 0.000) 13.238 25.515 ( 13.037 -0.082 0.000) 13.038 26.128 ( 14.383 4.287 0.000) 15.008 26.177 ( -2.362 0.070 0.000) 2.363 26.181 ( -2.368 -0.321 0.000) 2.389 26.233 ( 10.287 -6.553 0.000) 12.197 26.278 ( 3.928 4.645 0.000) 6.083 26.342 ( 5.457 -0.102 0.000) 5.458 26.476 ( 8.975 -2.522 0.000) 9.322 26.519 ( 9.166 -4.737 0.000) 10.318 26.695 ( -4.195 0.780 0.000) 4.267 26.712 ( -3.893 -1.033 0.000) 4.028 27.057 ( -11.180 10.561 0.000) 15.380 27.121 ( 12.784 4.730 0.000) 13.631 27.161 ( 12.903 2.116 0.000) 13.075 27.233 ( -12.635 5.149 0.000) 13.644 27.382 ( -8.061 -4.145 0.000) 9.064 27.448 ( 13.257 -0.856 0.000) 13.285 27.479 ( 15.486 -2.850 0.000) 15.746 27.617 ( -8.635 -15.864 0.000) 18.062 28.073 ( 8.202 1.062 0.000) 8.271 28.095 ( 12.286 -1.146 0.000) 12.339 28.456 ( -11.870 16.895 0.000) 20.648 28.673 ( -9.246 -4.204 0.000) 10.157 28.785 ( -2.303 7.272 0.000) 7.628 28.927 ( -13.734 -8.293 0.000) 16.043 29.113 ( -14.251 1.096 0.000) 14.293 29.223 ( -9.992 -11.027 0.000) 14.881 29.371 ( -8.242 1.622 0.000) 8.400 29.405 ( -7.898 -1.811 0.000) 8.103 29.663 ( -12.701 2.879 0.000) 13.024 29.732 ( -12.406 -4.174 0.000) 13.090 30.114 ( 1.778 6.510 0.000) 6.748 30.248 ( 1.200 -6.808 0.000) 6.913 30.290 ( -1.380 2.836 0.000) 3.154 30.343 ( -0.729 -1.271 0.000) 1.465 30.598 ( 1.432 8.911 0.000) 9.026 30.726 ( 1.331 2.610 0.000) 2.930 30.790 ( 2.962 -3.151 0.000) 4.325 30.801 ( -0.428 -11.855 0.000) 11.863 31.132 ( -1.671 6.436 0.000) 6.650 31.170 ( -10.975 26.036 0.000) 28.255 31.250 ( -2.388 -5.135 0.000) 5.663 31.273 ( 7.035 7.665 0.000) 10.404 31.385 ( 9.090 -4.154 0.000) 9.994 31.695 ( -20.898 -28.994 0.000) 35.741 32.585 ( -23.773 15.381 0.000) 28.315 32.798 ( -22.632 -7.827 0.000) 23.948 ======================= Grid point 15 (11/48) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 35.281 5.470 0.000) 35.703 2.767 ( 23.596 -15.458 0.000) 28.209 3.262 ( 10.442 10.480 0.000) 14.794 3.496 ( 12.355 -12.542 0.000) 17.605 3.701 ( 4.854 25.513 0.000) 25.970 3.805 ( 9.291 -1.052 0.000) 9.351 3.867 ( 10.436 -5.454 0.000) 11.775 4.094 ( 1.886 -14.561 0.000) 14.683 4.228 ( -8.236 10.001 0.000) 12.956 4.331 ( -2.859 -1.593 0.000) 3.273 4.512 ( 24.858 -2.028 0.000) 24.940 4.550 ( 18.427 -3.370 0.000) 18.733 4.738 ( 2.503 3.399 0.000) 4.221 4.839 ( 2.692 -4.983 0.000) 5.664 4.880 ( -3.570 8.385 0.000) 9.113 4.915 ( -10.603 3.422 0.000) 11.142 5.125 ( 9.967 14.227 0.000) 17.371 5.156 ( 4.010 -3.821 0.000) 5.539 5.200 ( -4.947 -8.147 0.000) 9.532 5.369 ( -3.797 -4.108 0.000) 5.594 5.375 ( -5.515 3.505 0.000) 6.534 5.480 ( -5.782 -5.318 0.000) 7.856 5.503 ( 1.499 -8.559 0.000) 8.689 5.559 ( -5.002 -8.389 0.000) 9.767 5.792 ( 12.785 6.979 0.000) 14.566 5.842 ( 9.798 5.512 0.000) 11.242 5.908 ( -2.918 6.191 0.000) 6.844 5.983 ( 1.954 -2.359 0.000) 3.063 6.117 ( -9.844 8.586 0.000) 13.062 6.201 ( -0.376 4.018 0.000) 4.036 6.225 ( 0.519 1.247 0.000) 1.351 6.327 ( -5.162 -14.161 0.000) 15.072 6.386 ( 4.091 1.579 0.000) 4.385 6.425 ( 4.032 -3.522 0.000) 5.353 6.463 ( 2.022 -0.581 0.000) 2.104 6.583 ( 2.798 -9.641 0.000) 10.039 6.596 ( -5.184 5.209 0.000) 7.348 6.731 ( -2.565 11.744 0.000) 12.021 6.798 ( 0.504 4.148 0.000) 4.179 6.814 ( 1.638 -7.768 0.000) 7.938 6.832 ( -0.744 2.005 0.000) 2.139 6.879 ( -0.356 0.998 0.000) 1.060 6.958 ( 14.313 -6.958 0.000) 15.914 7.011 ( 4.865 -3.702 0.000) 6.113 7.050 ( 0.698 5.929 0.000) 5.969 7.167 ( -1.036 -5.427 0.000) 5.525 7.178 ( -4.383 -5.157 0.000) 6.768 7.230 ( -4.678 -5.808 0.000) 7.457 7.363 ( -2.577 8.251 0.000) 8.644 7.519 ( 2.612 -7.914 0.000) 8.334 7.591 ( 2.165 7.862 0.000) 8.154 7.652 ( 16.961 4.482 0.000) 17.543 7.690 ( 0.940 -4.239 0.000) 4.342 7.743 ( 13.231 -1.083 0.000) 13.275 7.761 ( -7.216 8.302 0.000) 11.000 7.842 ( -3.097 -0.805 0.000) 3.200 7.887 ( 5.596 11.102 0.000) 12.433 8.035 ( 2.855 15.576 0.000) 15.836 8.113 ( 12.129 0.067 0.000) 12.129 8.118 ( -7.492 2.741 0.000) 7.978 8.163 ( -8.080 -0.686 0.000) 8.109 8.234 ( 15.078 0.635 0.000) 15.092 8.294 ( 29.411 -3.663 0.000) 29.638 8.352 ( -3.875 1.296 0.000) 4.086 8.408 ( -5.811 -5.593 0.000) 8.065 8.469 ( 12.599 3.519 0.000) 13.081 8.500 ( 5.662 -17.062 0.000) 17.977 8.557 ( -4.900 1.669 0.000) 5.177 8.690 ( 5.173 -15.746 0.000) 16.574 8.709 ( -5.687 -12.055 0.000) 13.329 8.810 ( 9.202 3.814 0.000) 9.961 8.896 ( 9.065 -3.438 0.000) 9.695 8.990 ( -8.285 7.395 0.000) 11.105 9.095 ( 12.960 4.663 0.000) 13.773 9.102 ( -9.841 -4.606 0.000) 10.866 9.225 ( 9.457 -7.398 0.000) 12.006 9.355 ( -1.451 7.835 0.000) 7.969 9.399 ( 6.492 14.279 0.000) 15.685 9.454 ( -4.792 -0.298 0.000) 4.801 9.486 ( 12.548 6.922 0.000) 14.331 9.629 ( -17.593 0.705 0.000) 17.607 9.664 ( -6.484 -5.608 0.000) 8.573 9.957 ( 5.352 1.081 0.000) 5.460 10.004 ( 11.817 9.695 0.000) 15.285 10.012 ( -15.140 4.628 0.000) 15.832 10.073 ( 4.817 -7.351 0.000) 8.789 10.075 ( -7.806 -2.051 0.000) 8.071 10.202 ( -16.801 3.005 0.000) 17.067 10.206 ( 8.156 -5.441 0.000) 9.805 10.239 ( -17.713 -1.325 0.000) 17.763 10.255 ( 11.191 -4.759 0.000) 12.161 10.329 ( 12.164 -16.315 0.000) 20.351 10.428 ( 6.064 0.700 0.000) 6.104 10.515 ( 1.575 -5.125 0.000) 5.361 10.558 ( 16.218 11.851 0.000) 20.087 10.749 ( 14.782 -8.546 0.000) 17.075 10.756 ( -15.034 5.768 0.000) 16.103 10.787 ( -9.579 5.947 0.000) 11.275 10.832 ( 2.647 1.625 0.000) 3.106 10.858 ( -9.697 -3.347 0.000) 10.258 10.875 ( 12.953 1.820 0.000) 13.080 10.905 ( -12.934 -6.114 0.000) 14.306 10.995 ( 14.293 4.853 0.000) 15.095 11.058 ( -2.297 5.386 0.000) 5.856 11.105 ( 15.936 -7.832 0.000) 17.757 11.142 ( -1.804 -1.400 0.000) 2.284 11.239 ( 7.010 13.271 0.000) 15.008 11.404 ( 12.115 -6.267 0.000) 13.639 11.623 ( -12.788 0.539 0.000) 12.800 11.684 ( 7.607 7.116 0.000) 10.417 11.701 ( 9.056 8.374 0.000) 12.334 11.725 ( -7.892 -9.649 0.000) 12.465 11.759 ( -11.410 5.066 0.000) 12.484 11.891 ( -8.583 -7.892 0.000) 11.660 11.917 ( 1.551 -2.119 0.000) 2.626 12.028 ( 3.147 -8.390 0.000) 8.961 12.105 ( -10.535 3.004 0.000) 10.955 12.120 ( -9.028 1.784 0.000) 9.202 12.204 ( -13.074 3.226 0.000) 13.467 12.272 ( -10.902 -3.327 0.000) 11.399 12.305 ( 2.886 9.535 0.000) 9.962 12.451 ( -8.033 11.364 0.000) 13.917 12.516 ( 5.637 -2.219 0.000) 6.058 12.532 ( 7.135 -7.100 0.000) 10.066 12.616 ( 4.430 -6.585 0.000) 7.936 12.642 ( -1.147 -7.252 0.000) 7.342 12.809 ( -12.709 5.347 0.000) 13.788 12.929 ( -9.834 -5.685 0.000) 11.359 13.012 ( 9.127 11.693 0.000) 14.833 13.059 ( 3.713 7.589 0.000) 8.449 13.218 ( -3.380 8.897 0.000) 9.518 13.271 ( 7.789 -7.973 0.000) 11.146 13.359 ( 7.809 -14.314 0.000) 16.306 13.405 ( -8.803 4.890 0.000) 10.070 13.421 ( -1.040 -9.639 0.000) 9.694 13.561 ( -2.217 -9.292 0.000) 9.553 13.695 ( 10.841 8.170 0.000) 13.575 13.833 ( 11.921 -5.481 0.000) 13.121 14.072 ( 5.061 15.903 0.000) 16.689 14.137 ( -0.191 8.109 0.000) 8.111 14.164 ( 0.222 5.522 0.000) 5.526 14.270 ( 0.753 -3.292 0.000) 3.377 14.292 ( -0.782 -4.816 0.000) 4.879 14.320 ( 1.533 -7.400 0.000) 7.557 14.440 ( 8.249 -0.174 0.000) 8.251 14.496 ( 8.706 2.814 0.000) 9.150 14.519 ( 5.199 -6.024 0.000) 7.957 14.569 ( 6.149 -4.619 0.000) 7.691 14.779 ( 6.084 6.023 0.000) 8.561 14.894 ( 4.211 -6.251 0.000) 7.537 14.903 ( -0.525 7.746 0.000) 7.764 15.026 ( -3.000 -5.120 0.000) 5.934 15.224 ( 2.306 3.985 0.000) 4.604 15.253 ( 1.760 8.524 0.000) 8.703 15.299 ( -0.884 -3.400 0.000) 3.513 15.413 ( -5.975 -8.041 0.000) 10.018 15.500 ( -9.802 1.385 0.000) 9.899 15.500 ( -5.535 0.620 0.000) 5.569 15.514 ( -5.086 -0.355 0.000) 5.098 15.539 ( -7.910 -2.757 0.000) 8.377 15.738 ( -6.131 5.394 0.000) 8.166 15.814 ( -6.548 -2.945 0.000) 7.180 15.840 ( 0.475 1.330 0.000) 1.412 15.872 ( -0.996 -2.029 0.000) 2.260 15.967 ( 1.734 3.408 0.000) 3.823 16.005 ( 7.546 -0.473 0.000) 7.561 16.088 ( -3.659 6.813 0.000) 7.734 16.117 ( 2.878 2.674 0.000) 3.929 16.188 ( 0.830 -2.716 0.000) 2.840 16.211 ( 0.264 2.362 0.000) 2.376 16.221 ( 0.397 -7.870 0.000) 7.880 16.307 ( -3.350 -7.867 0.000) 8.551 16.644 ( 13.170 7.423 0.000) 15.117 16.759 ( 12.926 -4.596 0.000) 13.719 17.112 ( -3.686 9.253 0.000) 9.960 17.267 ( -8.832 -6.573 0.000) 11.009 18.486 ( 13.424 -0.267 0.000) 13.427 18.491 ( 14.740 -0.737 0.000) 14.758 18.770 ( 19.229 9.033 0.000) 21.245 18.942 ( 17.587 -8.223 0.000) 19.415 19.574 ( -34.337 1.397 0.000) 34.365 19.607 ( -32.811 -1.962 0.000) 32.869 19.695 ( 9.667 0.847 0.000) 9.704 19.718 ( 9.429 -1.301 0.000) 9.518 19.881 ( 10.593 0.507 0.000) 10.605 19.892 ( 8.516 -0.503 0.000) 8.530 19.901 ( -33.503 3.287 0.000) 33.663 19.960 ( -30.678 -2.641 0.000) 30.792 20.327 ( -22.425 1.005 0.000) 22.447 20.351 ( -22.223 -1.456 0.000) 22.271 20.570 ( -25.172 1.547 0.000) 25.219 20.598 ( -25.061 -1.211 0.000) 25.090 25.758 ( 11.826 0.065 0.000) 11.826 25.761 ( 11.961 -0.235 0.000) 11.964 26.101 ( -5.516 0.168 0.000) 5.519 26.107 ( -5.482 -0.435 0.000) 5.499 26.338 ( 7.882 1.937 0.000) 8.116 26.380 ( 5.283 -2.286 0.000) 5.756 26.381 ( 6.058 5.479 0.000) 8.168 26.456 ( 4.678 -0.557 0.000) 4.711 26.596 ( -1.209 0.263 0.000) 1.237 26.624 ( 0.232 -1.361 0.000) 1.381 26.689 ( 10.493 -0.972 0.000) 10.537 26.775 ( 12.073 -7.268 0.000) 14.092 26.834 ( -11.508 8.864 0.000) 14.526 26.979 ( -13.226 1.561 0.000) 13.318 27.177 ( -12.489 -3.317 0.000) 12.922 27.366 ( -15.834 -15.294 0.000) 22.014 27.395 ( 15.564 6.085 0.000) 16.711 27.441 ( 15.974 2.958 0.000) 16.246 27.722 ( 15.124 1.651 0.000) 15.214 27.812 ( 18.306 -6.140 0.000) 19.308 28.024 ( -12.660 8.819 0.000) 15.429 28.114 ( -16.107 5.301 0.000) 16.957 28.235 ( -6.122 6.757 0.000) 9.118 28.493 ( -13.590 -14.058 0.000) 19.553 28.814 ( 7.113 4.628 0.000) 8.486 28.864 ( 8.643 0.765 0.000) 8.677 28.976 ( 1.471 3.120 0.000) 3.449 29.110 ( -1.670 -8.910 0.000) 9.065 29.207 ( -8.563 2.130 0.000) 8.824 29.255 ( -7.354 -2.639 0.000) 7.813 29.387 ( -15.629 3.111 0.000) 15.935 29.455 ( -15.766 -3.774 0.000) 16.212 30.155 ( 2.416 6.528 0.000) 6.960 30.253 ( -2.333 4.458 0.000) 5.031 30.272 ( 1.351 -3.885 0.000) 4.113 30.324 ( -1.136 -1.361 0.000) 1.773 30.645 ( 3.086 4.097 0.000) 5.129 30.735 ( -0.649 3.780 0.000) 3.835 30.806 ( 1.342 -10.371 0.000) 10.458 30.842 ( 1.996 -5.299 0.000) 5.662 31.029 ( -3.757 15.067 0.000) 15.528 31.075 ( -3.443 6.759 0.000) 7.585 31.197 ( -2.020 -5.727 0.000) 6.073 31.367 ( -12.989 -20.949 0.000) 24.648 31.478 ( 13.306 10.119 0.000) 16.717 31.632 ( 15.573 -6.186 0.000) 16.756 32.149 ( -21.177 15.105 0.000) 26.012 32.366 ( -21.799 -8.236 0.000) 23.303 ======================= Grid point 16 (12/48) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.169 ( -16.628 1.379 0.000) 16.685 3.169 ( 16.628 1.379 0.000) 16.685 3.238 ( -30.365 -5.104 0.000) 30.791 3.238 ( 30.365 -5.104 0.000) 30.791 3.814 ( -7.594 9.307 0.000) 12.013 3.814 ( 7.594 9.307 0.000) 12.013 3.968 ( -9.961 -5.973 0.000) 11.615 3.968 ( 9.961 -5.973 0.000) 11.615 4.518 ( -23.957 4.635 0.000) 24.402 4.518 ( 23.957 4.635 0.000) 24.402 4.588 ( -18.830 -1.113 0.000) 18.863 4.588 ( 18.830 -1.113 0.000) 18.863 4.810 ( -2.235 -1.229 0.000) 2.551 4.810 ( 2.235 -1.229 0.000) 2.551 4.861 ( -3.784 -6.288 0.000) 7.339 4.861 ( 3.784 -6.288 0.000) 7.339 5.132 ( -10.050 7.849 0.000) 12.752 5.132 ( 10.050 7.849 0.000) 12.752 5.209 ( -7.078 4.098 0.000) 8.178 5.209 ( 7.078 4.098 0.000) 8.178 5.465 ( -2.964 -6.488 0.000) 7.133 5.465 ( 2.964 -6.488 0.000) 7.133 5.535 ( -6.099 -11.330 0.000) 12.867 5.535 ( 6.099 -11.330 0.000) 12.867 5.865 ( -6.013 11.537 0.000) 13.010 5.865 ( 6.013 11.537 0.000) 13.010 6.032 ( -11.867 10.056 0.000) 15.555 6.032 ( 11.867 10.056 0.000) 15.555 6.081 ( -8.609 4.460 0.000) 9.696 6.081 ( 8.609 4.460 0.000) 9.696 6.137 ( -9.933 -13.447 0.000) 16.718 6.137 ( 9.933 -13.447 0.000) 16.718 6.495 ( -0.781 1.518 0.000) 1.707 6.495 ( 0.781 1.518 0.000) 1.707 6.562 ( -5.348 -1.248 0.000) 5.492 6.562 ( 5.348 -1.248 0.000) 5.492 6.678 ( -13.109 -1.989 0.000) 13.259 6.678 ( 13.109 -1.989 0.000) 13.259 6.708 ( -3.112 0.388 0.000) 3.136 6.708 ( 3.112 0.388 0.000) 3.136 6.855 ( -2.058 1.447 0.000) 2.515 6.855 ( 2.058 1.447 0.000) 2.515 7.084 ( -4.868 -3.463 0.000) 5.974 7.084 ( 4.868 -3.463 0.000) 5.974 7.110 ( -4.021 -6.510 0.000) 7.652 7.110 ( 4.021 -6.510 0.000) 7.652 7.161 ( -2.970 -2.020 0.000) 3.592 7.161 ( 2.970 -2.020 0.000) 3.592 7.497 ( -14.849 9.746 0.000) 17.761 7.497 ( 14.849 9.746 0.000) 17.761 7.631 ( -10.454 -4.790 0.000) 11.499 7.631 ( 10.454 -4.790 0.000) 11.499 7.708 ( -6.169 8.921 0.000) 10.846 7.708 ( 6.169 8.921 0.000) 10.846 7.822 ( -5.493 0.218 0.000) 5.498 7.822 ( 5.493 0.218 0.000) 5.498 8.005 ( -3.978 4.883 0.000) 6.298 8.005 ( 3.978 4.883 0.000) 6.299 8.108 ( -6.895 -3.913 0.000) 7.928 8.108 ( 6.895 -3.913 0.000) 7.928 8.256 ( -5.575 5.808 0.000) 8.051 8.256 ( 5.575 5.808 0.000) 8.051 8.342 ( -1.402 2.591 0.000) 2.946 8.342 ( 1.402 2.591 0.000) 2.946 8.493 ( -1.391 -5.874 0.000) 6.036 8.493 ( 1.391 -5.874 0.000) 6.036 8.607 ( -5.356 -11.786 0.000) 12.946 8.607 ( 5.356 -11.786 0.000) 12.946 8.834 ( -9.357 2.024 0.000) 9.573 8.834 ( 9.357 2.024 0.000) 9.573 8.892 ( -12.869 -5.323 0.000) 13.927 8.892 ( 12.869 -5.323 0.000) 13.927 9.145 ( -22.924 2.656 0.000) 23.078 9.145 ( 22.924 2.656 0.000) 23.078 9.198 ( -20.642 -2.334 0.000) 20.773 9.198 ( 20.642 -2.334 0.000) 20.773 9.350 ( -7.714 8.516 0.000) 11.490 9.350 ( 7.714 8.516 0.000) 11.490 9.488 ( -11.953 -6.988 0.000) 13.846 9.488 ( 11.953 -6.988 0.000) 13.846 9.681 ( -25.402 4.636 0.000) 25.821 9.681 ( 25.402 4.636 0.000) 25.821 9.713 ( -15.386 3.769 0.000) 15.841 9.713 ( 15.386 3.769 0.000) 15.841 10.023 ( -2.947 1.403 0.000) 3.264 10.023 ( 2.947 1.403 0.000) 3.264 10.094 ( -0.424 -4.698 0.000) 4.717 10.094 ( 0.424 -4.698 0.000) 4.717 10.300 ( -16.541 5.060 0.000) 17.298 10.300 ( 16.541 5.060 0.000) 17.298 10.410 ( -9.601 -1.494 0.000) 9.716 10.410 ( 9.601 -1.494 0.000) 9.716 10.496 ( -17.701 -4.323 0.000) 18.222 10.496 ( 17.701 -4.323 0.000) 18.222 10.577 ( -12.195 -7.352 0.000) 14.240 10.577 ( 12.195 -7.352 0.000) 14.240 10.710 ( -1.553 7.986 0.000) 8.135 10.710 ( 1.553 7.986 0.000) 8.135 10.854 ( -4.748 -4.385 0.000) 6.463 10.854 ( 4.748 -4.385 0.000) 6.463 11.000 ( -9.286 2.006 0.000) 9.500 11.000 ( 9.286 2.006 0.000) 9.500 11.058 ( -11.963 -3.592 0.000) 12.490 11.058 ( 11.963 -3.592 0.000) 12.490 11.285 ( -16.098 8.030 0.000) 17.990 11.285 ( 16.098 8.030 0.000) 17.990 11.430 ( -16.555 -1.284 0.000) 16.604 11.430 ( 16.555 -1.284 0.000) 16.604 11.514 ( -16.812 3.426 0.000) 17.157 11.514 ( 16.812 3.426 0.000) 17.157 11.666 ( -14.098 -7.775 0.000) 16.100 11.666 ( 14.098 -7.775 0.000) 16.100 11.891 ( -11.666 4.454 0.000) 12.487 11.891 ( 11.666 4.454 0.000) 12.487 11.902 ( -12.587 1.523 0.000) 12.679 11.902 ( 12.587 1.523 0.000) 12.679 12.009 ( -7.200 2.480 0.000) 7.615 12.009 ( 7.200 2.480 0.000) 7.615 12.119 ( -6.026 -5.373 0.000) 8.073 12.119 ( 6.026 -5.373 0.000) 8.073 12.351 ( -2.953 12.939 0.000) 13.272 12.351 ( 2.953 12.939 0.000) 13.272 12.597 ( -3.798 -11.155 0.000) 11.784 12.597 ( 3.798 -11.155 0.000) 11.784 12.637 ( -5.208 0.940 0.000) 5.292 12.637 ( 5.208 0.940 0.000) 5.292 12.744 ( -8.279 -9.375 0.000) 12.507 12.744 ( 8.279 -9.375 0.000) 12.507 13.137 ( -4.655 11.380 0.000) 12.295 13.137 ( 4.655 11.380 0.000) 12.295 13.216 ( -10.778 12.182 0.000) 16.265 13.216 ( 10.778 12.182 0.000) 16.266 13.369 ( -4.054 -9.197 0.000) 10.051 13.369 ( 4.054 -9.197 0.000) 10.051 13.501 ( -4.649 -14.828 0.000) 15.540 13.501 ( 4.649 -14.828 0.000) 15.540 13.956 ( -14.624 8.336 0.000) 16.833 13.956 ( 14.624 8.336 0.000) 16.833 14.096 ( -13.364 -5.522 0.000) 14.460 14.096 ( 13.364 -5.522 0.000) 14.460 14.159 ( -3.261 12.651 0.000) 13.065 14.159 ( 3.261 12.651 0.000) 13.065 14.329 ( -0.946 -3.734 0.000) 3.852 14.329 ( 0.946 -3.734 0.000) 3.852 14.566 ( -2.729 -2.104 0.000) 3.446 14.566 ( 2.729 -2.104 0.000) 3.446 14.588 ( -2.261 -6.058 0.000) 6.466 14.588 ( 2.261 -6.058 0.000) 6.466 14.880 ( -2.578 6.091 0.000) 6.614 14.880 ( 2.578 6.091 0.000) 6.614 14.959 ( -3.221 -2.389 0.000) 4.011 14.959 ( 3.221 -2.389 0.000) 4.011 15.288 ( -1.168 1.867 0.000) 2.202 15.288 ( 1.168 1.867 0.000) 2.202 15.314 ( -4.360 -0.089 0.000) 4.361 15.314 ( 4.360 -0.089 0.000) 4.361 15.375 ( -4.445 2.727 0.000) 5.215 15.375 ( 4.445 2.727 0.000) 5.215 15.452 ( -0.513 -4.496 0.000) 4.525 15.452 ( 0.513 -4.496 0.000) 4.525 15.753 ( -5.504 2.223 0.000) 5.937 15.753 ( 5.504 2.223 0.000) 5.937 15.802 ( -4.018 -3.032 0.000) 5.034 15.802 ( 4.018 -3.032 0.000) 5.034 16.026 ( -3.225 7.114 0.000) 7.811 16.026 ( 3.225 7.114 0.000) 7.811 16.136 ( -5.400 -3.097 0.000) 6.225 16.136 ( 5.400 -3.097 0.000) 6.225 16.186 ( -2.955 1.277 0.000) 3.219 16.186 ( 2.955 1.277 0.000) 3.219 16.251 ( -2.434 -5.708 0.000) 6.205 16.251 ( 2.434 -5.708 0.000) 6.205 16.923 ( -14.010 6.558 0.000) 15.469 16.923 ( 14.010 6.558 0.000) 15.469 17.034 ( -14.401 -4.740 0.000) 15.161 17.034 ( 14.401 -4.740 0.000) 15.161 18.925 ( -30.943 1.819 0.000) 30.996 18.925 ( 30.943 1.819 0.000) 30.996 18.974 ( -31.271 -3.380 0.000) 31.453 18.974 ( 31.271 -3.380 0.000) 31.453 19.270 ( -30.754 6.776 0.000) 31.492 19.270 ( 30.754 6.776 0.000) 31.492 19.386 ( -27.558 -5.088 0.000) 28.024 19.386 ( 27.558 -5.088 0.000) 28.024 19.948 ( -16.512 0.722 0.000) 16.528 19.948 ( 16.512 0.722 0.000) 16.528 19.970 ( -16.725 -1.455 0.000) 16.788 19.970 ( 16.725 -1.455 0.000) 16.788 20.146 ( -18.058 1.329 0.000) 18.107 20.146 ( 18.058 1.329 0.000) 18.107 20.167 ( -18.921 -0.857 0.000) 18.941 20.167 ( 18.921 -0.857 0.000) 18.941 25.961 ( -9.027 0.145 0.000) 9.028 25.961 ( 9.027 0.145 0.000) 9.028 25.966 ( -9.104 -0.367 0.000) 9.111 25.966 ( 9.104 -0.367 0.000) 9.111 26.444 ( -1.014 1.469 0.000) 1.785 26.444 ( 1.014 1.469 0.000) 1.785 26.449 ( -3.880 0.597 0.000) 3.926 26.449 ( 3.880 0.597 0.000) 3.926 26.639 ( -7.547 5.444 0.000) 9.306 26.639 ( 7.547 5.444 0.000) 9.306 26.742 ( -10.714 -0.551 0.000) 10.728 26.742 ( 10.714 -0.551 0.000) 10.728 26.925 ( -13.110 -2.504 0.000) 13.347 26.925 ( 13.110 -2.504 0.000) 13.347 27.053 ( -15.931 -11.193 0.000) 19.470 27.053 ( 15.931 -11.193 0.000) 19.470 27.715 ( -17.241 8.184 0.000) 19.085 27.715 ( 17.241 8.184 0.000) 19.085 27.770 ( -17.940 5.174 0.000) 18.671 27.770 ( 17.940 5.174 0.000) 18.671 28.016 ( -14.714 2.945 0.000) 15.006 28.016 ( 14.714 2.945 0.000) 15.006 28.170 ( -18.350 -9.840 0.000) 20.822 28.170 ( 18.350 -9.840 0.000) 20.822 29.044 ( -8.691 3.603 0.000) 9.409 29.044 ( 8.691 3.603 0.000) 9.409 29.072 ( -15.525 3.008 0.000) 15.814 29.072 ( 15.525 3.008 0.000) 15.814 29.138 ( -7.286 -4.098 0.000) 8.359 29.138 ( 7.286 -4.098 0.000) 8.359 29.153 ( -12.182 -3.413 0.000) 12.651 29.153 ( 12.182 -3.413 0.000) 12.651 30.205 ( -2.639 5.893 0.000) 6.457 30.205 ( 2.639 5.893 0.000) 6.457 30.300 ( -1.408 -2.134 0.000) 2.557 30.300 ( 1.408 -2.134 0.000) 2.557 30.702 ( -2.557 3.173 0.000) 4.075 30.702 ( 2.557 3.173 0.000) 4.075 30.845 ( -1.746 -8.275 0.000) 8.457 30.845 ( 1.746 -8.275 0.000) 8.457 31.018 ( -1.950 8.864 0.000) 9.076 31.018 ( 1.950 8.864 0.000) 9.076 31.204 ( -3.801 -11.523 0.000) 12.133 31.204 ( 3.801 -11.523 0.000) 12.133 31.776 ( -17.483 13.057 0.000) 21.820 31.776 ( 17.483 13.057 0.000) 21.820 31.969 ( -19.178 -7.556 0.000) 20.613 31.969 ( 19.178 -7.556 0.000) 20.613 ======================= Grid point 33 (13/48) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 0.000 0.000 48.111) 48.111 0.971 ( 0.000 0.000 50.418) 50.418 1.414 ( 0.000 0.000 73.004) 73.004 2.578 ( 0.000 0.000 9.241) 9.241 2.626 ( 0.000 0.000 16.086) 16.086 2.652 ( 0.000 0.000 17.605) 17.605 2.692 ( 0.000 0.000 15.064) 15.064 3.403 ( 0.000 0.000 -5.220) 5.220 3.504 ( 0.000 0.000 9.303) 9.303 3.915 ( 0.000 0.000 -7.892) 7.892 3.961 ( 0.000 0.000 -10.351) 10.351 4.063 ( 0.000 0.000 -14.301) 14.301 4.100 ( 0.000 0.000 -9.931) 9.931 4.101 ( 0.000 0.000 -2.686) 2.686 4.449 ( 0.000 0.000 -7.769) 7.769 4.463 ( 0.000 0.000 4.142) 4.142 4.494 ( 0.000 0.000 4.485) 4.485 4.633 ( 0.000 0.000 9.858) 9.858 4.682 ( 0.000 0.000 -11.146) 11.146 4.701 ( 0.000 0.000 7.841) 7.841 4.787 ( 0.000 0.000 1.173) 1.173 5.041 ( 0.000 0.000 25.425) 25.425 5.059 ( 0.000 0.000 -33.604) 33.604 5.069 ( 0.000 0.000 18.149) 18.149 5.235 ( 0.000 0.000 -8.511) 8.511 5.298 ( 0.000 0.000 4.045) 4.045 5.601 ( 0.000 0.000 -4.878) 4.878 5.666 ( 0.000 0.000 -2.923) 2.923 5.799 ( 0.000 0.000 8.827) 8.827 5.812 ( 0.000 0.000 12.250) 12.250 5.824 ( 0.000 0.000 4.129) 4.129 6.019 ( 0.000 0.000 14.329) 14.329 6.026 ( 0.000 0.000 -0.847) 0.847 6.118 ( 0.000 0.000 -7.103) 7.103 6.214 ( 0.000 0.000 3.417) 3.417 6.241 ( 0.000 0.000 1.481) 1.481 6.427 ( 0.000 0.000 -16.528) 16.528 6.440 ( 0.000 0.000 -2.792) 2.792 6.507 ( 0.000 0.000 15.218) 15.218 6.525 ( 0.000 0.000 -7.148) 7.148 6.584 ( 0.000 0.000 -2.976) 2.976 6.605 ( 0.000 0.000 -0.764) 0.764 6.725 ( 0.000 0.000 -15.096) 15.096 6.768 ( 0.000 0.000 -2.612) 2.612 6.875 ( 0.000 0.000 3.795) 3.795 6.879 ( 0.000 0.000 0.999) 0.999 7.058 ( 0.000 0.000 0.207) 0.207 7.059 ( 0.000 0.000 -2.588) 2.588 7.115 ( 0.000 0.000 6.290) 6.290 7.274 ( 0.000 0.000 3.517) 3.517 7.379 ( 0.000 0.000 -11.425) 11.425 7.476 ( 0.000 0.000 -5.316) 5.316 7.500 ( 0.000 0.000 -11.939) 11.939 7.510 ( 0.000 0.000 -7.809) 7.809 8.017 ( 0.000 0.000 -9.742) 9.742 8.051 ( 0.000 0.000 -16.737) 16.737 8.099 ( 0.000 0.000 2.509) 2.509 8.109 ( 0.000 0.000 -5.690) 5.690 8.206 ( 0.000 0.000 -10.187) 10.187 8.275 ( 0.000 0.000 -12.614) 12.614 8.276 ( 0.000 0.000 -9.646) 9.646 8.355 ( 0.000 0.000 10.639) 10.639 8.426 ( 0.000 0.000 -4.048) 4.048 8.557 ( 0.000 0.000 -8.658) 8.658 8.612 ( 0.000 0.000 -8.109) 8.109 8.619 ( 0.000 0.000 2.912) 2.912 8.637 ( 0.000 0.000 -1.001) 1.001 8.675 ( 0.000 0.000 3.075) 3.075 8.783 ( 0.000 0.000 18.419) 18.419 8.831 ( 0.000 0.000 4.050) 4.050 8.894 ( 0.000 0.000 4.144) 4.144 9.028 ( 0.000 0.000 5.172) 5.172 9.098 ( 0.000 0.000 -7.000) 7.000 9.199 ( 0.000 0.000 12.582) 12.582 9.211 ( 0.000 0.000 11.002) 11.002 9.223 ( 0.000 0.000 8.254) 8.254 9.456 ( 0.000 0.000 -2.417) 2.417 9.476 ( 0.000 0.000 8.911) 8.911 9.504 ( 0.000 0.000 3.295) 3.295 9.610 ( 0.000 0.000 6.071) 6.071 9.656 ( 0.000 0.000 1.636) 1.636 9.683 ( 0.000 0.000 2.577) 2.577 9.704 ( 0.000 0.000 -0.931) 0.931 9.930 ( 0.000 0.000 -0.124) 0.124 10.036 ( 0.000 0.000 -2.648) 2.648 10.068 ( 0.000 0.000 3.809) 3.809 10.090 ( 0.000 0.000 14.728) 14.728 10.135 ( 0.000 0.000 -0.405) 0.405 10.227 ( 0.000 0.000 -1.046) 1.046 10.227 ( 0.000 0.000 -1.050) 1.050 10.257 ( 0.000 0.000 -0.798) 0.798 10.323 ( 0.000 0.000 0.979) 0.979 10.413 ( 0.000 0.000 5.001) 5.001 10.527 ( 0.000 0.000 3.331) 3.331 10.534 ( 0.000 0.000 0.113) 0.113 10.660 ( 0.000 0.000 -6.229) 6.229 10.743 ( 0.000 0.000 -13.647) 13.647 10.766 ( 0.000 0.000 -9.438) 9.438 10.848 ( 0.000 0.000 2.568) 2.568 10.956 ( 0.000 0.000 7.796) 7.796 11.043 ( 0.000 0.000 -5.835) 5.835 11.081 ( 0.000 0.000 -2.250) 2.250 11.184 ( 0.000 0.000 -1.396) 1.396 11.231 ( 0.000 0.000 1.078) 1.078 11.262 ( 0.000 0.000 -2.843) 2.843 11.405 ( 0.000 0.000 3.343) 3.343 11.448 ( 0.000 0.000 -13.905) 13.905 11.472 ( 0.000 0.000 -4.422) 4.422 11.491 ( 0.000 0.000 -1.148) 1.148 11.592 ( 0.000 0.000 -11.878) 11.878 11.673 ( 0.000 0.000 -6.523) 6.523 11.713 ( 0.000 0.000 -9.274) 9.274 11.750 ( 0.000 0.000 6.092) 6.092 11.792 ( 0.000 0.000 -3.487) 3.487 11.895 ( 0.000 0.000 -6.283) 6.283 11.918 ( 0.000 0.000 -0.151) 0.151 12.119 ( 0.000 0.000 -5.533) 5.533 12.136 ( 0.000 0.000 1.783) 1.783 12.245 ( 0.000 0.000 -1.551) 1.551 12.251 ( 0.000 0.000 0.629) 0.629 12.275 ( 0.000 0.000 -2.655) 2.655 12.393 ( 0.000 0.000 0.045) 0.045 12.438 ( 0.000 0.000 -3.753) 3.753 12.569 ( 0.000 0.000 5.696) 5.696 12.613 ( 0.000 0.000 -1.160) 1.160 12.777 ( 0.000 0.000 -5.749) 5.749 12.836 ( 0.000 0.000 -4.695) 4.695 12.897 ( 0.000 0.000 -2.296) 2.296 12.973 ( 0.000 0.000 2.161) 2.161 13.117 ( 0.000 0.000 4.285) 4.285 13.164 ( 0.000 0.000 5.779) 5.779 13.238 ( 0.000 0.000 -7.065) 7.065 13.368 ( 0.000 0.000 4.426) 4.426 13.368 ( 0.000 0.000 -3.284) 3.284 13.448 ( 0.000 0.000 13.341) 13.341 13.519 ( 0.000 0.000 -3.623) 3.623 13.521 ( 0.000 0.000 -3.465) 3.465 13.726 ( 0.000 0.000 2.862) 2.862 13.737 ( 0.000 0.000 0.141) 0.141 13.831 ( 0.000 0.000 2.205) 2.205 13.840 ( 0.000 0.000 9.667) 9.667 13.936 ( 0.000 0.000 4.635) 4.635 14.005 ( 0.000 0.000 12.414) 12.414 14.030 ( 0.000 0.000 7.088) 7.088 14.194 ( 0.000 0.000 -1.106) 1.106 14.233 ( 0.000 0.000 -4.080) 4.080 14.267 ( 0.000 0.000 0.260) 0.260 14.358 ( 0.000 0.000 -9.275) 9.275 14.540 ( 0.000 0.000 -0.589) 0.589 14.676 ( 0.000 0.000 14.197) 14.197 14.710 ( 0.000 0.000 -2.559) 2.559 14.762 ( 0.000 0.000 -4.087) 4.087 14.980 ( 0.000 0.000 -8.509) 8.509 15.051 ( 0.000 0.000 4.130) 4.130 15.227 ( 0.000 0.000 -4.921) 4.921 15.249 ( 0.000 0.000 3.079) 3.079 15.261 ( 0.000 0.000 6.039) 6.039 15.404 ( 0.000 0.000 1.847) 1.847 15.417 ( 0.000 0.000 3.862) 3.862 15.447 ( 0.000 0.000 -3.643) 3.643 15.456 ( 0.000 0.000 -6.978) 6.978 15.667 ( 0.000 0.000 -0.503) 0.503 15.707 ( 0.000 0.000 4.172) 4.172 15.741 ( 0.000 0.000 5.229) 5.229 15.901 ( 0.000 0.000 -8.734) 8.734 15.909 ( 0.000 0.000 3.062) 3.062 15.977 ( 0.000 0.000 -8.385) 8.385 16.069 ( 0.000 0.000 -3.323) 3.323 16.218 ( 0.000 0.000 10.059) 10.059 16.414 ( 0.000 0.000 9.124) 9.124 16.499 ( 0.000 0.000 2.533) 2.533 16.670 ( 0.000 0.000 1.916) 1.916 16.724 ( 0.000 0.000 7.056) 7.056 16.760 ( 0.000 0.000 10.663) 10.663 17.051 ( 0.000 0.000 -1.588) 1.588 17.077 ( 0.000 0.000 2.690) 2.690 18.676 ( 0.000 0.000 1.256) 1.256 18.850 ( 0.000 0.000 -12.323) 12.323 18.866 ( 0.000 0.000 -6.356) 6.356 19.107 ( 0.000 0.000 -4.403) 4.403 19.576 ( 0.000 0.000 -0.032) 0.032 19.668 ( 0.000 0.000 -0.946) 0.946 19.756 ( 0.000 0.000 -4.732) 4.732 19.896 ( 0.000 0.000 -6.436) 6.436 21.176 ( 0.000 0.000 6.422) 6.422 21.274 ( 0.000 0.000 1.960) 1.960 21.352 ( 0.000 0.000 2.263) 2.263 21.478 ( 0.000 0.000 -1.120) 1.120 21.546 ( 0.000 0.000 4.472) 4.472 21.760 ( 0.000 0.000 0.376) 0.376 21.906 ( 0.000 0.000 -1.290) 1.290 21.921 ( 0.000 0.000 -1.946) 1.946 24.990 ( 0.000 0.000 0.093) 0.093 24.991 ( 0.000 0.000 0.055) 0.055 25.004 ( 0.000 0.000 -0.171) 0.171 25.005 ( 0.000 0.000 -0.141) 0.141 26.154 ( 0.000 0.000 2.858) 2.858 26.249 ( 0.000 0.000 3.072) 3.072 26.291 ( 0.000 0.000 -0.267) 0.267 26.319 ( 0.000 0.000 2.616) 2.616 26.354 ( 0.000 0.000 5.110) 5.110 26.665 ( 0.000 0.000 -3.300) 3.300 26.700 ( 0.000 0.000 2.621) 2.621 26.734 ( 0.000 0.000 1.648) 1.648 26.746 ( 0.000 0.000 -1.627) 1.627 26.972 ( 0.000 0.000 -3.084) 3.084 27.163 ( 0.000 0.000 -0.771) 0.771 27.210 ( 0.000 0.000 -0.813) 0.813 27.256 ( 0.000 0.000 2.873) 2.873 27.291 ( 0.000 0.000 1.176) 1.176 27.367 ( 0.000 0.000 -0.050) 0.050 27.405 ( 0.000 0.000 -0.695) 0.695 27.424 ( 0.000 0.000 0.557) 0.557 27.437 ( 0.000 0.000 0.074) 0.074 28.094 ( 0.000 0.000 2.152) 2.152 28.460 ( 0.000 0.000 -3.961) 3.961 29.165 ( 0.000 0.000 -7.874) 7.874 29.479 ( 0.000 0.000 0.745) 0.745 29.524 ( 0.000 0.000 -1.461) 1.461 29.585 ( 0.000 0.000 -14.231) 14.231 29.832 ( 0.000 0.000 10.586) 10.586 29.969 ( 0.000 0.000 5.941) 5.941 30.065 ( 0.000 0.000 0.157) 0.157 30.125 ( 0.000 0.000 5.653) 5.653 30.150 ( 0.000 0.000 0.594) 0.594 30.304 ( 0.000 0.000 -2.396) 2.396 30.304 ( 0.000 0.000 1.436) 1.436 30.419 ( 0.000 0.000 8.501) 8.501 30.600 ( 0.000 0.000 6.732) 6.732 30.636 ( 0.000 0.000 2.253) 2.253 30.647 ( 0.000 0.000 1.424) 1.424 30.709 ( 0.000 0.000 -2.600) 2.600 30.835 ( 0.000 0.000 -4.265) 4.265 31.104 ( 0.000 0.000 -2.799) 2.799 31.227 ( 0.000 0.000 1.921) 1.921 31.353 ( 0.000 0.000 -1.180) 1.180 33.025 ( 0.000 0.000 -2.292) 2.292 33.368 ( 0.000 0.000 -1.695) 1.695 33.418 ( 0.000 0.000 -9.755) 9.755 33.570 ( 0.000 0.000 -5.078) 5.078 ======================= Grid point 34 (14/48) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 9.962 0.000 43.285) 44.416 1.462 ( 38.563 0.000 39.019) 54.860 1.691 ( 29.287 0.000 53.195) 60.724 2.564 ( 0.879 0.000 3.057) 3.181 2.630 ( -0.331 0.000 3.822) 3.836 2.828 ( 14.733 0.000 17.068) 22.548 2.855 ( 16.462 0.000 20.576) 26.351 3.482 ( 0.608 0.000 1.165) 1.314 3.679 ( 3.500 0.000 4.786) 5.929 3.728 ( 25.858 0.000 -5.668) 26.471 4.128 ( 9.313 0.000 -15.123) 17.761 4.361 ( 21.480 0.000 -2.214) 21.594 4.413 ( 12.779 0.000 -5.408) 13.876 4.539 ( 27.632 0.000 -15.548) 31.706 4.552 ( 1.560 0.000 -0.414) 1.614 4.595 ( 20.047 0.000 5.237) 20.720 4.659 ( 3.287 0.000 -7.287) 7.994 4.754 ( 21.886 0.000 -5.488) 22.564 4.789 ( 11.354 0.000 6.611) 13.139 4.827 ( 17.363 0.000 -3.516) 17.715 4.926 ( 24.839 0.000 1.734) 24.899 5.075 ( 4.835 0.000 9.341) 10.518 5.096 ( 7.299 0.000 14.909) 16.600 5.156 ( 8.665 0.000 -20.696) 22.437 5.321 ( 5.617 0.000 3.392) 6.562 5.416 ( 14.069 0.000 3.887) 14.596 5.536 ( -8.344 0.000 0.354) 8.352 5.604 ( 0.087 0.000 11.417) 11.417 5.734 ( 2.044 0.000 -4.166) 4.641 5.880 ( 0.378 0.000 -0.276) 0.468 5.891 ( 2.545 0.000 1.820) 3.129 5.978 ( 1.673 0.000 -4.583) 4.879 6.100 ( 6.660 0.000 8.672) 10.934 6.187 ( 3.937 0.000 -0.580) 3.980 6.255 ( 3.552 0.000 12.883) 13.364 6.285 ( 3.975 0.000 11.023) 11.717 6.379 ( -3.545 0.000 -3.116) 4.719 6.422 ( -6.942 0.000 -3.510) 7.779 6.513 ( -0.188 0.000 13.111) 13.113 6.526 ( -3.142 0.000 -5.908) 6.691 6.568 ( 6.502 0.000 -12.593) 14.173 6.591 ( -6.977 0.000 -5.077) 8.629 6.659 ( 2.835 0.000 -2.160) 3.564 6.776 ( 4.950 0.000 -10.868) 11.942 6.801 ( -6.180 0.000 5.499) 8.273 6.830 ( -9.405 0.000 -5.875) 11.090 7.007 ( 0.322 0.000 5.186) 5.196 7.070 ( 3.996 0.000 4.959) 6.369 7.301 ( 6.592 0.000 3.270) 7.359 7.321 ( -4.020 0.000 -1.022) 4.148 7.329 ( 9.200 0.000 0.399) 9.209 7.435 ( 3.496 0.000 -7.409) 8.192 7.596 ( 8.320 0.000 -5.634) 10.048 7.699 ( 12.463 0.000 -13.312) 18.235 7.902 ( -8.347 0.000 -7.273) 11.071 8.008 ( -11.170 0.000 0.192) 11.172 8.066 ( -2.836 0.000 -14.246) 14.526 8.137 ( 0.401 0.000 -3.145) 3.171 8.198 ( -7.191 0.000 13.396) 15.204 8.217 ( 4.485 0.000 -3.426) 5.644 8.291 ( -0.918 0.000 -10.324) 10.365 8.356 ( 4.016 0.000 -10.057) 10.829 8.396 ( -2.242 0.000 -2.065) 3.048 8.476 ( -7.873 0.000 5.116) 9.389 8.548 ( -4.996 0.000 2.743) 5.700 8.589 ( 0.373 0.000 -5.066) 5.080 8.637 ( 1.653 0.000 -7.652) 7.829 8.672 ( -0.951 0.000 1.958) 2.177 8.737 ( -0.892 0.000 1.374) 1.638 8.809 ( -4.535 0.000 3.327) 5.625 8.821 ( -7.102 0.000 3.408) 7.877 9.000 ( -1.939 0.000 6.460) 6.745 9.072 ( 2.259 0.000 5.498) 5.945 9.094 ( -9.897 0.000 10.704) 14.578 9.212 ( -1.496 0.000 2.559) 2.964 9.229 ( -5.946 0.000 10.447) 12.021 9.351 ( -8.961 0.000 3.814) 9.739 9.374 ( -13.897 0.000 8.201) 16.136 9.474 ( -9.671 0.000 -5.730) 11.241 9.487 ( 3.538 0.000 6.039) 6.999 9.513 ( -6.576 0.000 -1.055) 6.660 9.677 ( 1.483 0.000 0.187) 1.495 9.757 ( 1.439 0.000 1.384) 1.997 9.885 ( -5.640 0.000 3.991) 6.909 9.942 ( -8.698 0.000 3.017) 9.206 9.981 ( -3.644 0.000 1.890) 4.105 10.046 ( -8.020 0.000 2.035) 8.274 10.130 ( -1.018 0.000 -4.581) 4.693 10.176 ( -2.276 0.000 -2.880) 3.671 10.217 ( 0.733 0.000 -4.357) 4.418 10.296 ( 2.548 0.000 7.768) 8.176 10.386 ( 3.055 0.000 -0.384) 3.079 10.483 ( 7.552 0.000 6.566) 10.007 10.527 ( -1.889 0.000 -2.395) 3.051 10.547 ( 1.539 0.000 2.439) 2.884 10.634 ( -5.158 0.000 14.822) 15.694 10.678 ( 0.625 0.000 -5.173) 5.210 10.787 ( 2.659 0.000 -9.621) 9.982 10.792 ( 2.083 0.000 -8.083) 8.347 10.905 ( 0.935 0.000 -2.046) 2.250 10.999 ( -5.423 0.000 -5.635) 7.820 11.095 ( 0.646 0.000 4.019) 4.070 11.139 ( -1.491 0.000 0.373) 1.537 11.172 ( -11.332 0.000 -1.093) 11.384 11.296 ( 3.768 0.000 -2.143) 4.335 11.349 ( -5.759 0.000 -9.686) 11.269 11.416 ( -0.034 0.000 2.566) 2.566 11.450 ( -3.452 0.000 -0.504) 3.489 11.540 ( 2.589 0.000 -1.602) 3.044 11.568 ( -1.203 0.000 -7.915) 8.006 11.720 ( 2.622 0.000 -6.841) 7.326 11.741 ( -3.467 0.000 -1.658) 3.843 11.781 ( 2.356 0.000 4.186) 4.803 11.832 ( 6.379 0.000 -5.447) 8.388 11.950 ( 6.964 0.000 0.264) 6.969 11.972 ( 6.742 0.000 -9.514) 11.661 12.048 ( -5.594 0.000 3.602) 6.653 12.158 ( -4.062 0.000 -0.513) 4.095 12.166 ( -3.078 0.000 -2.002) 3.672 12.207 ( 4.033 0.000 -7.635) 8.635 12.348 ( 2.180 0.000 -4.346) 4.862 12.407 ( -0.538 0.000 -1.792) 1.871 12.466 ( 3.018 0.000 -1.784) 3.505 12.479 ( -1.392 0.000 -2.496) 2.858 12.733 ( -1.624 0.000 -4.263) 4.562 12.787 ( 1.254 0.000 0.484) 1.344 12.872 ( 4.536 0.000 -0.653) 4.582 12.933 ( 2.104 0.000 -1.647) 2.672 12.977 ( 4.028 0.000 3.711) 5.477 13.123 ( -10.415 0.000 2.421) 10.692 13.143 ( 2.656 0.000 3.800) 4.636 13.247 ( 9.292 0.000 2.370) 9.590 13.399 ( 1.638 0.000 1.980) 2.570 13.424 ( 8.184 0.000 2.442) 8.541 13.472 ( 0.414 0.000 -0.519) 0.665 13.584 ( -0.156 0.000 1.658) 1.665 13.621 ( 5.161 0.000 2.234) 5.624 13.750 ( 4.658 0.000 2.411) 5.245 13.793 ( 8.201 0.000 -0.509) 8.217 13.850 ( 0.388 0.000 8.974) 8.982 13.867 ( -3.951 0.000 3.888) 5.543 13.994 ( -2.082 0.000 7.852) 8.123 14.039 ( -9.955 0.000 -2.416) 10.244 14.044 ( 9.518 0.000 3.434) 10.119 14.137 ( 12.258 0.000 7.247) 14.240 14.208 ( -9.667 0.000 -0.196) 9.669 14.250 ( 5.532 0.000 5.175) 7.575 14.431 ( 5.064 0.000 -5.645) 7.583 14.443 ( 4.365 0.000 18.813) 19.313 14.604 ( -1.157 0.000 -1.637) 2.004 14.787 ( 5.680 0.000 0.537) 5.706 14.890 ( 13.573 0.000 -5.161) 14.521 14.967 ( 2.803 0.000 -8.229) 8.693 15.069 ( 1.835 0.000 1.617) 2.446 15.196 ( -0.142 0.000 1.622) 1.629 15.217 ( -0.573 0.000 -5.425) 5.455 15.282 ( 1.560 0.000 4.927) 5.168 15.365 ( 4.372 0.000 -1.807) 4.731 15.435 ( 2.593 0.000 1.843) 3.181 15.493 ( 7.533 0.000 -1.113) 7.614 15.559 ( 3.130 0.000 -5.960) 6.732 15.722 ( 3.958 0.000 2.057) 4.461 15.740 ( 4.226 0.000 1.271) 4.413 15.824 ( -0.726 0.000 -3.691) 3.762 15.888 ( 2.605 0.000 2.213) 3.418 15.934 ( -1.851 0.000 -6.470) 6.730 16.041 ( 3.228 0.000 3.718) 4.924 16.142 ( 3.775 0.000 -3.804) 5.359 16.302 ( 0.433 0.000 3.585) 3.611 16.378 ( -3.675 0.000 5.836) 6.897 16.463 ( 2.872 0.000 3.332) 4.399 16.582 ( -9.030 0.000 3.312) 9.619 16.684 ( -6.306 0.000 12.615) 14.103 16.978 ( -7.582 0.000 -0.544) 7.601 16.991 ( -8.418 0.000 3.499) 9.116 17.301 ( 20.976 0.000 -31.937) 38.209 18.559 ( -10.877 0.000 -2.410) 11.141 18.820 ( -2.611 0.000 -6.800) 7.284 18.857 ( -3.961 0.000 -9.598) 10.383 19.033 ( -7.738 0.000 -4.980) 9.202 19.580 ( 0.205 0.000 -0.745) 0.773 19.649 ( -1.423 0.000 -0.613) 1.549 19.676 ( -6.740 0.000 -2.951) 7.358 19.904 ( -2.173 0.000 -11.484) 11.688 21.066 ( -11.337 0.000 6.689) 13.163 21.175 ( -15.484 0.000 6.151) 16.661 21.195 ( -8.351 0.000 1.775) 8.538 21.375 ( -11.094 0.000 -0.539) 11.107 21.457 ( -9.082 0.000 4.063) 9.950 21.612 ( -12.779 0.000 3.182) 13.169 21.814 ( -9.682 0.000 -1.189) 9.755 21.827 ( -10.650 0.000 -1.101) 10.707 25.075 ( 8.001 0.000 0.547) 8.020 25.084 ( 7.876 0.000 0.235) 7.880 25.211 ( 19.530 0.000 -2.582) 19.700 25.451 ( 26.742 0.000 -20.895) 33.937 26.172 ( 1.879 0.000 2.653) 3.251 26.281 ( 3.140 0.000 3.643) 4.810 26.287 ( -2.755 0.000 2.511) 3.727 26.319 ( 2.849 0.000 -0.154) 2.853 26.345 ( -0.701 0.000 4.334) 4.391 26.526 ( -7.431 0.000 9.529) 12.084 26.740 ( 0.556 0.000 -1.155) 1.282 26.787 ( 3.931 0.000 1.066) 4.073 26.799 ( 5.410 0.000 5.721) 7.874 26.840 ( -2.800 0.000 1.676) 3.263 26.999 ( 2.450 0.000 -1.281) 2.765 27.220 ( 1.430 0.000 -1.137) 1.827 27.261 ( -0.466 0.000 1.462) 1.535 27.353 ( -2.750 0.000 -0.136) 2.753 27.458 ( 5.269 0.000 0.328) 5.279 27.492 ( 10.551 0.000 -0.406) 10.559 27.530 ( 10.285 0.000 0.399) 10.293 28.077 ( -1.521 0.000 1.942) 2.467 28.133 ( 24.416 0.000 -28.735) 37.708 28.570 ( 16.275 0.000 -21.763) 27.176 29.070 ( -9.247 0.000 -8.903) 12.837 29.326 ( -13.982 0.000 -2.209) 14.156 29.475 ( -5.386 0.000 -1.853) 5.696 29.541 ( -5.963 0.000 -10.047) 11.683 29.756 ( -6.763 0.000 9.371) 11.556 29.962 ( -2.958 0.000 4.448) 5.342 30.018 ( -5.097 0.000 0.958) 5.186 30.081 ( -4.199 0.000 3.458) 5.440 30.104 ( -3.176 0.000 4.029) 5.130 30.299 ( -0.345 0.000 -1.906) 1.937 30.309 ( 0.271 0.000 0.889) 0.929 30.426 ( 0.951 0.000 7.445) 7.506 30.548 ( -3.903 0.000 4.892) 6.258 30.648 ( 1.738 0.000 0.700) 1.874 30.697 ( 3.729 0.000 0.607) 3.778 30.784 ( 6.002 0.000 -1.130) 6.108 30.844 ( 0.690 0.000 -3.991) 4.050 31.078 ( -2.024 0.000 -2.849) 3.495 31.216 ( -1.112 0.000 1.770) 2.090 31.323 ( -2.755 0.000 -1.280) 3.038 32.446 ( -42.449 0.000 36.426) 55.935 33.050 ( -21.243 0.000 -1.290) 21.282 33.202 ( -19.773 0.000 -7.440) 21.126 33.481 ( -10.041 0.000 -6.504) 11.963 ======================= Grid point 35 (15/48) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 26.153 0.000 29.052) 39.090 2.134 ( 33.715 0.000 34.853) 48.492 2.515 ( 47.553 0.000 14.755) 49.789 2.649 ( 4.581 0.000 -5.545) 7.193 2.678 ( 10.580 0.000 -4.249) 11.401 3.187 ( 18.221 0.000 21.403) 28.109 3.214 ( 24.040 0.000 17.402) 29.678 3.610 ( 9.457 0.000 3.781) 10.185 3.889 ( 15.782 0.000 3.438) 16.152 4.150 ( 15.877 0.000 -3.022) 16.162 4.303 ( -5.965 0.000 -7.195) 9.346 4.365 ( 12.226 0.000 -6.999) 14.088 4.651 ( 7.541 0.000 -1.198) 7.636 4.667 ( 4.914 0.000 -7.427) 8.905 4.706 ( 2.559 0.000 -1.356) 2.896 5.003 ( 17.653 0.000 -15.566) 23.535 5.023 ( 9.625 0.000 2.253) 9.885 5.075 ( 15.031 0.000 -7.421) 16.763 5.188 ( 9.505 0.000 11.145) 14.647 5.188 ( 4.979 0.000 8.025) 9.444 5.228 ( 22.247 0.000 10.197) 24.472 5.282 ( -4.645 0.000 -2.949) 5.502 5.377 ( 7.559 0.000 -16.129) 17.813 5.396 ( 4.056 0.000 -1.914) 4.485 5.520 ( 20.318 0.000 -6.152) 21.229 5.536 ( 32.403 0.000 0.921) 32.416 5.845 ( 24.164 0.000 4.714) 24.620 5.850 ( 18.709 0.000 -3.907) 19.113 5.878 ( 20.688 0.000 -2.630) 20.855 5.899 ( 3.717 0.000 -7.714) 8.563 5.973 ( 11.880 0.000 6.017) 13.317 6.100 ( 3.214 0.000 1.357) 3.489 6.154 ( -1.290 0.000 2.843) 3.122 6.252 ( 0.959 0.000 2.060) 2.272 6.267 ( 4.611 0.000 -3.924) 6.055 6.316 ( 2.117 0.000 2.438) 3.229 6.400 ( 0.411 0.000 4.697) 4.715 6.420 ( 7.870 0.000 -5.929) 9.853 6.481 ( 10.967 0.000 10.988) 15.525 6.496 ( -3.099 0.000 6.857) 7.524 6.601 ( 3.741 0.000 -1.880) 4.187 6.621 ( 4.665 0.000 5.887) 7.511 6.708 ( 10.040 0.000 4.552) 11.024 6.766 ( 7.962 0.000 -9.528) 12.417 6.845 ( 9.051 0.000 5.689) 10.690 6.865 ( 3.131 0.000 -8.873) 9.409 7.055 ( 2.824 0.000 9.032) 9.463 7.136 ( 2.543 0.000 5.533) 6.090 7.258 ( -3.094 0.000 4.298) 5.296 7.396 ( 4.196 0.000 -1.220) 4.369 7.482 ( 4.269 0.000 -1.777) 4.624 7.624 ( -5.953 0.000 5.748) 8.275 7.634 ( 13.116 0.000 -5.501) 14.223 7.708 ( -13.980 0.000 2.262) 14.162 7.871 ( 4.220 0.000 -0.500) 4.250 7.908 ( 1.847 0.000 -5.513) 5.815 7.922 ( -10.072 0.000 -8.599) 13.243 8.025 ( -13.056 0.000 2.623) 13.317 8.087 ( -8.182 0.000 -0.498) 8.197 8.095 ( -9.005 0.000 5.281) 10.439 8.205 ( -4.995 0.000 -3.266) 5.968 8.288 ( -3.901 0.000 -0.678) 3.959 8.352 ( -2.691 0.000 -1.212) 2.951 8.490 ( -10.665 0.000 0.386) 10.672 8.547 ( -1.944 0.000 -10.995) 11.165 8.608 ( 0.273 0.000 -3.393) 3.404 8.654 ( -3.351 0.000 -5.711) 6.622 8.659 ( 10.816 0.000 -7.902) 13.395 8.747 ( 3.731 0.000 -0.288) 3.742 8.780 ( 6.805 0.000 -2.280) 7.177 8.790 ( 1.068 0.000 -2.259) 2.498 8.889 ( -8.872 0.000 10.156) 13.485 9.003 ( -15.728 0.000 -2.220) 15.884 9.023 ( -1.412 0.000 7.132) 7.271 9.065 ( -4.404 0.000 5.194) 6.810 9.099 ( -1.432 0.000 2.212) 2.635 9.188 ( -0.133 0.000 0.257) 0.290 9.222 ( -11.196 0.000 9.419) 14.631 9.311 ( 10.146 0.000 4.400) 11.059 9.565 ( 6.197 0.000 -4.420) 7.612 9.567 ( 2.190 0.000 5.305) 5.739 9.732 ( -7.472 0.000 4.501) 8.723 9.745 ( 2.428 0.000 -1.405) 2.805 9.745 ( -2.680 0.000 -1.151) 2.916 9.762 ( -4.818 0.000 -2.193) 5.294 9.895 ( -5.309 0.000 -0.067) 5.309 9.980 ( 3.552 0.000 3.894) 5.271 10.133 ( 2.845 0.000 -10.055) 10.450 10.160 ( 1.236 0.000 -5.064) 5.213 10.259 ( 3.187 0.000 -5.153) 6.059 10.305 ( -2.624 0.000 2.628) 3.714 10.412 ( 0.451 0.000 -1.752) 1.809 10.473 ( -3.817 0.000 -2.330) 4.472 10.536 ( -1.348 0.000 3.087) 3.368 10.624 ( -2.279 0.000 -4.931) 5.432 10.671 ( 7.442 0.000 4.004) 8.451 10.732 ( -0.454 0.000 -3.589) 3.618 10.763 ( -8.209 0.000 -5.196) 9.716 10.775 ( -4.449 0.000 -6.174) 7.609 10.796 ( -0.568 0.000 -1.925) 2.007 10.807 ( -10.421 0.000 1.490) 10.527 11.023 ( -0.763 0.000 4.659) 4.721 11.088 ( 0.539 0.000 3.382) 3.425 11.174 ( 2.109 0.000 5.368) 5.767 11.298 ( -3.205 0.000 0.834) 3.312 11.318 ( -1.394 0.000 -4.038) 4.272 11.365 ( -6.215 0.000 -0.258) 6.220 11.413 ( -0.754 0.000 2.600) 2.707 11.487 ( -6.676 0.000 0.039) 6.676 11.504 ( -4.301 0.000 1.229) 4.474 11.735 ( 5.081 0.000 -2.940) 5.871 11.813 ( 3.900 0.000 -4.620) 6.046 11.872 ( 2.196 0.000 5.299) 5.736 11.915 ( 3.130 0.000 -6.883) 7.561 11.989 ( -0.206 0.000 -8.030) 8.033 12.051 ( -0.763 0.000 -1.696) 1.860 12.101 ( 8.126 0.000 1.844) 8.333 12.137 ( 1.691 0.000 -2.557) 3.066 12.180 ( 5.596 0.000 -1.840) 5.891 12.260 ( -5.042 0.000 5.016) 7.112 12.328 ( 2.065 0.000 -4.983) 5.394 12.397 ( 4.775 0.000 -2.969) 5.623 12.535 ( 4.308 0.000 -1.399) 4.529 12.566 ( 3.483 0.000 -4.503) 5.693 12.719 ( -2.973 0.000 -3.351) 4.479 12.785 ( 1.642 0.000 -6.517) 6.721 12.900 ( -8.640 0.000 4.169) 9.594 12.947 ( 4.884 0.000 -4.158) 6.414 12.953 ( -0.295 0.000 0.868) 0.917 12.988 ( -0.714 0.000 2.114) 2.231 13.225 ( -2.065 0.000 6.817) 7.123 13.334 ( -6.617 0.000 3.260) 7.377 13.485 ( 3.048 0.000 0.411) 3.076 13.485 ( 1.827 0.000 0.865) 2.021 13.573 ( 5.758 0.000 -2.341) 6.216 13.591 ( 2.557 0.000 2.181) 3.361 13.597 ( -3.583 0.000 2.352) 4.286 13.692 ( -3.049 0.000 8.281) 8.824 13.807 ( 4.143 0.000 10.116) 10.932 13.914 ( 5.421 0.000 -7.524) 9.274 13.952 ( -9.943 0.000 2.809) 10.332 13.999 ( 7.087 0.000 10.491) 12.660 14.060 ( 10.172 0.000 0.094) 10.173 14.117 ( 8.694 0.000 2.428) 9.027 14.239 ( 8.580 0.000 5.664) 10.281 14.255 ( 4.318 0.000 2.568) 5.024 14.472 ( 13.845 0.000 4.778) 14.646 14.499 ( 0.277 0.000 -3.078) 3.091 14.536 ( -0.981 0.000 0.037) 0.982 14.602 ( 7.017 0.000 5.022) 8.629 14.887 ( 4.875 0.000 0.344) 4.887 14.924 ( 0.503 0.000 -3.900) 3.932 15.102 ( 1.333 0.000 2.859) 3.154 15.202 ( -0.777 0.000 -6.472) 6.518 15.288 ( 7.427 0.000 0.559) 7.448 15.331 ( 20.162 0.000 -10.835) 22.889 15.356 ( 5.801 0.000 2.952) 6.509 15.470 ( 5.826 0.000 -0.704) 5.869 15.519 ( 5.694 0.000 -2.572) 6.248 15.655 ( 8.814 0.000 -4.883) 10.077 15.666 ( 4.801 0.000 -3.457) 5.916 15.771 ( 1.827 0.000 8.087) 8.291 15.810 ( 1.680 0.000 -6.981) 7.181 15.856 ( 5.033 0.000 -6.230) 8.009 15.889 ( -1.189 0.000 3.892) 4.070 15.914 ( -1.408 0.000 -7.112) 7.250 16.106 ( -8.866 0.000 -0.156) 8.868 16.185 ( 12.436 0.000 3.690) 12.972 16.301 ( -0.303 0.000 0.461) 0.551 16.312 ( -2.235 0.000 0.037) 2.235 16.367 ( -9.961 0.000 7.088) 12.226 16.485 ( -3.742 0.000 -0.023) 3.742 16.578 ( -4.950 0.000 13.319) 14.210 16.774 ( -12.481 0.000 2.345) 12.699 16.816 ( -5.612 0.000 7.531) 9.392 17.435 ( -1.542 0.000 -21.243) 21.299 18.339 ( -9.526 0.000 -1.836) 9.702 18.691 ( -11.732 0.000 -6.977) 13.650 18.773 ( -1.549 0.000 -3.560) 3.883 18.817 ( -13.640 0.000 -4.600) 14.395 19.568 ( -3.339 0.000 -0.620) 3.397 19.577 ( -0.227 0.000 -1.112) 1.135 19.642 ( 1.119 0.000 -1.063) 1.544 19.825 ( -4.268 0.000 -8.776) 9.759 20.749 ( -21.107 0.000 6.849) 22.190 20.795 ( -23.745 0.000 6.629) 24.653 20.946 ( -17.457 0.000 1.196) 17.498 21.051 ( -22.282 0.000 0.439) 22.287 21.203 ( -16.972 0.000 3.163) 17.264 21.284 ( -21.045 0.000 3.829) 21.390 21.519 ( -20.717 0.000 -0.695) 20.729 21.534 ( -19.116 0.000 -1.052) 19.145 25.280 ( 12.666 0.000 1.693) 12.779 25.284 ( 12.264 0.000 1.199) 12.323 25.635 ( 21.804 0.000 -6.310) 22.698 25.843 ( 15.329 0.000 -15.693) 21.938 26.227 ( 3.742 0.000 2.389) 4.439 26.243 ( -1.298 0.000 2.211) 2.563 26.313 ( -1.072 0.000 6.453) 6.541 26.385 ( 6.147 0.000 0.506) 6.168 26.386 ( 2.423 0.000 3.100) 3.935 26.458 ( 1.366 0.000 7.324) 7.450 26.732 ( -1.870 0.000 -1.837) 2.622 26.785 ( -3.778 0.000 -1.535) 4.078 26.896 ( 7.206 0.000 1.101) 7.290 26.934 ( 8.353 0.000 4.538) 9.506 27.079 ( -0.289 0.000 -4.371) 4.380 27.248 ( 5.620 0.000 3.015) 6.378 27.252 ( -4.011 0.000 -0.238) 4.018 27.298 ( 3.884 0.000 -0.528) 3.920 27.574 ( 4.359 0.000 1.607) 4.645 27.736 ( 10.413 0.000 -0.843) 10.447 27.794 ( 16.229 0.000 0.988) 16.259 28.060 ( 0.819 0.000 1.507) 1.715 28.278 ( 1.428 0.000 -6.358) 6.516 28.777 ( -9.410 0.000 -7.017) 11.738 28.938 ( 5.035 0.000 -33.509) 33.885 28.991 ( -19.319 0.000 -2.311) 19.457 29.306 ( -12.179 0.000 -2.677) 12.470 29.345 ( -13.775 0.000 -6.909) 15.411 29.600 ( -9.031 0.000 7.107) 11.492 29.808 ( -11.661 0.000 4.766) 12.597 29.867 ( -10.140 0.000 1.097) 10.199 29.970 ( -7.716 0.000 0.087) 7.716 30.082 ( 0.376 0.000 6.126) 6.138 30.293 ( -0.338 0.000 -1.081) 1.132 30.303 ( -1.168 0.000 0.041) 1.169 30.464 ( -4.603 0.000 4.596) 6.505 30.468 ( 3.610 0.000 5.187) 6.319 30.690 ( 2.386 0.000 0.422) 2.423 30.770 ( 3.775 0.000 0.975) 3.899 30.841 ( -0.369 0.000 -4.634) 4.649 30.914 ( 5.672 0.000 0.038) 5.673 31.058 ( 0.467 0.000 -2.230) 2.279 31.187 ( -1.807 0.000 1.594) 2.410 31.280 ( -0.003 0.000 -2.502) 2.502 31.817 ( -23.021 0.000 32.639) 39.941 32.576 ( -26.729 0.000 -2.327) 26.830 32.747 ( -25.538 0.000 -5.346) 26.091 33.196 ( -18.641 0.000 -7.355) 20.040 ======================= Grid point 36 (16/48) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 33.934 0.000 16.457) 37.714 2.777 ( 27.820 0.000 13.188) 30.788 2.803 ( 13.950 0.000 -2.705) 14.210 2.939 ( 15.883 0.000 -5.799) 16.909 3.265 ( 24.996 0.000 3.599) 25.254 3.649 ( 31.669 0.000 11.603) 33.727 3.707 ( 25.676 0.000 16.711) 30.635 3.781 ( 9.390 0.000 4.441) 10.387 4.207 ( -2.700 0.000 -8.080) 8.519 4.267 ( 22.583 0.000 8.290) 24.056 4.369 ( 3.331 0.000 -2.809) 4.357 4.494 ( -2.517 0.000 -8.890) 9.240 4.731 ( 3.263 0.000 4.916) 5.900 4.756 ( 3.806 0.000 -0.206) 3.812 4.870 ( 13.103 0.000 3.259) 13.503 4.922 ( -20.131 0.000 -4.338) 20.593 4.948 ( -5.428 0.000 -4.470) 7.032 5.183 ( -5.471 0.000 7.499) 9.283 5.239 ( 9.443 0.000 -10.366) 14.023 5.318 ( 4.133 0.000 -6.568) 7.760 5.387 ( 8.600 0.000 -9.511) 12.822 5.448 ( -1.146 0.000 2.461) 2.715 5.475 ( 11.726 0.000 -2.928) 12.086 5.649 ( 4.933 0.000 -1.730) 5.228 5.753 ( 4.364 0.000 -2.544) 5.051 5.756 ( 0.284 0.000 -0.370) 0.467 5.880 ( -7.913 0.000 9.064) 12.032 5.924 ( 5.561 0.000 -6.038) 8.208 6.071 ( -0.492 0.000 0.335) 0.595 6.088 ( 3.485 0.000 2.539) 4.312 6.249 ( -2.459 0.000 -3.806) 4.531 6.277 ( 0.617 0.000 -4.168) 4.213 6.327 ( 16.988 0.000 -8.081) 18.812 6.329 ( 7.248 0.000 3.677) 8.127 6.380 ( 0.741 0.000 -3.517) 3.594 6.446 ( 20.827 0.000 0.979) 20.850 6.559 ( 12.800 0.000 -1.755) 12.919 6.579 ( 12.543 0.000 6.237) 14.008 6.655 ( 10.536 0.000 6.410) 12.333 6.668 ( 9.422 0.000 -1.928) 9.617 6.767 ( 1.025 0.000 -8.030) 8.095 6.904 ( 2.926 0.000 7.176) 7.750 6.967 ( 5.469 0.000 -1.373) 5.638 7.020 ( 8.747 0.000 1.614) 8.895 7.079 ( 15.492 0.000 12.260) 19.756 7.082 ( 16.463 0.000 2.519) 16.654 7.170 ( 17.363 0.000 -5.198) 18.124 7.248 ( 26.112 0.000 2.111) 26.198 7.268 ( 6.179 0.000 9.654) 11.462 7.423 ( -13.051 0.000 2.635) 13.315 7.436 ( -3.956 0.000 -0.116) 3.957 7.472 ( 4.198 0.000 1.637) 4.506 7.646 ( 3.233 0.000 9.286) 9.833 7.723 ( -5.966 0.000 1.625) 6.183 7.743 ( 0.011 0.000 0.048) 0.049 7.825 ( -2.338 0.000 3.421) 4.144 7.848 ( 0.548 0.000 2.287) 2.352 7.857 ( -7.353 0.000 2.725) 7.842 7.966 ( -0.558 0.000 4.062) 4.100 7.970 ( -1.013 0.000 13.320) 13.358 8.146 ( -2.127 0.000 -5.307) 5.718 8.235 ( -3.563 0.000 -3.228) 4.808 8.369 ( 1.493 0.000 -3.641) 3.935 8.434 ( 2.127 0.000 -1.270) 2.477 8.437 ( -15.930 0.000 -2.638) 16.147 8.494 ( -7.770 0.000 -2.219) 8.081 8.564 ( 3.358 0.000 -11.754) 12.224 8.696 ( -2.767 0.000 -0.285) 2.782 8.709 ( 0.836 0.000 -7.038) 7.087 8.831 ( 3.310 0.000 1.198) 3.521 8.854 ( -1.319 0.000 -0.935) 1.617 8.866 ( -2.820 0.000 5.774) 6.426 8.916 ( -2.448 0.000 0.493) 2.497 8.922 ( 6.968 0.000 -2.201) 7.308 9.063 ( -6.933 0.000 4.085) 8.047 9.107 ( 4.539 0.000 1.816) 4.888 9.154 ( 7.245 0.000 -1.091) 7.327 9.218 ( 1.731 0.000 -3.739) 4.120 9.481 ( -9.806 0.000 4.246) 10.686 9.526 ( -0.820 0.000 0.388) 0.907 9.617 ( 3.855 0.000 2.306) 4.492 9.754 ( 3.048 0.000 -1.283) 3.307 9.825 ( 10.452 0.000 0.080) 10.453 9.827 ( 11.218 0.000 -4.135) 11.956 9.907 ( 10.798 0.000 -4.513) 11.703 9.933 ( 15.111 0.000 -3.140) 15.434 10.074 ( 7.992 0.000 -0.214) 7.995 10.148 ( -5.349 0.000 -1.570) 5.575 10.207 ( -2.434 0.000 -10.843) 11.113 10.236 ( -1.750 0.000 -3.405) 3.828 10.303 ( 2.321 0.000 -1.988) 3.055 10.379 ( -3.480 0.000 -1.778) 3.908 10.467 ( -12.149 0.000 -3.557) 12.659 10.481 ( -0.886 0.000 0.399) 0.972 10.482 ( 8.856 0.000 -1.955) 9.069 10.520 ( -5.782 0.000 -10.935) 12.369 10.669 ( -2.786 0.000 -6.955) 7.492 10.737 ( 2.148 0.000 -0.726) 2.267 10.743 ( 0.366 0.000 4.366) 4.382 10.768 ( 1.186 0.000 -2.595) 2.853 10.935 ( 10.014 0.000 4.373) 10.927 11.023 ( -2.242 0.000 5.995) 6.401 11.071 ( -8.290 0.000 5.167) 9.769 11.140 ( -12.104 0.000 0.545) 12.116 11.162 ( -4.409 0.000 4.254) 6.127 11.275 ( 7.041 0.000 2.995) 7.651 11.281 ( -7.202 0.000 3.335) 7.937 11.375 ( -6.353 0.000 2.079) 6.684 11.419 ( 0.365 0.000 -1.991) 2.024 11.432 ( 1.804 0.000 1.823) 2.565 11.788 ( -5.570 0.000 -3.425) 6.539 11.804 ( 0.623 0.000 -2.735) 2.805 11.868 ( -0.279 0.000 2.217) 2.235 11.978 ( -0.167 0.000 -10.347) 10.349 12.000 ( 2.939 0.000 -8.529) 9.022 12.048 ( -0.534 0.000 0.562) 0.775 12.097 ( -3.382 0.000 0.560) 3.428 12.210 ( -10.189 0.000 -2.998) 10.621 12.213 ( 3.376 0.000 0.702) 3.448 12.325 ( 9.188 0.000 -2.524) 9.528 12.339 ( 5.510 0.000 4.190) 6.922 12.480 ( -8.276 0.000 0.252) 8.280 12.489 ( -4.244 0.000 3.461) 5.476 12.612 ( 2.480 0.000 -2.890) 3.808 12.648 ( 6.451 0.000 1.903) 6.726 12.773 ( -15.750 0.000 1.032) 15.784 12.847 ( -0.623 0.000 -1.358) 1.494 12.942 ( -2.895 0.000 -5.260) 6.004 12.968 ( -0.235 0.000 -3.789) 3.797 12.979 ( -0.948 0.000 1.248) 1.567 13.171 ( -5.702 0.000 8.050) 9.865 13.224 ( 13.250 0.000 -8.225) 15.596 13.382 ( -2.364 0.000 6.580) 6.992 13.501 ( -3.266 0.000 1.860) 3.759 13.614 ( -2.909 0.000 0.958) 3.063 13.669 ( -2.406 0.000 7.303) 7.689 13.670 ( -1.034 0.000 2.031) 2.279 13.685 ( 5.260 0.000 -2.845) 5.980 13.728 ( 2.376 0.000 -4.688) 5.256 13.974 ( 1.926 0.000 -10.331) 10.509 14.043 ( 9.998 0.000 10.074) 14.193 14.151 ( 7.035 0.000 3.200) 7.728 14.246 ( 8.808 0.000 2.923) 9.280 14.298 ( 7.763 0.000 1.132) 7.845 14.327 ( 5.482 0.000 5.990) 8.120 14.443 ( 9.475 0.000 1.186) 9.549 14.518 ( 4.540 0.000 2.819) 5.344 14.583 ( 3.995 0.000 -2.530) 4.728 14.608 ( 4.835 0.000 9.698) 10.836 14.776 ( 7.325 0.000 1.582) 7.494 14.952 ( 1.921 0.000 -2.114) 2.856 14.988 ( 6.111 0.000 -0.188) 6.114 15.118 ( 0.196 0.000 2.740) 2.747 15.182 ( -1.275 0.000 -3.428) 3.657 15.410 ( 1.451 0.000 3.613) 3.894 15.483 ( 6.597 0.000 0.163) 6.599 15.520 ( -0.037 0.000 -4.721) 4.722 15.575 ( 4.953 0.000 -0.999) 5.052 15.657 ( -1.271 0.000 -1.085) 1.671 15.725 ( 6.372 0.000 -4.838) 8.000 15.757 ( -0.963 0.000 4.376) 4.481 15.774 ( -6.702 0.000 -6.843) 9.578 15.781 ( -2.961 0.000 4.403) 5.306 15.826 ( 6.084 0.000 -2.403) 6.541 15.896 ( -3.606 0.000 -5.581) 6.645 15.957 ( 0.404 0.000 -0.942) 1.025 15.998 ( 5.107 0.000 -8.427) 9.854 16.191 ( -13.436 0.000 4.314) 14.112 16.248 ( -0.124 0.000 7.957) 7.958 16.319 ( -1.080 0.000 -2.493) 2.717 16.352 ( 1.371 0.000 1.885) 2.331 16.419 ( -10.029 0.000 10.212) 14.313 16.467 ( 11.727 0.000 -8.639) 14.565 16.580 ( -7.491 0.000 5.286) 9.168 16.888 ( 9.820 0.000 4.878) 10.964 17.356 ( -5.387 0.000 -14.160) 15.150 18.278 ( 4.860 0.000 1.632) 5.127 18.497 ( -5.907 0.000 -1.569) 6.111 18.583 ( -7.372 0.000 -1.621) 7.548 18.796 ( 4.941 0.000 -3.216) 5.896 19.563 ( 2.919 0.000 -0.123) 2.922 19.600 ( 3.354 0.000 -0.786) 3.445 19.697 ( 4.962 0.000 -2.025) 5.359 19.781 ( 0.226 0.000 -5.556) 5.561 20.269 ( -30.532 0.000 6.212) 31.157 20.271 ( -28.012 0.000 6.383) 28.730 20.526 ( -25.783 0.000 0.221) 25.784 20.532 ( -30.969 0.000 1.243) 30.994 20.818 ( -22.273 0.000 2.108) 22.373 20.827 ( -25.328 0.000 3.967) 25.637 21.055 ( -26.507 0.000 -0.959) 26.524 21.097 ( -25.378 0.000 -1.053) 25.400 25.534 ( 13.206 0.000 1.979) 13.354 25.539 ( 13.575 0.000 2.467) 13.798 25.989 ( 14.046 0.000 -7.500) 15.923 26.067 ( 7.657 0.000 -8.812) 11.674 26.238 ( 0.864 0.000 1.718) 1.923 26.267 ( -1.214 0.000 5.507) 5.639 26.334 ( 5.114 0.000 0.843) 5.183 26.390 ( -0.110 0.000 5.000) 5.001 26.537 ( 9.370 0.000 0.529) 9.384 26.574 ( 7.231 0.000 0.040) 7.231 26.671 ( -4.022 0.000 -1.696) 4.365 26.708 ( -2.371 0.000 -1.518) 2.815 26.949 ( -9.120 0.000 -0.889) 9.163 27.015 ( 0.370 0.000 -2.881) 2.904 27.136 ( 11.751 0.000 3.069) 12.145 27.173 ( 2.029 0.000 5.011) 5.407 27.444 ( 7.600 0.000 -2.231) 7.921 27.497 ( 16.608 0.000 -0.981) 16.637 27.558 ( -4.137 0.000 2.407) 4.786 27.783 ( -5.873 0.000 -1.540) 6.071 28.083 ( 3.980 0.000 1.297) 4.186 28.130 ( 10.723 0.000 1.837) 10.879 28.227 ( -10.614 0.000 0.556) 10.628 28.630 ( 2.292 0.000 -7.168) 7.525 28.675 ( -9.291 0.000 -1.205) 9.369 28.975 ( -10.098 0.000 -8.385) 13.125 29.054 ( -5.636 0.000 -15.395) 16.395 29.057 ( -14.108 0.000 -5.066) 14.990 29.417 ( -9.776 0.000 4.574) 10.793 29.564 ( -12.814 0.000 5.225) 13.838 29.638 ( -13.489 0.000 0.020) 13.489 29.769 ( -13.097 0.000 -1.264) 13.158 30.098 ( 1.180 0.000 5.090) 5.225 30.266 ( -2.447 0.000 0.051) 2.447 30.287 ( -0.187 0.000 -0.010) 0.187 30.388 ( -2.994 0.000 4.031) 5.021 30.562 ( 5.842 0.000 3.137) 6.631 30.734 ( 2.042 0.000 1.430) 2.492 30.826 ( -0.870 0.000 -4.322) 4.409 30.847 ( 4.359 0.000 3.341) 5.492 30.953 ( -2.074 0.000 1.117) 2.356 31.118 ( 6.446 0.000 -2.674) 6.979 31.154 ( -1.318 0.000 2.332) 2.679 31.382 ( 10.355 0.000 -4.226) 11.184 31.492 ( -12.180 0.000 19.058) 22.617 32.071 ( -24.682 0.000 -2.090) 24.771 32.269 ( -23.262 0.000 -4.502) 23.693 32.798 ( -21.888 0.000 -7.431) 23.115 ======================= Grid point 37 (17/48) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 36.124 0.000 8.153) 37.033 3.004 ( 10.494 0.000 -2.521) 10.793 3.206 ( 8.991 0.000 4.306) 9.969 3.287 ( 20.249 0.000 -3.654) 20.576 3.631 ( 16.311 0.000 1.664) 16.396 3.968 ( -28.746 0.000 -1.300) 28.776 4.014 ( 21.549 0.000 4.177) 21.950 4.042 ( -7.940 0.000 6.201) 10.075 4.209 ( 8.112 0.000 1.360) 8.225 4.234 ( 13.941 0.000 -3.800) 14.449 4.577 ( 4.178 0.000 -5.206) 6.675 4.666 ( 10.694 0.000 -6.236) 12.379 4.714 ( 12.551 0.000 4.776) 13.429 4.780 ( 0.087 0.000 6.041) 6.041 4.854 ( 1.389 0.000 2.097) 2.515 4.855 ( 9.651 0.000 1.913) 9.839 5.052 ( -2.391 0.000 2.948) 3.796 5.188 ( 3.150 0.000 -0.545) 3.197 5.194 ( -14.794 0.000 -6.148) 16.020 5.347 ( -14.405 0.000 1.694) 14.504 5.410 ( 6.474 0.000 -7.077) 9.591 5.416 ( 4.653 0.000 -3.735) 5.966 5.595 ( -1.781 0.000 -6.124) 6.378 5.645 ( 12.142 0.000 -0.086) 12.143 5.781 ( -2.491 0.000 3.225) 4.075 5.829 ( -0.162 0.000 6.759) 6.761 5.925 ( -18.691 0.000 -6.729) 19.865 5.946 ( 8.693 0.000 11.164) 14.150 6.034 ( 5.238 0.000 2.286) 5.715 6.052 ( 1.596 0.000 -5.133) 5.375 6.271 ( -4.028 0.000 -2.088) 4.537 6.295 ( 4.349 0.000 -9.297) 10.264 6.388 ( 8.184 0.000 -2.150) 8.462 6.490 ( 10.840 0.000 5.879) 12.331 6.495 ( 0.579 0.000 -4.652) 4.688 6.595 ( -4.043 0.000 0.221) 4.049 6.625 ( 0.932 0.000 -0.753) 1.198 6.717 ( -4.614 0.000 -0.330) 4.626 6.738 ( -1.194 0.000 7.165) 7.264 6.819 ( -4.360 0.000 6.289) 7.652 6.878 ( 8.430 0.000 -3.874) 9.278 6.913 ( 9.405 0.000 -0.881) 9.446 7.002 ( 0.145 0.000 2.378) 2.382 7.012 ( -1.454 0.000 4.151) 4.398 7.094 ( 0.285 0.000 -1.677) 1.701 7.251 ( -0.707 0.000 8.231) 8.261 7.302 ( -6.586 0.000 -2.285) 6.972 7.307 ( -0.599 0.000 8.262) 8.284 7.361 ( 3.833 0.000 -10.447) 11.128 7.441 ( 0.507 0.000 -10.664) 10.676 7.510 ( 3.145 0.000 10.102) 10.580 7.593 ( -1.212 0.000 0.446) 1.292 7.677 ( -5.112 0.000 1.958) 5.474 7.679 ( 3.199 0.000 3.117) 4.466 7.725 ( -0.236 0.000 4.916) 4.922 7.752 ( -0.289 0.000 0.288) 0.408 7.947 ( -2.813 0.000 -1.807) 3.344 8.027 ( 7.695 0.000 6.509) 10.079 8.066 ( 11.623 0.000 0.480) 11.633 8.177 ( 6.304 0.000 6.917) 9.358 8.213 ( -1.508 0.000 7.614) 7.762 8.265 ( 12.688 0.000 6.031) 14.049 8.343 ( -1.301 0.000 -0.593) 1.430 8.389 ( 27.922 0.000 3.946) 28.199 8.421 ( 1.464 0.000 -5.703) 5.887 8.572 ( 0.184 0.000 6.288) 6.291 8.605 ( 6.665 0.000 0.033) 6.665 8.620 ( 5.256 0.000 -2.954) 6.029 8.749 ( 3.626 0.000 -7.955) 8.742 8.814 ( -0.475 0.000 -5.957) 5.976 8.842 ( -0.939 0.000 -0.877) 1.285 8.878 ( -1.162 0.000 -2.839) 3.068 8.887 ( -5.582 0.000 -0.743) 5.631 9.007 ( 12.738 0.000 -4.464) 13.497 9.081 ( -6.513 0.000 -7.008) 9.567 9.115 ( 12.277 0.000 0.703) 12.297 9.297 ( 5.567 0.000 0.768) 5.619 9.361 ( 0.494 0.000 2.554) 2.601 9.408 ( 9.011 0.000 6.097) 10.880 9.501 ( -5.588 0.000 2.216) 6.012 9.571 ( -9.482 0.000 -2.561) 9.821 9.821 ( -0.658 0.000 3.153) 3.221 9.879 ( -5.960 0.000 0.117) 5.961 9.900 ( -0.760 0.000 -5.783) 5.832 9.947 ( 4.998 0.000 3.957) 6.375 10.040 ( 2.903 0.000 -4.489) 5.346 10.073 ( -5.874 0.000 -6.891) 9.055 10.147 ( 1.357 0.000 -5.627) 5.789 10.174 ( -15.090 0.000 -3.880) 15.581 10.286 ( 3.005 0.000 1.898) 3.554 10.378 ( 13.345 0.000 3.360) 13.761 10.396 ( 2.070 0.000 -0.857) 2.240 10.484 ( -0.734 0.000 -0.780) 1.071 10.497 ( 10.597 0.000 -4.812) 11.638 10.573 ( 8.957 0.000 -6.670) 11.168 10.631 ( 8.448 0.000 -1.598) 8.598 10.708 ( -9.586 0.000 -2.597) 9.932 10.776 ( 4.981 0.000 -4.668) 6.826 10.820 ( 3.054 0.000 -0.594) 3.112 10.822 ( 11.400 0.000 -3.168) 11.832 10.912 ( -9.328 0.000 -3.075) 9.822 10.919 ( -2.959 0.000 1.278) 3.224 10.982 ( 1.706 0.000 3.009) 3.459 10.983 ( -5.173 0.000 9.485) 10.804 11.128 ( -11.094 0.000 4.165) 11.850 11.213 ( 9.331 0.000 5.667) 10.918 11.221 ( 6.968 0.000 1.842) 7.207 11.404 ( 6.049 0.000 -5.622) 8.258 11.526 ( 8.478 0.000 -3.612) 9.215 11.561 ( -0.351 0.000 -4.739) 4.752 11.659 ( -1.257 0.000 -1.425) 1.901 11.739 ( -6.608 0.000 3.436) 7.448 11.883 ( 0.598 0.000 -3.756) 3.803 11.936 ( -13.098 0.000 -2.034) 13.255 11.958 ( -7.405 0.000 -4.316) 8.571 11.960 ( -8.047 0.000 -6.704) 10.473 12.037 ( -2.744 0.000 -0.673) 2.825 12.046 ( 0.703 0.000 -2.158) 2.270 12.178 ( -10.596 0.000 0.805) 10.626 12.242 ( -4.499 0.000 0.739) 4.560 12.259 ( -10.593 0.000 -3.680) 11.214 12.376 ( -13.998 0.000 5.023) 14.872 12.494 ( 7.371 0.000 -2.797) 7.884 12.688 ( 1.499 0.000 1.672) 2.246 12.689 ( 15.109 0.000 4.274) 15.702 12.775 ( 6.790 0.000 2.661) 7.292 12.820 ( -1.946 0.000 -0.634) 2.046 12.851 ( -5.719 0.000 1.606) 5.940 12.929 ( -3.510 0.000 -1.483) 3.811 12.960 ( 1.616 0.000 -0.846) 1.823 13.133 ( -4.921 0.000 2.503) 5.521 13.364 ( -10.425 0.000 -0.208) 10.427 13.429 ( 1.442 0.000 -0.407) 1.498 13.500 ( 14.716 0.000 1.905) 14.839 13.516 ( 1.646 0.000 0.194) 1.657 13.656 ( 0.447 0.000 -1.505) 1.570 13.725 ( -0.963 0.000 -0.942) 1.347 13.758 ( 7.800 0.000 0.785) 7.840 13.801 ( 4.878 0.000 -7.601) 9.031 13.996 ( -1.791 0.000 -10.495) 10.647 14.162 ( 2.733 0.000 8.344) 8.781 14.262 ( 6.434 0.000 -0.873) 6.493 14.358 ( -2.360 0.000 1.864) 3.007 14.386 ( 4.886 0.000 4.934) 6.944 14.449 ( 5.981 0.000 4.586) 7.536 14.571 ( 2.719 0.000 0.159) 2.723 14.646 ( 7.654 0.000 3.026) 8.230 14.696 ( 6.639 0.000 0.277) 6.645 14.729 ( 7.588 0.000 8.304) 11.248 14.855 ( 1.517 0.000 4.958) 5.185 14.966 ( -1.061 0.000 -0.605) 1.222 15.076 ( -4.911 0.000 -0.526) 4.939 15.131 ( 8.223 0.000 -0.370) 8.231 15.193 ( 3.293 0.000 0.795) 3.388 15.371 ( -3.414 0.000 0.923) 3.536 15.433 ( -7.956 0.000 -2.904) 8.469 15.518 ( -10.077 0.000 3.369) 10.625 15.534 ( -5.249 0.000 2.268) 5.718 15.557 ( -5.712 0.000 2.766) 6.346 15.606 ( -7.986 0.000 -1.250) 8.083 15.611 ( 2.840 0.000 -0.154) 2.844 15.821 ( -2.486 0.000 -2.324) 3.403 15.831 ( 1.598 0.000 0.210) 1.611 15.894 ( -1.308 0.000 -0.786) 1.526 15.936 ( -3.829 0.000 0.588) 3.874 15.982 ( 10.062 0.000 -0.794) 10.093 15.991 ( -7.688 0.000 -1.060) 7.761 16.076 ( 9.701 0.000 -0.441) 9.711 16.236 ( -1.866 0.000 0.723) 2.001 16.265 ( -1.234 0.000 -0.188) 1.248 16.333 ( -2.830 0.000 7.468) 7.987 16.434 ( -7.144 0.000 3.171) 7.817 16.526 ( 14.177 0.000 -2.480) 14.393 16.701 ( 13.042 0.000 -8.852) 15.762 17.000 ( -1.269 0.000 -1.815) 2.214 17.225 ( -9.059 0.000 -10.335) 13.743 18.531 ( 11.885 0.000 4.143) 12.586 18.541 ( 21.701 0.000 3.647) 22.005 18.685 ( 18.525 0.000 1.212) 18.565 18.995 ( 16.202 0.000 -2.935) 16.466 19.607 ( -30.534 0.000 4.378) 30.846 19.671 ( -25.673 0.000 3.464) 25.905 19.695 ( 7.040 0.000 0.923) 7.100 19.733 ( 4.540 0.000 0.891) 4.626 19.860 ( 10.615 0.000 -1.618) 10.738 19.864 ( -5.356 0.000 -2.020) 5.724 19.892 ( -23.320 0.000 1.288) 23.355 19.977 ( -30.048 0.000 -0.912) 30.062 20.350 ( -23.152 0.000 3.152) 23.366 20.378 ( -22.450 0.000 1.053) 22.475 20.541 ( -25.582 0.000 -1.305) 25.615 20.598 ( -25.246 0.000 -1.238) 25.276 25.778 ( 11.798 0.000 2.229) 12.007 25.788 ( 11.993 0.000 2.574) 12.266 26.103 ( -3.453 0.000 -0.043) 3.454 26.113 ( -2.354 0.000 -0.637) 2.438 26.294 ( 5.627 0.000 -1.710) 5.882 26.305 ( 5.621 0.000 -1.890) 5.931 26.399 ( 0.810 0.000 -0.024) 0.811 26.433 ( 3.124 0.000 -1.225) 3.356 26.584 ( -2.384 0.000 -1.283) 2.707 26.610 ( -0.284 0.000 -1.028) 1.066 26.738 ( 10.052 0.000 -1.100) 10.112 26.740 ( -7.381 0.000 -1.137) 7.469 26.874 ( 11.973 0.000 1.258) 12.039 26.903 ( -6.570 0.000 0.389) 6.582 27.312 ( -13.271 0.000 0.856) 13.298 27.354 ( 12.359 0.000 2.904) 12.695 27.383 ( 13.220 0.000 0.968) 13.256 27.543 ( -16.458 0.000 -1.164) 16.499 27.714 ( 13.067 0.000 -0.921) 13.100 27.837 ( 13.859 0.000 -3.479) 14.289 27.928 ( -13.395 0.000 1.745) 13.508 27.968 ( -9.572 0.000 1.586) 9.703 28.253 ( -4.765 0.000 1.839) 5.107 28.634 ( -19.787 0.000 -2.817) 19.986 28.732 ( 12.437 0.000 -0.388) 12.443 28.793 ( 11.027 0.000 -3.305) 11.512 28.936 ( 4.662 0.000 -3.514) 5.838 29.062 ( 2.054 0.000 -9.654) 9.870 29.228 ( -9.655 0.000 1.988) 9.858 29.334 ( -10.702 0.000 2.551) 11.001 29.353 ( -15.870 0.000 -0.371) 15.875 29.480 ( -16.258 0.000 -1.539) 16.331 30.127 ( 1.777 0.000 3.740) 4.140 30.215 ( -2.661 0.000 1.008) 2.845 30.291 ( 0.732 0.000 1.142) 1.356 30.345 ( -1.802 0.000 2.894) 3.409 30.675 ( 5.353 0.000 1.776) 5.640 30.763 ( 0.714 0.000 2.509) 2.609 30.817 ( 0.118 0.000 -3.242) 3.244 30.890 ( -3.458 0.000 0.047) 3.458 30.942 ( 5.677 0.000 5.511) 7.912 31.141 ( -0.766 0.000 7.037) 7.079 31.289 ( 10.956 0.000 -3.248) 11.427 31.322 ( -4.797 0.000 6.267) 7.892 31.640 ( 15.619 0.000 -5.130) 16.440 31.650 ( -18.553 0.000 -1.774) 18.637 31.864 ( -18.600 0.000 -4.016) 19.028 32.376 ( -21.424 0.000 -6.815) 22.482 ======================= Grid point 38 (18/48) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( -7.432 0.000 1.911) 7.674 3.185 ( 7.432 0.000 1.911) 7.674 3.315 ( -35.898 0.000 2.217) 35.966 3.315 ( 35.898 0.000 2.217) 35.966 3.704 ( -21.886 0.000 -1.375) 21.929 3.704 ( 21.886 0.000 -1.375) 21.929 3.959 ( -18.188 0.000 -6.191) 19.213 3.959 ( 18.188 0.000 -6.191) 19.213 4.536 ( -24.937 0.000 6.251) 25.709 4.536 ( 24.937 0.000 6.251) 25.709 4.558 ( -15.284 0.000 -1.131) 15.326 4.558 ( 15.284 0.000 -1.131) 15.326 4.891 ( -3.785 0.000 3.172) 4.938 4.891 ( 3.785 0.000 3.172) 4.938 4.919 ( -9.208 0.000 -3.023) 9.691 4.919 ( 9.208 0.000 -3.023) 9.691 5.096 ( -8.789 0.000 3.069) 9.309 5.096 ( 8.789 0.000 3.069) 9.309 5.114 ( -8.207 0.000 0.790) 8.245 5.114 ( 8.207 0.000 0.790) 8.245 5.553 ( -13.652 0.000 -9.409) 16.581 5.553 ( 13.652 0.000 -9.410) 16.581 5.566 ( -6.086 0.000 -1.836) 6.357 5.566 ( 6.086 0.000 -1.836) 6.357 5.725 ( -0.779 0.000 -1.590) 1.771 5.725 ( 0.779 0.000 -1.590) 1.771 5.922 ( -12.782 0.000 0.575) 12.795 5.922 ( 12.782 0.000 0.575) 12.795 6.119 ( -10.007 0.000 13.117) 16.498 6.119 ( 10.008 0.000 13.117) 16.498 6.287 ( -11.964 0.000 -4.694) 12.852 6.287 ( 11.964 0.000 -4.694) 12.852 6.462 ( -4.393 0.000 -1.639) 4.688 6.462 ( 4.393 0.000 -1.639) 4.688 6.546 ( -5.958 0.000 -1.663) 6.186 6.546 ( 5.958 0.000 -1.663) 6.186 6.690 ( -4.522 0.000 9.716) 10.717 6.690 ( 4.522 0.000 9.716) 10.717 6.778 ( -11.457 0.000 4.734) 12.397 6.778 ( 11.458 0.000 4.734) 12.397 6.934 ( -3.628 0.000 -6.258) 7.234 6.934 ( 3.628 0.000 -6.258) 7.234 6.955 ( -3.420 0.000 -2.345) 4.147 6.955 ( 3.420 0.000 -2.345) 4.147 7.171 ( -5.159 0.000 -4.105) 6.593 7.171 ( 5.159 0.000 -4.105) 6.593 7.325 ( -6.185 0.000 2.369) 6.623 7.325 ( 6.185 0.000 2.369) 6.623 7.420 ( -11.079 0.000 10.411) 15.203 7.420 ( 11.079 0.000 10.411) 15.203 7.517 ( -7.056 0.000 -11.929) 13.860 7.517 ( 7.056 0.000 -11.929) 13.860 7.652 ( -2.839 0.000 1.728) 3.324 7.652 ( 2.839 0.000 1.728) 3.324 7.735 ( -3.410 0.000 1.260) 3.635 7.735 ( 3.410 0.000 1.260) 3.635 7.994 ( -4.397 0.000 3.047) 5.350 7.994 ( 4.397 0.000 3.047) 5.350 8.226 ( -8.166 0.000 1.403) 8.286 8.226 ( 8.166 0.000 1.403) 8.286 8.273 ( -3.490 0.000 2.677) 4.398 8.273 ( 3.490 0.000 2.677) 4.398 8.384 ( -9.754 0.000 10.972) 14.681 8.384 ( 9.754 0.000 10.972) 14.681 8.585 ( -2.224 0.000 -2.611) 3.430 8.585 ( 2.224 0.000 -2.611) 3.430 8.749 ( -5.993 0.000 2.343) 6.435 8.749 ( 5.993 0.000 2.343) 6.435 8.805 ( -4.009 0.000 -0.171) 4.013 8.805 ( 4.009 0.000 -0.171) 4.013 8.885 ( -4.132 0.000 -11.329) 12.059 8.885 ( 4.132 0.000 -11.329) 12.059 9.077 ( -20.839 0.000 -1.401) 20.886 9.077 ( 20.839 0.000 -1.401) 20.886 9.188 ( -21.842 0.000 -3.197) 22.075 9.188 ( 21.842 0.000 -3.197) 22.075 9.205 ( -5.756 0.000 0.180) 5.759 9.205 ( 5.756 0.000 0.180) 5.759 9.557 ( -20.815 0.000 -2.078) 20.918 9.557 ( 20.815 0.000 -2.078) 20.918 9.644 ( -21.939 0.000 -1.340) 21.980 9.644 ( 21.939 0.000 -1.340) 21.980 9.706 ( -8.648 0.000 8.389) 12.048 9.706 ( 8.648 0.000 8.389) 12.048 10.031 ( -3.428 0.000 1.100) 3.600 10.031 ( 3.428 0.000 1.100) 3.600 10.130 ( -4.729 0.000 -2.843) 5.517 10.130 ( 4.729 0.000 -2.843) 5.517 10.279 ( -20.097 0.000 0.072) 20.097 10.279 ( 20.097 0.000 0.072) 20.097 10.348 ( -5.198 0.000 -0.636) 5.237 10.348 ( 5.198 0.000 -0.636) 5.237 10.582 ( -13.841 0.000 -0.687) 13.858 10.582 ( 13.841 0.000 -0.687) 13.858 10.619 ( -7.362 0.000 0.459) 7.376 10.619 ( 7.362 0.000 0.459) 7.376 10.739 ( -8.283 0.000 -1.856) 8.489 10.739 ( 8.283 0.000 -1.856) 8.489 10.775 ( -4.065 0.000 -0.865) 4.156 10.775 ( 4.065 0.000 -0.865) 4.156 10.970 ( -5.178 0.000 0.078) 5.179 10.970 ( 5.178 0.000 0.078) 5.179 11.031 ( -7.649 0.000 -4.689) 8.972 11.031 ( 7.649 0.000 -4.689) 8.972 11.232 ( -22.954 0.000 -4.582) 23.407 11.232 ( 22.954 0.000 -4.582) 23.407 11.377 ( -9.238 0.000 4.696) 10.362 11.377 ( 9.238 0.000 4.696) 10.362 11.560 ( -20.021 0.000 -1.594) 20.085 11.560 ( 20.021 0.000 -1.594) 20.085 11.702 ( -14.422 0.000 -3.377) 14.812 11.702 ( 14.422 0.000 -3.377) 14.812 11.811 ( -12.858 0.000 -5.325) 13.917 11.811 ( 12.858 0.000 -5.325) 13.917 11.827 ( -8.698 0.000 -0.469) 8.711 11.827 ( 8.698 0.000 -0.469) 8.711 11.997 ( -1.872 0.000 -1.260) 2.257 11.997 ( 1.872 0.000 -1.260) 2.257 12.108 ( -5.436 0.000 -4.507) 7.062 12.108 ( 5.436 0.000 -4.507) 7.062 12.250 ( -3.605 0.000 3.778) 5.222 12.250 ( 3.605 0.000 3.778) 5.222 12.622 ( -6.401 0.000 0.402) 6.414 12.622 ( 6.401 0.000 0.402) 6.414 12.783 ( -1.744 0.000 -0.144) 1.750 12.783 ( 1.744 0.000 -0.144) 1.750 12.861 ( -3.404 0.000 -3.111) 4.611 12.861 ( 3.404 0.000 -3.111) 4.611 12.981 ( -9.711 0.000 3.583) 10.351 12.981 ( 9.711 0.000 3.583) 10.351 13.114 ( -13.586 0.000 5.397) 14.619 13.114 ( 13.586 0.000 5.397) 14.619 13.484 ( -3.741 0.000 -0.216) 3.747 13.484 ( 3.741 0.000 -0.216) 3.747 13.667 ( -2.420 0.000 -3.684) 4.408 13.667 ( 2.420 0.000 -3.684) 4.408 13.840 ( -13.428 0.000 -2.896) 13.737 13.840 ( 13.428 0.000 -2.896) 13.737 13.873 ( -0.939 0.000 -5.790) 5.865 13.873 ( 0.939 0.000 -5.790) 5.865 14.239 ( -7.225 0.000 5.449) 9.049 14.239 ( 7.225 0.000 5.449) 9.049 14.401 ( -4.642 0.000 5.512) 7.206 14.401 ( 4.642 0.000 5.512) 7.206 14.539 ( -4.334 0.000 -3.182) 5.377 14.539 ( 4.334 0.000 -3.182) 5.377 14.758 ( -2.222 0.000 3.249) 3.936 14.758 ( 2.222 0.000 3.249) 3.936 14.843 ( -3.021 0.000 6.090) 6.798 14.843 ( 3.021 0.000 6.090) 6.798 14.970 ( -3.998 0.000 -0.690) 4.057 14.970 ( 3.998 0.000 -0.690) 4.057 15.279 ( -7.498 0.000 0.647) 7.526 15.279 ( 7.498 0.000 0.647) 7.526 15.290 ( -6.300 0.000 -0.727) 6.342 15.290 ( 6.300 0.000 -0.727) 6.342 15.421 ( -5.084 0.000 5.898) 7.787 15.421 ( 5.084 0.000 5.898) 7.787 15.515 ( -1.159 0.000 1.366) 1.791 15.515 ( 1.159 0.000 1.366) 1.792 15.725 ( -7.992 0.000 -0.474) 8.006 15.725 ( 7.992 0.000 -0.474) 8.006 15.834 ( -3.414 0.000 -1.188) 3.614 15.834 ( 3.414 0.000 -1.188) 3.614 15.924 ( -1.584 0.000 -1.410) 2.120 15.924 ( 1.584 0.000 -1.410) 2.120 16.146 ( -7.206 0.000 -1.238) 7.312 16.146 ( 7.206 0.000 -1.238) 7.312 16.236 ( -5.156 0.000 5.060) 7.224 16.236 ( 5.156 0.000 5.060) 7.224 16.319 ( -4.733 0.000 0.703) 4.785 16.319 ( 4.733 0.000 0.703) 4.785 16.801 ( -11.594 0.000 -4.794) 12.546 16.801 ( 11.594 0.000 -4.794) 12.546 17.006 ( -11.944 0.000 -7.387) 14.044 17.006 ( 11.944 0.000 -7.387) 14.044 18.964 ( -30.591 0.000 5.590) 31.098 18.964 ( 30.591 0.000 5.590) 31.098 19.064 ( -30.968 0.000 4.316) 31.267 19.064 ( 30.968 0.000 4.316) 31.267 19.209 ( -32.935 0.000 1.881) 32.989 19.209 ( 32.935 0.000 1.881) 32.989 19.415 ( -26.595 0.000 -2.063) 26.675 19.415 ( 26.595 0.000 -2.063) 26.675 19.957 ( -17.289 0.000 1.503) 17.354 19.957 ( 17.289 0.000 1.503) 17.354 19.988 ( -17.168 0.000 0.182) 17.169 19.988 ( 17.168 0.000 0.182) 17.169 20.114 ( -17.824 0.000 -1.685) 17.903 20.114 ( 17.824 0.000 -1.685) 17.903 20.159 ( -19.549 0.000 -1.624) 19.617 20.159 ( 19.549 0.000 -1.624) 19.617 25.979 ( -8.779 0.000 2.014) 9.007 25.979 ( 8.779 0.000 2.014) 9.007 25.992 ( -8.875 0.000 2.169) 9.136 25.992 ( 8.875 0.000 2.169) 9.136 26.394 ( -2.392 0.000 -2.583) 3.521 26.394 ( 2.392 0.000 -2.583) 3.521 26.404 ( -4.696 0.000 -3.510) 5.863 26.404 ( 4.696 0.000 -3.510) 5.863 26.598 ( -4.883 0.000 0.208) 4.887 26.598 ( 4.883 0.000 0.208) 4.887 26.701 ( -7.714 0.000 -1.002) 7.779 26.701 ( 7.714 0.000 -1.002) 7.779 27.033 ( -14.241 0.000 1.461) 14.316 27.033 ( 14.241 0.000 1.461) 14.316 27.183 ( -18.203 0.000 -0.574) 18.212 27.183 ( 18.203 0.000 -0.574) 18.212 27.621 ( -14.577 0.000 1.265) 14.632 27.621 ( 14.577 0.000 1.265) 14.632 27.661 ( -14.205 0.000 0.117) 14.205 27.661 ( 14.205 0.000 0.117) 14.205 28.022 ( -15.170 0.000 0.790) 15.190 28.022 ( 15.170 0.000 0.790) 15.190 28.246 ( -20.086 0.000 -2.498) 20.241 28.246 ( 20.086 0.000 -2.498) 20.241 29.004 ( -10.223 0.000 -0.388) 10.231 29.004 ( 10.223 0.000 -0.388) 10.231 29.030 ( -16.163 0.000 -0.692) 16.178 29.030 ( 16.164 0.000 -0.692) 16.178 29.168 ( -14.979 0.000 -1.551) 15.059 29.168 ( 14.979 0.000 -1.551) 15.059 29.168 ( -5.850 0.000 -2.165) 6.238 29.168 ( 5.850 0.000 -2.165) 6.238 30.167 ( -2.325 0.000 2.342) 3.300 30.167 ( 2.325 0.000 2.342) 3.300 30.313 ( -1.461 0.000 1.985) 2.465 30.313 ( 1.461 0.000 1.985) 2.465 30.750 ( -2.246 0.000 1.934) 2.964 30.750 ( 2.246 0.000 1.934) 2.964 30.836 ( -1.938 0.000 -1.633) 2.534 30.836 ( 1.938 0.000 -1.633) 2.534 31.065 ( -6.456 0.000 9.119) 11.173 31.065 ( 6.456 0.000 9.119) 11.173 31.373 ( -9.602 0.000 -1.262) 9.684 31.373 ( 9.602 0.000 -1.262) 9.684 31.537 ( -14.700 0.000 -3.837) 15.192 31.537 ( 14.700 0.000 -3.837) 15.192 31.983 ( -19.101 0.000 -5.805) 19.963 31.983 ( 19.101 0.000 -5.805) 19.963 ======================= Grid point 44 (19/48) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 0.000 31.102 29.801) 43.074 1.302 ( 0.000 30.971 37.319) 48.497 1.861 ( 0.000 -42.023 13.457) 44.125 1.966 ( 0.000 -34.783 25.527) 43.145 2.122 ( 0.000 53.573 47.655) 71.702 3.104 ( 0.000 -18.705 16.064) 24.656 3.199 ( 0.000 -2.716 19.146) 19.337 3.299 ( 0.000 29.630 8.762) 30.898 3.438 ( 0.000 -7.843 12.666) 14.897 3.594 ( 0.000 -9.339 -5.225) 10.701 3.764 ( 0.000 -7.396 -7.538) 10.561 3.901 ( 0.000 -19.075 4.667) 19.637 4.249 ( 0.000 9.731 -21.054) 23.194 4.252 ( 0.000 8.800 -8.888) 12.507 4.412 ( 0.000 -3.101 -7.429) 8.050 4.434 ( 0.000 -3.415 -1.965) 3.940 4.523 ( 0.000 2.444 5.465) 5.986 4.575 ( 0.000 -3.270 4.219) 5.338 4.636 ( 0.000 2.979 -4.358) 5.279 4.695 ( 0.000 -1.161 6.196) 6.304 4.749 ( 0.000 -0.838 -5.134) 5.202 4.881 ( 0.000 -14.460 -30.804) 34.029 4.981 ( 0.000 7.685 7.891) 11.015 5.155 ( 0.000 -8.705 -2.976) 9.199 5.396 ( 0.000 9.006 4.939) 10.271 5.555 ( 0.000 -6.978 -0.492) 6.996 5.574 ( 0.000 17.321 4.354) 17.860 5.675 ( 0.000 0.726 -1.831) 1.970 5.807 ( 0.000 1.303 4.301) 4.494 5.818 ( 0.000 -0.287 3.026) 3.040 5.842 ( 0.000 1.189 8.275) 8.360 5.880 ( 0.000 -4.005 -1.275) 4.203 6.118 ( 0.000 3.426 6.271) 7.146 6.176 ( 0.000 -0.181 6.558) 6.560 6.260 ( 0.000 3.259 -1.363) 3.532 6.282 ( 0.000 7.029 12.041) 13.943 6.336 ( 0.000 -4.245 -5.359) 6.837 6.426 ( 0.000 -4.727 2.840) 5.515 6.566 ( 0.000 6.282 -8.368) 10.463 6.589 ( 0.000 2.823 3.742) 4.687 6.595 ( 0.000 0.600 -2.892) 2.954 6.648 ( 0.000 1.701 0.341) 1.735 6.683 ( 0.000 3.424 -2.959) 4.526 6.778 ( 0.000 1.519 -5.363) 5.575 6.877 ( 0.000 3.119 3.988) 5.063 6.984 ( 0.000 -2.381 -0.727) 2.489 7.020 ( 0.000 5.982 -5.877) 8.386 7.039 ( 0.000 -2.033 -3.007) 3.630 7.112 ( 0.000 2.017 6.551) 6.854 7.197 ( 0.000 -6.168 4.058) 7.383 7.337 ( 0.000 -6.896 -0.533) 6.916 7.377 ( 0.000 -12.243 -0.467) 12.252 7.424 ( 0.000 -0.744 -13.231) 13.252 7.461 ( 0.000 -3.522 -11.546) 12.071 7.889 ( 0.000 -3.122 -10.164) 10.632 7.954 ( 0.000 -7.015 -13.478) 15.194 8.119 ( 0.000 0.102 4.436) 4.438 8.119 ( 0.000 -0.491 5.260) 5.283 8.201 ( 0.000 -0.232 -12.581) 12.583 8.219 ( 0.000 -2.493 -14.021) 14.240 8.334 ( 0.000 3.723 -7.154) 8.064 8.341 ( 0.000 5.559 -0.347) 5.570 8.411 ( 0.000 -2.362 -0.719) 2.470 8.478 ( 0.000 -6.436 -6.129) 8.888 8.559 ( 0.000 -1.611 3.268) 3.643 8.567 ( 0.000 -2.343 -2.502) 3.428 8.720 ( 0.000 3.886 3.873) 5.486 8.721 ( 0.000 2.360 8.779) 9.090 8.781 ( 0.000 1.241 7.401) 7.504 8.833 ( 0.000 -2.284 0.426) 2.324 8.925 ( 0.000 2.288 2.884) 3.681 9.013 ( 0.000 -6.095 6.708) 9.063 9.116 ( 0.000 5.565 3.603) 6.629 9.193 ( 0.000 -2.311 10.461) 10.713 9.304 ( 0.000 9.758 1.385) 9.856 9.441 ( 0.000 -1.615 3.174) 3.561 9.516 ( 0.000 1.465 5.121) 5.327 9.539 ( 0.000 -2.309 4.640) 5.182 9.608 ( 0.000 7.102 2.499) 7.529 9.676 ( 0.000 4.496 0.247) 4.503 9.710 ( 0.000 6.855 -8.133) 10.636 9.759 ( 0.000 6.395 7.483) 9.844 9.763 ( 0.000 13.115 -6.479) 14.628 9.891 ( 0.000 -2.039 -1.120) 2.326 9.977 ( 0.000 -11.652 -2.432) 11.903 10.010 ( 0.000 -9.237 -4.633) 10.334 10.048 ( 0.000 7.092 1.433) 7.236 10.161 ( 0.000 -0.499 -0.143) 0.519 10.173 ( 0.000 -3.642 -1.571) 3.966 10.213 ( 0.000 4.508 8.047) 9.223 10.267 ( 0.000 -0.853 4.337) 4.421 10.348 ( 0.000 5.916 -3.233) 6.741 10.403 ( 0.000 -2.093 8.930) 9.172 10.534 ( 0.000 -4.346 -2.162) 4.854 10.628 ( 0.000 1.051 -4.228) 4.357 10.643 ( 0.000 -4.581 -4.760) 6.606 10.655 ( 0.000 3.642 -7.063) 7.947 10.702 ( 0.000 -4.875 -4.313) 6.509 10.897 ( 0.000 2.854 -3.293) 4.358 10.946 ( 0.000 -5.437 -2.949) 6.185 11.064 ( 0.000 8.985 -8.262) 12.206 11.107 ( 0.000 4.563 7.508) 8.785 11.181 ( 0.000 0.006 -2.705) 2.705 11.197 ( 0.000 -2.425 -9.495) 9.800 11.313 ( 0.000 -1.883 -9.474) 9.660 11.342 ( 0.000 -6.580 5.071) 8.307 11.440 ( 0.000 -0.393 -2.851) 2.878 11.459 ( 0.000 -1.588 -4.083) 4.381 11.539 ( 0.000 6.204 -8.931) 10.875 11.614 ( 0.000 -3.685 -2.450) 4.425 11.645 ( 0.000 4.882 -3.977) 6.297 11.721 ( 0.000 -0.475 -2.864) 2.903 11.743 ( 0.000 0.285 -4.883) 4.891 11.803 ( 0.000 -4.721 -3.798) 6.059 11.944 ( 0.000 10.871 -6.016) 12.424 12.004 ( 0.000 6.033 -6.187) 8.642 12.096 ( 0.000 -4.466 -7.496) 8.726 12.122 ( 0.000 -4.889 -4.131) 6.400 12.167 ( 0.000 3.683 0.849) 3.780 12.257 ( 0.000 -3.269 -3.874) 5.069 12.354 ( 0.000 -1.240 -7.633) 7.733 12.356 ( 0.000 -2.378 -0.402) 2.412 12.534 ( 0.000 0.508 6.731) 6.750 12.542 ( 0.000 10.572 -2.979) 10.984 12.592 ( 0.000 0.082 5.253) 5.254 12.769 ( 0.000 -8.259 -3.820) 9.100 12.843 ( 0.000 2.988 -3.217) 4.390 12.887 ( 0.000 -2.036 -2.817) 3.476 12.963 ( 0.000 1.760 1.772) 2.497 13.054 ( 0.000 -7.452 4.331) 8.620 13.191 ( 0.000 6.866 1.128) 6.958 13.263 ( 0.000 1.710 -4.944) 5.232 13.365 ( 0.000 -1.543 -3.769) 4.073 13.370 ( 0.000 -5.035 1.993) 5.415 13.422 ( 0.000 5.317 3.597) 6.419 13.516 ( 0.000 -3.214 1.578) 3.581 13.585 ( 0.000 5.421 -2.697) 6.054 13.691 ( 0.000 -6.110 5.094) 7.955 13.804 ( 0.000 4.940 1.635) 5.204 13.809 ( 0.000 6.302 3.950) 7.438 13.861 ( 0.000 -1.659 4.453) 4.752 13.930 ( 0.000 -3.136 7.532) 8.159 13.985 ( 0.000 -0.366 3.062) 3.084 14.061 ( 0.000 -1.744 3.827) 4.205 14.155 ( 0.000 3.137 8.184) 8.765 14.230 ( 0.000 -1.352 -0.829) 1.586 14.327 ( 0.000 6.201 1.887) 6.482 14.447 ( 0.000 8.345 -6.712) 10.709 14.487 ( 0.000 -6.953 0.157) 6.955 14.613 ( 0.000 -1.279 8.660) 8.754 14.628 ( 0.000 -7.596 -2.568) 8.019 14.734 ( 0.000 -20.228 11.287) 23.164 14.923 ( 0.000 11.948 3.719) 12.513 15.109 ( 0.000 4.816 2.825) 5.584 15.170 ( 0.000 -16.094 8.116) 18.024 15.189 ( 0.000 -3.514 -0.020) 3.514 15.267 ( 0.000 0.076 1.979) 1.980 15.268 ( 0.000 -1.303 4.034) 4.239 15.404 ( 0.000 -0.091 2.816) 2.818 15.406 ( 0.000 -0.397 3.220) 3.244 15.494 ( 0.000 3.991 -3.382) 5.231 15.564 ( 0.000 -3.103 -2.735) 4.136 15.696 ( 0.000 -1.001 4.122) 4.242 15.696 ( 0.000 -2.016 4.507) 4.937 15.884 ( 0.000 0.092 -0.235) 0.253 15.898 ( 0.000 -0.959 1.611) 1.875 15.995 ( 0.000 1.410 -6.478) 6.630 16.006 ( 0.000 0.205 -2.893) 2.901 16.299 ( 0.000 3.232 5.684) 6.538 16.364 ( 0.000 -3.889 7.732) 8.655 16.531 ( 0.000 2.166 2.178) 3.072 16.569 ( 0.000 -2.693 1.974) 3.339 16.770 ( 0.000 0.982 10.520) 10.566 16.784 ( 0.000 0.088 8.391) 8.391 17.088 ( 0.000 1.019 3.186) 3.345 17.097 ( 0.000 0.870 1.782) 1.983 18.746 ( 0.000 3.791 -10.018) 10.712 18.798 ( 0.000 -2.611 -11.273) 11.572 18.951 ( 0.000 5.728 -7.208) 9.206 19.053 ( 0.000 -4.982 -5.373) 7.327 19.599 ( 0.000 1.724 -0.121) 1.728 19.641 ( 0.000 -2.489 -0.518) 2.542 19.802 ( 0.000 4.393 -5.512) 7.048 19.872 ( 0.000 -2.708 -6.248) 6.809 21.193 ( 0.000 1.845 6.363) 6.625 21.244 ( 0.000 -3.490 4.884) 6.003 21.350 ( 0.000 2.415 3.385) 4.158 21.418 ( 0.000 -4.315 1.384) 4.532 21.605 ( 0.000 4.299 2.486) 4.966 21.686 ( 0.000 -4.769 2.616) 5.439 21.912 ( 0.000 0.387 -1.444) 1.495 21.918 ( 0.000 -0.301 -1.792) 1.817 24.991 ( 0.000 0.032 0.063) 0.071 24.991 ( 0.000 -0.018 0.057) 0.060 25.004 ( 0.000 0.011 -0.167) 0.168 25.004 ( 0.000 -0.022 -0.151) 0.153 26.182 ( 0.000 2.832 2.329) 3.667 26.241 ( 0.000 -2.425 1.662) 2.940 26.266 ( 0.000 -0.014 3.750) 3.750 26.305 ( 0.000 -2.167 3.257) 3.911 26.356 ( 0.000 0.395 6.093) 6.106 26.420 ( 0.000 -11.126 13.423) 17.434 26.725 ( 0.000 2.281 1.854) 2.940 26.742 ( 0.000 0.828 0.439) 0.938 26.744 ( 0.000 -0.268 -1.159) 1.189 26.792 ( 0.000 -4.921 3.222) 5.882 27.029 ( 0.000 5.627 -2.737) 6.257 27.142 ( 0.000 -5.821 -2.240) 6.237 27.258 ( 0.000 1.707 1.718) 2.422 27.283 ( 0.000 -0.906 1.173) 1.482 27.372 ( 0.000 0.550 0.140) 0.568 27.386 ( 0.000 -0.852 0.284) 0.898 27.551 ( 0.000 12.609 1.418) 12.688 27.849 ( 0.000 -18.580 2.629) 18.766 28.364 ( 0.000 31.126 -31.773) 44.479 28.573 ( 0.000 3.000 -12.177) 12.542 29.220 ( 0.000 6.563 -5.923) 8.841 29.387 ( 0.000 -9.860 -1.882) 10.038 29.523 ( 0.000 1.716 -5.031) 5.315 29.563 ( 0.000 -2.126 -11.894) 12.083 29.861 ( 0.000 2.917 9.989) 10.406 29.926 ( 0.000 -3.789 8.263) 9.090 30.107 ( 0.000 4.250 0.988) 4.363 30.124 ( 0.000 -0.038 5.692) 5.692 30.132 ( 0.000 -0.317 6.650) 6.657 30.217 ( 0.000 -6.151 2.307) 6.570 30.328 ( 0.000 0.462 0.126) 0.479 30.345 ( 0.000 -2.319 3.830) 4.477 30.623 ( 0.000 1.348 2.341) 2.701 30.639 ( 0.000 -0.601 1.058) 1.217 30.652 ( 0.000 2.104 2.629) 3.367 30.695 ( 0.000 -1.851 -0.516) 1.921 31.108 ( 0.000 6.151 -4.709) 7.746 31.177 ( 0.000 14.776 -9.625) 17.634 31.180 ( 0.000 -3.871 -0.397) 3.891 31.346 ( 0.000 -2.824 -3.329) 4.365 33.006 ( 0.000 -0.061 1.399) 1.401 33.115 ( 0.000 -13.834 9.760) 16.931 33.477 ( 0.000 5.160 -8.682) 10.099 33.561 ( 0.000 -3.110 -7.282) 7.918 ======================= Grid point 45 (20/48) ======================= q-point: ( 0.10 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 5.134 24.373 26.883) 36.648 1.700 ( 30.402 23.217 34.792) 51.708 1.771 ( -2.427 -44.334 6.495) 44.873 2.200 ( 19.294 -15.094 26.479) 36.072 2.347 ( 23.704 32.404 38.984) 55.962 3.193 ( 8.197 -37.785 22.146) 44.557 3.231 ( 6.751 21.005 13.015) 25.616 3.455 ( 4.908 8.386 8.913) 13.186 3.478 ( 9.302 19.198 8.863) 23.101 3.825 ( 19.662 5.012 -17.078) 26.521 3.966 ( 13.445 -11.711 -13.603) 22.427 4.165 ( 24.793 -25.249 3.380) 35.548 4.412 ( 14.845 2.569 -9.737) 17.938 4.500 ( 12.674 -4.940 -6.658) 15.145 4.606 ( 10.550 5.761 -6.074) 13.468 4.645 ( 17.444 3.295 -5.798) 18.675 4.665 ( 17.588 4.793 -0.059) 18.229 4.732 ( 15.806 -0.247 -2.768) 16.048 4.764 ( 9.334 -1.951 1.932) 9.730 4.798 ( 15.715 -5.511 -2.873) 16.899 4.877 ( 25.474 2.092 -2.893) 25.723 4.968 ( 9.107 -3.178 -10.470) 14.236 5.074 ( 13.827 -1.393 -2.848) 14.186 5.166 ( 2.432 -6.509 -1.937) 7.214 5.416 ( 1.868 1.043 6.627) 6.963 5.473 ( -4.751 -4.227 3.331) 7.179 5.528 ( -0.086 11.875 2.657) 12.168 5.670 ( 3.339 -1.666 -1.271) 3.942 5.736 ( -4.726 5.036 8.948) 11.303 5.812 ( -0.455 -2.579 2.343) 3.514 5.949 ( 4.572 3.054 2.396) 5.998 5.996 ( 7.831 0.305 2.282) 8.162 6.138 ( 4.101 2.569 2.439) 5.419 6.198 ( 2.285 -0.791 -1.130) 2.669 6.256 ( -0.571 0.693 10.890) 10.927 6.312 ( 2.260 3.567 8.050) 9.090 6.343 ( -5.120 -5.636 2.367) 7.974 6.406 ( 1.837 -4.770 5.878) 7.789 6.535 ( -5.023 1.046 -2.576) 5.741 6.552 ( -1.274 5.080 0.585) 5.270 6.557 ( -1.568 1.080 -7.519) 7.756 6.632 ( -0.831 -0.683 -7.813) 7.887 6.737 ( 4.150 10.096 -2.262) 11.148 6.775 ( -2.508 4.713 2.335) 5.827 6.874 ( 2.902 3.850 0.972) 4.918 6.903 ( -7.659 7.378 -9.509) 14.266 6.989 ( 2.339 -3.919 0.388) 4.580 7.081 ( -0.117 0.605 3.119) 3.179 7.214 ( 5.051 -5.209 2.769) 7.766 7.260 ( 8.069 -7.462 -1.453) 11.086 7.366 ( 5.956 3.263 3.963) 7.863 7.433 ( 7.544 -0.415 -3.524) 8.337 7.547 ( 9.860 -2.261 -7.359) 12.509 7.633 ( 13.608 -7.994 -9.758) 18.555 7.856 ( -5.111 -1.401 -9.141) 10.566 7.935 ( -2.229 -8.351 -11.332) 14.253 8.014 ( -7.639 1.062 0.870) 7.761 8.056 ( -4.317 -2.876 4.597) 6.932 8.157 ( -2.900 -0.312 -3.852) 4.831 8.191 ( -3.435 -5.282 -12.057) 13.605 8.342 ( 0.707 3.569 -2.608) 4.477 8.389 ( 0.457 -1.224 -2.200) 2.558 8.431 ( 2.925 4.587 -2.049) 5.813 8.493 ( -1.406 -1.135 -2.530) 3.109 8.536 ( -2.372 2.502 1.244) 3.666 8.598 ( 2.065 -3.276 -4.866) 6.219 8.654 ( -3.843 3.589 4.092) 6.663 8.711 ( -1.677 0.511 1.627) 2.392 8.758 ( -3.690 -0.363 6.550) 7.526 8.774 ( -3.040 0.889 0.709) 3.246 8.833 ( -10.111 0.583 1.417) 10.226 8.894 ( -8.803 -5.762 2.885) 10.909 9.099 ( -4.888 1.024 9.797) 10.996 9.121 ( -2.623 0.028 10.112) 10.447 9.257 ( -7.755 3.491 1.060) 8.571 9.308 ( -11.783 -2.117 -1.267) 12.038 9.412 ( -5.700 3.022 5.867) 8.721 9.471 ( -1.782 1.340 3.604) 4.238 9.527 ( -5.671 11.240 -4.248) 13.287 9.626 ( -6.391 14.713 -2.396) 16.219 9.660 ( -1.813 4.217 2.930) 5.446 9.726 ( -3.322 8.132 -1.840) 8.975 9.802 ( -1.154 1.515 1.316) 2.315 9.860 ( -4.640 2.244 -0.420) 5.171 9.914 ( -9.437 5.791 1.775) 11.214 9.959 ( -2.101 -9.717 -2.754) 10.316 10.018 ( -2.845 -3.782 -3.474) 5.871 10.102 ( -3.941 2.808 1.203) 4.987 10.134 ( -2.981 -4.281 -1.507) 5.430 10.210 ( 1.803 2.787 3.665) 4.945 10.266 ( -1.385 -4.701 -1.386) 5.093 10.396 ( 3.616 3.882 1.981) 5.663 10.422 ( 0.818 -10.552 4.471) 11.489 10.487 ( -0.978 -7.343 1.674) 7.594 10.560 ( -2.622 -1.123 0.020) 2.852 10.618 ( -1.483 0.271 0.644) 1.640 10.647 ( -2.497 -2.704 1.112) 3.844 10.694 ( 1.598 -3.551 -6.634) 7.692 10.816 ( -6.760 7.967 -1.725) 10.590 10.939 ( -3.748 -1.167 -4.274) 5.803 11.037 ( -0.242 2.723 -0.755) 2.836 11.055 ( 3.548 -0.523 2.905) 4.615 11.123 ( -3.997 -0.802 -1.678) 4.409 11.166 ( -1.025 -4.408 -4.849) 6.633 11.307 ( -2.240 1.241 -3.003) 3.946 11.362 ( -1.972 -3.480 2.202) 4.566 11.422 ( -4.168 4.274 -6.486) 8.816 11.460 ( 3.341 2.124 -0.817) 4.042 11.574 ( 0.609 4.277 -3.336) 5.458 11.638 ( -1.303 2.887 -4.077) 5.163 11.709 ( 8.631 -0.602 -1.405) 8.765 11.741 ( -0.818 -2.945 0.432) 3.087 11.791 ( 5.459 1.156 -5.712) 7.985 11.845 ( 5.546 -0.310 -5.190) 7.602 11.929 ( 0.945 1.653 -2.786) 3.375 11.990 ( -0.276 4.203 -5.426) 6.870 12.025 ( -4.540 -7.432 -1.328) 8.810 12.090 ( -1.554 0.228 -2.587) 3.027 12.168 ( 1.013 -2.636 -2.469) 3.751 12.202 ( -0.532 -2.851 0.845) 3.021 12.304 ( -2.292 4.668 -4.590) 6.936 12.411 ( 2.672 -3.704 -1.456) 4.793 12.489 ( 0.033 2.263 -0.114) 2.266 12.578 ( 1.142 3.055 -1.666) 3.663 12.672 ( 4.049 0.284 -1.455) 4.312 12.767 ( -0.948 -4.093 -2.080) 4.688 12.838 ( -2.737 -0.668 -4.394) 5.219 12.880 ( 0.779 -1.949 -0.854) 2.266 13.077 ( 7.971 1.326 2.637) 8.500 13.092 ( 6.712 -0.174 5.120) 8.444 13.198 ( -6.480 4.675 1.938) 8.222 13.305 ( 6.757 7.657 2.814) 10.593 13.325 ( -2.499 -5.361 -0.355) 5.926 13.469 ( 3.261 -5.671 -2.103) 6.871 13.520 ( 5.981 4.022 -0.580) 7.231 13.574 ( 6.261 0.829 -0.202) 6.318 13.575 ( 1.269 3.147 4.043) 5.278 13.728 ( 4.404 -7.235 3.328) 9.100 13.809 ( -1.393 4.419 9.257) 10.352 13.867 ( 2.271 3.095 -1.363) 4.073 13.906 ( 1.152 -1.445 8.456) 8.655 13.938 ( 0.128 -4.550 5.962) 7.501 13.992 ( 3.047 -0.474 0.009) 3.084 14.021 ( 4.484 -1.936 2.954) 5.708 14.168 ( -0.898 2.492 5.952) 6.515 14.206 ( -9.322 -0.884 3.002) 9.833 14.249 ( 4.388 1.181 7.156) 8.477 14.333 ( 2.869 -7.677 13.860) 16.102 14.512 ( 5.696 7.520 -4.671) 10.527 14.665 ( 6.190 -8.338 -3.420) 10.933 14.706 ( 1.955 9.301 -2.912) 9.940 14.890 ( 2.581 -8.660 -6.392) 11.069 15.053 ( 7.752 8.212 -1.520) 11.394 15.148 ( 1.116 -3.479 -1.755) 4.053 15.156 ( 5.965 9.582 2.367) 11.533 15.254 ( 1.624 1.093 0.309) 1.982 15.271 ( 1.498 0.755 0.894) 1.900 15.359 ( 5.320 -2.515 -4.093) 7.169 15.439 ( 3.938 0.161 0.375) 3.959 15.455 ( 4.809 -2.035 -1.468) 5.424 15.615 ( 6.470 3.796 -4.450) 8.722 15.678 ( 5.161 -3.551 -1.765) 6.508 15.742 ( 6.008 1.661 3.685) 7.241 15.822 ( 6.398 -3.689 0.888) 7.438 15.863 ( 0.162 0.165 -2.002) 2.015 15.905 ( 0.686 -3.459 -4.872) 6.014 16.075 ( 5.388 2.877 3.200) 6.895 16.118 ( 10.011 -1.809 -0.140) 10.174 16.283 ( -1.967 -1.387 3.558) 4.295 16.298 ( -2.871 -4.020 6.158) 7.894 16.526 ( -1.810 3.606 -0.183) 4.039 16.571 ( -6.730 -1.402 1.343) 7.004 16.730 ( -1.682 5.763 10.578) 12.163 16.898 ( 3.021 -10.000 -3.341) 10.968 17.011 ( -7.215 2.321 4.372) 8.750 17.103 ( 6.413 -10.358 -1.076) 12.230 18.607 ( -11.100 4.414 -5.554) 13.173 18.709 ( -6.930 -6.900 -6.463) 11.722 18.920 ( -5.585 4.372 -8.596) 11.144 19.001 ( -6.088 -3.671 -6.536) 9.657 19.589 ( -1.194 1.163 -0.291) 1.692 19.625 ( -1.289 -2.286 -0.423) 2.658 19.739 ( -5.105 5.613 -4.201) 8.673 19.841 ( -3.446 -5.247 -7.232) 9.576 21.081 ( -11.527 1.624 6.682) 13.422 21.125 ( -12.424 -3.135 6.310) 14.283 21.243 ( -10.080 3.623 2.147) 10.924 21.318 ( -10.344 -4.313 1.104) 11.261 21.509 ( -10.008 3.799 2.786) 11.061 21.574 ( -11.209 -3.268 2.949) 12.043 21.815 ( -9.998 0.199 -1.270) 10.080 21.821 ( -10.374 -0.416 -1.214) 10.453 25.077 ( 7.947 0.199 0.481) 7.964 25.081 ( 7.883 -0.250 0.328) 7.894 25.242 ( 21.528 3.578 -4.011) 22.189 25.348 ( 26.046 -7.870 -11.179) 29.416 26.201 ( 1.919 2.965 2.369) 4.253 26.268 ( 2.107 -3.408 1.656) 4.335 26.277 ( 0.145 -0.097 3.834) 3.838 26.290 ( 1.051 -1.016 2.482) 2.880 26.344 ( -1.084 0.273 6.125) 6.227 26.394 ( -1.659 -6.851 12.072) 13.979 26.750 ( 0.844 0.881 -1.054) 1.612 26.769 ( 2.143 -1.240 -0.234) 2.487 26.791 ( 5.320 1.572 2.893) 6.256 26.829 ( 4.238 -1.575 0.592) 4.560 27.043 ( 2.233 5.346 -2.562) 6.335 27.153 ( 1.608 -5.628 -2.399) 6.326 27.336 ( 3.102 5.420 1.922) 6.534 27.389 ( 5.800 -0.025 0.573) 5.828 27.469 ( 6.305 1.230 -0.087) 6.424 27.487 ( 10.736 -0.601 -0.110) 10.754 27.588 ( 6.623 6.942 1.457) 9.705 27.812 ( -1.818 -16.237 2.186) 16.484 28.432 ( 3.808 15.541 -24.161) 28.979 28.594 ( 3.647 -2.017 -18.805) 19.262 29.136 ( -8.527 8.372 -5.283) 13.066 29.327 ( -6.580 -8.530 -2.824) 11.137 29.421 ( -9.079 3.015 -6.799) 11.737 29.503 ( -6.843 -3.921 -9.499) 12.346 29.794 ( -6.355 3.800 9.022) 11.672 29.883 ( -5.144 -5.683 7.609) 10.800 30.044 ( -6.061 1.554 2.726) 6.825 30.071 ( -5.363 -1.471 3.873) 6.777 30.129 ( 0.245 4.230 5.124) 6.649 30.227 ( 0.640 -5.379 2.003) 5.775 30.332 ( 0.446 0.214 0.109) 0.506 30.347 ( 0.039 -2.571 3.813) 4.599 30.623 ( -0.123 5.133 2.251) 5.606 30.653 ( 1.920 0.592 1.301) 2.393 30.686 ( 2.932 -0.123 1.853) 3.471 30.741 ( 3.891 -4.369 0.170) 5.853 31.091 ( -1.340 5.622 -4.316) 7.213 31.148 ( -1.986 9.313 -6.475) 11.515 31.173 ( -1.207 1.748 -4.110) 4.626 31.323 ( -2.175 -2.458 -3.243) 4.614 32.536 ( -37.095 10.281 23.669) 45.188 32.802 ( -26.622 -17.339 5.630) 32.266 33.341 ( -14.486 7.695 -8.106) 18.297 33.447 ( -11.332 -3.895 -7.197) 13.978 ======================= Grid point 46 (21/48) ======================= q-point: ( 0.20 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 25.921 13.273 17.080) 33.761 1.891 ( 15.150 -37.465 0.266) 40.413 2.327 ( 32.855 17.508 30.891) 48.376 2.666 ( 27.697 -10.241 18.953) 35.089 2.962 ( 36.980 16.887 25.128) 47.792 3.374 ( 9.888 8.869 -0.246) 13.285 3.417 ( 11.159 14.046 10.581) 20.827 3.557 ( 6.561 -7.149 7.008) 11.969 3.732 ( 18.017 -2.333 12.199) 21.883 4.104 ( 8.298 -16.163 -11.512) 21.509 4.267 ( 18.697 9.906 -11.958) 24.304 4.447 ( 2.720 5.514 -2.716) 6.722 4.584 ( -1.575 -3.311 -5.091) 6.274 4.641 ( 7.308 -3.883 -9.558) 12.643 4.772 ( 13.244 -4.337 -3.096) 14.276 4.890 ( 4.151 -9.487 0.419) 10.364 5.016 ( 10.191 2.624 -2.011) 10.714 5.073 ( 11.281 -1.829 -5.256) 12.579 5.098 ( 13.253 3.446 -9.578) 16.711 5.137 ( 16.246 1.269 -3.911) 16.758 5.240 ( 8.363 -1.805 -0.438) 8.567 5.325 ( 0.035 -6.554 1.042) 6.637 5.328 ( 9.788 0.918 1.341) 9.922 5.402 ( 22.801 -3.040 4.090) 23.363 5.573 ( 11.324 9.794 -0.253) 14.974 5.617 ( 21.794 3.942 -3.075) 22.360 5.780 ( 23.087 -2.953 -1.130) 23.303 5.826 ( 14.891 -5.536 -3.336) 16.233 5.876 ( 27.573 1.418 3.326) 27.809 5.912 ( 16.379 -0.303 0.996) 16.412 5.983 ( 7.244 0.805 -1.378) 7.418 6.052 ( -0.252 -4.814 2.586) 5.470 6.162 ( -5.201 3.855 0.335) 6.482 6.254 ( -1.358 -3.270 -1.014) 3.683 6.288 ( 2.184 2.752 5.390) 6.434 6.319 ( 4.002 0.778 1.901) 4.498 6.362 ( 0.897 -1.405 7.090) 7.284 6.409 ( 17.745 -2.904 3.504) 18.319 6.494 ( -0.094 5.721 -2.085) 6.090 6.581 ( 11.675 4.822 5.514) 13.783 6.614 ( -1.171 -4.057 -2.144) 4.735 6.673 ( 3.796 -1.193 1.185) 4.152 6.729 ( 6.202 3.882 7.509) 10.484 6.802 ( 0.066 10.290 0.596) 10.307 6.830 ( 6.500 -2.411 0.462) 6.948 6.919 ( -0.288 1.103 1.739) 2.080 7.067 ( 4.641 0.502 1.912) 5.044 7.102 ( 3.589 -2.153 1.031) 4.310 7.315 ( 4.455 4.637 -0.359) 6.441 7.385 ( 4.724 -2.932 -1.742) 5.826 7.487 ( 0.714 3.483 -1.470) 3.848 7.572 ( -4.788 -3.201 2.660) 6.344 7.645 ( 2.733 0.805 -0.527) 2.898 7.741 ( 0.770 -2.098 2.859) 3.629 7.782 ( -4.206 -4.628 -5.206) 8.137 7.831 ( -3.987 -2.998 4.715) 6.864 7.957 ( 2.093 4.158 -7.960) 9.221 8.012 ( -6.746 0.530 -3.188) 7.480 8.059 ( -3.033 -1.790 -6.924) 7.768 8.122 ( -6.307 -6.146 -8.750) 12.414 8.285 ( -9.575 5.243 3.831) 11.569 8.317 ( -8.822 6.610 4.123) 11.769 8.379 ( -2.186 -0.174 -0.285) 2.212 8.469 ( -4.690 2.596 0.789) 5.418 8.488 ( -6.703 -8.341 3.135) 11.150 8.553 ( -3.730 2.317 -1.399) 4.608 8.616 ( -1.804 -6.651 0.367) 6.901 8.652 ( 3.413 -2.253 -7.827) 8.831 8.697 ( 0.242 -1.306 -0.906) 1.608 8.706 ( 2.524 -3.115 -1.791) 4.391 8.810 ( 0.853 0.323 -2.473) 2.636 8.881 ( 5.491 -2.515 -0.079) 6.040 8.965 ( -7.520 1.584 -2.309) 8.024 9.025 ( -0.587 -3.865 1.256) 4.106 9.102 ( -7.668 3.519 6.701) 10.774 9.148 ( -4.368 0.234 6.706) 8.007 9.338 ( -5.635 13.896 1.960) 15.123 9.358 ( -1.280 10.267 2.336) 10.607 9.481 ( -3.660 21.367 2.045) 21.774 9.582 ( -3.256 -9.054 3.388) 10.201 9.610 ( -0.160 -2.443 -2.032) 3.182 9.660 ( -2.483 -1.891 -1.113) 3.314 9.722 ( 0.989 2.223 -2.398) 3.416 9.777 ( -0.867 2.581 -6.948) 7.462 9.830 ( -1.939 1.816 -3.078) 4.066 9.916 ( -3.857 6.887 0.690) 7.924 9.950 ( 3.181 -8.821 -0.431) 9.387 10.018 ( -3.589 1.593 0.646) 3.980 10.133 ( 2.238 -9.230 -4.134) 10.358 10.213 ( -4.309 -9.642 -8.553) 13.590 10.273 ( 1.949 -2.761 1.790) 3.825 10.343 ( -1.469 -7.259 3.589) 8.230 10.447 ( -0.481 4.159 1.239) 4.367 10.518 ( 0.733 -1.542 5.731) 5.980 10.601 ( 0.924 -0.908 2.682) 2.979 10.611 ( -0.376 -1.603 -3.068) 3.482 10.664 ( 2.165 -2.213 -3.022) 4.326 10.697 ( -0.770 -5.262 -7.250) 8.991 10.730 ( -2.878 3.003 -1.150) 4.316 10.804 ( -5.336 -2.346 -0.764) 5.879 11.001 ( -1.432 7.884 -1.131) 8.092 11.063 ( 0.247 1.170 2.972) 3.204 11.107 ( -6.844 5.431 2.466) 9.078 11.153 ( 2.218 -0.273 1.868) 2.912 11.224 ( -2.129 -5.055 1.034) 5.581 11.276 ( -6.841 -8.296 -0.483) 10.763 11.408 ( -2.289 3.690 -0.338) 4.355 11.457 ( -2.928 0.047 -0.893) 3.061 11.523 ( -3.128 8.604 -3.791) 9.909 11.605 ( -1.989 4.105 -0.921) 4.654 11.751 ( 0.816 2.025 -3.718) 4.312 11.821 ( -1.116 -1.740 1.504) 2.557 11.900 ( 3.064 -0.007 -0.078) 3.065 11.904 ( 3.129 -0.318 -4.609) 5.580 11.981 ( 4.065 2.808 -1.376) 5.128 12.027 ( 0.491 -0.561 -3.858) 3.930 12.065 ( 6.376 -3.615 -1.253) 7.436 12.093 ( 3.510 -2.926 -3.217) 5.588 12.185 ( 2.224 -2.619 6.066) 6.971 12.245 ( 3.128 -6.573 -1.305) 7.395 12.311 ( 3.985 11.918 -1.987) 12.723 12.466 ( 3.663 0.219 -1.566) 3.989 12.538 ( 4.133 -0.261 -3.331) 5.315 12.576 ( -0.973 -1.415 -0.899) 1.938 12.732 ( -1.467 0.109 -4.409) 4.648 12.748 ( -0.174 -3.984 -3.474) 5.289 12.845 ( 5.657 2.516 -5.790) 8.476 12.922 ( 3.168 -2.963 -4.669) 6.372 12.985 ( -10.529 7.164 2.105) 12.908 13.114 ( -6.045 2.568 0.360) 6.577 13.159 ( -6.143 -4.271 3.141) 8.114 13.251 ( 0.812 -7.383 3.889) 8.384 13.417 ( 1.951 3.242 3.951) 5.470 13.522 ( 4.102 -5.385 4.643) 8.209 13.580 ( -3.728 3.221 7.919) 9.326 13.641 ( -6.851 -0.135 9.555) 11.758 13.667 ( 7.909 6.098 -3.601) 10.616 13.721 ( 5.494 1.891 -2.772) 6.438 13.843 ( 1.534 3.935 5.218) 6.713 13.867 ( -5.631 -1.487 -1.288) 5.965 13.962 ( 2.199 -0.196 -0.520) 2.268 13.995 ( 7.497 -1.116 8.222) 11.183 14.079 ( 11.657 0.819 3.086) 12.086 14.113 ( 6.028 -0.577 3.003) 6.759 14.154 ( 6.307 -4.561 4.638) 9.060 14.190 ( 5.659 -5.408 1.255) 7.928 14.411 ( 7.038 1.121 5.793) 9.184 14.489 ( 5.117 -5.767 5.422) 9.425 14.605 ( 3.863 7.267 -2.036) 8.478 14.744 ( 2.989 -0.677 -1.947) 3.631 14.769 ( 6.714 5.290 -0.791) 8.584 14.953 ( 4.509 -5.268 -2.895) 7.515 15.151 ( 3.506 3.918 1.070) 5.366 15.186 ( 2.152 -0.007 -4.526) 5.011 15.265 ( 7.048 -0.383 0.023) 7.058 15.313 ( 4.798 -4.088 3.525) 7.222 15.376 ( 8.725 3.529 -5.080) 10.695 15.435 ( 4.513 -2.845 -3.166) 6.203 15.555 ( 7.075 2.776 -2.470) 7.992 15.601 ( 8.769 -2.502 -4.780) 10.295 15.708 ( 2.761 1.170 -1.638) 3.417 15.735 ( 1.913 -2.236 0.872) 3.069 15.846 ( 1.928 2.651 -0.328) 3.295 15.885 ( 0.564 -1.029 -0.103) 1.178 15.886 ( 2.689 2.141 -5.985) 6.902 15.914 ( -0.522 -0.343 -5.349) 5.385 16.111 ( -5.453 2.392 -0.138) 5.956 16.190 ( -4.355 -5.056 0.299) 6.680 16.273 ( 7.752 5.070 4.641) 10.360 16.340 ( 2.160 -1.006 2.943) 3.786 16.392 ( -7.429 1.668 5.732) 9.530 16.432 ( -6.150 -3.201 4.601) 8.321 16.684 ( -7.530 6.506 1.736) 10.101 16.753 ( -12.137 -2.028 1.648) 12.415 16.917 ( 1.797 13.216 4.430) 14.054 17.252 ( 3.640 -18.298 -13.248) 22.882 18.405 ( -7.991 7.221 -1.772) 10.915 18.594 ( -4.822 -12.605 -1.808) 13.616 18.736 ( -11.559 4.455 -6.631) 14.050 18.820 ( -11.187 -3.327 -5.775) 13.022 19.561 ( -1.127 1.120 -0.218) 1.603 19.593 ( -1.784 -1.355 -0.698) 2.347 19.677 ( -0.417 4.502 -2.743) 5.289 19.769 ( -2.891 -4.967 -5.921) 8.251 20.758 ( -21.501 0.952 6.846) 22.585 20.781 ( -22.705 -1.313 6.758) 23.725 20.969 ( -18.559 2.301 1.037) 18.730 21.019 ( -20.630 -2.806 0.699) 20.832 21.229 ( -18.521 2.192 3.168) 18.917 21.266 ( -20.249 -1.711 3.558) 20.630 21.521 ( -20.236 0.281 -0.921) 20.259 21.529 ( -19.483 -0.464 -1.038) 19.516 25.281 ( 12.557 0.048 1.581) 12.656 25.283 ( 12.359 -0.138 1.341) 12.432 25.677 ( 21.175 4.542 -7.922) 23.060 25.782 ( 18.202 -5.858 -12.728) 22.970 26.251 ( 2.249 2.260 3.089) 4.439 26.265 ( 1.364 2.204 2.079) 3.323 26.316 ( -1.411 -0.604 5.113) 5.339 26.337 ( 1.377 -3.522 5.113) 6.359 26.354 ( 5.296 -1.549 2.749) 6.165 26.392 ( 3.491 -4.491 5.515) 7.922 26.744 ( -1.982 1.113 -1.598) 2.778 26.768 ( -2.579 -1.431 -1.616) 3.363 26.928 ( 8.668 2.678 2.185) 9.332 26.955 ( 8.712 0.972 0.591) 8.786 27.139 ( 5.187 5.026 -4.256) 8.383 27.227 ( 6.513 -3.792 -2.460) 7.928 27.308 ( -2.200 7.037 3.560) 8.188 27.446 ( -2.843 13.238 0.897) 13.569 27.493 ( -2.406 -9.175 2.606) 9.837 27.653 ( 4.388 -8.806 -0.308) 9.844 27.814 ( 15.092 2.331 1.138) 15.314 27.895 ( 10.053 -7.560 1.444) 12.661 28.463 ( 1.324 11.435 -10.844) 15.815 28.688 ( 2.952 -13.984 -18.342) 23.253 28.910 ( -13.827 12.335 -4.054) 18.968 29.130 ( -13.003 -3.074 -7.064) 15.114 29.212 ( -12.084 -0.856 -7.177) 14.080 29.302 ( -13.437 -4.621 -8.016) 16.315 29.635 ( -9.605 3.649 7.567) 12.761 29.726 ( -10.519 -6.021 7.399) 14.200 29.888 ( -9.921 2.057 1.318) 10.218 29.936 ( -8.726 -2.874 1.034) 9.245 30.138 ( 0.728 5.334 4.913) 7.289 30.239 ( 0.653 -4.199 1.302) 4.444 30.336 ( -0.557 -0.164 0.371) 0.689 30.349 ( 0.459 -2.891 3.172) 4.316 30.618 ( -0.419 8.799 2.301) 9.105 30.698 ( 2.393 1.251 1.532) 3.105 30.750 ( 3.530 -1.433 2.208) 4.403 30.809 ( 2.308 -8.318 0.974) 8.687 31.074 ( -1.153 10.933 -6.723) 12.886 31.118 ( -0.188 9.928 -5.889) 11.545 31.164 ( 1.795 -2.956 -2.000) 3.995 31.277 ( -1.886 -2.585 -3.652) 4.855 31.905 ( -26.269 11.408 26.460) 38.992 32.243 ( -28.609 -22.833 7.068) 37.280 32.971 ( -22.415 12.344 -7.246) 26.595 33.140 ( -19.629 -6.167 -7.501) 21.900 ======================= Grid point 47 (22/48) ======================= q-point: ( 0.30 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 32.834 7.961 10.368) 35.340 2.290 ( 24.317 -25.368 0.244) 35.141 2.929 ( 27.965 14.044 17.025) 35.625 3.179 ( 22.887 -9.285 9.311) 26.396 3.515 ( 12.888 23.385 -2.074) 26.781 3.644 ( 15.475 4.861 6.663) 17.536 3.661 ( 14.899 -4.580 1.843) 15.696 3.789 ( 24.606 6.587 11.570) 27.977 4.117 ( 16.742 -10.419 7.564) 21.120 4.257 ( 10.455 -8.972 -1.738) 13.886 4.443 ( -5.779 5.267 -2.719) 8.278 4.501 ( -3.102 -0.343 -7.315) 7.952 4.613 ( 12.239 0.722 -5.837) 13.579 4.710 ( 1.627 -4.277 -3.239) 5.606 4.896 ( -0.463 0.789 -4.006) 4.109 4.986 ( 4.584 3.113 -0.369) 5.553 5.044 ( -3.910 3.523 5.383) 7.529 5.067 ( -0.118 2.471 2.112) 3.253 5.207 ( 3.013 -11.348 -3.369) 12.215 5.246 ( 0.322 -6.429 -3.352) 7.257 5.395 ( 5.487 3.328 -11.425) 13.104 5.443 ( 3.307 0.320 -6.301) 7.124 5.498 ( 7.954 2.417 -2.639) 8.722 5.567 ( 5.816 -5.053 -4.686) 9.017 5.681 ( -8.345 -1.900 1.278) 8.654 5.727 ( 3.720 -5.258 -0.353) 6.451 5.939 ( -1.991 5.267 7.434) 9.326 5.968 ( 6.161 1.993 -0.529) 6.497 6.105 ( 2.416 1.573 -0.478) 2.922 6.145 ( -5.699 0.248 3.853) 6.884 6.181 ( 3.310 1.440 -3.099) 4.757 6.257 ( 5.241 -5.488 -5.919) 9.624 6.364 ( 13.187 6.104 -0.721) 14.549 6.407 ( 13.708 1.465 -2.810) 14.069 6.455 ( 12.417 3.685 -0.460) 12.960 6.478 ( 15.026 6.717 0.023) 16.459 6.512 ( 7.084 -4.884 0.540) 8.621 6.576 ( 7.486 2.687 7.039) 10.621 6.652 ( 8.850 -2.865 -0.615) 9.323 6.730 ( 5.986 2.773 1.569) 6.781 6.790 ( 5.518 1.715 2.489) 6.292 6.825 ( 1.879 -2.414 -3.711) 4.809 6.909 ( 7.283 -1.033 7.025) 10.171 7.028 ( 14.460 -0.494 4.776) 15.237 7.033 ( 13.578 -6.445 8.647) 17.340 7.105 ( 26.066 -3.362 8.407) 27.594 7.209 ( 7.309 5.072 -1.990) 9.117 7.283 ( 19.514 3.375 1.945) 19.899 7.315 ( -1.095 -2.464 1.848) 3.269 7.335 ( -0.151 2.458 -0.243) 2.474 7.415 ( -2.298 -0.999 3.185) 4.052 7.511 ( -1.511 -1.457 -0.443) 2.146 7.640 ( -3.141 -2.055 5.054) 6.295 7.664 ( -0.255 -2.984 -4.187) 5.148 7.743 ( 1.478 6.426 1.908) 6.864 7.820 ( -1.413 5.497 2.979) 6.410 7.857 ( -4.680 -1.718 1.256) 5.141 7.957 ( -0.797 4.083 3.770) 5.614 7.987 ( -2.173 -3.411 -0.342) 4.059 8.033 ( -0.288 0.120 -0.788) 0.847 8.118 ( -1.849 1.703 4.444) 5.106 8.246 ( 4.248 -7.023 -2.290) 8.521 8.295 ( -9.265 3.524 1.255) 9.992 8.379 ( -5.455 -1.092 -2.106) 5.949 8.439 ( -1.935 0.510 -5.962) 6.289 8.474 ( -1.889 -2.220 1.589) 3.320 8.560 ( -3.807 -1.471 -2.902) 5.008 8.639 ( -4.022 -8.250 3.957) 9.995 8.654 ( 0.282 -4.783 1.561) 5.039 8.708 ( -0.246 -7.478 -5.683) 9.396 8.814 ( -2.829 5.793 -3.175) 7.186 8.866 ( -7.317 2.442 4.245) 8.805 8.975 ( 2.806 4.111 -1.458) 5.186 9.051 ( 6.495 5.141 -3.763) 9.098 9.081 ( -1.218 0.787 -0.757) 1.636 9.191 ( 1.895 1.086 -3.140) 3.825 9.260 ( 1.240 9.770 3.877) 10.584 9.336 ( 0.219 6.716 1.227) 6.831 9.457 ( -6.430 0.532 3.229) 7.215 9.494 ( -0.635 -2.075 -0.524) 2.232 9.655 ( 3.290 4.590 -2.636) 6.232 9.744 ( 3.774 -3.424 -5.639) 7.600 9.754 ( 16.872 -3.819 1.541) 17.367 9.832 ( 2.558 -5.959 -5.459) 8.477 9.928 ( 6.093 7.491 1.466) 9.766 9.964 ( 1.375 -2.432 -2.731) 3.907 10.031 ( 12.017 -1.392 -4.254) 12.824 10.089 ( 6.355 -5.005 -6.099) 10.131 10.148 ( 1.356 -4.606 -5.985) 7.673 10.221 ( 3.800 -5.906 -4.236) 8.201 10.258 ( -3.573 -2.356 -0.356) 4.295 10.292 ( -3.968 -6.382 -0.922) 7.571 10.380 ( 1.820 10.757 1.637) 11.032 10.530 ( -7.651 3.559 -2.733) 8.870 10.557 ( -8.465 -0.485 -4.972) 9.830 10.561 ( 3.453 -1.524 0.298) 3.786 10.643 ( 4.061 -0.469 -2.891) 5.007 10.677 ( 3.138 -3.845 1.508) 5.187 10.750 ( 3.381 2.584 -2.279) 4.827 10.826 ( 1.828 -0.619 -5.091) 5.445 10.931 ( 0.350 3.954 2.562) 4.724 11.044 ( -5.547 -1.462 4.088) 7.044 11.095 ( -8.072 -1.673 3.433) 8.930 11.117 ( -1.108 0.896 3.680) 3.946 11.162 ( -5.273 -1.441 1.886) 5.783 11.214 ( 4.282 -1.916 6.138) 7.725 11.297 ( -5.980 2.136 3.045) 7.042 11.357 ( -5.908 -4.411 2.682) 7.846 11.509 ( 0.848 11.428 -5.343) 12.644 11.571 ( -0.751 7.866 -2.548) 8.303 11.739 ( -3.177 -3.456 -3.893) 6.098 11.767 ( -1.721 -3.994 -3.944) 5.871 11.900 ( -0.896 -2.066 -1.544) 2.730 11.927 ( -4.350 5.480 0.693) 7.031 11.953 ( -1.244 -7.036 0.084) 7.145 12.040 ( -3.698 -4.994 0.540) 6.237 12.107 ( 1.736 5.176 -5.436) 7.704 12.186 ( 1.052 -2.315 -4.719) 5.361 12.279 ( 3.248 4.122 3.306) 6.202 12.345 ( 8.596 -1.104 1.253) 8.757 12.403 ( 4.215 7.394 -0.082) 8.511 12.461 ( -7.589 3.273 0.103) 8.265 12.548 ( -11.963 -1.223 -0.146) 12.026 12.570 ( 2.190 -7.105 -0.824) 7.481 12.640 ( -0.546 3.246 -0.555) 3.338 12.729 ( -4.175 -3.101 -0.379) 5.215 12.850 ( -2.215 0.696 -0.300) 2.341 12.900 ( 2.101 -4.244 0.811) 4.804 12.991 ( 4.425 5.053 -5.966) 8.984 13.052 ( -3.712 2.851 -2.007) 5.093 13.126 ( 5.218 -1.424 -3.744) 6.578 13.222 ( -1.187 -6.809 1.424) 7.056 13.336 ( -6.591 5.486 4.122) 9.514 13.487 ( -3.042 -8.489 6.171) 10.927 13.558 ( -1.156 -1.104 1.357) 2.097 13.589 ( -3.172 -4.259 2.467) 5.855 13.656 ( -3.195 6.322 5.644) 9.057 13.763 ( 1.851 -2.129 4.886) 5.642 13.856 ( 6.000 8.465 -7.301) 12.687 13.935 ( 5.800 -1.138 -9.267) 10.992 14.128 ( 7.299 5.377 2.930) 9.528 14.157 ( 6.504 0.398 2.396) 6.943 14.232 ( 6.630 -1.528 1.061) 6.886 14.273 ( 7.966 -1.465 6.577) 10.434 14.302 ( 10.695 -2.551 2.768) 11.338 14.362 ( 9.645 -5.808 0.954) 11.299 14.502 ( 4.262 2.092 7.547) 8.917 14.570 ( 4.697 -3.579 8.137) 10.054 14.673 ( 4.076 6.709 -1.133) 7.931 14.806 ( 3.824 -7.483 -0.944) 8.456 14.893 ( 4.180 8.541 -0.163) 9.510 15.029 ( 2.795 -4.209 -1.279) 5.211 15.191 ( 0.745 6.407 -1.478) 6.617 15.213 ( 1.176 4.314 -0.581) 4.509 15.348 ( 0.705 -4.132 1.283) 4.383 15.404 ( 3.920 -7.081 0.534) 8.111 15.549 ( 3.594 2.167 -0.367) 4.213 15.577 ( 2.999 -0.484 -0.091) 3.039 15.673 ( 1.005 1.631 -2.746) 3.348 15.707 ( 4.884 -1.805 -4.052) 6.597 15.753 ( -0.582 -0.180 4.679) 4.719 15.761 ( 0.145 -1.163 3.306) 3.508 15.803 ( -4.486 2.363 -4.757) 6.953 15.835 ( 1.133 -0.513 -3.217) 3.449 15.897 ( -0.569 1.149 -6.111) 6.244 15.933 ( 2.401 -1.985 -5.830) 6.610 16.048 ( 2.463 4.460 -3.426) 6.139 16.140 ( -1.231 -4.933 1.544) 5.314 16.253 ( -10.334 -0.072 3.651) 10.961 16.268 ( -6.674 -2.532 -0.296) 7.145 16.350 ( 0.785 0.820 5.406) 5.524 16.377 ( -0.994 -1.175 8.823) 8.957 16.556 ( -1.401 3.594 1.470) 4.128 16.592 ( -2.159 -0.159 2.156) 3.056 17.019 ( 6.076 13.016 -3.329) 14.745 17.256 ( -1.951 -10.519 -11.818) 15.942 18.349 ( 2.490 6.991 1.180) 7.514 18.477 ( -5.733 -4.870 -0.101) 7.523 18.590 ( -1.486 3.740 -2.487) 4.731 18.711 ( 3.375 -7.714 -2.680) 8.836 19.572 ( 2.977 1.129 -0.167) 3.189 19.595 ( 2.755 -0.937 -0.617) 2.975 19.713 ( 4.173 1.837 -2.688) 5.293 19.756 ( 1.765 -2.359 -4.325) 5.233 20.268 ( -29.873 0.016 6.282) 30.526 20.270 ( -28.810 -0.105 6.366) 29.505 20.528 ( -27.002 0.165 0.418) 27.006 20.531 ( -29.367 -0.147 0.919) 29.382 20.819 ( -23.417 0.139 2.671) 23.570 20.824 ( -24.543 -0.313 3.486) 24.792 21.066 ( -26.106 1.041 -1.051) 26.148 21.086 ( -25.563 -1.024 -1.076) 25.607 25.535 ( 13.295 0.052 2.122) 13.463 25.537 ( 13.476 -0.155 2.364) 13.682 26.011 ( 12.682 2.119 -8.044) 15.167 26.051 ( 9.365 -1.783 -8.812) 12.982 26.260 ( 0.004 2.046 3.416) 3.982 26.282 ( -0.947 0.875 4.051) 4.252 26.346 ( 4.040 -0.341 3.281) 5.215 26.360 ( 3.415 -0.574 3.125) 4.665 26.485 ( 8.148 -2.643 0.928) 8.616 26.519 ( 8.054 -4.525 0.041) 9.238 26.680 ( -4.089 0.787 -1.576) 4.452 26.697 ( -3.600 -1.027 -1.654) 4.093 27.045 ( -6.746 9.752 -0.858) 11.889 27.122 ( 4.647 6.363 -0.451) 7.892 27.162 ( 11.640 3.048 0.453) 12.041 27.273 ( -5.523 3.390 3.776) 7.500 27.353 ( -2.304 -5.865 -2.380) 6.736 27.465 ( 12.126 -2.938 -0.054) 12.477 27.475 ( 5.802 -1.959 1.137) 6.228 27.626 ( -5.996 -13.064 0.392) 14.380 28.089 ( 8.437 1.201 1.729) 8.696 28.112 ( 12.516 -1.155 1.885) 12.710 28.442 ( -9.621 15.448 -1.617) 18.271 28.637 ( -4.554 -3.490 -5.069) 7.656 28.723 ( -2.656 6.399 -4.841) 8.451 28.884 ( -11.982 -9.211 -4.783) 15.852 29.007 ( -6.064 -1.619 -13.577) 14.958 29.030 ( -12.508 -2.805 -7.046) 14.628 29.441 ( -10.339 2.572 5.245) 11.876 29.507 ( -11.555 -4.453 5.907) 13.720 29.664 ( -13.322 2.685 -0.107) 13.590 29.727 ( -13.042 -3.729 -0.690) 13.582 30.158 ( 1.347 5.838 4.334) 7.394 30.253 ( 0.715 -1.951 0.832) 2.239 30.315 ( -1.296 0.708 1.373) 2.017 30.355 ( -0.068 -3.101 2.406) 3.926 30.620 ( 1.048 7.004 1.693) 7.281 30.735 ( 1.194 1.097 1.646) 2.311 30.806 ( 0.846 -5.272 1.651) 5.589 30.835 ( 2.203 -5.717 2.886) 6.772 31.017 ( -3.273 13.789 -6.867) 15.748 31.147 ( -0.350 2.529 -1.582) 3.003 31.237 ( 6.583 3.500 -3.593) 8.276 31.333 ( 9.050 -5.125 -4.254) 11.236 31.516 ( -14.877 4.950 18.484) 24.238 31.754 ( -21.544 -20.031 6.424) 30.111 32.521 ( -23.354 14.662 -6.553) 28.343 32.727 ( -22.353 -7.689 -7.315) 24.744 ======================= Grid point 48 (23/48) ======================= q-point: ( 0.40 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 33.662 3.198 6.138) 34.366 2.777 ( 25.194 -12.905 2.231) 28.395 3.293 ( 7.777 9.876 1.996) 12.728 3.505 ( 9.196 -10.908 -0.205) 14.269 3.636 ( 3.295 22.215 -4.166) 22.841 3.881 ( -2.354 -2.767 5.033) 6.207 3.987 ( 2.871 -3.851 8.788) 10.015 4.036 ( 10.111 -8.400 -1.993) 13.295 4.226 ( -1.483 5.340 -0.730) 5.590 4.284 ( 2.971 0.371 -2.286) 3.767 4.545 ( 13.838 0.271 -0.554) 13.852 4.617 ( 15.243 -5.662 5.838) 17.277 4.699 ( 9.667 4.394 -3.382) 11.144 4.783 ( 0.323 -1.973 -4.619) 5.033 4.895 ( -1.881 4.267 2.035) 5.088 4.928 ( -4.653 0.058 1.839) 5.004 5.126 ( 2.122 4.624 -0.328) 5.098 5.165 ( 6.893 2.740 1.248) 7.522 5.198 ( -2.603 -4.832 0.621) 5.523 5.298 ( -3.878 5.071 -5.938) 8.718 5.378 ( 3.067 -4.927 -0.809) 5.859 5.399 ( -3.047 -4.260 -3.201) 6.138 5.522 ( -1.304 -3.029 1.143) 3.490 5.600 ( 0.508 -6.796 1.386) 6.955 5.715 ( 1.487 -1.386 -8.105) 8.356 5.778 ( 8.247 -3.290 -6.643) 11.089 5.980 ( -3.805 6.598 -0.723) 7.651 6.014 ( -7.561 5.880 -1.638) 9.717 6.054 ( 1.185 2.626 3.942) 4.882 6.136 ( 2.328 -1.939 4.634) 5.537 6.187 ( 5.018 -1.381 -4.885) 7.138 6.290 ( -0.019 -7.891 -6.911) 10.489 6.449 ( 3.426 2.459 4.268) 6.000 6.451 ( -4.065 3.742 8.762) 10.358 6.565 ( -1.631 7.107 3.518) 8.096 6.575 ( 1.482 1.635 -0.240) 2.220 6.680 ( -2.830 -1.697 -3.955) 5.150 6.696 ( 2.506 -3.388 2.066) 4.694 6.722 ( 5.437 2.328 4.233) 7.273 6.821 ( -0.971 -1.509 0.718) 1.933 6.885 ( 6.401 1.164 -0.227) 6.509 6.969 ( 7.519 -4.491 1.062) 8.822 6.976 ( 5.238 2.547 3.580) 6.836 7.057 ( -4.836 9.031 3.740) 10.906 7.098 ( 0.163 -6.680 4.125) 7.853 7.136 ( -1.224 4.023 -0.495) 4.234 7.226 ( -6.131 -6.261 2.540) 9.123 7.252 ( -3.574 -7.904 5.307) 10.169 7.372 ( -2.542 0.013 -2.149) 3.329 7.438 ( 0.284 -4.968 -0.158) 4.979 7.554 ( 3.253 7.393 -8.266) 11.557 7.611 ( -1.065 0.967 -4.677) 4.894 7.728 ( 0.282 4.271 7.511) 8.645 7.749 ( 5.888 4.915 0.308) 7.676 7.799 ( 1.786 5.962 4.439) 7.645 7.827 ( 5.241 3.195 1.018) 6.222 7.948 ( 8.933 -0.443 2.737) 9.353 8.019 ( -3.504 2.447 -4.803) 6.429 8.065 ( -0.005 -8.905 -1.904) 9.106 8.116 ( -0.447 -1.531 -1.060) 1.916 8.195 ( 14.606 4.648 6.339) 16.587 8.310 ( 15.419 -2.155 2.471) 15.764 8.342 ( 10.190 2.729 4.888) 11.626 8.394 ( 6.818 -0.299 2.981) 7.447 8.428 ( 5.295 4.458 2.251) 7.279 8.500 ( 0.048 -3.289 -0.577) 3.340 8.540 ( 4.981 -1.342 5.944) 7.870 8.607 ( 4.673 -10.606 3.305) 12.052 8.686 ( 1.202 -8.294 -0.333) 8.387 8.707 ( -2.019 -9.990 2.186) 10.424 8.783 ( 2.141 2.332 -3.881) 5.009 8.792 ( 4.957 0.913 -5.867) 7.735 8.992 ( -6.987 7.745 -0.751) 10.458 9.064 ( 10.791 1.959 -3.771) 11.598 9.084 ( -5.122 -0.008 -3.943) 6.464 9.190 ( 5.844 -6.116 -1.686) 8.625 9.334 ( 1.457 7.050 -0.410) 7.210 9.373 ( 4.908 11.378 -2.277) 12.599 9.461 ( -3.825 -2.121 -0.129) 4.376 9.512 ( 6.104 -0.159 1.194) 6.222 9.610 ( -10.988 2.257 -1.602) 11.331 9.682 ( -8.331 -6.549 1.315) 10.678 9.897 ( 4.498 1.822 -4.802) 6.827 9.963 ( -1.531 -0.463 -2.694) 3.133 10.004 ( 0.882 -2.786 -4.883) 5.691 10.046 ( 2.376 -2.162 -1.654) 3.613 10.080 ( -0.963 10.985 3.876) 11.688 10.139 ( -1.908 1.695 -4.976) 5.592 10.180 ( -2.479 1.044 -2.004) 3.354 10.244 ( -3.152 -4.036 0.679) 5.166 10.271 ( 11.390 -6.576 1.382) 13.224 10.327 ( 5.270 -13.500 -0.945) 14.523 10.419 ( 7.640 0.948 -0.215) 7.702 10.478 ( 5.156 -3.178 -3.516) 7.003 10.584 ( 6.929 9.169 0.977) 11.534 10.712 ( -1.320 5.573 -3.889) 6.923 10.727 ( 2.691 -2.914 -2.671) 4.782 10.793 ( -7.583 6.755 0.625) 10.175 10.807 ( 1.942 -1.823 -1.131) 2.893 10.863 ( 8.635 3.146 -1.498) 9.311 10.926 ( -4.321 -2.928 2.802) 5.924 10.944 ( 3.646 -3.253 1.863) 5.229 10.989 ( -1.947 6.346 -1.517) 6.810 11.040 ( -5.511 -4.044 2.996) 7.463 11.084 ( 6.820 -3.699 -1.974) 8.006 11.120 ( 0.933 -4.900 0.336) 5.000 11.291 ( 4.665 9.822 2.852) 11.242 11.409 ( 5.599 -1.510 -1.011) 5.886 11.559 ( 2.049 1.345 -4.406) 5.042 11.591 ( -2.480 1.560 -5.739) 6.444 11.655 ( -2.126 2.817 -2.560) 4.360 11.738 ( -6.606 -6.574 -1.837) 9.499 11.805 ( -4.309 0.920 -1.980) 4.831 11.864 ( -4.945 -0.071 0.666) 4.990 11.898 ( -2.565 -4.325 -4.679) 6.868 11.973 ( -2.703 -4.785 0.945) 5.577 12.066 ( -5.313 3.781 -4.943) 8.183 12.100 ( -6.990 0.940 -2.435) 7.462 12.197 ( -13.538 1.180 -1.003) 13.626 12.232 ( -10.380 -2.199 -3.362) 11.130 12.343 ( 2.145 11.168 2.296) 11.601 12.487 ( -6.677 9.858 4.025) 12.568 12.518 ( 5.765 3.200 -0.948) 6.661 12.574 ( 6.231 -11.100 3.361) 13.165 12.645 ( 2.726 -6.901 2.856) 7.950 12.690 ( -1.071 -6.259 4.406) 7.729 12.837 ( -10.394 2.346 2.893) 11.041 12.883 ( -3.749 0.261 -2.420) 4.470 12.982 ( 6.120 9.406 -2.452) 11.487 13.074 ( 4.473 6.692 0.604) 8.072 13.220 ( 2.169 4.106 -0.595) 4.682 13.268 ( 1.222 -3.866 -0.983) 4.172 13.299 ( 3.849 -9.255 -0.466) 10.035 13.434 ( -3.914 -3.642 1.890) 5.671 13.458 ( -3.225 -7.583 1.234) 8.332 13.543 ( -2.225 -8.094 -0.954) 8.449 13.732 ( 7.776 8.066 2.169) 11.412 13.840 ( 6.611 -1.707 -0.834) 6.878 13.942 ( 3.707 9.434 -9.239) 13.715 14.030 ( 2.689 0.999 -11.149) 11.513 14.204 ( 2.604 3.875 4.297) 6.345 14.236 ( 1.605 -1.924 2.069) 3.250 14.335 ( 2.572 1.231 -0.002) 2.852 14.404 ( 3.657 -2.444 9.475) 10.446 14.464 ( 5.251 -0.637 0.879) 5.362 14.518 ( 5.707 -2.890 1.886) 6.669 14.578 ( 3.619 -0.286 5.741) 6.792 14.660 ( 3.385 -4.692 6.845) 8.962 14.794 ( 8.258 5.716 1.676) 10.183 14.898 ( 4.992 -5.273 0.440) 7.274 14.938 ( 1.063 6.202 2.805) 6.889 15.039 ( -2.161 -4.128 0.531) 4.689 15.206 ( 1.712 4.931 -1.698) 5.489 15.225 ( 0.570 2.700 -0.367) 2.784 15.347 ( -0.252 -0.830 0.528) 1.015 15.413 ( -4.303 -5.531 -1.180) 7.106 15.477 ( -6.718 0.397 1.376) 6.868 15.507 ( -7.393 -1.673 1.603) 7.748 15.565 ( -6.448 0.315 3.891) 7.538 15.574 ( -6.599 -0.318 3.065) 7.283 15.710 ( -2.461 5.088 -2.303) 6.103 15.783 ( -2.517 -3.015 -2.385) 4.595 15.853 ( 0.238 1.265 0.551) 1.400 15.875 ( -1.597 -1.152 0.386) 2.007 15.965 ( 0.068 1.469 -1.033) 1.797 15.978 ( 6.261 -0.180 -1.537) 6.449 16.056 ( -1.172 6.298 -2.991) 7.070 16.102 ( 4.089 3.261 0.560) 5.260 16.180 ( 1.443 -5.769 -1.535) 6.141 16.201 ( -1.821 -6.111 -0.539) 6.400 16.330 ( -2.971 0.372 8.748) 9.246 16.360 ( -2.476 -3.426 5.990) 7.331 16.619 ( 10.107 6.082 -2.949) 12.158 16.698 ( 11.298 -1.889 -6.295) 13.070 17.060 ( -3.817 5.997 -5.268) 8.848 17.174 ( -7.551 -5.276 -9.181) 13.006 18.525 ( 15.701 -0.267 3.932) 16.188 18.530 ( 15.495 -0.695 3.998) 16.017 18.773 ( 19.770 8.006 0.110) 21.330 18.924 ( 17.883 -7.221 -1.951) 19.384 19.623 ( -31.778 1.608 4.694) 32.163 19.655 ( -30.561 -1.601 4.509) 30.933 19.697 ( 8.603 0.449 0.309) 8.620 19.716 ( 7.910 -1.457 0.066) 8.043 19.862 ( 8.873 0.305 -1.737) 9.047 19.867 ( 5.869 -0.055 -2.206) 6.270 19.917 ( -30.929 2.466 1.191) 31.050 19.960 ( -30.610 -1.857 -0.191) 30.667 20.353 ( -23.104 0.406 2.582) 23.252 20.366 ( -22.811 -0.967 1.557) 22.884 20.558 ( -25.346 1.558 -1.306) 25.428 20.586 ( -25.222 -1.236 -1.267) 25.284 25.780 ( 11.838 0.175 2.351) 12.071 25.785 ( 11.930 -0.299 2.520) 12.197 26.105 ( -3.294 0.203 -0.013) 3.300 26.110 ( -2.780 -0.248 -0.267) 2.804 26.305 ( 5.572 1.371 -2.445) 6.237 26.326 ( 4.963 0.139 -3.134) 5.871 26.409 ( 2.936 2.506 0.867) 3.957 26.449 ( 2.428 0.264 -1.057) 2.662 26.584 ( -0.460 0.503 -1.132) 1.321 26.619 ( 1.442 -1.070 -0.314) 1.823 26.677 ( 9.238 -1.566 -1.133) 9.438 26.744 ( 6.052 -4.068 -2.209) 7.620 26.874 ( -5.223 6.207 3.060) 8.670 26.995 ( -11.160 4.201 1.293) 11.995 27.166 ( -11.367 -6.097 -0.781) 12.923 27.336 ( -11.534 -13.931 -2.655) 18.280 27.424 ( 14.436 5.873 2.866) 15.846 27.470 ( 11.869 1.882 2.597) 12.294 27.713 ( 14.037 1.285 -1.028) 14.133 27.794 ( 16.676 -5.517 -1.980) 17.676 28.041 ( -12.186 8.845 1.686) 15.152 28.126 ( -16.169 7.219 1.159) 17.745 28.235 ( -6.176 3.883 0.192) 7.298 28.476 ( -14.451 -13.729 -1.826) 20.016 28.797 ( 8.107 3.958 -1.691) 9.179 28.830 ( 10.390 1.897 -3.202) 11.037 28.926 ( 3.989 0.813 -4.428) 6.015 29.007 ( 3.621 -5.502 -8.105) 10.444 29.242 ( -10.206 1.878 2.548) 10.686 29.294 ( -10.344 -3.356 2.708) 11.207 29.381 ( -15.751 2.845 -0.618) 16.018 29.443 ( -15.900 -3.445 -1.184) 16.312 30.189 ( 1.835 6.161 3.463) 7.302 30.256 ( -0.839 3.321 0.922) 3.547 30.301 ( 0.283 -1.210 2.180) 2.510 30.344 ( -1.021 -2.491 2.200) 3.477 30.661 ( 2.779 2.465 1.124) 3.881 30.742 ( -0.487 2.592 0.778) 2.749 30.802 ( 0.062 -6.089 -1.065) 6.181 30.875 ( 0.292 -5.149 2.504) 5.733 30.997 ( 2.060 9.220 -0.085) 9.448 31.124 ( -0.458 -0.354 1.047) 1.196 31.280 ( -8.891 -1.494 9.622) 13.185 31.393 ( -8.446 -10.316 2.616) 13.586 31.448 ( 8.266 6.062 -2.061) 10.456 31.590 ( 14.352 -5.952 -4.208) 16.097 32.093 ( -20.720 14.412 -5.748) 25.885 32.302 ( -21.337 -8.005 -6.601) 23.726 ======================= Grid point 49 (24/48) ======================= q-point: (-0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.192 ( -16.879 2.069 2.681) 17.215 3.192 ( 16.879 2.069 2.681) 17.215 3.267 ( -28.263 -4.918 3.195) 28.865 3.267 ( 28.263 -4.918 3.195) 28.865 3.782 ( -12.360 7.711 -3.694) 15.029 3.782 ( 12.360 7.711 -3.694) 15.029 3.915 ( -11.727 -5.249 -5.686) 14.050 3.915 ( 11.727 -5.249 -5.686) 14.050 4.564 ( -20.105 3.603 4.318) 20.877 4.564 ( 20.105 3.603 4.318) 20.877 4.603 ( -15.883 1.508 2.131) 16.096 4.603 ( 15.883 1.508 2.131) 16.096 4.818 ( -6.633 -2.651 1.128) 7.232 4.818 ( 6.633 -2.651 1.128) 7.232 4.864 ( -1.308 -6.156 0.577) 6.319 4.864 ( 1.308 -6.156 0.577) 6.319 5.106 ( -7.360 7.631 -1.607) 10.723 5.106 ( 7.360 7.631 -1.607) 10.723 5.241 ( -9.661 -0.341 1.755) 9.825 5.241 ( 9.661 -0.341 1.755) 9.825 5.430 ( -2.753 -0.492 -1.921) 3.393 5.430 ( 2.753 -0.492 -1.921) 3.393 5.572 ( -3.933 -10.364 1.855) 11.239 5.572 ( 3.933 -10.364 1.855) 11.239 5.748 ( -9.158 12.446 -9.557) 18.169 5.748 ( 9.158 12.446 -9.557) 18.169 5.977 ( -9.519 -6.515 -8.181) 14.142 5.977 ( 9.519 -6.516 -8.181) 14.142 6.120 ( -5.310 2.376 6.219) 8.515 6.120 ( 5.310 2.376 6.219) 8.515 6.211 ( -3.509 -3.142 5.203) 7.018 6.211 ( 3.509 -3.142 5.203) 7.018 6.437 ( -6.962 5.298 -0.568) 8.767 6.437 ( 6.962 5.298 -0.568) 8.767 6.605 ( -5.798 -5.988 2.637) 8.742 6.605 ( 5.798 -5.988 2.637) 8.742 6.712 ( -2.623 1.165 1.947) 3.468 6.712 ( 2.623 1.165 1.947) 3.468 6.757 ( -1.542 -2.923 3.653) 4.927 6.757 ( 1.542 -2.923 3.653) 4.927 6.913 ( -2.913 8.062 6.717) 10.890 6.913 ( 2.913 8.062 6.717) 10.890 7.024 ( -2.393 2.721 -5.043) 6.210 7.024 ( 2.393 2.721 -5.043) 6.210 7.141 ( -6.375 -0.732 -0.860) 6.474 7.141 ( 6.375 -0.732 -0.860) 6.474 7.230 ( -3.640 -11.627 7.959) 14.552 7.230 ( 3.640 -11.627 7.959) 14.553 7.418 ( -9.412 5.431 -5.244) 12.066 7.418 ( 9.412 5.432 -5.244) 12.066 7.518 ( -7.530 -4.229 -10.287) 13.432 7.518 ( 7.530 -4.229 -10.287) 13.432 7.756 ( -3.031 9.921 3.970) 11.107 7.756 ( 3.031 9.921 3.970) 11.107 7.850 ( -3.372 4.314 2.470) 6.007 7.850 ( 3.372 4.314 2.470) 6.007 7.982 ( -2.885 2.588 0.682) 3.935 7.982 ( 2.885 2.588 0.682) 3.935 8.132 ( -1.376 -8.343 -0.271) 8.460 8.132 ( 1.376 -8.343 -0.271) 8.460 8.335 ( -4.955 4.630 3.965) 7.856 8.335 ( 4.955 4.630 3.965) 7.856 8.394 ( -3.516 -0.018 5.973) 6.931 8.394 ( 3.516 -0.018 5.973) 6.931 8.546 ( -2.618 -1.473 4.074) 5.062 8.546 ( 2.618 -1.473 4.074) 5.062 8.634 ( -1.501 -9.101 2.955) 9.685 8.634 ( 1.501 -9.101 2.955) 9.685 8.796 ( -4.500 1.234 -4.254) 6.314 8.796 ( 4.500 1.234 -4.254) 6.314 8.854 ( -6.259 -4.418 -3.313) 8.347 8.854 ( 6.259 -4.418 -3.313) 8.347 9.092 ( -19.166 3.977 -2.978) 19.799 9.092 ( 19.166 3.977 -2.978) 19.799 9.159 ( -20.353 -2.357 -3.200) 20.738 9.159 ( 20.353 -2.357 -3.200) 20.738 9.337 ( -10.389 8.004 -2.136) 13.288 9.337 ( 10.389 8.004 -2.136) 13.288 9.487 ( -11.718 -8.394 -1.382) 14.480 9.487 ( 11.718 -8.394 -1.382) 14.480 9.648 ( -15.214 6.083 -1.406) 16.445 9.648 ( 15.214 6.083 -1.406) 16.445 9.751 ( -5.340 -1.489 1.811) 5.832 9.751 ( 5.340 -1.489 1.811) 5.832 10.038 ( -4.743 2.113 2.074) 5.591 10.038 ( 4.743 2.113 2.074) 5.591 10.093 ( -5.405 -2.917 0.354) 6.152 10.093 ( 5.405 -2.917 0.354) 6.152 10.313 ( -11.448 3.992 0.698) 12.144 10.313 ( 11.448 3.992 0.698) 12.144 10.396 ( -9.320 0.303 -0.346) 9.332 10.396 ( 9.320 0.303 -0.346) 9.332 10.494 ( -12.035 -2.505 0.416) 12.300 10.494 ( 12.035 -2.505 0.416) 12.300 10.604 ( -11.134 -7.345 2.098) 13.503 10.604 ( 11.134 -7.345 2.098) 13.503 10.707 ( -6.110 6.679 -0.106) 9.053 10.707 ( 6.110 6.679 -0.106) 9.053 10.812 ( -8.027 -2.966 -3.672) 9.312 10.812 ( 8.027 -2.966 -3.672) 9.312 10.991 ( -3.080 2.012 -0.744) 3.753 10.991 ( 3.080 2.012 -0.744) 3.753 11.042 ( -7.319 -1.321 -2.288) 7.782 11.042 ( 7.319 -1.321 -2.288) 7.782 11.274 ( -17.094 6.916 -2.332) 18.587 11.274 ( 17.094 6.916 -2.332) 18.587 11.424 ( -9.828 -2.228 -2.005) 10.275 11.424 ( 9.828 -2.228 -2.005) 10.275 11.468 ( -3.561 0.436 -2.565) 4.410 11.468 ( 3.561 0.436 -2.565) 4.410 11.612 ( -9.276 -8.961 -5.109) 13.873 11.612 ( 9.276 -8.961 -5.109) 13.873 11.837 ( -5.165 3.433 -4.310) 7.552 11.837 ( 5.165 3.433 -4.310) 7.552 11.880 ( -5.769 -0.017 -1.802) 6.044 11.880 ( 5.769 -0.017 -1.802) 6.044 12.014 ( -2.496 3.774 0.073) 4.526 12.014 ( 2.496 3.774 0.073) 4.526 12.089 ( -4.855 -2.573 -2.964) 6.243 12.089 ( 4.855 -2.573 -2.964) 6.243 12.391 ( -3.446 13.098 3.589) 14.012 12.391 ( 3.446 13.098 3.589) 14.012 12.626 ( -2.632 -6.087 0.584) 6.657 12.626 ( 2.632 -6.087 0.584) 6.657 12.666 ( -3.153 -3.015 3.878) 5.837 12.666 ( 3.153 -3.015 3.878) 5.837 12.753 ( -6.606 -7.654 1.330) 10.198 12.753 ( 6.606 -7.654 1.330) 10.198 13.130 ( -4.459 11.426 -0.376) 12.271 13.130 ( 4.459 11.426 -0.376) 12.271 13.216 ( -6.965 7.926 0.532) 10.565 13.216 ( 6.965 7.926 0.532) 10.565 13.374 ( -3.068 -8.107 0.494) 8.682 13.374 ( 3.068 -8.107 0.494) 8.682 13.479 ( -4.108 -13.700 -1.825) 14.418 13.479 ( 4.108 -13.700 -1.825) 14.418 13.909 ( -8.385 7.287 -4.354) 11.932 13.909 ( 8.385 7.287 -4.354) 11.932 13.998 ( -6.147 1.242 -7.150) 9.511 13.998 ( 6.147 1.242 -7.150) 9.511 14.235 ( -1.156 5.044 5.241) 7.365 14.235 ( 1.156 5.044 5.241) 7.365 14.392 ( -4.321 -7.096 3.491) 9.011 14.392 ( 4.321 -7.096 3.491) 9.011 14.534 ( -2.627 4.735 1.367) 5.584 14.534 ( 2.627 4.735 1.367) 5.584 14.659 ( -3.432 -7.312 4.826) 9.409 14.659 ( 3.432 -7.312 4.826) 9.409 14.922 ( -3.325 4.639 3.321) 6.604 14.922 ( 3.325 4.639 3.321) 6.604 14.971 ( -3.677 -0.665 0.723) 3.806 14.971 ( 3.677 -0.665 0.723) 3.806 15.273 ( -6.230 0.679 -0.869) 6.327 15.273 ( 6.230 0.679 -0.869) 6.327 15.297 ( -5.820 -0.870 -1.361) 6.040 15.297 ( 5.820 -0.870 -1.361) 6.040 15.435 ( -2.529 1.849 5.345) 6.196 15.435 ( 2.529 1.849 5.345) 6.196 15.481 ( -0.833 -2.795 2.845) 4.075 15.481 ( 0.833 -2.795 2.845) 4.075 15.756 ( -6.010 2.563 0.203) 6.537 15.756 ( 6.010 2.563 0.203) 6.537 15.802 ( -4.002 -2.461 -0.052) 4.698 15.802 ( 4.002 -2.461 -0.052) 4.698 15.993 ( -2.975 6.150 -3.094) 7.499 15.993 ( 2.975 6.150 -3.094) 7.499 16.105 ( -5.798 -4.846 -3.285) 8.239 16.105 ( 5.798 -4.846 -3.285) 8.239 16.242 ( -5.054 0.867 5.188) 7.294 16.242 ( 5.054 0.867 5.188) 7.294 16.276 ( -5.010 -2.973 3.334) 6.713 16.276 ( 5.010 -2.973 3.334) 6.713 16.867 ( -11.458 5.788 -5.724) 14.055 16.867 ( 11.458 5.788 -5.724) 14.055 16.966 ( -11.739 -4.245 -6.928) 14.276 16.966 ( 11.739 -4.245 -6.928) 14.276 18.979 ( -30.905 1.620 5.398) 31.415 18.979 ( 30.905 1.620 5.398) 31.415 19.023 ( -31.328 -3.021 4.838) 31.843 19.023 ( 31.328 -3.021 4.838) 31.843 19.279 ( -30.840 5.755 0.712) 31.380 19.279 ( 30.840 5.755 0.712) 31.380 19.376 ( -27.944 -4.181 -1.191) 28.280 19.376 ( 27.944 -4.181 -1.191) 28.280 19.959 ( -17.252 0.387 1.189) 17.297 19.959 ( 17.252 0.387 1.189) 17.297 19.974 ( -17.150 -1.135 0.523) 17.196 19.974 ( 17.150 -1.135 0.523) 17.196 20.129 ( -18.317 1.340 -1.693) 18.443 20.129 ( 18.317 1.340 -1.693) 18.443 20.151 ( -19.142 -0.891 -1.662) 19.234 20.151 ( 19.142 -0.891 -1.662) 19.234 25.981 ( -8.480 0.230 2.108) 8.741 25.981 ( 8.480 0.230 2.108) 8.741 25.987 ( -8.516 -0.377 2.203) 8.805 25.987 ( 8.516 -0.377 2.203) 8.805 26.408 ( -1.557 0.947 -3.525) 3.968 26.408 ( 1.557 0.947 -3.525) 3.968 26.413 ( -2.307 0.480 -3.480) 4.203 26.413 ( 2.307 0.480 -3.480) 4.203 26.646 ( -7.284 5.600 0.637) 9.209 26.646 ( 7.284 5.600 0.637) 9.209 26.737 ( -7.979 0.319 -0.782) 8.024 26.737 ( 7.979 0.319 -0.782) 8.024 26.939 ( -10.081 -3.204 1.517) 10.686 26.939 ( 10.081 -3.204 1.517) 10.686 27.052 ( -14.737 -10.783 -0.171) 18.261 27.052 ( 14.737 -10.783 -0.171) 18.261 27.727 ( -15.999 8.073 1.204) 17.960 27.727 ( 15.999 8.073 1.204) 17.960 27.774 ( -16.408 5.885 0.395) 17.436 27.774 ( 16.408 5.885 0.395) 17.436 28.014 ( -13.790 1.705 -0.193) 13.897 28.014 ( 13.790 1.705 -0.193) 13.897 28.150 ( -17.715 -9.346 -2.009) 20.130 28.150 ( 17.715 -9.346 -2.009) 20.130 29.036 ( -9.341 3.190 -0.754) 9.900 29.036 ( 9.341 3.190 -0.754) 9.900 29.062 ( -14.682 2.597 -1.025) 14.945 29.062 ( 14.682 2.597 -1.025) 14.945 29.123 ( -7.889 -3.445 -1.393) 8.720 29.123 ( 7.889 -3.445 -1.393) 8.720 29.139 ( -12.697 -3.032 -1.345) 13.123 29.139 ( 12.697 -3.032 -1.345) 13.123 30.226 ( -1.896 5.841 2.327) 6.567 30.226 ( 1.896 5.841 2.327) 6.567 30.320 ( -1.332 -2.113 2.062) 3.239 30.320 ( 1.332 -2.113 2.062) 3.239 30.711 ( -2.329 2.597 0.535) 3.529 30.711 ( 2.329 2.597 0.535) 3.529 30.839 ( -3.101 -6.465 -1.239) 7.276 30.839 ( 3.101 -6.465 -1.239) 7.276 31.083 ( -5.577 5.200 6.879) 10.269 31.083 ( 5.577 5.200 6.879) 10.269 31.221 ( -4.952 -9.010 2.402) 10.558 31.221 ( 4.952 -9.010 2.402) 10.558 31.729 ( -16.965 12.538 -4.872) 21.651 31.729 ( 16.965 12.538 -4.872) 21.651 31.915 ( -18.611 -7.329 -5.588) 20.768 31.915 ( 18.611 -7.329 -5.588) 20.768 ======================= Grid point 66 (25/48) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 0.000 0.000 46.506) 46.506 1.881 ( 0.000 0.000 45.328) 45.328 2.669 ( 0.000 0.000 51.845) 51.845 2.776 ( 0.000 0.000 10.155) 10.155 2.914 ( 0.000 0.000 10.919) 10.919 3.057 ( 0.000 0.000 21.897) 21.897 3.074 ( 0.000 0.000 26.570) 26.570 3.208 ( 0.000 0.000 -17.541) 17.541 3.490 ( 0.000 0.000 -12.906) 12.906 3.749 ( 0.000 0.000 -8.955) 8.955 3.778 ( 0.000 0.000 -12.271) 12.271 3.792 ( 0.000 0.000 -4.574) 4.574 3.868 ( 0.000 0.000 -14.394) 14.394 4.160 ( 0.000 0.000 5.273) 5.273 4.328 ( 0.000 0.000 -4.851) 4.851 4.473 ( 0.000 0.000 -6.437) 6.437 4.498 ( 0.000 0.000 -4.856) 4.856 4.533 ( 0.000 0.000 -2.127) 2.127 4.744 ( 0.000 0.000 -5.117) 5.117 4.744 ( 0.000 0.000 5.792) 5.792 4.793 ( 0.000 0.000 -4.036) 4.036 4.952 ( 0.000 0.000 21.407) 21.407 5.084 ( 0.000 0.000 -7.589) 7.589 5.330 ( 0.000 0.000 5.956) 5.956 5.389 ( 0.000 0.000 13.172) 13.172 5.454 ( 0.000 0.000 -5.879) 5.879 5.483 ( 0.000 0.000 10.755) 10.755 5.603 ( 0.000 0.000 -3.294) 3.294 5.859 ( 0.000 0.000 -4.892) 4.892 5.902 ( 0.000 0.000 1.717) 1.717 5.909 ( 0.000 0.000 -11.764) 11.764 5.939 ( 0.000 0.000 -11.659) 11.659 6.085 ( 0.000 0.000 -13.023) 13.023 6.110 ( 0.000 0.000 15.813) 15.813 6.114 ( 0.000 0.000 -3.839) 3.839 6.253 ( 0.000 0.000 -0.560) 0.560 6.337 ( 0.000 0.000 14.709) 14.709 6.346 ( 0.000 0.000 -6.276) 6.276 6.406 ( 0.000 0.000 5.475) 5.475 6.422 ( 0.000 0.000 -12.374) 12.374 6.459 ( 0.000 0.000 -6.124) 6.124 6.736 ( 0.000 0.000 10.339) 10.339 6.753 ( 0.000 0.000 -1.954) 1.954 6.779 ( 0.000 0.000 2.006) 2.006 6.976 ( 0.000 0.000 9.620) 9.620 6.986 ( 0.000 0.000 -6.631) 6.631 6.989 ( 0.000 0.000 -4.545) 4.545 6.993 ( 0.000 0.000 12.086) 12.086 7.145 ( 0.000 0.000 -12.852) 12.852 7.227 ( 0.000 0.000 -11.055) 11.055 7.304 ( 0.000 0.000 15.549) 15.549 7.356 ( 0.000 0.000 -1.007) 1.007 7.468 ( 0.000 0.000 1.998) 1.998 7.519 ( 0.000 0.000 6.756) 6.756 7.711 ( 0.000 0.000 -16.542) 16.542 7.813 ( 0.000 0.000 -7.210) 7.210 7.894 ( 0.000 0.000 -17.659) 17.659 7.926 ( 0.000 0.000 -13.556) 13.556 7.980 ( 0.000 0.000 -16.839) 16.839 8.147 ( 0.000 0.000 2.679) 2.679 8.175 ( 0.000 0.000 -4.037) 4.037 8.271 ( 0.000 0.000 -11.449) 11.449 8.333 ( 0.000 0.000 -12.237) 12.237 8.403 ( 0.000 0.000 -4.577) 4.577 8.533 ( 0.000 0.000 -4.195) 4.195 8.542 ( 0.000 0.000 -1.786) 1.786 8.760 ( 0.000 0.000 5.388) 5.388 8.774 ( 0.000 0.000 8.888) 8.888 8.890 ( 0.000 0.000 2.579) 2.579 8.945 ( 0.000 0.000 1.534) 1.534 9.129 ( 0.000 0.000 8.966) 8.966 9.134 ( 0.000 0.000 6.585) 6.585 9.184 ( 0.000 0.000 17.273) 17.273 9.224 ( 0.000 0.000 0.304) 0.304 9.359 ( 0.000 0.000 -6.282) 6.282 9.363 ( 0.000 0.000 3.896) 3.896 9.526 ( 0.000 0.000 -0.668) 0.668 9.526 ( 0.000 0.000 12.998) 12.998 9.675 ( 0.000 0.000 -1.361) 1.361 9.684 ( 0.000 0.000 0.190) 0.190 9.704 ( 0.000 0.000 13.487) 13.487 9.762 ( 0.000 0.000 8.561) 8.561 9.776 ( 0.000 0.000 4.571) 4.571 9.933 ( 0.000 0.000 -0.230) 0.230 10.031 ( 0.000 0.000 1.127) 1.127 10.064 ( 0.000 0.000 -6.020) 6.020 10.109 ( 0.000 0.000 -1.029) 1.029 10.161 ( 0.000 0.000 -3.509) 3.509 10.197 ( 0.000 0.000 -1.109) 1.109 10.273 ( 0.000 0.000 -0.692) 0.692 10.293 ( 0.000 0.000 4.258) 4.258 10.343 ( 0.000 0.000 -0.532) 0.532 10.419 ( 0.000 0.000 -6.093) 6.093 10.504 ( 0.000 0.000 -9.680) 9.680 10.556 ( 0.000 0.000 3.450) 3.450 10.609 ( 0.000 0.000 5.540) 5.540 10.670 ( 0.000 0.000 9.431) 9.431 10.675 ( 0.000 0.000 6.145) 6.145 10.921 ( 0.000 0.000 -6.146) 6.146 10.931 ( 0.000 0.000 7.256) 7.256 10.958 ( 0.000 0.000 -10.367) 10.367 11.042 ( 0.000 0.000 -2.779) 2.779 11.113 ( 0.000 0.000 -15.327) 15.327 11.161 ( 0.000 0.000 -0.107) 0.107 11.187 ( 0.000 0.000 -3.137) 3.137 11.297 ( 0.000 0.000 -7.660) 7.660 11.320 ( 0.000 0.000 4.868) 4.868 11.415 ( 0.000 0.000 -10.723) 10.723 11.418 ( 0.000 0.000 -6.168) 6.168 11.478 ( 0.000 0.000 -0.477) 0.477 11.568 ( 0.000 0.000 -3.118) 3.118 11.606 ( 0.000 0.000 -2.729) 2.729 11.732 ( 0.000 0.000 -6.437) 6.437 11.798 ( 0.000 0.000 5.364) 5.364 11.875 ( 0.000 0.000 -5.140) 5.140 11.905 ( 0.000 0.000 9.340) 9.340 12.016 ( 0.000 0.000 -0.889) 0.889 12.119 ( 0.000 0.000 -6.385) 6.385 12.181 ( 0.000 0.000 -4.403) 4.403 12.222 ( 0.000 0.000 -4.873) 4.873 12.244 ( 0.000 0.000 1.510) 1.510 12.364 ( 0.000 0.000 -4.352) 4.352 12.444 ( 0.000 0.000 4.064) 4.064 12.608 ( 0.000 0.000 -1.999) 1.999 12.641 ( 0.000 0.000 3.704) 3.704 12.769 ( 0.000 0.000 1.921) 1.921 12.778 ( 0.000 0.000 -0.475) 0.475 12.826 ( 0.000 0.000 -4.848) 4.848 13.026 ( 0.000 0.000 3.454) 3.454 13.141 ( 0.000 0.000 -3.360) 3.360 13.213 ( 0.000 0.000 5.246) 5.246 13.277 ( 0.000 0.000 5.291) 5.291 13.325 ( 0.000 0.000 -1.265) 1.265 13.441 ( 0.000 0.000 -4.668) 4.668 13.482 ( 0.000 0.000 7.270) 7.270 13.498 ( 0.000 0.000 0.719) 0.719 13.576 ( 0.000 0.000 -0.582) 0.582 13.707 ( 0.000 0.000 -2.921) 2.921 13.868 ( 0.000 0.000 12.205) 12.205 13.901 ( 0.000 0.000 5.576) 5.576 13.988 ( 0.000 0.000 4.924) 4.924 14.000 ( 0.000 0.000 2.128) 2.128 14.087 ( 0.000 0.000 0.785) 0.785 14.140 ( 0.000 0.000 -5.292) 5.292 14.170 ( 0.000 0.000 -7.097) 7.097 14.223 ( 0.000 0.000 12.068) 12.068 14.245 ( 0.000 0.000 4.588) 4.588 14.252 ( 0.000 0.000 -4.273) 4.273 14.520 ( 0.000 0.000 -1.673) 1.673 14.587 ( 0.000 0.000 -12.612) 12.612 14.660 ( 0.000 0.000 -2.416) 2.416 14.789 ( 0.000 0.000 -10.612) 10.612 14.962 ( 0.000 0.000 12.213) 12.213 15.149 ( 0.000 0.000 5.535) 5.535 15.152 ( 0.000 0.000 -3.443) 3.443 15.281 ( 0.000 0.000 -0.965) 0.965 15.373 ( 0.000 0.000 0.810) 0.810 15.405 ( 0.000 0.000 2.222) 2.222 15.428 ( 0.000 0.000 7.453) 7.453 15.436 ( 0.000 0.000 1.740) 1.740 15.456 ( 0.000 0.000 -0.322) 0.322 15.642 ( 0.000 0.000 -2.147) 2.147 15.721 ( 0.000 0.000 -8.120) 8.120 15.781 ( 0.000 0.000 -4.231) 4.231 15.838 ( 0.000 0.000 4.086) 4.086 15.856 ( 0.000 0.000 2.097) 2.097 15.958 ( 0.000 0.000 1.452) 1.452 15.995 ( 0.000 0.000 -4.178) 4.178 16.426 ( 0.000 0.000 11.009) 11.009 16.525 ( 0.000 0.000 3.572) 3.572 16.551 ( 0.000 0.000 2.277) 2.277 16.686 ( 0.000 0.000 -1.175) 1.175 16.858 ( 0.000 0.000 6.328) 6.328 17.010 ( 0.000 0.000 -2.644) 2.644 17.014 ( 0.000 0.000 13.029) 13.029 17.142 ( 0.000 0.000 3.593) 3.593 18.624 ( 0.000 0.000 -9.039) 9.039 18.707 ( 0.000 0.000 -9.449) 9.449 18.724 ( 0.000 0.000 4.154) 4.154 18.988 ( 0.000 0.000 -7.824) 7.824 19.579 ( 0.000 0.000 0.518) 0.518 19.658 ( 0.000 0.000 0.195) 0.195 19.663 ( 0.000 0.000 -4.415) 4.415 19.769 ( 0.000 0.000 -6.070) 6.070 21.294 ( 0.000 0.000 5.537) 5.537 21.322 ( 0.000 0.000 2.896) 2.896 21.386 ( 0.000 0.000 0.694) 0.694 21.444 ( 0.000 0.000 -2.525) 2.525 21.656 ( 0.000 0.000 6.591) 6.591 21.778 ( 0.000 0.000 1.699) 1.699 21.866 ( 0.000 0.000 -3.892) 3.892 21.871 ( 0.000 0.000 -2.357) 2.357 24.993 ( 0.000 0.000 0.177) 0.177 24.993 ( 0.000 0.000 0.125) 0.125 25.000 ( 0.000 0.000 -0.224) 0.224 25.001 ( 0.000 0.000 -0.224) 0.224 26.229 ( 0.000 0.000 4.763) 4.763 26.275 ( 0.000 0.000 0.389) 0.389 26.285 ( 0.000 0.000 -0.336) 0.336 26.362 ( 0.000 0.000 0.742) 0.742 26.516 ( 0.000 0.000 10.422) 10.422 26.607 ( 0.000 0.000 -1.584) 1.584 26.699 ( 0.000 0.000 -3.269) 3.269 26.747 ( 0.000 0.000 1.540) 1.540 26.772 ( 0.000 0.000 2.069) 2.069 26.887 ( 0.000 0.000 -5.640) 5.640 27.162 ( 0.000 0.000 0.520) 0.520 27.192 ( 0.000 0.000 -0.968) 0.968 27.306 ( 0.000 0.000 2.482) 2.482 27.318 ( 0.000 0.000 1.563) 1.563 27.362 ( 0.000 0.000 -0.550) 0.550 27.384 ( 0.000 0.000 -1.482) 1.482 27.435 ( 0.000 0.000 0.413) 0.413 27.439 ( 0.000 0.000 0.080) 0.080 28.153 ( 0.000 0.000 4.054) 4.054 28.359 ( 0.000 0.000 -6.172) 6.172 29.081 ( 0.000 0.000 -0.421) 0.421 29.326 ( 0.000 0.000 -12.184) 12.184 29.494 ( 0.000 0.000 0.582) 0.582 29.503 ( 0.000 0.000 -0.596) 0.596 30.015 ( 0.000 0.000 8.206) 8.206 30.064 ( 0.000 0.000 2.384) 2.384 30.070 ( 0.000 0.000 0.417) 0.417 30.179 ( 0.000 0.000 -0.285) 0.285 30.227 ( 0.000 0.000 8.599) 8.599 30.290 ( 0.000 0.000 1.156) 1.156 30.323 ( 0.000 0.000 0.380) 0.380 30.587 ( 0.000 0.000 7.285) 7.285 30.616 ( 0.000 0.000 -7.783) 7.783 30.684 ( 0.000 0.000 2.406) 2.406 30.700 ( 0.000 0.000 3.171) 3.171 30.707 ( 0.000 0.000 6.127) 6.127 30.746 ( 0.000 0.000 -4.363) 4.363 31.020 ( 0.000 0.000 -6.204) 6.204 31.267 ( 0.000 0.000 1.925) 1.925 31.325 ( 0.000 0.000 -1.597) 1.597 32.997 ( 0.000 0.000 0.106) 0.106 33.211 ( 0.000 0.000 -10.739) 10.739 33.340 ( 0.000 0.000 -0.664) 0.664 33.455 ( 0.000 0.000 -6.277) 6.277 ======================= Grid point 67 (26/48) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 3.055 0.000 43.912) 44.018 2.217 ( 29.367 0.000 39.875) 49.522 2.636 ( -11.312 0.000 6.109) 12.856 2.650 ( -7.034 0.000 5.242) 8.772 2.792 ( 5.475 0.000 46.644) 46.964 3.202 ( 14.496 0.000 20.502) 25.109 3.292 ( 17.313 0.000 6.233) 18.401 3.449 ( 0.146 0.000 9.998) 9.999 3.534 ( 26.781 0.000 -18.219) 32.391 3.789 ( 7.077 0.000 0.470) 7.093 3.835 ( 9.011 0.000 -10.526) 13.856 4.152 ( 22.958 0.000 -13.153) 26.459 4.184 ( 17.442 0.000 -16.770) 24.197 4.413 ( 19.591 0.000 -0.344) 19.594 4.526 ( 14.808 0.000 -5.995) 15.975 4.538 ( 1.916 0.000 -5.021) 5.374 4.587 ( 15.607 0.000 -2.887) 15.872 4.724 ( 8.491 0.000 -1.470) 8.617 4.761 ( 16.916 0.000 -6.757) 18.216 4.894 ( 8.444 0.000 0.119) 8.445 4.928 ( 21.663 0.000 2.974) 21.867 4.981 ( 10.170 0.000 12.955) 16.470 5.118 ( 9.514 0.000 -3.326) 10.078 5.431 ( 10.754 0.000 13.027) 16.892 5.459 ( 5.451 0.000 2.623) 6.049 5.526 ( -5.558 0.000 -1.439) 5.742 5.550 ( -0.682 0.000 5.817) 5.856 5.644 ( 15.611 0.000 3.858) 16.081 5.776 ( -5.857 0.000 1.632) 6.080 5.795 ( 1.475 0.000 -10.791) 10.892 5.988 ( 4.118 0.000 12.375) 13.042 6.032 ( -0.010 0.000 9.676) 9.676 6.143 ( 1.529 0.000 -2.599) 3.016 6.185 ( -3.470 0.000 -12.210) 12.694 6.262 ( 7.642 0.000 -2.114) 7.929 6.291 ( 8.514 0.000 -6.540) 10.735 6.303 ( 7.388 0.000 -7.899) 10.816 6.310 ( 2.456 0.000 -11.763) 12.017 6.339 ( 0.039 0.000 0.518) 0.520 6.462 ( -3.082 0.000 -5.926) 6.680 6.524 ( 2.613 0.000 3.587) 4.438 6.582 ( -5.622 0.000 2.915) 6.333 6.696 ( -0.989 0.000 6.384) 6.460 6.797 ( 0.658 0.000 4.363) 4.412 6.833 ( -9.095 0.000 5.723) 10.746 6.901 ( -3.253 0.000 2.668) 4.207 7.099 ( 8.230 0.000 1.499) 8.366 7.138 ( 7.503 0.000 8.130) 11.063 7.230 ( 7.414 0.000 -9.015) 11.672 7.252 ( 2.989 0.000 -7.998) 8.538 7.420 ( 5.643 0.000 8.696) 10.367 7.453 ( 2.723 0.000 8.459) 8.886 7.492 ( 9.430 0.000 -7.273) 11.909 7.586 ( 8.302 0.000 4.732) 9.556 7.700 ( -0.979 0.000 -14.041) 14.075 7.803 ( -1.052 0.000 -6.539) 6.623 7.855 ( -2.495 0.000 -13.132) 13.367 8.006 ( 2.009 0.000 -14.034) 14.177 8.032 ( 5.319 0.000 -11.163) 12.365 8.127 ( -2.569 0.000 -10.090) 10.412 8.197 ( 5.919 0.000 1.233) 6.046 8.321 ( 3.250 0.000 -7.090) 7.799 8.334 ( -1.140 0.000 -7.769) 7.852 8.393 ( 0.468 0.000 -3.886) 3.914 8.487 ( -4.769 0.000 -2.382) 5.331 8.534 ( -1.798 0.000 -2.326) 2.940 8.693 ( -6.807 0.000 7.820) 10.368 8.728 ( -3.668 0.000 3.876) 5.337 8.798 ( -6.787 0.000 0.295) 6.793 8.872 ( -6.029 0.000 1.751) 6.278 8.951 ( -13.583 0.000 11.105) 17.545 9.128 ( -1.595 0.000 1.705) 2.334 9.199 ( 1.146 0.000 7.716) 7.801 9.222 ( -11.939 0.000 4.345) 12.705 9.230 ( -1.317 0.000 6.727) 6.855 9.343 ( -5.624 0.000 -6.983) 8.966 9.384 ( -10.542 0.000 4.459) 11.446 9.482 ( -12.748 0.000 3.029) 13.103 9.535 ( -10.865 0.000 11.377) 15.732 9.606 ( -6.279 0.000 7.306) 9.633 9.646 ( 5.781 0.000 9.442) 11.071 9.771 ( -2.873 0.000 8.205) 8.694 9.799 ( -0.227 0.000 1.271) 1.291 9.889 ( -10.084 0.000 -8.728) 13.337 9.908 ( -2.677 0.000 -0.842) 2.806 9.972 ( -4.579 0.000 -4.783) 6.621 10.048 ( -2.885 0.000 -2.876) 4.074 10.068 ( -8.999 0.000 0.514) 9.014 10.149 ( -7.031 0.000 0.583) 7.056 10.153 ( -5.799 0.000 -1.621) 6.021 10.306 ( -1.315 0.000 -4.779) 4.957 10.368 ( -0.421 0.000 -2.343) 2.381 10.450 ( -1.115 0.000 -3.296) 3.480 10.533 ( 6.151 0.000 -3.983) 7.329 10.615 ( -1.098 0.000 2.941) 3.139 10.674 ( 5.703 0.000 -1.527) 5.904 10.701 ( 3.678 0.000 7.839) 8.659 10.726 ( 3.050 0.000 3.139) 4.376 10.782 ( -12.646 0.000 -0.232) 12.648 10.922 ( -0.911 0.000 4.992) 5.074 10.935 ( -0.267 0.000 -1.137) 1.168 11.088 ( 8.719 0.000 -3.122) 9.261 11.094 ( -6.282 0.000 -7.648) 9.897 11.159 ( 0.197 0.000 -1.263) 1.278 11.192 ( 2.592 0.000 -2.210) 3.406 11.320 ( -0.763 0.000 7.874) 7.911 11.342 ( -1.824 0.000 -9.203) 9.381 11.389 ( 1.507 0.000 -10.950) 11.053 11.413 ( 3.159 0.000 -9.153) 9.682 11.498 ( 2.769 0.000 0.668) 2.849 11.693 ( 2.202 0.000 -0.177) 2.209 11.699 ( 3.472 0.000 3.753) 5.112 11.739 ( 8.935 0.000 -2.601) 9.306 11.842 ( 5.749 0.000 -3.131) 6.547 11.921 ( 1.984 0.000 8.408) 8.639 11.942 ( 5.799 0.000 -4.073) 7.086 12.042 ( -4.566 0.000 -7.267) 8.582 12.061 ( 4.838 0.000 -2.293) 5.353 12.127 ( -3.763 0.000 -2.723) 4.645 12.147 ( -6.628 0.000 3.488) 7.489 12.279 ( 2.537 0.000 -4.783) 5.414 12.352 ( -0.665 0.000 -4.975) 5.019 12.457 ( 0.731 0.000 1.360) 1.545 12.491 ( -2.123 0.000 2.728) 3.457 12.712 ( -0.004 0.000 -5.438) 5.438 12.717 ( -2.148 0.000 -0.437) 2.192 12.880 ( 3.175 0.000 -2.570) 4.085 12.881 ( 0.813 0.000 0.394) 0.904 13.050 ( 4.513 0.000 3.468) 5.692 13.116 ( -3.329 0.000 -1.038) 3.487 13.218 ( 1.782 0.000 4.004) 4.383 13.325 ( 8.247 0.000 5.230) 9.766 13.380 ( -1.986 0.000 -3.921) 4.395 13.466 ( 7.453 0.000 -0.725) 7.488 13.487 ( 5.141 0.000 4.139) 6.600 13.618 ( -0.084 0.000 -0.027) 0.088 13.684 ( 7.627 0.000 3.238) 8.285 13.720 ( 1.764 0.000 -1.594) 2.377 13.862 ( 4.783 0.000 6.100) 7.752 13.958 ( -4.917 0.000 0.019) 4.917 13.978 ( 2.001 0.000 6.364) 6.671 14.046 ( 1.917 0.000 5.382) 5.713 14.085 ( 2.494 0.000 2.354) 3.429 14.155 ( 10.640 0.000 7.069) 12.774 14.177 ( -5.977 0.000 -3.497) 6.925 14.258 ( 6.796 0.000 5.526) 8.759 14.325 ( 6.602 0.000 -4.968) 8.263 14.348 ( 7.014 0.000 6.493) 9.558 14.534 ( 0.978 0.000 -5.889) 5.969 14.630 ( -0.646 0.000 1.992) 2.095 14.722 ( 12.526 0.000 -11.420) 16.950 14.802 ( 1.419 0.000 -8.436) 8.554 14.956 ( -0.524 0.000 13.141) 13.151 15.113 ( -1.533 0.000 3.420) 3.748 15.146 ( -0.034 0.000 -2.659) 2.660 15.215 ( -2.720 0.000 -0.187) 2.727 15.312 ( 2.159 0.000 -2.044) 2.973 15.395 ( -1.210 0.000 5.426) 5.559 15.407 ( -0.534 0.000 -3.050) 3.097 15.485 ( 1.359 0.000 -0.694) 1.526 15.494 ( 3.671 0.000 0.670) 3.732 15.676 ( 3.201 0.000 -4.775) 5.749 15.751 ( 0.144 0.000 -4.513) 4.515 15.785 ( 1.444 0.000 -4.329) 4.564 15.883 ( 2.400 0.000 5.486) 5.988 15.910 ( 5.545 0.000 1.611) 5.774 16.069 ( 4.964 0.000 -3.708) 6.196 16.078 ( 9.170 0.000 -0.997) 9.224 16.389 ( -5.992 0.000 6.444) 8.799 16.452 ( -6.975 0.000 2.763) 7.502 16.525 ( 0.751 0.000 2.827) 2.925 16.626 ( -6.035 0.000 0.347) 6.045 16.935 ( -5.595 0.000 7.963) 9.732 16.976 ( 5.402 0.000 -3.742) 6.571 16.976 ( -3.142 0.000 2.209) 3.841 17.071 ( -6.590 0.000 3.865) 7.640 18.494 ( -10.004 0.000 -3.197) 10.502 18.663 ( -4.855 0.000 -10.421) 11.497 18.740 ( -0.616 0.000 -0.558) 0.831 18.913 ( -7.443 0.000 -7.121) 10.300 19.570 ( -0.822 0.000 -0.115) 0.830 19.619 ( -3.771 0.000 -2.733) 4.657 19.641 ( -1.424 0.000 0.078) 1.426 19.741 ( -2.718 0.000 -6.202) 6.772 21.192 ( -10.658 0.000 5.829) 12.148 21.237 ( -8.933 0.000 2.582) 9.298 21.254 ( -12.904 0.000 2.297) 13.107 21.351 ( -10.174 0.000 -2.120) 10.392 21.560 ( -9.819 0.000 6.356) 11.697 21.663 ( -11.211 0.000 2.460) 11.478 21.780 ( -9.522 0.000 -2.262) 9.787 21.782 ( -9.596 0.000 -3.480) 10.208 25.092 ( 9.631 0.000 1.333) 9.723 25.093 ( 9.135 0.000 0.811) 9.171 25.159 ( 15.155 0.000 -2.599) 15.376 25.215 ( 19.059 0.000 -6.846) 20.251 26.238 ( 1.059 0.000 4.004) 4.142 26.306 ( 3.063 0.000 0.353) 3.083 26.314 ( 2.998 0.000 -0.316) 3.015 26.329 ( -2.604 0.000 1.245) 2.886 26.504 ( -1.295 0.000 10.104) 10.187 26.598 ( -0.738 0.000 1.291) 1.487 26.698 ( -0.030 0.000 -3.055) 3.055 26.789 ( 0.531 0.000 -2.942) 2.990 26.820 ( 4.496 0.000 2.122) 4.971 26.892 ( 3.446 0.000 -1.538) 3.773 27.046 ( -3.806 0.000 6.124) 7.210 27.191 ( 0.580 0.000 -1.924) 2.010 27.294 ( -0.487 0.000 1.808) 1.872 27.346 ( -2.431 0.000 -0.714) 2.533 27.463 ( 7.551 0.000 0.241) 7.555 27.482 ( 10.396 0.000 -0.687) 10.419 27.544 ( 10.990 0.000 1.250) 11.060 27.727 ( 23.087 0.000 -12.573) 26.288 28.133 ( -1.815 0.000 4.007) 4.399 28.362 ( 0.900 0.000 -7.853) 7.904 28.984 ( -9.802 0.000 -0.388) 9.809 29.205 ( -11.872 0.000 -9.519) 15.217 29.437 ( -6.285 0.000 -1.286) 6.415 29.446 ( -6.071 0.000 -1.065) 6.164 29.928 ( -7.853 0.000 8.285) 11.415 30.019 ( -5.237 0.000 1.308) 5.398 30.025 ( -4.746 0.000 0.207) 4.750 30.110 ( -6.650 0.000 -0.886) 6.708 30.232 ( 0.307 0.000 9.496) 9.501 30.293 ( 0.198 0.000 1.057) 1.076 30.324 ( -0.009 0.000 0.306) 0.306 30.575 ( -3.007 0.000 -3.626) 4.711 30.576 ( -1.088 0.000 7.110) 7.193 30.704 ( 1.081 0.000 5.470) 5.576 30.731 ( 3.535 0.000 2.267) 4.199 30.733 ( 0.893 0.000 -4.045) 4.143 30.789 ( 5.160 0.000 -0.888) 5.236 30.994 ( -1.804 0.000 -6.136) 6.396 31.251 ( -1.605 0.000 1.571) 2.246 31.294 ( -2.972 0.000 -1.450) 3.307 32.782 ( -20.948 0.000 7.079) 22.111 33.036 ( -16.993 0.000 -9.104) 19.279 33.072 ( -23.478 0.000 3.916) 23.802 33.331 ( -12.428 0.000 -8.623) 15.126 ======================= Grid point 68 (27/48) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 12.766 0.000 33.714) 36.050 2.489 ( 3.234 0.000 -5.574) 6.444 2.645 ( 6.868 0.000 1.829) 7.107 2.872 ( 27.315 0.000 36.893) 45.905 2.964 ( 12.886 0.000 25.485) 28.558 3.489 ( 13.602 0.000 -3.574) 14.064 3.549 ( 20.222 0.000 15.578) 25.526 3.677 ( 9.612 0.000 11.106) 14.687 3.972 ( 13.768 0.000 -22.879) 26.702 4.029 ( 21.014 0.000 12.562) 24.482 4.041 ( 9.697 0.000 -3.091) 10.178 4.336 ( 5.490 0.000 -13.108) 14.212 4.540 ( 16.822 0.000 -7.586) 18.453 4.566 ( 6.202 0.000 0.925) 6.271 4.699 ( 4.573 0.000 -0.090) 4.574 4.709 ( 13.692 0.000 -11.287) 17.744 5.037 ( 12.778 0.000 -1.098) 12.825 5.041 ( 22.182 0.000 5.091) 22.759 5.104 ( 16.254 0.000 -9.799) 18.979 5.136 ( 12.635 0.000 -3.704) 13.167 5.226 ( -8.327 0.000 -3.412) 8.999 5.332 ( 11.860 0.000 -1.065) 11.908 5.439 ( -9.854 0.000 8.289) 12.877 5.444 ( 8.922 0.000 2.179) 9.184 5.554 ( 6.337 0.000 4.446) 7.741 5.614 ( 28.875 0.000 6.777) 29.660 5.768 ( 4.665 0.000 -5.214) 6.996 5.841 ( 20.202 0.000 -0.575) 20.211 5.852 ( 22.027 0.000 4.260) 22.435 5.938 ( 16.116 0.000 5.112) 16.907 6.029 ( 8.255 0.000 -3.052) 8.801 6.072 ( -0.998 0.000 -7.694) 7.759 6.119 ( 1.839 0.000 -1.704) 2.507 6.205 ( 2.802 0.000 0.469) 2.841 6.251 ( -5.535 0.000 -4.648) 7.227 6.263 ( 6.831 0.000 -4.383) 8.116 6.350 ( -2.645 0.000 -4.228) 4.987 6.370 ( 6.047 0.000 5.177) 7.960 6.522 ( 4.477 0.000 -3.832) 5.893 6.629 ( 15.795 0.000 -1.033) 15.829 6.707 ( 14.480 0.000 -0.607) 14.492 6.726 ( 0.022 0.000 0.460) 0.460 6.728 ( 12.139 0.000 6.344) 13.697 6.751 ( 6.101 0.000 4.646) 7.669 6.790 ( 10.068 0.000 11.379) 15.193 6.944 ( 5.523 0.000 3.181) 6.374 7.173 ( -0.199 0.000 2.653) 2.661 7.245 ( 3.709 0.000 6.809) 7.754 7.326 ( 4.190 0.000 -5.046) 6.558 7.435 ( 0.862 0.000 7.374) 7.424 7.462 ( -0.223 0.000 -0.725) 0.758 7.475 ( 12.061 0.000 -7.815) 14.372 7.683 ( 0.138 0.000 -6.774) 6.776 7.709 ( -0.451 0.000 -4.787) 4.809 7.753 ( 3.720 0.000 4.400) 5.762 7.825 ( 7.045 0.000 -2.236) 7.391 7.842 ( 8.866 0.000 0.098) 8.867 7.997 ( -6.054 0.000 -3.892) 7.197 8.033 ( 0.780 0.000 -4.905) 4.966 8.144 ( -0.384 0.000 -0.734) 0.829 8.248 ( -3.953 0.000 -4.493) 5.984 8.249 ( -6.949 0.000 3.643) 7.846 8.335 ( -1.716 0.000 -7.377) 7.574 8.405 ( -7.758 0.000 4.184) 8.814 8.447 ( 1.431 0.000 -9.878) 9.981 8.521 ( 8.449 0.000 -2.443) 8.795 8.569 ( -10.198 0.000 1.989) 10.390 8.595 ( -5.971 0.000 -1.870) 6.257 8.681 ( -0.809 0.000 -3.016) 3.122 8.770 ( -3.205 0.000 -1.952) 3.753 8.824 ( 0.230 0.000 4.528) 4.534 8.956 ( -17.614 0.000 -0.919) 17.638 8.999 ( -9.013 0.000 0.936) 9.062 9.090 ( -9.342 0.000 -3.461) 9.963 9.143 ( -1.680 0.000 4.360) 4.672 9.199 ( -5.422 0.000 11.971) 13.142 9.240 ( -4.013 0.000 4.627) 6.125 9.421 ( 3.441 0.000 8.204) 8.896 9.452 ( -8.229 0.000 6.907) 10.743 9.485 ( 4.078 0.000 2.041) 4.560 9.669 ( -4.351 0.000 -1.837) 4.723 9.700 ( -1.031 0.000 -2.491) 2.696 9.730 ( -5.654 0.000 -0.949) 5.733 9.753 ( -3.238 0.000 4.560) 5.593 9.782 ( -10.999 0.000 -3.456) 11.529 9.904 ( 1.864 0.000 -10.062) 10.233 9.933 ( -3.130 0.000 3.212) 4.484 10.042 ( 2.557 0.000 1.245) 2.844 10.109 ( 2.837 0.000 0.210) 2.845 10.135 ( 4.309 0.000 -6.388) 7.705 10.247 ( -4.399 0.000 -3.585) 5.675 10.329 ( -1.602 0.000 -5.205) 5.446 10.420 ( -3.340 0.000 -1.625) 3.714 10.536 ( -12.705 0.000 -5.129) 13.701 10.537 ( -7.057 0.000 -3.959) 8.092 10.562 ( -3.359 0.000 -8.704) 9.329 10.695 ( -3.213 0.000 1.008) 3.367 10.736 ( -0.815 0.000 1.398) 1.618 10.771 ( -1.730 0.000 5.338) 5.611 10.886 ( 2.870 0.000 5.554) 6.252 10.896 ( -4.575 0.000 3.695) 5.880 11.042 ( 2.290 0.000 -3.613) 4.278 11.159 ( 2.184 0.000 2.703) 3.475 11.263 ( 1.121 0.000 -1.440) 1.825 11.266 ( 5.032 0.000 -0.334) 5.043 11.316 ( 0.756 0.000 7.254) 7.293 11.373 ( 2.480 0.000 0.145) 2.485 11.394 ( 1.744 0.000 -4.397) 4.730 11.462 ( -0.512 0.000 -2.085) 2.147 11.487 ( -4.085 0.000 -2.986) 5.060 11.715 ( 0.571 0.000 -2.283) 2.353 11.744 ( 4.752 0.000 3.606) 5.965 11.801 ( -3.600 0.000 -3.897) 5.305 11.887 ( -3.808 0.000 -1.941) 4.274 11.954 ( -2.590 0.000 -2.518) 3.613 12.037 ( 2.874 0.000 -1.327) 3.166 12.057 ( 6.315 0.000 2.878) 6.939 12.111 ( 2.699 0.000 -4.928) 5.618 12.151 ( 5.638 0.000 1.523) 5.840 12.239 ( 9.490 0.000 -2.304) 9.766 12.323 ( 5.600 0.000 -0.128) 5.601 12.361 ( 4.176 0.000 -2.539) 4.887 12.484 ( 3.073 0.000 -2.973) 4.276 12.505 ( 2.362 0.000 -1.330) 2.711 12.685 ( -2.768 0.000 -0.593) 2.830 12.695 ( -0.632 0.000 -3.174) 3.236 12.857 ( 0.358 0.000 -3.764) 3.781 12.905 ( -0.318 0.000 -4.766) 4.776 12.994 ( -8.500 0.000 4.623) 9.676 13.033 ( -3.711 0.000 1.976) 4.204 13.351 ( -2.362 0.000 5.982) 6.431 13.378 ( 1.300 0.000 1.346) 1.871 13.445 ( 6.888 0.000 -0.730) 6.926 13.537 ( -0.867 0.000 -0.474) 0.988 13.558 ( -4.199 0.000 1.716) 4.536 13.600 ( 4.429 0.000 -0.745) 4.491 13.646 ( -4.239 0.000 2.266) 4.807 13.713 ( -1.644 0.000 -2.948) 3.376 13.932 ( -2.639 0.000 3.911) 4.718 13.963 ( -8.810 0.000 3.113) 9.344 14.068 ( 9.863 0.000 10.218) 14.202 14.075 ( 11.156 0.000 4.067) 11.874 14.170 ( 6.760 0.000 2.756) 7.301 14.178 ( 6.332 0.000 7.275) 9.644 14.327 ( 6.683 0.000 6.946) 9.639 14.415 ( 4.424 0.000 8.194) 9.312 14.423 ( 3.872 0.000 -3.877) 5.479 14.491 ( 12.659 0.000 -1.844) 12.793 14.530 ( -0.178 0.000 -1.490) 1.501 14.706 ( 5.708 0.000 5.066) 7.632 14.848 ( 3.321 0.000 -4.768) 5.811 14.951 ( 7.291 0.000 -16.166) 17.734 14.958 ( 1.678 0.000 7.337) 7.526 15.143 ( 1.720 0.000 0.566) 1.810 15.234 ( 13.124 0.000 -0.306) 13.128 15.283 ( 9.172 0.000 -1.391) 9.277 15.407 ( 2.810 0.000 2.895) 4.034 15.453 ( 5.902 0.000 -4.019) 7.140 15.475 ( 11.894 0.000 -1.414) 11.978 15.534 ( 4.533 0.000 -6.558) 7.972 15.557 ( 4.729 0.000 -4.170) 6.305 15.726 ( 0.518 0.000 -7.471) 7.489 15.729 ( -2.198 0.000 -0.194) 2.206 15.814 ( 0.361 0.000 -3.596) 3.614 15.928 ( 2.190 0.000 7.140) 7.468 15.976 ( -0.218 0.000 2.288) 2.299 16.095 ( -4.462 0.000 -0.191) 4.466 16.237 ( 4.637 0.000 2.880) 5.458 16.273 ( -1.628 0.000 -4.070) 4.384 16.314 ( -4.925 0.000 0.167) 4.928 16.484 ( -7.291 0.000 4.415) 8.524 16.508 ( -4.872 0.000 1.546) 5.112 16.813 ( -7.994 0.000 10.323) 13.057 16.826 ( -8.484 0.000 3.194) 9.066 16.930 ( -4.927 0.000 3.509) 6.049 17.069 ( 1.197 0.000 -13.880) 13.931 18.322 ( -5.952 0.000 0.876) 6.016 18.533 ( -7.395 0.000 -8.880) 11.556 18.705 ( -1.905 0.000 -2.914) 3.481 18.729 ( -10.555 0.000 -4.127) 11.333 19.557 ( -1.869 0.000 -0.460) 1.925 19.557 ( -0.091 0.000 -0.730) 0.735 19.621 ( -0.202 0.000 -0.872) 0.895 19.686 ( -2.240 0.000 -5.444) 5.887 20.886 ( -20.813 0.000 6.582) 21.829 20.907 ( -22.815 0.000 4.575) 23.269 20.971 ( -18.688 0.000 1.263) 18.731 21.047 ( -21.197 0.000 -1.147) 21.228 21.286 ( -18.298 0.000 5.269) 19.041 21.359 ( -20.079 0.000 3.654) 20.408 21.488 ( -20.454 0.000 -2.606) 20.620 21.503 ( -19.063 0.000 -2.185) 19.188 25.322 ( 13.711 0.000 2.861) 14.006 25.331 ( 14.233 0.000 3.788) 14.729 25.506 ( 18.946 0.000 -6.678) 20.089 25.592 ( 18.195 0.000 -10.808) 21.163 26.274 ( 2.726 0.000 2.436) 3.656 26.289 ( -1.252 0.000 2.173) 2.508 26.384 ( 4.220 0.000 0.460) 4.245 26.397 ( 5.382 0.000 -0.238) 5.388 26.473 ( -1.005 0.000 8.535) 8.594 26.575 ( -1.684 0.000 3.927) 4.273 26.686 ( -1.700 0.000 -2.862) 3.329 26.732 ( -4.414 0.000 -4.103) 6.026 26.923 ( 5.326 0.000 1.605) 5.562 27.004 ( 1.410 0.000 -3.319) 3.607 27.050 ( 6.127 0.000 6.838) 9.181 27.232 ( 2.622 0.000 -2.164) 3.400 27.288 ( 2.980 0.000 1.188) 3.209 27.293 ( -0.741 0.000 0.039) 0.742 27.615 ( 5.614 0.000 2.661) 6.212 27.712 ( 9.462 0.000 -1.768) 9.626 27.825 ( 17.097 0.000 2.485) 17.276 28.088 ( 13.164 0.000 -12.081) 17.867 28.111 ( 0.795 0.000 4.166) 4.241 28.445 ( 8.350 0.000 -16.193) 18.219 28.728 ( -15.344 0.000 -0.032) 15.344 28.909 ( -17.336 0.000 -6.279) 18.438 29.246 ( -13.206 0.000 -2.751) 13.490 29.261 ( -13.138 0.000 -2.060) 13.299 29.741 ( -11.127 0.000 7.117) 13.209 29.866 ( -10.298 0.000 2.024) 10.495 29.875 ( -10.869 0.000 -0.324) 10.874 29.952 ( -9.398 0.000 -2.057) 9.621 30.232 ( -0.318 0.000 9.242) 9.248 30.296 ( 0.167 0.000 1.039) 1.052 30.315 ( -1.129 0.000 0.719) 1.339 30.507 ( -4.012 0.000 -1.080) 4.155 30.563 ( 0.505 0.000 4.655) 4.683 30.731 ( -0.674 0.000 -6.082) 6.119 30.740 ( 2.704 0.000 4.280) 5.063 30.826 ( 5.996 0.000 4.384) 7.427 30.903 ( 5.531 0.000 -1.842) 5.829 31.002 ( 3.473 0.000 -3.531) 4.953 31.208 ( -2.662 0.000 0.457) 2.701 31.226 ( -3.142 0.000 -2.532) 4.035 32.304 ( -25.348 0.000 17.518) 30.812 32.570 ( -27.067 0.000 3.865) 27.341 32.622 ( -24.180 0.000 -7.240) 25.241 33.009 ( -19.952 0.000 -11.969) 23.266 ======================= Grid point 69 (28/48) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 22.574 0.000 21.065) 30.876 2.669 ( 13.975 0.000 -5.480) 15.011 2.878 ( 16.125 0.000 0.805) 16.145 3.099 ( 9.665 0.000 9.967) 13.883 3.473 ( 25.436 0.000 18.497) 31.450 3.752 ( 3.564 0.000 -1.690) 3.945 3.890 ( 11.458 0.000 -4.200) 12.203 3.903 ( 26.466 0.000 9.867) 28.246 4.135 ( 6.984 0.000 -1.765) 7.204 4.248 ( 15.342 0.000 -2.908) 15.615 4.376 ( -7.509 0.000 -0.949) 7.569 4.484 ( 17.727 0.000 10.889) 20.804 4.659 ( 3.642 0.000 -9.999) 10.642 4.728 ( -2.480 0.000 -2.261) 3.356 4.864 ( -2.431 0.000 -6.012) 6.485 4.892 ( 9.788 0.000 0.965) 9.836 5.039 ( 4.571 0.000 -4.509) 6.420 5.090 ( 2.049 0.000 13.947) 14.097 5.196 ( -9.264 0.000 -3.431) 9.879 5.261 ( 1.647 0.000 0.842) 1.849 5.275 ( 5.242 0.000 -0.811) 5.304 5.364 ( 9.903 0.000 -6.363) 11.771 5.525 ( -6.676 0.000 0.789) 6.722 5.528 ( 16.601 0.000 -9.379) 19.068 5.695 ( 11.629 0.000 -1.712) 11.755 5.761 ( -0.630 0.000 0.508) 0.810 5.913 ( 4.590 0.000 5.478) 7.147 5.977 ( -4.188 0.000 -6.550) 7.775 6.040 ( -7.131 0.000 5.471) 8.988 6.101 ( -7.607 0.000 -7.361) 10.585 6.224 ( 7.011 0.000 0.036) 7.011 6.255 ( 16.698 0.000 -1.730) 16.787 6.331 ( 5.731 0.000 -2.646) 6.312 6.334 ( -2.741 0.000 7.189) 7.693 6.378 ( 17.773 0.000 -5.152) 18.505 6.404 ( 11.859 0.000 2.157) 12.054 6.473 ( 15.127 0.000 2.483) 15.330 6.581 ( 7.183 0.000 -4.164) 8.303 6.659 ( 10.733 0.000 -0.970) 10.776 6.690 ( 3.547 0.000 1.853) 4.002 6.762 ( 8.257 0.000 5.195) 9.755 6.930 ( 2.974 0.000 -1.162) 3.193 7.020 ( 13.261 0.000 -3.435) 13.699 7.044 ( 6.902 0.000 5.812) 9.023 7.130 ( 17.423 0.000 2.073) 17.546 7.151 ( 9.501 0.000 -8.870) 12.998 7.176 ( 13.459 0.000 5.968) 14.723 7.330 ( 1.657 0.000 5.778) 6.011 7.404 ( 8.919 0.000 -0.538) 8.935 7.428 ( -1.002 0.000 6.104) 6.185 7.500 ( 9.148 0.000 2.826) 9.574 7.538 ( -10.262 0.000 4.707) 11.290 7.668 ( 4.658 0.000 -3.770) 5.992 7.692 ( 4.082 0.000 -4.487) 6.066 7.848 ( 2.746 0.000 10.793) 11.137 7.854 ( -2.546 0.000 3.349) 4.207 7.937 ( 1.226 0.000 1.841) 2.212 7.947 ( -5.756 0.000 0.700) 5.799 8.028 ( 3.123 0.000 7.483) 8.108 8.147 ( 5.420 0.000 0.099) 5.421 8.199 ( 1.777 0.000 4.715) 5.039 8.220 ( -1.139 0.000 -0.086) 1.142 8.243 ( -6.296 0.000 -7.119) 9.504 8.297 ( -4.476 0.000 -1.355) 4.676 8.414 ( -5.224 0.000 -2.574) 5.824 8.446 ( 4.803 0.000 -3.852) 6.157 8.469 ( 0.435 0.000 5.413) 5.430 8.577 ( -0.968 0.000 -4.329) 4.436 8.669 ( -2.463 0.000 -2.097) 3.235 8.798 ( 2.369 0.000 -4.993) 5.526 8.850 ( 1.670 0.000 -1.619) 2.326 8.854 ( 2.727 0.000 -4.573) 5.324 8.931 ( 0.385 0.000 0.913) 0.990 8.932 ( -7.005 0.000 0.098) 7.005 9.144 ( -4.389 0.000 -0.423) 4.409 9.154 ( -0.833 0.000 5.645) 5.706 9.199 ( 8.385 0.000 6.167) 10.408 9.211 ( -10.197 0.000 3.818) 10.889 9.504 ( -6.602 0.000 -2.215) 6.964 9.505 ( 1.191 0.000 -3.951) 4.127 9.637 ( 2.236 0.000 0.138) 2.240 9.716 ( 2.888 0.000 -1.189) 3.123 9.734 ( 11.111 0.000 -4.771) 12.092 9.747 ( 5.324 0.000 -3.297) 6.262 9.854 ( 8.059 0.000 -3.381) 8.740 9.951 ( 0.251 0.000 -10.890) 10.893 9.960 ( 5.872 0.000 5.446) 8.009 10.139 ( 2.529 0.000 1.014) 2.725 10.164 ( 4.233 0.000 7.053) 8.226 10.200 ( 0.141 0.000 1.238) 1.246 10.237 ( 9.620 0.000 -9.629) 13.611 10.312 ( -1.768 0.000 -4.942) 5.249 10.356 ( -1.649 0.000 -3.715) 4.064 10.358 ( -5.584 0.000 -5.531) 7.860 10.398 ( 2.542 0.000 -5.902) 6.426 10.499 ( -4.439 0.000 -1.611) 4.722 10.611 ( -2.633 0.000 3.319) 4.237 10.694 ( 2.065 0.000 -3.565) 4.120 10.741 ( -0.256 0.000 2.176) 2.191 10.780 ( -8.016 0.000 -1.198) 8.105 11.002 ( 4.013 0.000 -0.194) 4.018 11.057 ( -3.916 0.000 -1.978) 4.387 11.161 ( -4.298 0.000 2.585) 5.015 11.210 ( -3.456 0.000 5.292) 6.321 11.233 ( -6.331 0.000 3.209) 7.098 11.328 ( -7.852 0.000 -0.129) 7.853 11.338 ( 1.205 0.000 5.874) 5.996 11.419 ( -4.072 0.000 -1.270) 4.265 11.441 ( 3.702 0.000 2.979) 4.752 11.442 ( 0.266 0.000 3.204) 3.215 11.735 ( -7.830 0.000 -6.197) 9.985 11.744 ( 0.445 0.000 -3.515) 3.543 11.766 ( 0.740 0.000 -4.243) 4.307 11.836 ( 0.624 0.000 -6.152) 6.184 11.914 ( -0.963 0.000 -0.219) 0.988 12.051 ( -2.759 0.000 -3.228) 4.246 12.112 ( -0.973 0.000 2.645) 2.818 12.132 ( -1.031 0.000 -1.444) 1.774 12.215 ( 1.474 0.000 0.431) 1.536 12.288 ( 1.998 0.000 -2.152) 2.937 12.391 ( -4.259 0.000 0.389) 4.277 12.478 ( -12.089 0.000 -2.852) 12.421 12.558 ( 9.636 0.000 -0.530) 9.651 12.577 ( 8.078 0.000 4.389) 9.193 12.681 ( 10.006 0.000 1.677) 10.146 12.760 ( 2.587 0.000 -1.950) 3.239 12.836 ( -9.288 0.000 -4.268) 10.222 12.859 ( -4.799 0.000 2.375) 5.355 12.908 ( 0.655 0.000 -2.791) 2.866 12.986 ( 3.105 0.000 -2.313) 3.872 13.186 ( -2.462 0.000 5.203) 5.756 13.342 ( -4.304 0.000 8.651) 9.662 13.440 ( -4.836 0.000 -1.349) 5.021 13.516 ( -1.675 0.000 -0.503) 1.749 13.604 ( 6.619 0.000 -4.910) 8.241 13.628 ( -0.024 0.000 -4.889) 4.889 13.640 ( -0.317 0.000 1.539) 1.571 13.666 ( -2.776 0.000 -1.833) 3.327 13.780 ( -6.638 0.000 3.882) 7.689 13.857 ( -5.061 0.000 -1.221) 5.206 14.228 ( 4.646 0.000 4.153) 6.232 14.237 ( 5.046 0.000 7.878) 9.356 14.328 ( 8.148 0.000 4.221) 9.177 14.343 ( 8.734 0.000 3.705) 9.488 14.426 ( 5.095 0.000 4.836) 7.024 14.516 ( 7.101 0.000 -1.231) 7.207 14.550 ( 8.349 0.000 8.826) 12.149 14.579 ( 5.615 0.000 1.067) 5.715 14.730 ( 10.640 0.000 1.320) 10.721 14.800 ( 5.209 0.000 2.821) 5.924 14.917 ( 3.704 0.000 -2.128) 4.272 15.022 ( 4.727 0.000 3.855) 6.100 15.031 ( 1.363 0.000 -11.146) 11.229 15.158 ( 1.149 0.000 -0.336) 1.198 15.407 ( -0.047 0.000 -2.656) 2.656 15.439 ( 2.182 0.000 -2.637) 3.423 15.518 ( 1.296 0.000 2.870) 3.149 15.585 ( 12.638 0.000 2.600) 12.902 15.612 ( -2.031 0.000 -6.426) 6.739 15.652 ( 13.498 0.000 -2.913) 13.809 15.674 ( -2.837 0.000 1.552) 3.234 15.754 ( 7.980 0.000 -3.244) 8.614 15.787 ( -2.964 0.000 -3.167) 4.338 15.820 ( 10.693 0.000 -4.672) 11.669 15.898 ( -4.315 0.000 2.235) 4.860 15.933 ( -3.516 0.000 7.967) 8.708 15.969 ( -1.915 0.000 0.436) 1.964 16.228 ( -0.877 0.000 -8.356) 8.402 16.249 ( -3.897 0.000 -2.421) 4.588 16.263 ( -7.911 0.000 1.556) 8.062 16.376 ( -4.356 0.000 4.531) 6.285 16.424 ( 2.242 0.000 -0.973) 2.444 16.641 ( -7.580 0.000 10.827) 13.216 16.679 ( -7.620 0.000 6.200) 9.824 16.918 ( 2.238 0.000 -1.844) 2.900 17.056 ( -1.956 0.000 -15.268) 15.393 18.328 ( 7.579 0.000 3.416) 8.313 18.458 ( 1.991 0.000 -2.691) 3.347 18.571 ( -3.539 0.000 1.008) 3.679 18.716 ( 4.329 0.000 -4.941) 6.569 19.567 ( 3.352 0.000 0.694) 3.423 19.588 ( 3.775 0.000 -0.324) 3.789 19.653 ( 4.053 0.000 -2.413) 4.716 19.681 ( 2.285 0.000 -4.490) 5.038 20.389 ( -30.434 0.000 5.890) 30.999 20.404 ( -28.604 0.000 6.767) 29.394 20.524 ( -27.354 0.000 -0.694) 27.363 20.547 ( -30.107 0.000 -0.113) 30.107 20.874 ( -23.719 0.000 3.582) 23.988 20.912 ( -25.342 0.000 4.454) 25.730 21.024 ( -26.682 0.000 -2.275) 26.779 21.065 ( -25.495 0.000 -2.294) 25.598 25.593 ( 13.886 0.000 4.301) 14.537 25.610 ( 14.067 0.000 5.086) 14.958 25.838 ( 14.821 0.000 -8.063) 16.872 25.892 ( 12.739 0.000 -9.255) 15.746 26.281 ( 0.230 0.000 2.628) 2.638 26.336 ( 2.798 0.000 0.663) 2.876 26.382 ( -2.526 0.000 4.795) 5.420 26.463 ( -1.373 0.000 2.203) 2.596 26.554 ( 8.034 0.000 1.491) 8.171 26.570 ( 1.929 0.000 -0.149) 1.935 26.631 ( -3.534 0.000 -2.303) 4.218 26.665 ( -0.064 0.000 -2.904) 2.904 26.936 ( -6.200 0.000 -0.247) 6.205 26.971 ( -1.747 0.000 -1.860) 2.551 27.206 ( 9.328 0.000 4.019) 10.157 27.258 ( 4.440 0.000 3.342) 5.557 27.409 ( 8.749 0.000 -1.022) 8.808 27.468 ( 14.074 0.000 -2.076) 14.226 27.607 ( -5.127 0.000 2.848) 5.864 27.737 ( -6.630 0.000 -3.319) 7.415 28.121 ( 3.732 0.000 2.853) 4.698 28.188 ( 11.024 0.000 4.475) 11.898 28.234 ( -6.350 0.000 -0.482) 6.368 28.469 ( 3.747 0.000 -9.251) 9.981 28.639 ( -6.029 0.000 -2.588) 6.561 28.687 ( 10.363 0.000 -11.913) 15.790 28.954 ( -17.942 0.000 -2.636) 18.135 28.962 ( -14.429 0.000 -4.015) 14.977 29.513 ( -12.296 0.000 5.015) 13.279 29.629 ( -14.099 0.000 -1.067) 14.140 29.634 ( -13.321 0.000 2.770) 13.606 29.733 ( -13.503 0.000 -2.462) 13.725 30.224 ( -0.426 0.000 7.539) 7.551 30.284 ( -1.757 0.000 1.791) 2.509 30.300 ( 0.352 0.000 0.943) 1.007 30.434 ( -3.283 0.000 -0.063) 3.283 30.607 ( 3.865 0.000 1.707) 4.225 30.724 ( 0.213 0.000 -5.713) 5.717 30.803 ( 3.516 0.000 5.179) 6.259 30.951 ( 6.662 0.000 7.321) 9.898 30.979 ( 0.042 0.000 0.074) 0.085 31.063 ( 3.557 0.000 -1.396) 3.822 31.162 ( -1.372 0.000 -1.245) 1.853 31.268 ( 9.038 0.000 -7.525) 11.760 31.866 ( -19.979 0.000 16.462) 25.888 32.069 ( -24.018 0.000 4.684) 24.470 32.158 ( -22.898 0.000 -6.719) 23.864 32.600 ( -21.701 0.000 -13.192) 25.396 ======================= Grid point 70 (29/48) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( 27.881 0.000 11.084) 30.003 2.970 ( 16.222 0.000 -0.702) 16.237 3.236 ( 20.579 0.000 -0.964) 20.602 3.301 ( 8.722 0.000 4.393) 9.766 3.625 ( -0.321 0.000 -1.605) 1.637 3.894 ( -16.441 0.000 -8.962) 18.725 4.006 ( -19.239 0.000 -1.598) 19.305 4.097 ( 12.412 0.000 1.748) 12.535 4.270 ( 0.359 0.000 4.181) 4.197 4.322 ( 11.228 0.000 4.185) 11.983 4.470 ( 18.323 0.000 -1.762) 18.408 4.568 ( 12.024 0.000 -2.192) 12.222 4.801 ( 3.409 0.000 2.915) 4.485 4.832 ( 9.418 0.000 5.068) 10.695 4.929 ( 4.094 0.000 0.664) 4.147 4.934 ( 7.764 0.000 6.885) 10.377 5.043 ( -6.092 0.000 -7.841) 9.930 5.054 ( -3.292 0.000 -2.948) 4.419 5.280 ( 3.213 0.000 8.992) 9.549 5.310 ( 2.530 0.000 -2.646) 3.661 5.359 ( -0.056 0.000 -2.694) 2.694 5.417 ( -0.108 0.000 2.998) 3.000 5.520 ( 2.184 0.000 -0.170) 2.191 5.642 ( -4.716 0.000 -2.024) 5.132 5.794 ( -5.388 0.000 -4.842) 7.244 5.822 ( -10.081 0.000 -2.257) 10.331 5.881 ( 7.663 0.000 -12.341) 14.526 5.899 ( -6.924 0.000 1.181) 7.024 5.997 ( 8.254 0.000 -2.693) 8.682 6.083 ( 14.192 0.000 4.395) 14.857 6.242 ( -0.345 0.000 3.639) 3.655 6.250 ( 1.327 0.000 0.226) 1.346 6.392 ( 2.820 0.000 0.272) 2.833 6.413 ( -0.942 0.000 -3.856) 3.969 6.582 ( -2.943 0.000 -3.321) 4.437 6.583 ( 6.020 0.000 6.192) 8.636 6.691 ( 10.095 0.000 2.000) 10.291 6.714 ( 11.315 0.000 9.644) 14.867 6.824 ( 6.945 0.000 2.389) 7.344 6.825 ( -2.696 0.000 -5.100) 5.768 6.889 ( 7.987 0.000 2.277) 8.305 6.905 ( -2.390 0.000 -10.025) 10.306 7.016 ( -1.690 0.000 0.208) 1.703 7.044 ( -1.827 0.000 2.460) 3.064 7.165 ( -8.368 0.000 4.236) 9.379 7.182 ( -2.254 0.000 -0.005) 2.254 7.246 ( -11.012 0.000 0.113) 11.013 7.317 ( -0.793 0.000 -2.094) 2.240 7.436 ( 1.720 0.000 7.618) 7.810 7.511 ( -5.404 0.000 6.674) 8.587 7.599 ( -4.883 0.000 2.184) 5.349 7.601 ( 9.054 0.000 1.285) 9.144 7.730 ( 2.905 0.000 -0.165) 2.909 7.752 ( -4.518 0.000 5.406) 7.046 7.775 ( -5.109 0.000 4.125) 6.566 7.840 ( -5.090 0.000 3.545) 6.203 7.864 ( 9.254 0.000 -4.043) 10.099 8.061 ( 0.918 0.000 -5.663) 5.736 8.118 ( -0.650 0.000 1.115) 1.291 8.240 ( 4.776 0.000 3.902) 6.168 8.269 ( 16.151 0.000 -5.190) 16.964 8.294 ( 2.373 0.000 -3.248) 4.023 8.314 ( 5.168 0.000 0.137) 5.170 8.415 ( 10.074 0.000 6.030) 11.741 8.421 ( 10.815 0.000 -1.366) 10.901 8.545 ( 12.702 0.000 -1.290) 12.768 8.603 ( 1.359 0.000 0.347) 1.403 8.618 ( 7.838 0.000 -5.436) 9.539 8.733 ( 9.517 0.000 11.015) 14.557 8.810 ( 0.935 0.000 -3.265) 3.396 8.830 ( 2.073 0.000 -5.043) 5.452 8.832 ( 0.991 0.000 2.771) 2.943 8.843 ( -3.284 0.000 2.244) 3.978 8.946 ( -4.235 0.000 -1.569) 4.516 9.023 ( -6.744 0.000 2.249) 7.109 9.148 ( 14.821 0.000 -0.177) 14.822 9.254 ( 4.137 0.000 -2.388) 4.777 9.414 ( -0.694 0.000 2.157) 2.266 9.460 ( -9.719 0.000 -5.634) 11.234 9.509 ( 5.408 0.000 -3.500) 6.442 9.534 ( -3.247 0.000 5.081) 6.030 9.769 ( -5.119 0.000 -7.782) 9.315 9.812 ( 3.307 0.000 -6.007) 6.858 9.856 ( -2.816 0.000 -2.063) 3.491 9.957 ( 11.409 0.000 1.260) 11.478 9.976 ( 10.691 0.000 0.218) 10.693 10.095 ( -4.569 0.000 0.753) 4.630 10.112 ( 5.235 0.000 8.857) 10.288 10.136 ( -9.333 0.000 -0.489) 9.346 10.330 ( 8.451 0.000 1.040) 8.515 10.356 ( -2.010 0.000 -7.550) 7.813 10.391 ( 6.451 0.000 -1.010) 6.530 10.412 ( -0.941 0.000 2.947) 3.094 10.451 ( 20.372 0.000 -1.592) 20.434 10.535 ( 14.417 0.000 -2.025) 14.559 10.541 ( 6.469 0.000 -6.722) 9.329 10.669 ( -9.569 0.000 -0.324) 9.575 10.688 ( 2.952 0.000 -1.681) 3.397 10.740 ( 13.095 0.000 -4.518) 13.853 10.816 ( 2.458 0.000 -0.632) 2.538 10.881 ( -11.240 0.000 -0.110) 11.241 10.974 ( 3.786 0.000 1.942) 4.255 11.014 ( -12.535 0.000 1.402) 12.613 11.120 ( -11.901 0.000 2.300) 12.121 11.168 ( -4.687 0.000 0.274) 4.695 11.186 ( 5.716 0.000 -7.688) 9.580 11.314 ( -0.219 0.000 7.179) 7.183 11.392 ( 3.745 0.000 4.395) 5.774 11.443 ( -9.753 0.000 -4.741) 10.845 11.485 ( 3.014 0.000 -1.215) 3.250 11.641 ( 3.498 0.000 -0.629) 3.554 11.743 ( -3.158 0.000 -2.342) 3.932 11.752 ( -7.579 0.000 -9.058) 11.811 11.791 ( 1.103 0.000 -8.759) 8.828 11.892 ( -1.081 0.000 -0.834) 1.365 11.907 ( -12.066 0.000 -2.078) 12.244 12.049 ( -5.525 0.000 2.397) 6.022 12.068 ( -4.897 0.000 2.840) 5.661 12.181 ( -12.195 0.000 -1.364) 12.271 12.194 ( -12.268 0.000 -3.236) 12.687 12.246 ( -1.571 0.000 1.036) 1.882 12.402 ( 7.977 0.000 -6.107) 10.047 12.509 ( -11.639 0.000 8.150) 14.209 12.703 ( 5.029 0.000 -0.271) 5.037 12.738 ( 5.816 0.000 -0.150) 5.818 12.753 ( -7.194 0.000 -2.979) 7.787 12.861 ( -0.613 0.000 2.025) 2.116 12.908 ( 7.244 0.000 5.503) 9.097 12.918 ( -0.608 0.000 0.766) 0.978 12.968 ( 7.049 0.000 1.366) 7.180 13.260 ( -5.880 0.000 8.290) 10.164 13.303 ( 2.801 0.000 -3.333) 4.354 13.444 ( -2.397 0.000 0.341) 2.421 13.449 ( 6.433 0.000 -6.252) 8.970 13.564 ( -4.009 0.000 3.493) 5.317 13.641 ( 0.348 0.000 -0.074) 0.356 13.687 ( 5.196 0.000 -3.660) 6.356 13.706 ( -0.474 0.000 -1.229) 1.317 13.749 ( 2.363 0.000 -1.744) 2.937 13.793 ( 2.258 0.000 -8.923) 9.204 14.284 ( 0.844 0.000 4.037) 4.124 14.295 ( 4.166 0.000 2.430) 4.823 14.407 ( -1.647 0.000 2.957) 3.385 14.473 ( 6.596 0.000 3.110) 7.292 14.503 ( 1.704 0.000 2.068) 2.679 14.659 ( 0.918 0.000 8.730) 8.778 14.665 ( 7.760 0.000 -1.024) 7.827 14.759 ( 10.377 0.000 5.840) 11.907 14.857 ( 5.400 0.000 5.264) 7.541 14.931 ( 4.598 0.000 1.855) 4.958 14.942 ( -2.347 0.000 -2.706) 3.582 15.027 ( -1.001 0.000 -4.494) 4.605 15.149 ( 8.439 0.000 1.418) 8.557 15.201 ( 3.121 0.000 -0.245) 3.130 15.351 ( -4.019 0.000 -1.181) 4.189 15.380 ( -5.589 0.000 -2.449) 6.102 15.552 ( -2.129 0.000 -0.881) 2.304 15.557 ( 2.348 0.000 -0.174) 2.354 15.599 ( -3.505 0.000 3.642) 5.055 15.650 ( -7.743 0.000 3.522) 8.506 15.668 ( -5.419 0.000 6.373) 8.366 15.767 ( 0.749 0.000 -2.881) 2.977 15.825 ( -1.537 0.000 -1.056) 1.865 15.874 ( -1.592 0.000 -1.267) 2.034 15.915 ( 0.036 0.000 -1.722) 1.723 15.960 ( 3.764 0.000 -2.880) 4.739 16.022 ( -10.728 0.000 3.658) 11.335 16.098 ( 13.432 0.000 2.730) 13.707 16.212 ( 2.014 0.000 -0.864) 2.192 16.277 ( -4.203 0.000 1.957) 4.636 16.428 ( 14.718 0.000 -7.981) 16.743 16.513 ( -6.510 0.000 10.231) 12.127 16.527 ( 9.490 0.000 -8.661) 12.849 16.555 ( -5.989 0.000 9.376) 11.126 16.914 ( -4.639 0.000 -7.255) 8.611 16.982 ( -6.326 0.000 -14.092) 15.447 18.624 ( 22.621 0.000 4.451) 23.055 18.639 ( 15.994 0.000 6.674) 17.331 18.709 ( 19.904 0.000 1.078) 19.933 18.914 ( 16.763 0.000 -5.612) 17.677 19.686 ( -0.977 0.000 3.088) 3.239 19.705 ( 3.052 0.000 0.743) 3.141 19.739 ( -9.975 0.000 3.089) 10.443 19.778 ( -2.437 0.000 0.611) 2.513 19.816 ( -6.342 0.000 -1.342) 6.482 19.842 ( -11.653 0.000 1.854) 11.799 19.919 ( -31.516 0.000 0.787) 31.526 19.945 ( -31.540 0.000 -2.707) 31.656 20.407 ( -23.699 0.000 1.992) 23.783 20.423 ( -24.426 0.000 4.164) 24.778 20.505 ( -25.858 0.000 -2.364) 25.966 20.562 ( -25.567 0.000 -2.526) 25.692 25.842 ( 11.659 0.000 4.487) 12.492 25.859 ( 11.564 0.000 4.871) 12.548 26.057 ( 6.874 0.000 -5.200) 8.619 26.069 ( 4.598 0.000 -4.104) 6.163 26.285 ( 0.327 0.000 0.648) 0.726 26.296 ( -2.852 0.000 2.120) 3.553 26.395 ( -0.603 0.000 -2.629) 2.697 26.401 ( -3.472 0.000 -0.456) 3.502 26.558 ( -0.438 0.000 -0.988) 1.081 26.587 ( 1.039 0.000 -1.404) 1.747 26.715 ( 5.345 0.000 -1.086) 5.454 26.717 ( -3.232 0.000 -1.122) 3.421 26.896 ( 8.347 0.000 0.977) 8.404 26.909 ( -0.386 0.000 0.167) 0.420 27.339 ( -11.341 0.000 1.852) 11.491 27.396 ( 6.749 0.000 -0.021) 6.749 27.424 ( 9.075 0.000 4.196) 9.998 27.519 ( -10.839 0.000 -1.090) 10.894 27.695 ( 11.684 0.000 -0.817) 11.713 27.761 ( 12.415 0.000 -4.225) 13.114 27.965 ( -11.429 0.000 1.914) 11.588 27.992 ( -9.386 0.000 0.791) 9.420 28.311 ( -6.810 0.000 4.403) 8.109 28.545 ( -16.001 0.000 -6.372) 17.223 28.729 ( 12.131 0.000 0.272) 12.134 28.746 ( 10.905 0.000 -1.074) 10.957 28.857 ( 7.720 0.000 -4.224) 8.800 28.890 ( 10.415 0.000 -7.517) 12.845 29.272 ( -12.561 0.000 2.475) 12.803 29.341 ( -15.681 0.000 -0.989) 15.713 29.369 ( -13.744 0.000 1.525) 13.829 29.443 ( -16.168 0.000 -2.300) 16.331 30.220 ( 0.156 0.000 5.629) 5.632 30.253 ( -1.436 0.000 2.996) 3.322 30.314 ( 1.073 0.000 0.611) 1.235 30.381 ( -2.302 0.000 0.125) 2.306 30.699 ( 5.287 0.000 0.680) 5.330 30.746 ( 2.209 0.000 -3.479) 4.121 30.847 ( -0.037 0.000 5.337) 5.337 30.904 ( -5.268 0.000 1.560) 5.494 31.070 ( 6.311 0.000 6.321) 8.932 31.205 ( 6.556 0.000 2.511) 7.020 31.208 ( 10.129 0.000 -4.956) 11.277 31.506 ( 14.174 0.000 -8.791) 16.679 31.522 ( -16.038 0.000 9.292) 18.536 31.668 ( -17.287 0.000 7.540) 18.860 31.760 ( -17.940 0.000 -6.537) 19.093 32.193 ( -20.238 0.000 -12.330) 23.698 ======================= Grid point 71 (30/48) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.256 ( -11.876 0.000 5.684) 13.166 3.256 ( 11.876 0.000 5.684) 13.166 3.373 ( -29.749 0.000 3.419) 29.945 3.373 ( 29.749 0.000 3.419) 29.945 3.648 ( -21.029 0.000 -3.930) 21.393 3.648 ( 21.029 0.000 -3.930) 21.393 3.802 ( -17.907 0.000 -9.558) 20.298 3.802 ( 17.907 0.000 -9.558) 20.298 4.566 ( -11.158 0.000 2.037) 11.342 4.566 ( 11.158 0.000 2.037) 11.342 4.644 ( -14.250 0.000 2.475) 14.463 4.644 ( 14.250 0.000 2.475) 14.463 4.897 ( -9.418 0.000 1.778) 9.584 4.897 ( 9.418 0.000 1.778) 9.584 4.935 ( -1.347 0.000 1.346) 1.904 4.935 ( 1.347 0.000 1.346) 1.904 5.127 ( -17.144 0.000 2.650) 17.348 5.127 ( 17.144 0.000 2.650) 17.348 5.172 ( -8.352 0.000 4.265) 9.378 5.172 ( 8.352 0.000 4.265) 9.378 5.427 ( -8.743 0.000 -4.999) 10.071 5.427 ( 8.743 0.000 -4.999) 10.071 5.511 ( -13.206 0.000 -5.332) 14.242 5.511 ( 13.206 0.000 -5.332) 14.242 5.715 ( -9.654 0.000 1.738) 9.809 5.715 ( 9.654 0.000 1.738) 9.809 5.892 ( -5.579 0.000 -4.116) 6.933 5.892 ( 5.579 0.000 -4.116) 6.933 6.198 ( -9.994 0.000 -1.051) 10.049 6.198 ( 9.994 0.000 -1.051) 10.049 6.308 ( -3.516 0.000 6.131) 7.068 6.308 ( 3.516 0.000 6.131) 7.068 6.453 ( -9.734 0.000 -0.956) 9.781 6.453 ( 9.734 0.000 -0.956) 9.781 6.518 ( -14.784 0.000 -4.832) 15.553 6.518 ( 14.784 0.000 -4.832) 15.554 6.763 ( -8.095 0.000 -0.093) 8.096 6.763 ( 8.095 0.000 -0.093) 8.096 6.843 ( -3.594 0.000 2.767) 4.536 6.843 ( 3.594 0.000 2.767) 4.536 6.953 ( -10.392 0.000 6.870) 12.458 6.953 ( 10.393 0.000 6.870) 12.458 6.991 ( -5.731 0.000 8.024) 9.860 6.991 ( 5.731 0.000 8.024) 9.860 7.110 ( -5.375 0.000 -2.383) 5.879 7.110 ( 5.375 0.000 -2.383) 5.879 7.235 ( -7.805 0.000 -11.299) 13.733 7.235 ( 7.805 0.000 -11.300) 13.733 7.463 ( -2.420 0.000 6.179) 6.636 7.463 ( 2.420 0.000 6.179) 6.636 7.562 ( -12.011 0.000 2.031) 12.182 7.562 ( 12.011 0.000 2.031) 12.182 7.723 ( -1.862 0.000 4.706) 5.061 7.723 ( 1.862 0.000 4.706) 5.061 7.750 ( -7.053 0.000 2.030) 7.339 7.750 ( 7.053 0.000 2.030) 7.339 8.029 ( -6.762 0.000 -0.764) 6.805 8.029 ( 6.762 0.000 -0.764) 6.805 8.179 ( -9.754 0.000 -7.497) 12.302 8.179 ( 9.754 0.000 -7.497) 12.302 8.321 ( -3.200 0.000 3.580) 4.802 8.321 ( 3.200 0.000 3.580) 4.802 8.464 ( -2.613 0.000 -7.089) 7.556 8.464 ( 2.613 0.000 -7.089) 7.556 8.568 ( -3.053 0.000 7.088) 7.718 8.568 ( 3.053 0.000 7.088) 7.718 8.735 ( -5.297 0.000 -3.986) 6.629 8.735 ( 5.297 0.000 -3.986) 6.629 8.808 ( -0.362 0.000 1.467) 1.511 8.808 ( 0.362 0.000 1.467) 1.511 8.860 ( -4.113 0.000 6.614) 7.788 8.860 ( 4.113 0.000 6.614) 7.789 9.033 ( -16.387 0.000 -3.230) 16.703 9.033 ( 16.388 0.000 -3.230) 16.703 9.150 ( -12.823 0.000 -5.827) 14.084 9.150 ( 12.823 0.000 -5.827) 14.084 9.168 ( -10.090 0.000 2.880) 10.493 9.168 ( 10.090 0.000 2.880) 10.493 9.488 ( -17.593 0.000 -6.735) 18.838 9.488 ( 17.593 0.000 -6.735) 18.838 9.657 ( -19.421 0.000 3.924) 19.814 9.657 ( 19.421 0.000 3.924) 19.814 9.816 ( -8.908 0.000 0.925) 8.956 9.816 ( 8.908 0.000 0.925) 8.956 10.079 ( -4.180 0.000 3.849) 5.682 10.079 ( 4.180 0.000 3.849) 5.682 10.095 ( -3.359 0.000 1.681) 3.756 10.095 ( 3.359 0.000 1.681) 3.756 10.265 ( -13.780 0.000 -1.612) 13.874 10.265 ( 13.780 0.000 -1.612) 13.874 10.326 ( -4.761 0.000 -2.049) 5.183 10.326 ( 4.762 0.000 -2.049) 5.183 10.598 ( -15.304 0.000 2.521) 15.510 10.598 ( 15.304 0.000 2.521) 15.510 10.624 ( -6.355 0.000 0.121) 6.356 10.624 ( 6.355 0.000 0.121) 6.356 10.736 ( -11.948 0.000 1.739) 12.074 10.736 ( 11.948 0.000 1.739) 12.074 10.737 ( -0.916 0.000 -2.037) 2.234 10.737 ( 0.916 0.000 -2.038) 2.234 10.946 ( -9.536 0.000 -4.723) 10.642 10.946 ( 9.536 0.000 -4.723) 10.642 10.960 ( -7.073 0.000 -2.932) 7.657 10.960 ( 7.073 0.000 -2.932) 7.657 11.176 ( -13.477 0.000 0.602) 13.490 11.176 ( 13.477 0.000 0.602) 13.490 11.374 ( -6.609 0.000 -5.342) 8.498 11.374 ( 6.609 0.000 -5.342) 8.498 11.524 ( -17.131 0.000 -1.490) 17.196 11.524 ( 17.131 0.000 -1.490) 17.196 11.613 ( -10.927 0.000 -4.733) 11.908 11.613 ( 10.927 0.000 -4.733) 11.908 11.749 ( -10.731 0.000 -1.245) 10.803 11.749 ( 10.731 0.000 -1.245) 10.803 11.793 ( -2.284 0.000 -2.774) 3.593 11.793 ( 2.284 0.000 -2.774) 3.593 11.980 ( -1.297 0.000 -0.038) 1.298 11.980 ( 1.297 0.000 -0.038) 1.298 12.038 ( -3.812 0.000 -2.534) 4.577 12.038 ( 3.812 0.000 -2.534) 4.577 12.343 ( -7.271 0.000 5.933) 9.384 12.343 ( 7.271 0.000 5.933) 9.384 12.577 ( -9.722 0.000 -5.055) 10.957 12.577 ( 9.722 0.000 -5.055) 10.957 12.784 ( -3.933 0.000 1.073) 4.077 12.784 ( 3.933 0.000 1.073) 4.077 12.826 ( -4.657 0.000 -0.860) 4.736 12.826 ( 4.657 0.000 -0.860) 4.736 13.106 ( -9.771 0.000 7.496) 12.315 13.106 ( 9.771 0.000 7.496) 12.315 13.191 ( -10.500 0.000 2.425) 10.776 13.191 ( 10.500 0.000 2.425) 10.776 13.480 ( -3.976 0.000 -0.081) 3.977 13.480 ( 3.976 0.000 -0.081) 3.977 13.572 ( -5.702 0.000 -5.758) 8.103 13.572 ( 5.702 0.000 -5.758) 8.103 13.780 ( -5.582 0.000 -2.619) 6.166 13.780 ( 5.582 0.000 -2.619) 6.166 13.784 ( -1.774 0.000 -3.190) 3.650 13.784 ( 1.774 0.000 -3.190) 3.650 14.327 ( -4.544 0.000 3.767) 5.902 14.327 ( 4.544 0.000 3.767) 5.903 14.434 ( -8.117 0.000 -2.263) 8.426 14.434 ( 8.117 0.000 -2.263) 8.426 14.595 ( -5.517 0.000 8.279) 9.949 14.595 ( 5.517 0.000 8.279) 9.949 14.807 ( -6.131 0.000 0.325) 6.140 14.807 ( 6.131 0.000 0.325) 6.140 14.943 ( -2.549 0.000 3.853) 4.620 14.943 ( 2.549 0.000 3.853) 4.620 14.959 ( -5.600 0.000 0.220) 5.604 14.959 ( 5.600 0.000 0.220) 5.604 15.279 ( -4.773 0.000 -0.235) 4.779 15.279 ( 4.773 0.000 -0.235) 4.779 15.284 ( -4.087 0.000 -0.023) 4.087 15.284 ( 4.087 0.000 -0.023) 4.087 15.546 ( -0.144 0.000 5.802) 5.803 15.546 ( 0.144 0.000 5.802) 5.803 15.550 ( -2.270 0.000 2.154) 3.129 15.550 ( 2.270 0.000 2.154) 3.129 15.713 ( -8.300 0.000 -0.408) 8.310 15.713 ( 8.300 0.000 -0.408) 8.310 15.800 ( -3.451 0.000 -2.460) 4.238 15.800 ( 3.451 0.000 -2.460) 4.238 15.909 ( -1.527 0.000 0.578) 1.633 15.909 ( 1.527 0.000 0.578) 1.633 16.071 ( -7.826 0.000 -5.936) 9.822 16.071 ( 7.826 0.000 -5.936) 9.822 16.360 ( -8.889 0.000 7.448) 11.597 16.360 ( 8.889 0.000 7.448) 11.597 16.404 ( -8.886 0.000 8.249) 12.124 16.404 ( 8.886 0.000 8.249) 12.124 16.677 ( -6.237 0.000 -7.999) 10.143 16.677 ( 6.237 0.000 -7.999) 10.143 16.822 ( -5.956 0.000 -11.469) 12.923 16.822 ( 5.956 0.000 -11.469) 12.923 19.097 ( -29.428 0.000 7.791) 30.442 19.097 ( 29.428 0.000 7.791) 30.442 19.159 ( -31.380 0.000 4.976) 31.772 19.159 ( 31.380 0.000 4.976) 31.772 19.244 ( -31.756 0.000 1.294) 31.782 19.244 ( 31.756 0.000 1.294) 31.782 19.355 ( -27.712 0.000 -4.373) 28.055 19.355 ( 27.712 0.000 -4.373) 28.055 19.997 ( -17.916 0.000 0.874) 17.938 19.997 ( 17.916 0.000 0.874) 17.938 19.998 ( -19.062 0.000 2.695) 19.252 19.998 ( 19.062 0.000 2.695) 19.252 20.072 ( -18.285 0.000 -2.563) 18.464 20.072 ( 18.285 0.000 -2.563) 18.464 20.116 ( -19.980 0.000 -2.870) 20.185 20.116 ( 19.980 0.000 -2.870) 20.185 26.031 ( -7.314 0.000 3.162) 7.968 26.031 ( 7.314 0.000 3.162) 7.968 26.044 ( -6.984 0.000 3.004) 7.603 26.044 ( 6.984 0.000 3.004) 7.603 26.326 ( -4.822 0.000 -4.133) 6.351 26.326 ( 4.822 0.000 -4.133) 6.351 26.331 ( -3.848 0.000 -3.705) 5.342 26.331 ( 3.848 0.000 -3.705) 5.342 26.607 ( -5.277 0.000 0.869) 5.348 26.607 ( 5.277 0.000 0.869) 5.348 26.670 ( -5.922 0.000 -2.045) 6.265 26.670 ( 5.922 0.000 -2.045) 6.265 27.073 ( -13.603 0.000 2.621) 13.853 27.073 ( 13.603 0.000 2.621) 13.853 27.163 ( -16.494 0.000 -1.579) 16.569 27.163 ( 16.494 0.000 -1.579) 16.569 27.648 ( -12.244 0.000 1.303) 12.314 27.648 ( 12.244 0.000 1.303) 12.314 27.664 ( -12.328 0.000 0.193) 12.330 27.664 ( 12.328 0.000 0.193) 12.330 28.049 ( -15.534 0.000 2.195) 15.688 28.049 ( 15.534 0.000 2.195) 15.688 28.183 ( -18.686 0.000 -3.999) 19.109 28.183 ( 18.686 0.000 -3.999) 19.109 28.998 ( -10.978 0.000 -0.128) 10.979 28.998 ( 10.978 0.000 -0.128) 10.979 29.014 ( -13.641 0.000 -0.840) 13.667 29.014 ( 13.641 0.000 -0.840) 13.667 29.127 ( -9.384 0.000 -1.788) 9.553 29.127 ( 9.384 0.000 -1.788) 9.553 29.133 ( -13.388 0.000 -1.767) 13.504 29.133 ( 13.388 0.000 -1.767) 13.504 30.230 ( -0.873 0.000 4.184) 4.274 30.230 ( 0.873 0.000 4.184) 4.274 30.342 ( -1.797 0.000 0.261) 1.815 30.342 ( 1.797 0.000 0.261) 1.815 30.796 ( -4.430 0.000 2.206) 4.949 30.796 ( 4.430 0.000 2.206) 4.949 30.809 ( -4.252 0.000 -0.679) 4.306 30.809 ( 4.252 0.000 -0.679) 4.306 31.242 ( -11.362 0.000 6.710) 13.196 31.242 ( 11.362 0.000 6.710) 13.196 31.395 ( -11.273 0.000 6.429) 12.978 31.395 ( 11.273 0.000 6.429) 12.978 31.440 ( -13.862 0.000 -6.039) 15.120 31.440 ( 13.862 0.000 -6.039) 15.120 31.827 ( -17.501 0.000 -10.473) 20.395 31.827 ( 17.501 0.000 -10.473) 20.395 ======================= Grid point 77 (31/48) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 0.000 10.172 42.199) 43.407 2.070 ( 0.000 19.409 40.774) 45.158 2.234 ( 0.000 -29.589 25.899) 39.323 2.520 ( 0.000 -27.642 31.564) 41.956 3.020 ( 0.000 22.753 29.463) 37.226 3.140 ( 0.000 4.057 -16.403) 16.897 3.353 ( 0.000 10.263 -0.664) 10.284 3.573 ( 0.000 9.666 16.960) 19.521 3.593 ( 0.000 -3.783 -5.785) 6.913 3.595 ( 0.000 13.722 -31.184) 34.070 3.726 ( 0.000 15.343 10.086) 18.361 3.745 ( 0.000 -17.742 16.777) 24.418 4.054 ( 0.000 7.205 -7.299) 10.256 4.147 ( 0.000 -6.147 11.243) 12.814 4.263 ( 0.000 -6.582 -6.022) 8.921 4.276 ( 0.000 -17.100 -5.016) 17.820 4.411 ( 0.000 -2.255 -9.555) 9.818 4.467 ( 0.000 -2.104 -9.521) 9.750 4.717 ( 0.000 -0.781 -3.601) 3.684 4.735 ( 0.000 -0.413 2.234) 2.272 4.806 ( 0.000 0.077 8.135) 8.135 4.874 ( 0.000 -6.143 18.857) 19.833 5.090 ( 0.000 1.157 -3.521) 3.706 5.159 ( 0.000 -7.537 10.176) 12.663 5.428 ( 0.000 4.156 -1.501) 4.419 5.469 ( 0.000 0.891 -7.823) 7.874 5.588 ( 0.000 -0.454 -8.843) 8.854 5.610 ( 0.000 1.600 -4.084) 4.386 5.823 ( 0.000 -0.093 -2.873) 2.875 5.859 ( 0.000 -3.300 -2.753) 4.298 5.884 ( 0.000 -0.980 3.138) 3.288 5.919 ( 0.000 -3.431 -3.876) 5.176 6.036 ( 0.000 0.966 -0.011) 0.966 6.071 ( 0.000 -1.359 -8.522) 8.630 6.205 ( 0.000 6.037 -6.558) 8.914 6.296 ( 0.000 -3.592 -4.127) 5.471 6.389 ( 0.000 5.730 1.228) 5.860 6.427 ( 0.000 1.750 0.017) 1.750 6.440 ( 0.000 5.329 -3.267) 6.251 6.599 ( 0.000 16.992 -3.762) 17.403 6.617 ( 0.000 -11.996 1.997) 12.161 6.656 ( 0.000 12.137 1.715) 12.258 6.754 ( 0.000 -0.539 -1.028) 1.161 6.774 ( 0.000 3.020 5.295) 6.095 6.939 ( 0.000 -2.907 -4.503) 5.359 6.953 ( 0.000 -4.788 3.940) 6.200 7.022 ( 0.000 3.036 -4.532) 5.455 7.033 ( 0.000 5.357 15.119) 16.040 7.127 ( 0.000 -0.021 -11.585) 11.585 7.232 ( 0.000 0.281 -5.375) 5.382 7.253 ( 0.000 -4.557 11.903) 12.745 7.328 ( 0.000 -7.134 5.344) 8.913 7.415 ( 0.000 -0.673 8.600) 8.627 7.470 ( 0.000 -4.697 8.893) 10.058 7.708 ( 0.000 -1.474 -11.509) 11.603 7.721 ( 0.000 -5.311 -7.486) 9.179 7.934 ( 0.000 0.943 -13.561) 13.594 7.950 ( 0.000 0.014 -14.076) 14.076 8.028 ( 0.000 7.367 -16.849) 18.390 8.097 ( 0.000 -2.143 -1.124) 2.420 8.166 ( 0.000 0.000 -5.582) 5.582 8.235 ( 0.000 -4.779 -12.010) 12.926 8.341 ( 0.000 0.963 -7.102) 7.167 8.377 ( 0.000 -2.438 -4.598) 5.205 8.549 ( 0.000 1.340 -0.496) 1.429 8.614 ( 0.000 -6.527 3.119) 7.233 8.621 ( 0.000 8.112 -6.898) 10.648 8.782 ( 0.000 -8.595 -4.848) 9.868 8.943 ( 0.000 10.331 9.172) 13.815 8.990 ( 0.000 4.099 6.445) 7.638 9.066 ( 0.000 -4.337 11.695) 12.473 9.112 ( 0.000 -5.475 8.101) 9.777 9.254 ( 0.000 5.442 9.999) 11.384 9.337 ( 0.000 -2.330 4.298) 4.889 9.390 ( 0.000 4.718 3.563) 5.912 9.440 ( 0.000 16.628 -5.556) 17.532 9.526 ( 0.000 -8.563 3.636) 9.303 9.569 ( 0.000 3.957 -1.863) 4.374 9.661 ( 0.000 -2.732 -0.985) 2.905 9.680 ( 0.000 4.712 -2.073) 5.148 9.708 ( 0.000 1.444 7.747) 7.881 9.802 ( 0.000 4.750 7.669) 9.021 9.803 ( 0.000 4.052 2.967) 5.022 9.878 ( 0.000 -6.005 -1.607) 6.216 9.955 ( 0.000 -7.493 -3.167) 8.135 9.982 ( 0.000 -10.914 2.341) 11.162 10.102 ( 0.000 2.076 -2.231) 3.048 10.137 ( 0.000 -2.116 -2.644) 3.386 10.171 ( 0.000 2.292 4.376) 4.940 10.248 ( 0.000 -4.229 -1.020) 4.350 10.322 ( 0.000 0.974 -0.105) 0.979 10.338 ( 0.000 -0.582 0.026) 0.583 10.507 ( 0.000 1.157 -5.963) 6.074 10.523 ( 0.000 8.432 -1.144) 8.509 10.531 ( 0.000 -1.602 0.749) 1.768 10.604 ( 0.000 0.269 7.475) 7.479 10.690 ( 0.000 0.567 7.247) 7.269 10.697 ( 0.000 0.319 6.294) 6.302 10.859 ( 0.000 -2.844 -5.699) 6.369 10.886 ( 0.000 -3.862 2.912) 4.837 11.012 ( 0.000 0.874 -7.339) 7.391 11.014 ( 0.000 -1.382 -1.901) 2.350 11.098 ( 0.000 0.152 -7.532) 7.533 11.129 ( 0.000 -2.607 -1.054) 2.812 11.226 ( 0.000 5.541 -3.661) 6.641 11.319 ( 0.000 1.537 -8.359) 8.500 11.355 ( 0.000 -5.878 -7.068) 9.192 11.360 ( 0.000 -1.515 -5.930) 6.121 11.442 ( 0.000 8.575 1.766) 8.755 11.561 ( 0.000 -1.935 -1.336) 2.351 11.571 ( 0.000 6.441 -3.790) 7.473 11.630 ( 0.000 1.677 -5.135) 5.402 11.695 ( 0.000 -3.008 -4.540) 5.446 11.707 ( 0.000 -6.851 2.743) 7.379 11.889 ( 0.000 2.735 -7.053) 7.565 11.945 ( 0.000 1.720 3.742) 4.118 12.001 ( 0.000 -1.771 1.161) 2.118 12.020 ( 0.000 -7.533 -5.476) 9.313 12.176 ( 0.000 -0.387 -2.109) 2.144 12.207 ( 0.000 -1.815 -3.784) 4.196 12.286 ( 0.000 6.452 0.835) 6.505 12.394 ( 0.000 -4.792 3.169) 5.745 12.457 ( 0.000 6.727 -6.257) 9.187 12.566 ( 0.000 -4.584 -4.105) 6.154 12.691 ( 0.000 4.501 5.101) 6.802 12.752 ( 0.000 -1.354 3.346) 3.610 12.827 ( 0.000 2.443 -0.018) 2.443 12.844 ( 0.000 0.729 -2.448) 2.554 13.032 ( 0.000 2.368 4.355) 4.957 13.145 ( 0.000 -9.192 4.830) 10.383 13.172 ( 0.000 3.587 -3.879) 5.283 13.231 ( 0.000 -0.050 1.646) 1.647 13.330 ( 0.000 0.650 0.466) 0.800 13.416 ( 0.000 -6.730 2.706) 7.253 13.461 ( 0.000 3.361 -2.651) 4.281 13.537 ( 0.000 -3.914 -1.596) 4.227 13.569 ( 0.000 7.649 4.418) 8.834 13.740 ( 0.000 -10.635 3.677) 11.253 13.786 ( 0.000 6.601 -3.070) 7.280 13.899 ( 0.000 -4.551 -0.125) 4.553 13.984 ( 0.000 6.067 10.374) 12.017 14.031 ( 0.000 3.395 3.120) 4.611 14.101 ( 0.000 -4.674 3.979) 6.138 14.105 ( 0.000 -3.202 2.673) 4.171 14.229 ( 0.000 0.787 4.896) 4.959 14.239 ( 0.000 0.576 2.579) 2.642 14.309 ( 0.000 9.643 -2.579) 9.981 14.346 ( 0.000 11.936 -3.066) 12.323 14.469 ( 0.000 -6.174 -1.089) 6.269 14.572 ( 0.000 -9.278 -2.874) 9.712 14.602 ( 0.000 1.986 -9.410) 9.617 14.688 ( 0.000 -8.081 -9.211) 12.253 15.049 ( 0.000 8.227 7.370) 11.046 15.154 ( 0.000 -0.857 2.499) 2.642 15.162 ( 0.000 1.244 -1.768) 2.162 15.233 ( 0.000 -6.063 -0.178) 6.065 15.366 ( 0.000 -0.922 6.405) 6.471 15.380 ( 0.000 -0.634 5.844) 5.878 15.431 ( 0.000 1.207 3.153) 3.376 15.448 ( 0.000 -0.013 2.094) 2.094 15.473 ( 0.000 2.211 -0.318) 2.233 15.550 ( 0.000 -5.935 -0.259) 5.941 15.757 ( 0.000 1.239 -6.502) 6.619 15.773 ( 0.000 -0.801 -4.048) 4.126 15.831 ( 0.000 0.192 3.734) 3.739 15.846 ( 0.000 -0.939 1.899) 2.118 15.964 ( 0.000 0.537 0.413) 0.678 15.977 ( 0.000 -1.046 -1.740) 2.030 16.446 ( 0.000 2.136 9.153) 9.399 16.493 ( 0.000 -2.564 5.941) 6.470 16.574 ( 0.000 1.754 1.648) 2.407 16.619 ( 0.000 -3.593 1.561) 3.918 16.922 ( 0.000 3.444 6.054) 6.964 16.980 ( 0.000 -2.974 9.962) 10.396 17.089 ( 0.000 5.957 -2.564) 6.485 17.148 ( 0.000 -0.505 2.028) 2.090 18.616 ( 0.000 0.778 -5.368) 5.424 18.669 ( 0.000 -4.452 1.240) 4.622 18.787 ( 0.000 6.901 -9.619) 11.839 18.919 ( 0.000 -6.594 -8.500) 10.758 19.602 ( 0.000 1.902 0.558) 1.982 19.639 ( 0.000 -1.880 0.486) 1.942 19.697 ( 0.000 3.191 -4.927) 5.870 19.750 ( 0.000 -2.127 -5.822) 6.199 21.302 ( 0.000 0.816 4.937) 5.004 21.318 ( 0.000 -0.634 3.438) 3.496 21.393 ( 0.000 1.119 0.643) 1.291 21.424 ( 0.000 -1.849 -1.084) 2.143 21.682 ( 0.000 2.633 5.324) 5.940 21.740 ( 0.000 -3.320 3.289) 4.673 21.867 ( 0.000 0.156 -3.574) 3.577 21.871 ( 0.000 -0.140 -2.832) 2.836 24.993 ( 0.000 -0.004 0.136) 0.136 24.993 ( 0.000 0.005 0.159) 0.160 25.000 ( 0.000 0.021 -0.222) 0.223 25.001 ( 0.000 -0.032 -0.220) 0.222 26.241 ( 0.000 1.220 3.679) 3.875 26.265 ( 0.000 -1.195 1.303) 1.768 26.298 ( 0.000 1.730 0.217) 1.744 26.340 ( 0.000 -2.263 0.251) 2.277 26.527 ( 0.000 1.328 9.618) 9.709 26.571 ( 0.000 -3.201 4.202) 5.283 26.707 ( 0.000 0.880 -2.751) 2.889 26.731 ( 0.000 -1.697 -1.122) 2.034 26.785 ( 0.000 2.820 3.555) 4.538 26.897 ( 0.000 -11.206 6.579) 12.995 26.957 ( 0.000 6.229 -4.748) 7.832 27.086 ( 0.000 -7.574 -3.607) 8.389 27.301 ( 0.000 0.625 2.571) 2.646 27.312 ( 0.000 -0.580 1.816) 1.906 27.369 ( 0.000 0.604 -0.673) 0.904 27.380 ( 0.000 -0.534 -1.037) 1.166 27.604 ( 0.000 15.911 4.459) 16.524 27.930 ( 0.000 -18.145 6.092) 19.140 27.936 ( 0.000 29.136 -15.272) 32.895 28.310 ( 0.000 -10.637 -13.835) 17.452 29.178 ( 0.000 9.839 0.905) 9.880 29.363 ( 0.000 3.826 -8.697) 9.501 29.381 ( 0.000 -10.620 0.727) 10.645 29.449 ( 0.000 -4.880 -2.915) 5.685 30.023 ( 0.000 0.805 6.639) 6.687 30.042 ( 0.000 -1.185 3.762) 3.944 30.108 ( 0.000 2.622 -0.707) 2.715 30.156 ( 0.000 -2.300 -1.159) 2.576 30.267 ( 0.000 3.129 8.464) 9.024 30.295 ( 0.000 0.212 4.659) 4.664 30.352 ( 0.000 2.985 1.566) 3.371 30.441 ( 0.000 -6.851 3.489) 7.689 30.662 ( 0.000 0.977 1.118) 1.485 30.680 ( 0.000 -0.707 3.172) 3.250 30.694 ( 0.000 -0.230 1.855) 1.869 30.696 ( 0.000 -0.255 1.439) 1.462 30.985 ( 0.000 16.842 -5.570) 17.739 31.063 ( 0.000 5.587 -5.394) 7.766 31.167 ( 0.000 -7.765 -0.602) 7.788 31.263 ( 0.000 -8.989 -4.964) 10.268 33.044 ( 0.000 6.185 2.960) 6.856 33.216 ( 0.000 -10.869 3.116) 11.307 33.290 ( 0.000 7.024 -9.943) 12.174 33.411 ( 0.000 -5.087 -7.890) 9.387 ======================= Grid point 78 (32/48) ======================= q-point: ( 0.10 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -0.576 3.324 41.608) 41.745 2.062 ( -8.282 -26.371 23.642) 36.372 2.406 ( 26.150 15.434 38.157) 48.765 2.743 ( 17.338 -18.202 27.363) 37.157 3.184 ( 9.656 30.193 41.152) 51.945 3.193 ( -1.899 14.207 -21.049) 25.466 3.334 ( 5.138 -3.975 -26.553) 27.336 3.546 ( 3.237 1.190 6.078) 6.988 3.613 ( 11.004 2.443 2.238) 11.492 3.763 ( 10.173 -7.958 11.663) 17.402 3.895 ( 18.288 11.553 14.747) 26.180 4.065 ( 22.394 1.515 -14.595) 26.773 4.274 ( 16.854 -10.269 -8.163) 21.358 4.338 ( 12.318 -8.983 7.916) 17.178 4.437 ( 17.332 6.080 -14.818) 23.600 4.487 ( 10.040 0.192 -4.494) 11.001 4.594 ( 15.962 -6.106 -7.090) 18.502 4.632 ( 17.881 -1.433 -8.110) 19.687 4.744 ( 10.725 -1.905 -2.819) 11.252 4.796 ( 6.500 -9.384 -1.835) 11.561 4.947 ( 18.741 0.420 7.018) 20.016 4.962 ( 11.835 -1.355 11.591) 16.621 5.131 ( 9.194 1.492 -0.287) 9.319 5.210 ( 5.235 -8.903 5.987) 11.938 5.457 ( 3.727 0.530 -0.850) 3.859 5.494 ( 0.089 -3.501 -0.788) 3.590 5.631 ( 1.248 5.850 7.566) 9.645 5.693 ( 8.705 2.328 0.615) 9.032 5.780 ( 7.118 -0.031 -6.320) 9.519 5.829 ( 0.145 -6.328 2.167) 6.691 5.958 ( -0.388 11.063 -0.566) 11.085 6.107 ( 6.546 -2.259 4.500) 8.259 6.116 ( 0.733 -1.424 -2.418) 2.901 6.145 ( 5.683 -3.816 -3.474) 7.676 6.261 ( -3.685 1.562 -4.047) 5.692 6.273 ( 9.912 1.123 -8.355) 13.012 6.312 ( -2.509 0.202 -7.634) 8.038 6.382 ( 1.223 6.780 -9.556) 11.781 6.401 ( -6.210 -3.260 0.898) 7.071 6.467 ( -1.830 -0.693 -6.325) 6.621 6.588 ( -2.564 4.680 2.570) 5.923 6.651 ( -5.793 -3.938 3.788) 7.963 6.735 ( 4.566 14.512 -3.004) 15.507 6.797 ( 0.762 5.469 8.829) 10.414 6.927 ( -1.667 3.826 6.031) 7.334 6.954 ( 2.159 -0.442 2.988) 3.713 7.033 ( 3.645 -0.243 2.914) 4.672 7.162 ( 5.311 -2.884 4.084) 7.294 7.175 ( 6.909 -1.231 -4.555) 8.366 7.263 ( 2.298 -2.534 -3.755) 5.080 7.368 ( 8.429 2.687 5.982) 10.679 7.448 ( 9.330 -1.348 3.187) 9.951 7.486 ( 7.773 -1.661 -1.206) 8.039 7.528 ( 7.338 -5.595 4.810) 10.406 7.678 ( -2.933 -0.970 -9.050) 9.562 7.719 ( 0.157 -6.294 -4.428) 7.697 7.926 ( -1.514 3.346 -12.149) 12.692 7.958 ( 1.591 -1.588 -8.481) 8.774 8.055 ( 0.670 0.366 -7.229) 7.270 8.081 ( -1.610 -4.165 -4.816) 6.568 8.211 ( 6.284 4.439 -8.029) 11.120 8.295 ( 3.495 -3.111 -9.469) 10.562 8.355 ( 0.852 0.736 -5.864) 5.971 8.370 ( 0.633 -1.588 -3.108) 3.547 8.537 ( -2.653 1.647 -0.948) 3.263 8.574 ( -3.495 2.572 -3.637) 5.662 8.611 ( -1.714 0.171 -2.191) 2.787 8.734 ( -4.695 -6.516 -4.423) 9.168 8.844 ( -8.802 8.165 6.317) 13.566 8.902 ( -6.951 2.288 6.402) 9.722 8.936 ( -10.942 -0.803 8.774) 14.049 9.028 ( -6.545 -7.985 8.259) 13.222 9.223 ( -12.633 1.936 4.331) 13.494 9.274 ( -9.885 0.531 7.572) 12.464 9.282 ( -5.372 2.465 5.013) 7.750 9.379 ( -1.425 -0.976 3.102) 3.550 9.420 ( -5.724 10.305 -2.095) 11.973 9.501 ( -3.396 1.365 -2.532) 4.450 9.573 ( -5.994 -1.006 3.787) 7.160 9.624 ( -6.987 1.172 2.893) 7.653 9.710 ( 0.926 5.808 2.908) 6.561 9.756 ( -6.688 1.183 1.625) 6.984 9.804 ( -4.051 1.898 2.498) 5.124 9.855 ( -2.128 -2.776 1.047) 3.651 9.902 ( -4.565 -0.967 -3.762) 5.994 9.947 ( -6.316 -3.114 -2.380) 7.433 9.982 ( -4.641 -2.440 0.436) 5.262 10.061 ( -4.738 -7.113 -0.959) 8.600 10.140 ( -4.955 4.006 0.618) 6.402 10.223 ( -0.722 2.349 -1.938) 3.130 10.244 ( -7.382 -3.105 0.581) 8.029 10.323 ( -2.169 -3.887 -3.685) 5.778 10.479 ( -0.443 4.498 -2.255) 5.051 10.562 ( -1.756 1.076 -0.044) 2.060 10.573 ( 4.716 -2.626 -1.562) 5.619 10.618 ( 1.752 -2.696 4.637) 5.642 10.695 ( 1.178 -1.169 6.909) 7.106 10.715 ( 0.584 -2.161 4.640) 5.152 10.823 ( -8.342 2.592 -0.134) 8.737 10.868 ( -0.259 -2.107 -1.600) 2.658 10.973 ( 0.593 3.197 -1.834) 3.733 11.056 ( 4.870 -4.139 -3.426) 7.252 11.099 ( -2.178 -0.526 -0.878) 2.407 11.117 ( 1.676 -1.642 -1.495) 2.782 11.245 ( 0.254 2.550 -3.166) 4.073 11.282 ( -3.207 -1.294 -6.236) 7.131 11.370 ( 1.540 2.070 -4.206) 4.934 11.426 ( 0.787 -0.892 -6.229) 6.341 11.469 ( 5.071 9.466 -1.282) 10.815 11.588 ( 2.135 8.180 -2.494) 8.815 11.660 ( 5.489 -6.336 2.951) 8.888 11.701 ( 6.087 -1.992 -3.516) 7.306 11.715 ( 3.522 0.145 -1.227) 3.732 11.780 ( 9.770 -5.176 -3.427) 11.575 11.896 ( -0.980 -1.234 -6.498) 6.687 11.942 ( 0.615 -2.066 -1.601) 2.685 11.988 ( 0.124 -0.893 0.590) 1.077 12.021 ( 1.460 -2.773 2.429) 3.965 12.166 ( -0.554 2.981 -1.759) 3.506 12.202 ( 0.472 2.763 0.979) 2.969 12.257 ( -1.440 2.947 -1.766) 3.725 12.390 ( -0.055 -6.753 0.872) 6.809 12.466 ( -0.862 5.479 -6.345) 8.428 12.531 ( -0.546 2.041 -1.755) 2.747 12.666 ( -0.561 -0.335 -0.237) 0.695 12.730 ( -1.429 -1.316 1.159) 2.262 12.807 ( -2.503 -1.004 -0.931) 2.853 12.867 ( -0.494 -4.086 -1.742) 4.469 13.115 ( 5.251 4.506 2.323) 7.299 13.173 ( 5.862 0.429 2.891) 6.550 13.206 ( -3.704 2.942 0.035) 4.730 13.313 ( -3.260 -4.598 -0.370) 5.648 13.363 ( 9.147 2.779 2.560) 9.897 13.458 ( 7.480 -4.708 0.790) 8.874 13.498 ( 5.482 3.418 -2.000) 6.763 13.560 ( 2.217 -3.480 -1.840) 4.518 13.684 ( 7.424 4.081 6.445) 10.645 13.801 ( 7.575 -4.203 4.234) 9.642 13.833 ( 1.680 2.303 -0.740) 2.945 13.925 ( -2.841 -2.816 2.699) 4.825 13.966 ( 2.143 2.331 2.497) 4.032 14.046 ( 0.684 -1.023 4.179) 4.356 14.073 ( -1.798 -0.271 3.392) 3.849 14.120 ( 3.649 -2.887 4.449) 6.438 14.257 ( -1.072 4.173 4.262) 6.060 14.276 ( 4.473 2.090 6.372) 8.061 14.347 ( 4.892 2.942 4.063) 7.006 14.423 ( 7.189 6.689 -2.717) 10.188 14.519 ( -1.191 -7.492 2.844) 8.101 14.588 ( 7.581 0.674 -5.768) 9.549 14.639 ( 4.656 -3.935 -4.926) 7.837 14.726 ( 4.374 -5.713 -10.052) 12.362 15.071 ( 1.246 6.152 3.241) 7.064 15.123 ( -1.146 -1.041 0.681) 1.691 15.157 ( 1.708 4.333 -1.304) 4.836 15.232 ( 0.213 -0.832 -2.902) 3.027 15.306 ( 0.049 0.807 1.681) 1.865 15.358 ( -0.320 -3.563 3.956) 5.333 15.426 ( -1.439 1.474 -0.548) 2.132 15.457 ( -0.489 -1.802 0.694) 1.992 15.541 ( 5.482 3.991 -1.521) 6.949 15.626 ( 5.475 -4.609 -2.278) 7.510 15.751 ( -0.318 0.800 -6.089) 6.149 15.778 ( 1.716 -1.363 -6.312) 6.682 15.886 ( 3.598 0.273 6.074) 7.065 15.896 ( 5.204 -0.957 4.904) 7.214 16.079 ( 7.276 0.872 -3.692) 8.205 16.086 ( 9.480 0.339 -2.543) 9.821 16.388 ( -6.278 0.640 7.622) 9.896 16.425 ( -4.854 -2.767 6.469) 8.548 16.538 ( -2.877 1.710 0.644) 3.408 16.585 ( -4.821 -3.170 -0.138) 5.771 16.912 ( -2.651 -0.087 4.869) 5.544 16.933 ( -3.805 -1.916 8.347) 9.371 17.062 ( -2.279 3.644 -2.814) 5.137 17.087 ( -5.704 0.640 2.050) 6.095 18.527 ( -7.528 3.962 -1.888) 8.714 18.636 ( -3.228 -6.732 -0.257) 7.470 18.739 ( -5.525 5.153 -9.766) 12.347 18.854 ( -6.541 -5.914 -8.451) 12.214 19.587 ( -1.379 1.633 0.317) 2.161 19.622 ( -1.616 -1.780 0.257) 2.418 19.659 ( -3.027 3.531 -3.692) 5.938 19.718 ( -2.874 -2.433 -5.343) 6.537 21.200 ( -10.674 0.871 5.369) 11.980 21.220 ( -10.564 -1.216 3.934) 11.338 21.280 ( -11.017 2.175 1.078) 11.281 21.325 ( -10.421 -2.389 -0.774) 10.720 21.587 ( -9.821 2.594 5.304) 11.459 21.638 ( -10.417 -2.503 3.714) 11.340 21.776 ( -9.779 -0.075 -3.147) 10.273 21.780 ( -9.700 -0.369 -2.965) 10.150 25.092 ( 9.448 0.027 1.185) 9.522 25.093 ( 9.274 -0.039 0.997) 9.327 25.169 ( 16.017 1.141 -3.301) 16.393 25.197 ( 17.962 -1.653 -5.306) 18.802 26.254 ( 1.413 1.698 3.123) 3.826 26.290 ( 2.463 -1.782 1.106) 3.235 26.312 ( 1.414 0.167 0.496) 1.507 26.322 ( -1.093 -0.675 0.834) 1.532 26.516 ( -1.166 1.540 9.616) 9.808 26.563 ( -0.967 -3.168 5.709) 6.601 26.713 ( 0.326 1.415 -2.825) 3.177 26.748 ( 0.530 -2.457 -2.261) 3.380 26.841 ( 5.304 1.532 2.320) 5.988 26.896 ( 1.901 -4.634 5.642) 7.544 26.979 ( 2.426 4.291 -3.814) 6.232 27.094 ( 1.367 -6.918 -3.811) 8.016 27.379 ( 4.502 4.244 2.403) 6.637 27.405 ( 5.904 1.313 0.974) 6.126 27.460 ( 7.032 0.476 -0.749) 7.088 27.477 ( 9.995 -0.827 -1.047) 10.084 27.639 ( 5.834 10.528 4.154) 12.734 27.869 ( -1.758 -5.474 1.860) 6.043 28.027 ( 6.719 9.310 -12.806) 17.200 28.295 ( -0.967 -10.477 -14.232) 17.699 29.098 ( -8.152 11.240 0.822) 13.909 29.264 ( -9.596 4.864 -6.461) 12.550 29.325 ( -6.286 -10.182 -0.871) 11.998 29.383 ( -6.947 -5.831 -3.565) 9.745 29.950 ( -7.067 1.959 6.882) 10.057 29.988 ( -5.638 -2.040 3.674) 7.032 30.057 ( -5.470 2.127 -0.595) 5.899 30.094 ( -6.220 -1.674 -0.981) 6.515 30.262 ( -0.427 2.347 8.046) 8.392 30.287 ( -0.584 -0.420 3.893) 3.959 30.349 ( -0.256 2.527 0.990) 2.726 30.427 ( -1.155 -6.265 2.570) 6.870 30.666 ( 0.585 3.692 2.389) 4.436 30.700 ( 2.220 0.226 3.270) 3.959 30.725 ( 3.391 -0.290 2.288) 4.101 30.752 ( 4.416 -2.835 1.207) 5.385 30.968 ( -1.763 16.351 -6.202) 17.577 31.037 ( -2.024 5.485 -5.523) 8.043 31.144 ( -2.164 -7.861 -1.036) 8.219 31.240 ( -2.316 -8.891 -5.107) 10.511 32.814 ( -21.858 4.494 8.852) 24.007 32.942 ( -23.894 -8.043 8.120) 26.487 33.159 ( -14.163 7.199 -10.057) 18.804 33.282 ( -12.809 -5.280 -9.549) 16.827 ======================= Grid point 79 (33/48) ======================= q-point: ( 0.20 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 14.363 -0.566 32.475) 35.514 2.086 ( 11.348 -19.892 21.360) 31.317 2.948 ( 27.358 10.903 30.113) 42.120 3.067 ( 3.676 18.856 -22.546) 29.621 3.094 ( 9.940 1.746 21.105) 23.394 3.368 ( 9.659 -14.512 -10.626) 20.415 3.631 ( 20.658 15.435 18.361) 31.656 3.641 ( 10.513 9.680 11.393) 18.276 3.876 ( 10.332 -10.435 -8.665) 17.050 4.054 ( 21.005 -19.918 18.172) 34.178 4.261 ( 12.621 17.446 2.285) 21.654 4.378 ( 3.362 6.430 -10.944) 13.131 4.430 ( 10.513 14.284 3.070) 17.999 4.520 ( 5.031 -14.602 -5.053) 16.250 4.664 ( 12.384 -2.469 -3.212) 13.030 4.762 ( 15.315 4.240 -17.161) 23.389 4.866 ( 2.969 -19.876 -2.255) 20.223 4.944 ( 15.956 -11.055 -11.942) 22.790 4.988 ( 13.156 -1.369 -5.023) 14.148 5.051 ( 11.948 -5.274 -6.095) 14.412 5.264 ( 9.760 7.816 7.707) 14.689 5.371 ( 2.753 -2.887 3.968) 5.626 5.450 ( 10.261 3.196 5.577) 12.108 5.507 ( 8.265 -0.542 3.400) 8.953 5.577 ( 22.872 4.974 3.529) 23.671 5.646 ( 13.999 -1.430 6.504) 15.502 5.751 ( 15.500 1.203 -0.581) 15.558 5.790 ( 15.555 -1.309 -2.444) 15.800 5.905 ( 3.751 3.442 -0.314) 5.100 5.940 ( 12.958 1.300 2.642) 13.288 6.017 ( 11.461 -2.023 -0.624) 11.655 6.071 ( 0.217 -7.724 -3.739) 8.584 6.126 ( -2.843 2.323 -1.609) 4.008 6.179 ( 8.355 3.509 -2.758) 9.472 6.211 ( 6.181 -1.211 -4.246) 7.597 6.283 ( 4.893 -3.172 -6.843) 8.991 6.374 ( -1.723 8.608 -2.561) 9.145 6.482 ( -1.753 0.654 -0.186) 1.880 6.544 ( 10.317 -0.149 -3.449) 10.879 6.563 ( 10.256 -2.938 0.677) 10.690 6.666 ( 15.511 0.707 6.181) 16.713 6.705 ( 10.547 -2.288 2.823) 11.156 6.817 ( 7.358 6.223 1.745) 9.794 6.832 ( 1.298 7.249 3.005) 7.954 6.901 ( 4.179 9.025 8.624) 13.164 7.059 ( 6.599 2.689 0.069) 7.126 7.102 ( 2.960 -0.610 4.706) 5.593 7.229 ( 1.989 -3.672 9.732) 10.590 7.279 ( 2.678 -6.666 -0.534) 7.204 7.320 ( 5.219 -1.729 -2.759) 6.152 7.468 ( -0.110 -0.916 -1.862) 2.078 7.503 ( -5.983 -6.900 -11.084) 14.362 7.636 ( 0.238 0.961 -1.064) 1.454 7.687 ( 9.307 4.061 -3.618) 10.780 7.730 ( 10.424 -1.998 2.639) 10.937 7.813 ( 11.771 -2.791 -4.525) 12.916 7.927 ( 0.924 5.685 2.377) 6.231 7.974 ( -0.467 -0.347 -0.525) 0.784 8.014 ( -3.420 -1.653 1.094) 3.953 8.061 ( -2.777 -6.073 1.198) 6.784 8.266 ( -5.378 2.360 -4.915) 7.658 8.319 ( -3.699 -2.588 -5.073) 6.791 8.343 ( -3.414 4.270 -1.764) 5.745 8.418 ( -2.509 -0.663 -6.614) 7.105 8.433 ( -0.379 2.111 -2.970) 3.664 8.497 ( -0.559 -1.832 -4.341) 4.745 8.565 ( -3.527 -1.704 -2.305) 4.545 8.582 ( -7.035 -1.544 -3.247) 7.900 8.714 ( -3.771 5.554 3.134) 7.409 8.790 ( -5.321 -0.207 1.900) 5.654 8.816 ( -0.099 0.225 4.356) 4.363 8.894 ( -4.134 -6.875 0.288) 8.028 8.949 ( -9.655 3.613 4.141) 11.110 9.080 ( -3.231 -7.708 6.250) 10.437 9.223 ( -11.380 8.660 -3.355) 14.689 9.275 ( -3.524 6.439 6.820) 10.020 9.319 ( -5.614 3.053 4.427) 7.774 9.431 ( -4.044 4.530 2.077) 6.418 9.507 ( 1.229 2.824 -2.265) 3.823 9.557 ( -9.822 1.815 -1.075) 10.046 9.582 ( 3.316 -5.152 -1.882) 6.410 9.680 ( -4.365 -0.865 5.723) 7.249 9.715 ( -3.031 -1.380 4.127) 5.303 9.764 ( -6.985 -2.320 1.719) 7.558 9.805 ( -4.208 5.547 -2.616) 7.437 9.839 ( -0.848 0.286 -10.020) 10.060 9.945 ( -0.339 -5.915 -0.856) 5.986 10.022 ( -0.037 -5.624 -5.442) 7.826 10.042 ( -1.839 -0.103 2.053) 2.758 10.105 ( -3.147 -4.233 0.723) 5.324 10.274 ( 3.281 1.855 -3.200) 4.944 10.301 ( -1.056 -1.252 -6.182) 6.395 10.439 ( -5.396 6.451 -0.568) 8.430 10.508 ( -3.553 0.829 -3.189) 4.846 10.566 ( -7.132 -1.151 -2.319) 7.587 10.591 ( -5.248 -4.857 -2.479) 7.568 10.642 ( -2.260 -0.176 2.028) 3.042 10.692 ( -2.660 -5.779 3.884) 7.454 10.769 ( 0.572 4.109 2.921) 5.074 10.849 ( -0.135 -2.852 2.688) 3.921 10.962 ( -1.521 6.287 -1.189) 6.577 11.077 ( 1.711 0.000 -1.644) 2.373 11.119 ( 1.422 -1.541 -4.798) 5.236 11.207 ( 3.957 -4.424 0.468) 5.954 11.227 ( 0.271 0.036 3.632) 3.642 11.286 ( 0.503 -5.535 2.286) 6.010 11.393 ( 1.975 2.686 -0.912) 3.457 11.434 ( -0.411 -1.026 -3.675) 3.838 11.492 ( -2.270 8.265 3.130) 9.124 11.602 ( -2.650 1.064 1.432) 3.194 11.669 ( -0.903 1.852 -4.213) 4.690 11.765 ( -3.672 -3.498 -4.469) 6.760 11.838 ( 6.059 6.901 -0.792) 9.218 11.918 ( -1.105 3.531 -3.541) 5.121 11.940 ( 6.897 -3.651 -3.934) 8.739 11.989 ( 3.454 -3.022 -1.571) 4.851 12.049 ( 4.315 -1.332 2.818) 5.323 12.063 ( 3.231 -2.279 3.237) 5.110 12.218 ( 6.796 0.706 -0.637) 6.862 12.249 ( 1.143 0.240 -0.819) 1.426 12.283 ( 8.128 5.431 -0.337) 9.781 12.426 ( 4.418 -5.829 -2.517) 7.735 12.475 ( 3.944 5.067 -4.322) 7.740 12.533 ( -0.178 0.045 -4.152) 4.156 12.663 ( -1.749 1.436 -1.733) 2.851 12.705 ( -1.462 -0.750 0.112) 1.647 12.771 ( 0.561 -2.293 -2.542) 3.469 12.853 ( 0.950 -6.096 -2.684) 6.728 13.047 ( -9.727 5.195 3.452) 11.555 13.112 ( -5.009 4.381 -0.134) 6.656 13.207 ( -5.743 -6.524 2.046) 8.929 13.282 ( 0.646 -8.995 -0.554) 9.035 13.507 ( 4.689 5.820 3.886) 8.424 13.584 ( 3.081 0.047 2.598) 4.031 13.613 ( 3.117 3.070 0.159) 4.378 13.635 ( 4.833 1.273 -1.412) 5.193 13.726 ( -5.622 6.705 1.568) 8.889 13.761 ( -4.044 5.250 1.822) 6.873 13.868 ( -5.247 -4.752 0.868) 7.132 13.907 ( -2.662 -5.632 2.224) 6.614 14.039 ( 8.490 0.397 6.751) 10.854 14.082 ( 8.087 -2.987 3.686) 9.376 14.153 ( 5.954 1.059 3.103) 6.797 14.189 ( 6.888 -1.676 2.982) 7.691 14.292 ( 5.796 0.398 10.106) 11.657 14.340 ( 2.317 -3.985 10.517) 11.483 14.479 ( 7.659 2.912 1.998) 8.434 14.536 ( 5.240 3.871 0.212) 6.518 14.605 ( 6.286 -1.853 1.638) 6.755 14.692 ( 5.097 6.083 -4.520) 9.133 14.738 ( 4.913 -6.163 -2.090) 8.154 14.857 ( 6.464 -6.413 -9.242) 12.974 15.109 ( 2.920 6.794 0.286) 7.400 15.175 ( 5.210 0.507 1.733) 5.514 15.246 ( 7.497 3.089 -2.300) 8.428 15.296 ( 7.413 0.145 -2.124) 7.713 15.387 ( 3.033 -1.187 2.225) 3.944 15.412 ( 7.411 -3.246 -0.566) 8.110 15.480 ( 9.276 -0.085 -4.910) 10.495 15.487 ( 7.455 -1.606 -6.084) 9.755 15.620 ( 2.671 3.935 -3.519) 5.916 15.693 ( 0.585 -3.533 -1.034) 3.728 15.757 ( 0.044 2.974 -6.706) 7.336 15.803 ( 0.061 -1.486 -4.758) 4.985 15.944 ( 1.456 1.208 6.543) 6.811 15.966 ( 0.897 -1.070 4.609) 4.816 16.114 ( -5.337 3.028 -1.145) 6.242 16.198 ( -3.950 -5.347 -2.388) 7.064 16.313 ( 4.793 6.383 2.035) 8.237 16.361 ( -0.908 2.146 0.401) 2.364 16.452 ( -7.491 -2.138 1.258) 7.891 16.476 ( -3.831 -3.796 0.799) 5.452 16.810 ( -7.101 -0.105 7.847) 10.583 16.816 ( -8.386 -0.669 5.438) 10.018 16.967 ( -4.431 3.506 0.613) 5.683 17.035 ( -1.235 -3.319 -8.094) 8.835 18.392 ( -4.840 7.491 1.010) 8.975 18.569 ( -3.142 -9.436 -0.792) 9.977 18.589 ( -8.469 4.286 -7.603) 12.161 18.697 ( -8.136 -5.079 -6.449) 11.557 19.560 ( -0.935 1.223 0.300) 1.569 19.581 ( -1.765 -0.051 -0.292) 1.790 19.624 ( -0.220 1.594 -2.429) 2.914 19.666 ( -1.768 -2.030 -4.478) 5.225 20.892 ( -21.121 0.521 6.305) 22.048 20.902 ( -22.040 -0.495 5.375) 22.692 20.987 ( -19.511 1.615 0.480) 19.584 21.024 ( -20.637 -2.095 -0.561) 20.750 21.309 ( -18.794 2.109 5.023) 19.567 21.345 ( -19.619 -1.538 4.441) 20.174 21.486 ( -19.993 0.124 -2.873) 20.198 21.496 ( -19.400 -0.699 -2.538) 19.578 25.324 ( 13.836 0.209 3.104) 14.182 25.329 ( 14.092 -0.267 3.564) 14.538 25.525 ( 18.920 1.972 -7.558) 20.469 25.568 ( 18.574 -2.286 -9.610) 21.038 26.297 ( 2.955 2.250 2.078) 4.256 26.305 ( 0.181 1.682 1.988) 2.610 26.357 ( 3.350 -2.365 0.812) 4.180 26.366 ( 4.208 -2.827 0.383) 5.083 26.486 ( -1.486 1.509 8.286) 8.552 26.532 ( -2.019 -3.356 6.467) 7.561 26.699 ( -2.135 1.109 -3.111) 3.933 26.720 ( -3.235 -1.073 -3.598) 4.956 26.959 ( 6.677 2.744 1.327) 7.340 27.002 ( 8.212 -2.367 4.028) 9.448 27.059 ( 4.811 5.197 -3.915) 8.092 27.165 ( 6.482 -5.758 -3.877) 9.498 27.377 ( -2.473 9.128 3.559) 10.105 27.456 ( -1.344 11.560 -0.101) 11.639 27.552 ( -0.143 -7.217 3.203) 7.897 27.640 ( 4.228 -7.634 -1.213) 8.810 27.854 ( 15.240 3.269 3.441) 15.962 27.946 ( 10.087 -6.967 4.014) 12.900 28.200 ( 9.898 4.992 -14.254) 18.057 28.333 ( 6.705 -9.163 -16.022) 19.637 28.878 ( -13.880 13.657 0.667) 19.484 29.018 ( -15.045 8.139 -5.316) 17.912 29.138 ( -12.842 -10.597 -1.907) 16.758 29.185 ( -13.240 -6.970 -4.182) 15.536 29.770 ( -11.075 2.850 6.325) 13.068 29.829 ( -10.565 -3.162 3.974) 11.722 29.896 ( -10.948 1.834 -0.566) 11.115 29.933 ( -10.186 -1.882 -1.421) 10.455 30.254 ( -0.272 2.111 6.476) 6.817 30.282 ( 0.163 -0.765 3.361) 3.450 30.342 ( -0.474 2.027 0.281) 2.101 30.409 ( -0.566 -5.384 1.301) 5.568 30.669 ( -0.711 7.628 3.385) 8.375 30.758 ( 3.406 1.044 4.406) 5.666 30.808 ( 4.471 -1.282 3.330) 5.720 30.836 ( 3.396 -4.347 2.220) 5.946 30.926 ( -2.051 13.824 -7.125) 15.686 31.029 ( 2.193 3.661 -5.137) 6.678 31.110 ( 0.102 -6.141 -3.327) 6.985 31.181 ( -3.404 -8.830 -6.021) 11.216 32.322 ( -26.172 3.060 16.836) 31.270 32.427 ( -27.289 -7.784 12.542) 31.026 32.794 ( -22.163 10.324 -10.813) 26.734 32.950 ( -20.434 -6.252 -12.054) 24.534 ======================= Grid point 80 (34/48) ======================= q-point: ( 0.30 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 24.446 1.182 20.292) 31.793 2.434 ( 22.582 -13.684 16.570) 31.173 3.090 ( 5.574 13.961 -10.748) 18.480 3.252 ( 7.602 1.725 -7.012) 10.485 3.520 ( 22.873 9.513 12.793) 27.881 3.671 ( 17.966 -3.343 6.211) 19.301 3.865 ( 19.235 -0.426 9.148) 21.304 4.037 ( 4.463 -10.613 -4.951) 12.533 4.084 ( 16.572 12.842 11.128) 23.735 4.309 ( -2.975 0.008 -6.829) 7.449 4.375 ( 8.795 12.973 -0.354) 15.678 4.436 ( 7.585 -11.915 6.740) 15.650 4.515 ( -0.498 -9.921 -5.506) 11.358 4.709 ( 1.736 -16.118 2.057) 16.341 4.845 ( 12.446 12.918 0.333) 17.941 4.916 ( 7.694 5.010 -3.472) 9.816 5.065 ( 6.824 0.243 -7.731) 10.315 5.107 ( 0.985 -7.496 -6.427) 9.923 5.153 ( 7.459 -3.876 1.420) 8.525 5.205 ( -3.508 6.356 0.716) 7.296 5.230 ( 4.696 -4.201 -1.261) 6.426 5.357 ( 4.945 -6.439 -0.974) 8.177 5.437 ( 0.788 -0.128 -5.384) 5.443 5.461 ( -5.586 -3.542 -3.291) 7.388 5.727 ( -0.570 2.778 4.587) 5.393 5.785 ( -4.430 -2.268 6.725) 8.366 5.943 ( 5.095 4.738 -0.325) 6.965 6.012 ( 0.523 -1.909 -1.189) 2.309 6.084 ( 3.504 1.533 -3.283) 5.040 6.113 ( 3.846 0.440 -1.470) 4.140 6.248 ( 4.417 0.356 -3.675) 5.757 6.266 ( 4.201 5.042 8.969) 11.114 6.357 ( 9.682 7.162 -5.280) 13.150 6.359 ( 15.198 -1.424 -5.022) 16.070 6.377 ( 15.222 -4.050 4.666) 16.428 6.480 ( 11.162 1.699 -0.032) 11.291 6.517 ( 10.849 10.392 1.904) 15.143 6.578 ( 10.217 -0.840 -4.282) 11.109 6.705 ( 3.853 1.202 0.908) 4.137 6.725 ( 2.668 2.537 0.597) 3.730 6.795 ( 5.335 3.008 3.330) 6.971 6.863 ( 10.330 -5.585 4.169) 12.462 6.973 ( 5.131 -0.312 -3.305) 6.111 7.068 ( 6.850 -6.264 -4.421) 10.281 7.142 ( 12.320 6.145 -0.852) 13.794 7.188 ( 6.238 5.758 4.482) 9.600 7.247 ( 15.200 6.314 -1.482) 16.526 7.311 ( 8.953 -4.128 7.083) 12.140 7.333 ( 5.084 -4.464 3.446) 7.593 7.416 ( 10.168 -0.848 7.501) 12.664 7.434 ( 4.185 -7.246 -2.124) 8.633 7.519 ( 6.938 -7.312 -0.022) 10.080 7.612 ( -0.253 7.574 -1.512) 7.727 7.757 ( -3.463 -0.501 8.129) 8.850 7.788 ( -6.068 -1.135 -1.399) 6.330 7.882 ( -7.935 -6.727 9.288) 13.946 7.901 ( 5.415 2.286 -1.018) 5.965 7.968 ( -3.022 0.730 2.863) 4.227 7.994 ( 1.332 -4.416 -1.304) 4.793 8.027 ( 2.392 -1.601 -0.463) 2.915 8.158 ( -5.724 -3.541 -3.165) 7.438 8.177 ( -2.701 -3.957 0.404) 4.809 8.295 ( 0.741 4.734 -6.632) 8.182 8.379 ( -1.585 5.036 -0.188) 5.283 8.395 ( 0.077 -1.145 -0.425) 1.224 8.468 ( 4.757 0.855 3.167) 5.778 8.520 ( 0.400 4.226 1.124) 4.391 8.644 ( 3.988 -2.750 -1.290) 5.013 8.664 ( -1.017 2.620 0.312) 2.827 8.724 ( -2.417 -4.546 2.912) 5.915 8.812 ( -1.084 -0.073 0.936) 1.434 8.860 ( -2.992 -1.903 -3.937) 5.299 8.942 ( 0.634 7.459 0.559) 7.507 9.019 ( -3.787 5.613 -0.351) 6.780 9.096 ( -4.623 -1.224 -1.032) 4.892 9.129 ( -2.423 -7.352 -0.650) 7.768 9.301 ( 0.370 8.465 -0.379) 8.481 9.352 ( -1.297 6.523 2.100) 6.974 9.444 ( -3.220 0.805 -2.611) 4.223 9.488 ( -6.151 -4.788 -2.883) 8.311 9.633 ( 6.775 -1.734 -1.597) 7.173 9.691 ( 4.966 5.042 0.394) 7.088 9.741 ( 4.725 -4.077 1.732) 6.477 9.798 ( 11.535 3.970 -1.341) 12.272 9.863 ( 2.490 -7.661 -6.092) 10.099 9.896 ( 10.898 3.710 -3.708) 12.095 10.022 ( 3.775 -8.649 -1.825) 9.612 10.034 ( 5.012 1.943 0.634) 5.412 10.060 ( -1.594 -2.576 0.713) 3.112 10.118 ( 7.269 -4.058 -3.256) 8.939 10.225 ( -5.122 -4.136 -3.629) 7.517 10.251 ( -1.132 -4.184 -4.470) 6.226 10.353 ( -1.507 6.336 -2.264) 6.895 10.447 ( -7.468 -2.906 -5.413) 9.671 10.483 ( 2.388 4.649 -2.464) 5.779 10.489 ( -0.031 1.185 -4.062) 4.231 10.648 ( 5.084 4.247 3.686) 7.581 10.702 ( -6.513 5.685 -1.853) 8.842 10.733 ( 5.651 -3.161 4.215) 7.726 10.819 ( -2.351 0.999 0.760) 2.665 10.959 ( -0.308 -1.372 -0.161) 1.415 11.087 ( -5.708 -10.832 0.110) 12.245 11.126 ( -0.605 4.494 -3.010) 5.443 11.169 ( -4.592 1.655 1.850) 5.220 11.233 ( -2.240 -1.308 0.812) 2.718 11.266 ( -4.198 -3.672 5.407) 7.768 11.385 ( -6.373 4.474 3.672) 8.609 11.422 ( -0.899 -0.150 2.843) 2.986 11.447 ( 2.277 4.090 0.373) 4.696 11.540 ( -2.572 -0.164 -0.619) 2.651 11.653 ( -1.887 -3.445 -4.046) 5.639 11.678 ( -1.446 -3.019 -5.368) 6.326 11.808 ( -7.140 5.725 -1.479) 9.271 11.925 ( -3.050 -3.050 -2.556) 5.013 11.963 ( 1.781 7.783 -6.425) 10.248 12.041 ( -3.813 -0.245 3.816) 5.401 12.062 ( -0.146 -0.910 -1.319) 1.609 12.105 ( 0.702 -4.631 1.555) 4.935 12.289 ( 0.765 4.312 -2.045) 4.833 12.318 ( 0.925 1.517 -5.074) 5.376 12.402 ( -0.027 4.337 0.190) 4.341 12.470 ( -7.987 1.641 -0.952) 8.209 12.549 ( 5.241 -6.938 0.698) 8.723 12.566 ( -0.328 -7.030 0.301) 7.044 12.624 ( 7.931 6.035 0.762) 9.995 12.744 ( 5.458 -4.781 2.792) 7.774 12.836 ( 0.845 5.780 -5.925) 8.320 12.908 ( 0.178 4.306 3.242) 5.393 12.945 ( 7.039 -3.100 -5.182) 9.274 13.012 ( -3.457 -2.929 4.056) 6.081 13.091 ( -3.605 2.211 0.869) 4.317 13.250 ( -2.344 -10.554 -0.636) 10.830 13.446 ( -8.106 7.416 6.850) 12.947 13.562 ( -3.765 -0.262 0.929) 3.887 13.594 ( -3.428 -4.128 2.755) 6.032 13.625 ( -6.366 -4.974 1.251) 8.175 13.706 ( -2.073 9.710 -2.489) 10.236 13.719 ( 1.500 4.659 -5.492) 7.357 13.760 ( 1.498 -0.028 -1.453) 2.087 13.836 ( -3.749 -3.808 -2.219) 5.786 14.217 ( 7.023 -0.228 4.714) 8.461 14.237 ( 5.494 -1.836 5.652) 8.093 14.274 ( 5.682 0.643 2.278) 6.155 14.331 ( 7.776 -3.746 0.517) 8.647 14.451 ( 9.001 -0.136 9.909) 13.387 14.461 ( 9.779 -0.463 9.585) 13.701 14.602 ( 4.997 4.305 2.445) 7.034 14.652 ( 7.173 4.965 2.492) 9.073 14.711 ( 5.161 -3.365 4.386) 7.563 14.792 ( 5.451 -5.674 -1.364) 7.986 14.848 ( 6.453 3.805 -4.804) 8.899 14.957 ( 4.337 -5.234 -8.033) 10.523 15.159 ( 1.922 7.702 0.415) 7.950 15.223 ( 0.671 4.246 0.742) 4.363 15.331 ( 0.196 -4.091 -2.005) 4.560 15.385 ( 0.943 -5.648 -2.476) 6.239 15.571 ( 1.266 3.341 1.683) 3.950 15.591 ( 11.376 1.272 2.806) 11.786 15.643 ( 10.426 -0.716 -2.088) 10.657 15.652 ( 2.601 -0.433 -0.810) 2.758 15.680 ( -0.006 3.130 -3.443) 4.653 15.744 ( 2.335 -3.416 -3.895) 5.683 15.773 ( 7.649 1.923 -4.441) 9.051 15.815 ( 7.961 -1.716 -5.951) 10.086 15.884 ( -6.308 -0.132 5.458) 8.343 15.906 ( -5.336 -2.094 6.740) 8.848 16.018 ( -2.054 4.520 -1.223) 5.113 16.121 ( -1.774 -6.545 -3.601) 7.678 16.275 ( -10.411 1.579 2.525) 10.828 16.292 ( -6.051 0.092 0.395) 6.065 16.412 ( -0.082 2.299 -0.326) 2.324 16.432 ( 2.239 0.311 -2.902) 3.679 16.652 ( -7.110 1.300 9.066) 11.594 16.674 ( -6.901 -0.700 6.600) 9.574 16.944 ( 1.116 2.953 -4.872) 5.805 17.015 ( -0.977 -3.972 -11.913) 12.596 18.387 ( 5.027 5.873 2.870) 8.246 18.487 ( -0.199 -1.051 0.726) 1.293 18.538 ( 2.213 0.853 -2.259) 3.275 18.644 ( 4.450 -6.782 -4.197) 9.133 19.575 ( 3.183 0.831 0.680) 3.359 19.589 ( 3.043 -0.303 0.134) 3.061 19.656 ( 3.968 0.621 -3.042) 5.038 19.673 ( 2.869 -0.874 -4.002) 5.001 20.393 ( -30.102 0.436 6.220) 30.741 20.401 ( -29.186 -0.346 6.685) 29.944 20.527 ( -27.839 0.454 -0.749) 27.853 20.539 ( -29.147 -0.717 -0.423) 29.159 20.885 ( -24.380 1.088 4.094) 24.746 20.905 ( -25.142 -0.868 4.640) 25.581 21.032 ( -26.182 0.921 -2.592) 26.326 21.053 ( -25.635 -1.172 -2.477) 25.781 25.597 ( 13.942 0.382 4.516) 14.660 25.605 ( 14.029 -0.436 4.906) 14.869 25.852 ( 14.407 1.352 -8.403) 16.733 25.879 ( 13.373 -1.298 -9.016) 16.181 26.313 ( 0.323 3.219 2.742) 4.241 26.368 ( -2.166 0.478 3.394) 4.054 26.371 ( 3.571 0.955 1.211) 3.890 26.431 ( 0.140 -2.923 2.218) 3.672 26.515 ( 4.972 -2.127 2.353) 5.898 26.528 ( 3.710 -3.210 1.460) 5.118 26.637 ( -3.640 0.500 -2.900) 4.681 26.651 ( -2.512 -1.089 -3.151) 4.174 27.037 ( -2.896 9.806 0.230) 10.227 27.094 ( 0.167 10.656 -2.174) 10.877 27.188 ( 9.703 -3.118 2.120) 10.410 27.298 ( 3.412 -7.490 -3.297) 8.866 27.357 ( 0.709 3.831 4.698) 6.104 27.473 ( 7.615 1.761 -0.130) 7.817 27.499 ( -1.473 -7.014 2.138) 7.479 27.615 ( -4.443 -9.862 -1.789) 10.963 28.141 ( 8.967 1.835 3.961) 9.973 28.170 ( 12.746 -1.175 4.370) 13.526 28.375 ( 1.021 8.737 -5.910) 10.597 28.469 ( 5.141 -1.454 -10.801) 12.050 28.659 ( -3.103 5.166 -1.701) 6.262 28.755 ( -7.905 3.747 -5.543) 10.357 28.859 ( -14.236 -6.710 -3.501) 16.123 28.911 ( -13.119 -5.538 -5.239) 15.173 29.538 ( -12.645 2.616 4.770) 13.765 29.597 ( -13.094 -3.315 3.746) 14.017 29.652 ( -14.048 2.248 -1.236) 14.280 29.702 ( -13.721 -2.813 -1.915) 14.136 30.256 ( 0.507 3.192 5.145) 6.076 30.290 ( 0.540 0.521 3.319) 3.403 30.334 ( -0.180 2.188 0.699) 2.304 30.403 ( -0.284 -4.170 1.132) 4.330 30.652 ( -0.330 6.058 2.005) 6.390 30.798 ( -0.823 1.270 3.806) 4.096 30.809 ( -2.746 0.486 -1.604) 3.218 30.905 ( 1.685 -2.052 0.703) 2.747 30.942 ( 5.585 2.149 4.153) 7.284 31.090 ( -0.437 -4.714 -4.202) 6.330 31.138 ( 5.962 1.761 -6.348) 8.885 31.223 ( 9.445 -4.394 -7.037) 12.571 31.864 ( -20.998 1.771 16.141) 26.544 31.944 ( -21.935 -6.319 14.268) 26.919 32.353 ( -22.684 12.156 -10.842) 27.927 32.534 ( -21.955 -7.109 -12.831) 26.404 ======================= Grid point 81 (35/48) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 27.611 1.760 11.508) 29.965 2.897 ( 24.367 -7.021 10.992) 27.638 3.266 ( 11.631 8.087 -6.427) 15.556 3.424 ( 10.231 -4.641 -8.950) 14.364 3.634 ( -4.699 12.587 4.815) 14.272 3.894 ( -18.141 -10.092 0.431) 20.764 3.978 ( -13.309 4.819 -8.479) 16.500 4.072 ( -4.213 -3.723 -1.778) 5.897 4.284 ( 13.530 2.157 5.592) 14.798 4.338 ( 22.171 -1.633 8.159) 23.681 4.498 ( 13.242 5.889 -3.630) 14.940 4.601 ( 8.403 -0.569 -4.160) 9.393 4.718 ( 14.522 -2.351 3.797) 15.193 4.771 ( 7.336 -2.787 5.313) 9.476 4.931 ( -1.273 2.373 1.164) 2.934 4.967 ( -5.191 -3.510 0.123) 6.267 5.111 ( 1.282 5.773 -1.058) 6.008 5.176 ( 2.149 -0.136 -1.486) 2.616 5.201 ( 0.855 -1.984 -2.854) 3.579 5.261 ( 4.208 5.067 6.322) 9.130 5.313 ( 2.687 -3.925 -4.285) 6.402 5.406 ( 0.491 -3.666 1.455) 3.974 5.508 ( 4.742 -3.407 -7.204) 9.273 5.562 ( 6.877 -9.435 -11.408) 16.323 5.610 ( -4.507 -2.752 8.027) 9.609 5.669 ( -3.632 -7.215 1.322) 8.186 5.875 ( -14.873 6.129 -6.888) 17.499 5.973 ( -8.229 -2.132 -5.926) 10.362 6.127 ( 9.263 5.927 2.791) 11.346 6.193 ( 5.195 -2.278 0.727) 5.719 6.235 ( -0.611 4.361 5.600) 7.124 6.300 ( 0.555 2.203 7.196) 7.546 6.444 ( 3.616 6.859 -3.657) 8.573 6.525 ( 4.873 3.555 -3.878) 7.171 6.585 ( -6.252 4.957 5.050) 9.443 6.653 ( 4.426 -0.939 1.361) 4.725 6.665 ( 7.832 1.151 -0.042) 7.916 6.729 ( 5.015 4.187 7.238) 9.750 6.772 ( 10.208 0.941 -3.605) 10.867 6.809 ( 3.290 -1.154 -2.018) 4.029 6.840 ( 3.435 -3.976 0.197) 5.258 6.960 ( -4.509 -9.246 -0.583) 10.303 7.011 ( 3.026 2.814 -3.082) 5.155 7.047 ( 2.557 1.601 -0.924) 3.155 7.186 ( -3.933 6.348 6.159) 9.680 7.209 ( -3.019 2.285 3.635) 5.249 7.289 ( -6.264 -0.491 1.519) 6.464 7.305 ( -7.280 -0.357 5.804) 9.318 7.391 ( -2.686 -3.351 -0.730) 4.356 7.440 ( -4.641 -3.669 -0.841) 5.976 7.519 ( -2.329 -4.332 5.297) 7.228 7.581 ( -8.273 -4.660 0.960) 9.543 7.728 ( 3.906 7.586 -1.001) 8.591 7.820 ( 6.480 0.954 1.009) 6.627 7.854 ( 5.367 3.299 2.350) 6.724 7.880 ( 2.599 2.358 1.225) 3.717 7.910 ( -1.443 5.735 -1.413) 6.080 8.040 ( 3.700 -4.095 -0.281) 5.526 8.052 ( 7.028 -5.156 1.900) 8.921 8.112 ( 7.670 -9.814 1.620) 12.560 8.237 ( 10.308 3.275 -0.641) 10.835 8.301 ( 11.103 -0.756 -2.783) 11.472 8.355 ( 4.388 0.374 -5.751) 7.244 8.383 ( 4.720 -3.601 -4.705) 7.575 8.477 ( 7.081 6.511 4.473) 10.609 8.521 ( 9.801 2.331 5.079) 11.282 8.636 ( 2.172 -3.819 1.919) 4.794 8.663 ( 2.548 -3.359 2.482) 4.893 8.676 ( 2.554 0.376 -0.594) 2.649 8.735 ( 1.412 -2.276 2.322) 3.545 8.803 ( 2.802 -0.694 5.397) 6.121 8.821 ( -1.434 -1.989 5.974) 6.457 8.898 ( 1.267 4.806 -5.811) 7.647 8.960 ( 0.194 -1.326 -6.227) 6.369 9.050 ( -3.817 4.228 -0.054) 5.696 9.136 ( 8.741 -2.811 -4.467) 10.211 9.324 ( -2.727 3.871 -1.638) 5.010 9.362 ( 4.077 5.107 1.434) 6.690 9.421 ( -6.706 -5.945 -3.640) 9.673 9.498 ( 7.324 -4.940 -2.768) 9.258 9.599 ( -11.258 4.765 0.676) 12.244 9.666 ( -6.362 -4.140 -0.837) 7.636 9.837 ( -1.093 -1.189 -4.615) 4.889 9.867 ( -0.761 -1.967 -5.266) 5.673 9.987 ( 8.920 4.438 2.859) 10.365 10.017 ( 6.340 4.558 1.140) 7.891 10.094 ( 7.475 -0.012 1.252) 7.579 10.131 ( 0.163 5.484 0.063) 5.487 10.218 ( 2.879 3.199 4.420) 6.169 10.252 ( 7.979 -9.175 -2.355) 12.385 10.283 ( 4.819 -5.443 3.525) 8.079 10.331 ( 12.277 -5.092 0.886) 13.320 10.397 ( 8.256 0.421 -2.013) 8.508 10.412 ( 7.718 0.211 -1.126) 7.803 10.573 ( 5.740 3.933 -4.415) 8.241 10.621 ( 0.660 0.126 -2.698) 2.780 10.687 ( 13.765 4.179 -2.782) 14.652 10.735 ( -3.240 2.921 -2.178) 4.876 10.774 ( 5.238 5.990 -7.095) 10.661 10.869 ( -9.266 0.422 0.173) 9.277 10.895 ( 4.697 4.087 0.428) 6.240 10.922 ( -5.752 -5.933 -0.784) 8.300 11.029 ( -7.679 0.462 0.854) 7.740 11.076 ( -4.512 -7.235 -0.072) 8.527 11.109 ( -8.549 -3.069 2.185) 9.342 11.184 ( -2.213 -9.481 6.163) 11.523 11.250 ( 0.851 11.047 -5.627) 12.427 11.395 ( -3.702 -2.277 -0.366) 4.361 11.509 ( -1.402 3.439 -2.552) 4.506 11.517 ( -0.816 1.577 -1.273) 2.185 11.596 ( -1.940 -2.146 -3.192) 4.308 11.653 ( -4.318 -4.665 -6.544) 9.124 11.741 ( -0.017 0.229 -0.237) 0.330 11.816 ( -6.084 -5.774 -0.403) 8.397 11.916 ( -4.356 5.949 -7.699) 10.660 11.932 ( -7.025 2.462 0.719) 7.479 12.028 ( -3.033 -0.187 0.794) 3.140 12.055 ( -5.564 -3.455 0.606) 6.577 12.152 ( -12.393 -0.715 -3.603) 12.926 12.174 ( -9.608 -1.688 -2.872) 10.169 12.380 ( 2.537 12.178 1.956) 12.592 12.476 ( 5.774 7.155 -3.038) 9.684 12.571 ( -2.982 1.282 3.575) 4.829 12.616 ( 2.382 -9.724 1.163) 10.079 12.702 ( 1.176 -2.376 2.805) 3.860 12.775 ( -1.805 -2.122 3.660) 4.600 12.847 ( -4.048 3.913 -2.114) 6.014 12.894 ( -5.062 2.797 2.066) 6.141 12.990 ( 5.886 4.217 3.558) 8.068 13.077 ( 8.771 4.496 0.437) 9.866 13.183 ( 7.440 -5.405 -1.539) 9.324 13.297 ( 5.228 -8.834 -2.012) 10.461 13.317 ( -5.063 5.082 5.638) 9.124 13.457 ( -5.951 -2.367 -0.599) 6.433 13.478 ( -5.718 -7.504 2.204) 9.688 13.534 ( -3.620 -6.636 -0.235) 7.563 13.734 ( 4.501 5.454 -1.438) 7.216 13.783 ( 4.238 5.354 -5.197) 8.581 13.791 ( 1.821 0.903 -4.955) 5.356 13.843 ( 4.836 0.775 -7.460) 8.924 14.289 ( 2.556 0.994 3.864) 4.738 14.315 ( 1.844 -1.170 4.390) 4.904 14.343 ( 1.033 1.391 0.930) 1.967 14.436 ( 2.262 -5.658 -1.953) 6.399 14.592 ( 4.906 3.117 7.380) 9.394 14.615 ( 4.751 3.430 8.670) 10.465 14.688 ( 4.408 -1.414 5.609) 7.273 14.768 ( 2.364 -3.285 4.656) 6.170 14.831 ( 8.203 2.444 1.691) 8.725 14.902 ( 5.085 -3.045 -0.448) 5.944 14.960 ( 3.966 2.138 -1.528) 4.757 15.006 ( 0.074 -2.268 -4.523) 5.060 15.199 ( 3.062 3.677 0.832) 4.856 15.226 ( 0.325 1.854 0.860) 2.069 15.313 ( -1.641 -1.324 -2.402) 3.196 15.358 ( -3.498 -3.798 -3.461) 6.216 15.535 ( -1.905 1.929 3.548) 4.465 15.577 ( -3.195 -1.738 4.071) 5.459 15.627 ( -3.926 2.092 0.636) 4.494 15.648 ( -7.220 -0.367 3.754) 8.146 15.691 ( -1.635 2.706 2.761) 4.198 15.743 ( 0.890 -2.259 -1.321) 2.764 15.846 ( -1.096 1.886 -1.585) 2.696 15.877 ( -2.209 -0.599 -1.236) 2.601 15.929 ( 4.189 0.850 -1.709) 4.603 15.965 ( -1.490 -1.736 0.033) 2.288 15.999 ( -1.099 2.929 -2.572) 4.050 16.096 ( 0.687 -4.254 -3.045) 5.277 16.184 ( 5.543 0.979 4.493) 7.202 16.234 ( 1.596 -3.218 4.462) 5.728 16.468 ( 6.941 2.279 -1.854) 7.537 16.495 ( 0.743 -0.997 3.310) 3.536 16.560 ( 2.126 1.614 -2.251) 3.491 16.564 ( -2.927 0.806 3.710) 4.794 16.924 ( -5.064 1.301 -8.859) 10.287 16.959 ( -5.874 -2.129 -12.460) 13.939 18.619 ( 19.865 0.300 5.537) 20.625 18.634 ( 16.723 -0.872 6.621) 18.007 18.764 ( 20.706 5.292 -1.270) 21.409 18.866 ( 18.399 -4.859 -4.278) 19.505 19.699 ( 4.775 1.134 1.975) 5.290 19.708 ( 6.669 0.202 0.753) 6.714 19.733 ( -16.055 -0.191 3.440) 16.421 19.753 ( -12.096 -2.006 2.192) 12.456 19.827 ( -4.139 0.744 -0.731) 4.269 19.838 ( -7.380 -0.393 0.703) 7.424 19.929 ( -31.648 0.850 -0.290) 31.661 19.941 ( -31.562 -0.396 -2.021) 31.630 20.407 ( -24.067 0.248 2.779) 24.229 20.417 ( -24.488 -0.624 3.822) 24.792 20.521 ( -25.574 1.519 -2.549) 25.746 20.550 ( -25.507 -1.304 -2.577) 25.670 25.846 ( 11.661 0.416 4.637) 12.556 25.855 ( 11.609 -0.430 4.829) 12.580 26.062 ( 6.378 0.457 -4.932) 8.076 26.069 ( 5.251 -0.142 -4.388) 6.845 26.292 ( -1.770 0.677 1.391) 2.351 26.301 ( -2.390 -0.042 1.367) 2.754 26.407 ( -2.411 0.890 -1.414) 2.933 26.410 ( -1.778 0.932 -2.896) 3.523 26.568 ( 2.345 1.918 -0.084) 3.031 26.612 ( 2.944 1.996 -0.827) 3.651 26.657 ( 7.582 -4.391 -0.472) 8.774 26.703 ( 4.783 -3.746 -2.096) 6.427 26.932 ( -3.495 7.151 2.883) 8.465 27.007 ( -7.051 9.563 -0.447) 11.890 27.168 ( -10.046 -12.502 1.360) 16.095 27.278 ( -9.384 -13.971 -3.411) 17.173 27.494 ( 12.320 5.763 4.189) 14.231 27.527 ( 9.883 3.595 3.090) 10.961 27.684 ( 12.566 -0.700 -1.792) 12.712 27.738 ( 14.060 -4.356 -3.744) 15.188 28.082 ( -11.871 9.649 2.518) 15.504 28.145 ( -15.534 12.425 0.290) 19.894 28.256 ( -7.837 -4.421 2.515) 9.342 28.421 ( -15.038 -11.936 -4.069) 19.626 28.762 ( 11.703 2.556 -1.513) 12.074 28.774 ( 11.479 2.003 -1.953) 11.815 28.838 ( 8.237 -1.210 -4.296) 9.368 28.862 ( 10.236 -2.706 -6.315) 12.328 29.291 ( -12.965 1.982 2.473) 13.347 29.338 ( -13.483 -2.772 2.003) 13.909 29.363 ( -15.728 2.245 -1.267) 15.938 29.413 ( -15.940 -2.757 -1.930) 16.292 30.272 ( 0.993 4.689 4.554) 6.612 30.297 ( -0.007 4.015 3.371) 5.243 30.341 ( 0.886 0.969 1.790) 2.220 30.389 ( -1.158 -1.813 1.586) 2.673 30.674 ( 2.403 -0.124 0.316) 2.427 30.744 ( -2.764 4.902 -2.788) 6.280 30.766 ( -1.599 -7.803 0.200) 7.968 30.887 ( -4.172 -5.547 -1.769) 7.163 31.066 ( 7.527 2.363 6.040) 9.936 31.146 ( 7.386 -4.422 3.815) 9.417 31.323 ( 11.461 7.714 -6.232) 15.156 31.449 ( 11.897 -5.078 -6.505) 14.479 31.515 ( -14.268 2.085 11.263) 18.297 31.592 ( -14.048 -4.744 11.968) 19.055 31.942 ( -19.613 12.144 -9.908) 25.106 32.125 ( -20.114 -7.237 -11.846) 24.439 ======================= Grid point 82 (36/48) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.282 ( -16.781 3.398 6.922) 18.468 3.282 ( 16.781 3.398 6.922) 18.468 3.360 ( -23.635 -3.328 6.445) 24.723 3.360 ( 23.635 -3.328 6.445) 24.723 3.669 ( -14.757 3.966 -7.902) 17.203 3.669 ( 14.757 3.966 -7.902) 17.203 3.763 ( -13.946 -4.445 -9.858) 17.648 3.763 ( 13.946 -4.445 -9.858) 17.648 4.639 ( -9.308 6.317 3.991) 11.936 4.639 ( 9.308 6.317 3.991) 11.936 4.685 ( -11.319 2.823 4.515) 12.509 4.685 ( 11.319 2.823 4.515) 12.509 4.849 ( -9.793 -3.594 1.724) 10.573 4.849 ( 9.793 -3.594 1.724) 10.573 4.885 ( -2.257 -5.715 1.056) 6.234 4.885 ( 2.257 -5.715 1.056) 6.234 5.101 ( -5.295 5.635 2.140) 8.023 5.101 ( 5.295 5.635 2.140) 8.023 5.269 ( -5.594 -7.556 2.107) 9.634 5.269 ( 5.594 -7.556 2.107) 9.634 5.370 ( -5.072 7.248 -5.803) 10.580 5.370 ( 5.072 7.248 -5.803) 10.580 5.548 ( -2.729 -5.048 -6.447) 8.631 5.548 ( 2.729 -5.048 -6.447) 8.631 5.637 ( -6.329 2.858 0.475) 6.961 5.637 ( 6.329 2.858 0.475) 6.961 5.791 ( -9.721 -10.172 -7.783) 16.080 5.791 ( 9.721 -10.172 -7.783) 16.080 6.234 ( -4.155 3.102 4.108) 6.615 6.234 ( 4.155 3.102 4.107) 6.615 6.306 ( -1.995 -2.613 3.395) 4.725 6.306 ( 1.995 -2.613 3.395) 4.725 6.462 ( -1.761 9.060 2.189) 9.485 6.462 ( 1.761 9.060 2.189) 9.486 6.653 ( -4.261 -3.739 1.548) 5.876 6.653 ( 4.261 -3.739 1.548) 5.876 6.741 ( -4.281 3.591 -0.859) 5.653 6.741 ( 4.281 3.591 -0.859) 5.654 6.815 ( -3.035 -2.859 1.760) 4.526 6.815 ( 3.035 -2.859 1.760) 4.526 6.949 ( -6.675 4.194 2.708) 8.336 6.949 ( 6.675 4.194 2.708) 8.336 7.038 ( -2.221 -2.322 0.744) 3.299 7.038 ( 2.221 -2.322 0.744) 3.299 7.145 ( -2.828 8.965 4.684) 10.504 7.145 ( 2.828 8.965 4.684) 10.504 7.281 ( -7.491 1.625 -4.778) 9.033 7.281 ( 7.492 1.625 -4.778) 9.033 7.352 ( -9.300 -4.598 0.035) 10.375 7.352 ( 9.300 -4.598 0.035) 10.375 7.449 ( -2.265 -12.638 3.313) 13.260 7.449 ( 2.265 -12.638 3.313) 13.260 7.789 ( -4.297 10.008 -0.273) 10.895 7.789 ( 4.297 10.008 -0.273) 10.895 7.887 ( -0.500 3.016 0.359) 3.078 7.887 ( 0.500 3.016 0.359) 3.078 8.012 ( -6.487 1.978 2.238) 7.142 8.012 ( 6.487 1.978 2.238) 7.142 8.135 ( -4.291 -6.253 -0.146) 7.585 8.135 ( 4.291 -6.253 -0.146) 7.585 8.340 ( -5.005 2.609 -2.633) 6.229 8.340 ( 5.005 2.609 -2.633) 6.229 8.413 ( -2.183 -4.292 -4.787) 6.790 8.413 ( 2.184 -4.292 -4.787) 6.790 8.625 ( -3.734 4.877 4.811) 7.802 8.625 ( 3.734 4.877 4.811) 7.802 8.695 ( -4.607 -1.080 1.770) 5.052 8.695 ( 4.607 -1.080 1.770) 5.052 8.769 ( -0.868 -3.858 2.033) 4.447 8.769 ( 0.868 -3.858 2.033) 4.447 8.817 ( -2.509 -4.968 0.371) 5.578 8.817 ( 2.509 -4.968 0.371) 5.578 9.056 ( -6.712 4.255 -0.749) 7.982 9.056 ( 6.712 4.255 -0.749) 7.982 9.129 ( -3.247 -2.915 1.001) 4.477 9.129 ( 3.247 -2.915 1.001) 4.477 9.254 ( -12.572 7.569 -5.699) 15.742 9.254 ( 12.572 7.569 -5.699) 15.742 9.416 ( -13.957 -8.499 -6.100) 17.443 9.416 ( 13.957 -8.499 -6.100) 17.443 9.653 ( -13.034 3.382 2.047) 13.620 9.653 ( 13.034 3.382 2.047) 13.620 9.754 ( -4.291 -5.681 -1.452) 7.266 9.754 ( 4.291 -5.681 -1.452) 7.266 10.103 ( -1.380 1.883 3.450) 4.166 10.103 ( 1.380 1.883 3.450) 4.166 10.124 ( -5.653 -0.046 2.837) 6.325 10.124 ( 5.653 -0.046 2.837) 6.325 10.321 ( -1.672 7.390 1.531) 7.730 10.321 ( 1.672 7.390 1.531) 7.730 10.426 ( -4.134 5.692 3.017) 7.654 10.426 ( 4.134 5.692 3.017) 7.654 10.525 ( -15.075 -3.699 2.745) 15.763 10.525 ( 15.075 -3.699 2.745) 15.763 10.631 ( -11.766 -5.624 0.055) 13.041 10.631 ( 11.766 -5.624 0.055) 13.041 10.717 ( -11.549 3.490 1.381) 12.143 10.717 ( 11.549 3.490 1.381) 12.144 10.750 ( -11.811 -0.383 -1.822) 11.957 10.750 ( 11.811 -0.383 -1.822) 11.957 10.930 ( -5.561 0.498 -6.104) 8.273 10.930 ( 5.561 0.498 -6.104) 8.273 10.970 ( -3.555 -2.155 -6.439) 7.664 10.970 ( 3.555 -2.155 -6.439) 7.664 11.213 ( -12.988 5.600 -1.289) 14.203 11.213 ( 12.988 5.600 -1.289) 14.203 11.344 ( -8.044 -5.681 -4.998) 11.043 11.344 ( 8.044 -5.681 -4.998) 11.043 11.437 ( -8.495 -1.472 -1.770) 8.801 11.437 ( 8.495 -1.472 -1.770) 8.802 11.517 ( -5.914 -8.154 -4.390) 10.988 11.517 ( 5.914 -8.154 -4.390) 10.988 11.786 ( -4.904 4.745 -0.478) 6.840 11.786 ( 4.904 4.745 -0.478) 6.840 11.845 ( -4.304 -0.222 -1.784) 4.664 11.845 ( 4.304 -0.222 -1.784) 4.664 12.000 ( -1.703 2.072 -1.207) 2.941 12.000 ( 1.703 2.072 -1.207) 2.941 12.033 ( -3.684 -0.914 -2.472) 4.530 12.033 ( 3.684 -0.914 -2.472) 4.530 12.467 ( -5.883 11.348 4.211) 13.458 12.467 ( 5.883 11.348 4.211) 13.458 12.608 ( -5.819 0.699 -2.296) 6.294 12.608 ( 5.819 0.699 -2.296) 6.294 12.735 ( -2.209 -3.681 2.786) 5.117 12.735 ( 2.209 -3.681 2.786) 5.117 12.781 ( -4.773 -4.827 0.771) 6.832 12.781 ( 4.773 -4.827 0.771) 6.832 13.162 ( -8.253 6.375 3.838) 11.113 13.162 ( 8.253 6.375 3.838) 11.113 13.228 ( -4.641 2.941 0.554) 5.522 13.228 ( 4.641 2.941 0.554) 5.522 13.387 ( -1.774 -6.218 0.807) 6.516 13.387 ( 1.774 -6.218 0.807) 6.516 13.445 ( -4.925 -9.584 -1.964) 10.953 13.445 ( 4.925 -9.584 -1.964) 10.953 13.824 ( -2.768 5.129 -3.638) 6.871 13.824 ( 2.768 5.129 -3.638) 6.871 13.869 ( -3.086 1.861 -5.745) 6.782 13.869 ( 3.086 1.861 -5.745) 6.782 14.319 ( -0.845 1.655 3.285) 3.774 14.319 ( 0.845 1.655 3.285) 3.774 14.396 ( -5.479 -4.825 -1.469) 7.447 14.396 ( 5.479 -4.825 -1.469) 7.447 14.648 ( -1.092 5.753 8.223) 10.095 14.648 ( 1.092 5.753 8.223) 10.095 14.760 ( -2.543 -5.287 5.030) 7.728 14.760 ( 2.543 -5.287 5.030) 7.728 14.950 ( -2.559 2.065 -0.942) 3.421 14.950 ( 2.559 2.065 -0.942) 3.421 14.978 ( -1.103 -0.053 0.008) 1.104 14.978 ( 1.103 -0.053 0.008) 1.104 15.266 ( -3.181 -0.390 0.031) 3.205 15.266 ( 3.181 -0.390 0.031) 3.205 15.276 ( -4.165 -1.084 -0.640) 4.351 15.276 ( 4.165 -1.084 -0.640) 4.351 15.541 ( -2.843 0.455 4.607) 5.433 15.541 ( 2.843 0.455 4.607) 5.433 15.553 ( -1.691 -0.406 4.677) 4.990 15.553 ( 1.691 -0.406 4.677) 4.990 15.757 ( -6.444 3.280 -0.072) 7.231 15.757 ( 6.444 3.280 -0.072) 7.231 15.795 ( -4.755 -0.853 -0.845) 4.904 15.795 ( 4.755 -0.853 -0.845) 4.904 15.932 ( -1.782 3.094 -2.438) 4.323 15.932 ( 1.782 3.094 -2.438) 4.323 16.018 ( -6.229 -5.077 -5.342) 9.649 16.018 ( 6.229 -5.077 -5.342) 9.649 16.368 ( -8.658 0.923 7.942) 11.785 16.368 ( 8.658 0.923 7.942) 11.785 16.390 ( -8.601 -1.249 8.464) 12.131 16.390 ( 8.601 -1.249 8.464) 12.131 16.722 ( -5.898 4.025 -9.174) 11.626 16.722 ( 5.898 4.025 -9.174) 11.626 16.792 ( -5.865 -3.084 -10.830) 12.697 16.792 ( 5.865 -3.084 -10.830) 12.697 19.106 ( -29.819 1.008 7.387) 30.737 19.106 ( 29.819 1.008 7.387) 30.737 19.133 ( -30.742 -1.877 6.178) 31.413 19.133 ( 30.742 -1.877 6.178) 31.413 19.283 ( -30.542 3.163 -0.674) 30.713 19.283 ( 30.542 3.163 -0.674) 30.713 19.335 ( -28.635 -2.167 -3.320) 28.908 19.335 ( 28.635 -2.167 -3.320) 28.908 19.992 ( -18.376 -0.207 1.723) 18.457 19.992 ( 18.376 -0.207 1.723) 18.457 19.994 ( -18.531 -0.331 2.205) 18.665 19.994 ( 18.531 -0.331 2.205) 18.665 20.086 ( -18.789 1.242 -2.765) 19.032 20.086 ( 18.789 1.242 -2.765) 19.032 20.107 ( -19.597 -0.931 -2.890) 19.831 20.107 ( 19.597 -0.931 -2.890) 19.831 26.035 ( -6.781 0.399 3.275) 7.541 26.035 ( 6.780 0.399 3.275) 7.541 26.042 ( -6.618 -0.282 3.213) 7.363 26.042 ( 6.618 -0.282 3.213) 7.363 26.328 ( -2.911 0.420 -4.335) 5.239 26.328 ( 2.911 0.420 -4.335) 5.238 26.335 ( -2.294 -0.061 -4.359) 4.926 26.335 ( 2.294 -0.061 -4.359) 4.926 26.660 ( -6.142 5.272 0.900) 8.145 26.660 ( 6.142 5.272 0.900) 8.145 26.712 ( -4.312 2.195 -1.653) 5.113 26.712 ( 4.312 2.195 -1.653) 5.113 26.978 ( -6.787 -4.983 2.308) 8.730 26.978 ( 6.787 -4.983 2.308) 8.730 27.043 ( -11.838 -9.406 -0.833) 15.143 27.043 ( 11.838 -9.406 -0.833) 15.143 27.755 ( -12.477 8.127 1.585) 14.975 27.755 ( 12.477 8.127 1.585) 14.975 27.782 ( -12.106 7.539 0.309) 14.265 27.782 ( 12.106 7.539 0.309) 14.265 28.016 ( -11.744 -1.700 0.630) 11.883 28.016 ( 11.744 -1.700 0.630) 11.883 28.100 ( -15.721 -7.921 -3.085) 17.872 28.100 ( 15.721 -7.921 -3.085) 17.872 29.022 ( -9.500 2.360 -0.482) 9.801 29.022 ( 9.500 2.360 -0.482) 9.801 29.039 ( -11.673 1.870 -1.226) 11.885 29.039 ( 11.673 1.870 -1.226) 11.885 29.097 ( -8.313 -2.267 -1.097) 8.686 29.097 ( 8.313 -2.267 -1.097) 8.686 29.109 ( -11.554 -2.363 -1.563) 11.897 29.109 ( 11.554 -2.363 -1.563) 11.897 30.289 ( -0.711 5.612 4.088) 6.980 30.289 ( 0.711 5.612 4.088) 6.980 30.364 ( -1.349 -0.276 1.851) 2.307 30.364 ( 1.349 -0.276 1.851) 2.307 30.708 ( -1.056 -1.063 -0.437) 1.561 30.708 ( 1.056 -1.063 -0.437) 1.561 30.793 ( -4.423 -6.447 -3.443) 8.543 30.793 ( 4.423 -6.447 -3.443) 8.543 31.244 ( -10.797 3.424 9.079) 14.516 31.244 ( 10.797 3.424 9.079) 14.516 31.331 ( -10.902 -4.573 9.665) 15.270 31.331 ( 10.902 -4.573 9.665) 15.270 31.600 ( -15.577 10.823 -8.424) 20.754 31.600 ( 15.577 10.823 -8.424) 20.754 31.765 ( -17.025 -6.614 -10.012) 20.829 31.765 ( 17.025 -6.614 -10.012) 20.829 ======================= Grid point 99 (37/48) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 0.000 0.000 -37.901) 37.901 2.630 ( 0.000 0.000 37.901) 37.901 2.646 ( 0.000 0.000 -33.530) 33.530 2.646 ( 0.000 0.000 33.530) 33.530 2.979 ( 0.000 0.000 -2.464) 2.464 2.979 ( 0.000 0.000 2.464) 2.464 3.392 ( 0.000 0.000 -2.068) 2.068 3.392 ( 0.000 0.000 2.068) 2.068 3.624 ( 0.000 0.000 -1.218) 1.218 3.624 ( 0.000 0.000 1.218) 1.218 3.661 ( 0.000 0.000 -0.404) 0.404 3.661 ( 0.000 0.000 0.404) 0.404 3.990 ( 0.000 0.000 -44.602) 44.602 3.990 ( 0.000 0.000 44.602) 44.602 4.249 ( 0.000 0.000 -4.035) 4.035 4.249 ( 0.000 0.000 4.035) 4.035 4.589 ( 0.000 0.000 -10.797) 10.797 4.589 ( 0.000 0.000 10.797) 10.797 4.611 ( 0.000 0.000 -7.904) 7.904 4.611 ( 0.000 0.000 7.904) 7.904 4.928 ( 0.000 0.000 -9.602) 9.602 4.928 ( 0.000 0.000 9.602) 9.602 5.325 ( 0.000 0.000 -12.146) 12.146 5.325 ( 0.000 0.000 12.146) 12.146 5.517 ( 0.000 0.000 -7.353) 7.353 5.517 ( 0.000 0.000 7.353) 7.353 5.539 ( 0.000 0.000 -3.763) 3.763 5.539 ( 0.000 0.000 3.763) 3.763 5.729 ( 0.000 0.000 -1.422) 1.422 5.729 ( 0.000 0.000 1.422) 1.422 5.793 ( 0.000 0.000 -2.621) 2.621 5.793 ( 0.000 0.000 2.621) 2.621 6.061 ( 0.000 0.000 -4.015) 4.015 6.061 ( 0.000 0.000 4.015) 4.015 6.253 ( 0.000 0.000 -0.592) 0.592 6.253 ( 0.000 0.000 0.592) 0.592 6.294 ( 0.000 0.000 -1.826) 1.826 6.294 ( 0.000 0.000 1.826) 1.826 6.540 ( 0.000 0.000 -4.036) 4.036 6.540 ( 0.000 0.000 4.036) 4.036 6.599 ( 0.000 0.000 -11.680) 11.680 6.599 ( 0.000 0.000 11.680) 11.680 6.823 ( 0.000 0.000 -0.235) 0.235 6.823 ( 0.000 0.000 0.235) 0.235 6.921 ( 0.000 0.000 -1.044) 1.044 6.921 ( 0.000 0.000 1.044) 1.044 6.952 ( 0.000 0.000 -3.578) 3.578 6.952 ( 0.000 0.000 3.578) 3.578 7.218 ( 0.000 0.000 -2.101) 2.101 7.218 ( 0.000 0.000 2.101) 2.101 7.422 ( 0.000 0.000 -5.292) 5.292 7.422 ( 0.000 0.000 5.292) 5.292 7.462 ( 0.000 0.000 -3.036) 3.036 7.462 ( 0.000 0.000 3.036) 3.036 7.668 ( 0.000 0.000 -12.995) 12.995 7.668 ( 0.000 0.000 12.995) 12.995 7.732 ( 0.000 0.000 -5.945) 5.945 7.732 ( 0.000 0.000 5.945) 5.945 7.954 ( 0.000 0.000 -16.935) 16.935 7.954 ( 0.000 0.000 16.935) 16.935 8.165 ( 0.000 0.000 -4.383) 4.383 8.165 ( 0.000 0.000 4.383) 4.383 8.279 ( 0.000 0.000 -7.010) 7.010 8.279 ( 0.000 0.000 7.010) 7.010 8.513 ( 0.000 0.000 -1.087) 1.087 8.513 ( 0.000 0.000 1.087) 1.087 8.841 ( 0.000 0.000 -1.659) 1.659 8.841 ( 0.000 0.000 1.659) 1.659 8.936 ( 0.000 0.000 -2.163) 2.163 8.936 ( 0.000 0.000 2.163) 2.163 9.253 ( 0.000 0.000 -2.141) 2.141 9.253 ( 0.000 0.000 2.141) 2.141 9.260 ( 0.000 0.000 -3.717) 3.717 9.260 ( 0.000 0.000 3.717) 3.717 9.347 ( 0.000 0.000 -3.952) 3.952 9.347 ( 0.000 0.000 3.952) 3.952 9.572 ( 0.000 0.000 -6.843) 6.843 9.572 ( 0.000 0.000 6.843) 6.843 9.682 ( 0.000 0.000 -3.475) 3.475 9.682 ( 0.000 0.000 3.475) 3.475 9.888 ( 0.000 0.000 -9.521) 9.521 9.888 ( 0.000 0.000 9.521) 9.521 9.902 ( 0.000 0.000 -3.956) 3.956 9.902 ( 0.000 0.000 3.956) 3.956 9.939 ( 0.000 0.000 -10.357) 10.357 9.939 ( 0.000 0.000 10.357) 10.357 10.102 ( 0.000 0.000 -0.573) 0.573 10.102 ( 0.000 0.000 0.573) 0.573 10.273 ( 0.000 0.000 -7.534) 7.534 10.273 ( 0.000 0.000 7.534) 7.534 10.279 ( 0.000 0.000 -3.777) 3.777 10.279 ( 0.000 0.000 3.777) 3.777 10.386 ( 0.000 0.000 -4.261) 4.261 10.386 ( 0.000 0.000 4.261) 4.261 10.689 ( 0.000 0.000 -7.450) 7.450 10.689 ( 0.000 0.000 7.450) 7.450 10.814 ( 0.000 0.000 -6.238) 6.238 10.814 ( 0.000 0.000 6.238) 6.238 10.859 ( 0.000 0.000 -9.671) 9.671 10.859 ( 0.000 0.000 9.671) 9.671 10.870 ( 0.000 0.000 -11.140) 11.140 10.870 ( 0.000 0.000 11.140) 11.140 11.154 ( 0.000 0.000 -14.741) 14.741 11.154 ( 0.000 0.000 14.741) 14.741 11.203 ( 0.000 0.000 -4.269) 4.269 11.203 ( 0.000 0.000 4.269) 4.269 11.226 ( 0.000 0.000 -7.191) 7.191 11.226 ( 0.000 0.000 7.191) 7.191 11.448 ( 0.000 0.000 -2.879) 2.879 11.448 ( 0.000 0.000 2.879) 2.879 11.559 ( 0.000 0.000 -1.592) 1.592 11.559 ( 0.000 0.000 1.592) 1.592 11.741 ( 0.000 0.000 -6.384) 6.384 11.741 ( 0.000 0.000 6.384) 6.384 11.952 ( 0.000 0.000 -9.575) 9.575 11.952 ( 0.000 0.000 9.575) 9.575 12.073 ( 0.000 0.000 -7.544) 7.544 12.073 ( 0.000 0.000 7.544) 7.544 12.098 ( 0.000 0.000 -7.139) 7.139 12.098 ( 0.000 0.000 7.139) 7.139 12.289 ( 0.000 0.000 -3.050) 3.050 12.289 ( 0.000 0.000 3.050) 3.050 12.530 ( 0.000 0.000 -4.925) 4.925 12.530 ( 0.000 0.000 4.925) 4.925 12.729 ( 0.000 0.000 -5.176) 5.176 12.729 ( 0.000 0.000 5.176) 5.176 12.789 ( 0.000 0.000 -0.263) 0.263 12.789 ( 0.000 0.000 0.263) 0.263 13.087 ( 0.000 0.000 -2.843) 2.843 13.087 ( 0.000 0.000 2.843) 2.843 13.295 ( 0.000 0.000 -2.864) 2.864 13.295 ( 0.000 0.000 2.864) 2.864 13.358 ( 0.000 0.000 -3.947) 3.947 13.358 ( 0.000 0.000 3.947) 3.947 13.531 ( 0.000 0.000 -2.629) 2.629 13.531 ( 0.000 0.000 2.629) 2.629 13.619 ( 0.000 0.000 -6.480) 6.480 13.619 ( 0.000 0.000 6.480) 6.480 13.999 ( 0.000 0.000 -3.158) 3.158 13.999 ( 0.000 0.000 3.158) 3.158 14.050 ( 0.000 0.000 -3.825) 3.825 14.050 ( 0.000 0.000 3.825) 3.825 14.059 ( 0.000 0.000 -6.402) 6.402 14.059 ( 0.000 0.000 6.402) 6.402 14.149 ( 0.000 0.000 -6.171) 6.171 14.149 ( 0.000 0.000 6.171) 6.171 14.364 ( 0.000 0.000 -9.214) 9.214 14.364 ( 0.000 0.000 9.214) 9.214 14.437 ( 0.000 0.000 -8.822) 8.822 14.437 ( 0.000 0.000 8.822) 8.822 14.646 ( 0.000 0.000 -2.499) 2.499 14.646 ( 0.000 0.000 2.499) 2.499 15.092 ( 0.000 0.000 -3.330) 3.330 15.092 ( 0.000 0.000 3.330) 3.330 15.237 ( 0.000 0.000 -3.460) 3.460 15.237 ( 0.000 0.000 3.460) 3.460 15.412 ( 0.000 0.000 -3.487) 3.487 15.412 ( 0.000 0.000 3.487) 3.487 15.458 ( 0.000 0.000 -0.873) 0.873 15.458 ( 0.000 0.000 0.873) 0.873 15.612 ( 0.000 0.000 -10.231) 10.231 15.612 ( 0.000 0.000 10.231) 10.231 15.616 ( 0.000 0.000 -1.487) 1.487 15.616 ( 0.000 0.000 1.487) 1.487 15.917 ( 0.000 0.000 -4.131) 4.131 15.917 ( 0.000 0.000 4.131) 4.131 15.944 ( 0.000 0.000 -3.244) 3.244 15.944 ( 0.000 0.000 3.244) 3.244 16.566 ( 0.000 0.000 -0.770) 0.770 16.566 ( 0.000 0.000 0.770) 0.770 16.605 ( 0.000 0.000 -7.338) 7.338 16.605 ( 0.000 0.000 7.338) 7.338 16.952 ( 0.000 0.000 -3.748) 3.748 16.952 ( 0.000 0.000 3.748) 3.748 17.167 ( 0.000 0.000 -2.515) 2.515 17.167 ( 0.000 0.000 2.515) 2.515 18.569 ( 0.000 0.000 -3.376) 3.376 18.569 ( 0.000 0.000 3.376) 3.376 18.836 ( 0.000 0.000 -7.506) 7.506 18.836 ( 0.000 0.000 7.506) 7.506 19.602 ( 0.000 0.000 -2.073) 2.073 19.602 ( 0.000 0.000 2.073) 2.073 19.684 ( 0.000 0.000 -2.808) 2.808 19.684 ( 0.000 0.000 2.808) 2.808 21.372 ( 0.000 0.000 -2.007) 2.007 21.372 ( 0.000 0.000 2.007) 2.007 21.383 ( 0.000 0.000 -3.929) 3.929 21.383 ( 0.000 0.000 3.929) 3.929 21.775 ( 0.000 0.000 -5.716) 5.716 21.775 ( 0.000 0.000 5.716) 5.716 21.822 ( 0.000 0.000 -2.708) 2.708 21.822 ( 0.000 0.000 2.708) 2.708 24.996 ( 0.000 0.000 -0.193) 0.193 24.996 ( 0.000 0.000 0.193) 0.193 24.997 ( 0.000 0.000 -0.230) 0.230 24.997 ( 0.000 0.000 0.230) 0.230 26.280 ( 0.000 0.000 -0.206) 0.206 26.280 ( 0.000 0.000 0.206) 0.206 26.321 ( 0.000 0.000 -4.436) 4.436 26.321 ( 0.000 0.000 4.436) 4.436 26.631 ( 0.000 0.000 -3.375) 3.375 26.631 ( 0.000 0.000 3.375) 3.375 26.699 ( 0.000 0.000 -7.702) 7.702 26.699 ( 0.000 0.000 7.702) 7.702 26.806 ( 0.000 0.000 -1.871) 1.871 26.806 ( 0.000 0.000 1.871) 1.871 27.175 ( 0.000 0.000 -0.779) 0.779 27.175 ( 0.000 0.000 0.779) 0.779 27.345 ( 0.000 0.000 -1.213) 1.213 27.345 ( 0.000 0.000 1.213) 1.213 27.350 ( 0.000 0.000 -2.114) 2.114 27.350 ( 0.000 0.000 2.114) 2.114 27.439 ( 0.000 0.000 -0.071) 0.071 27.439 ( 0.000 0.000 0.071) 0.071 28.245 ( 0.000 0.000 -5.611) 5.611 28.245 ( 0.000 0.000 5.611) 5.611 29.144 ( 0.000 0.000 -6.776) 6.776 29.144 ( 0.000 0.000 6.776) 6.776 29.499 ( 0.000 0.000 -0.061) 0.061 29.499 ( 0.000 0.000 0.061) 0.061 30.077 ( 0.000 0.000 -0.201) 0.201 30.077 ( 0.000 0.000 0.201) 0.201 30.133 ( 0.000 0.000 -4.264) 4.264 30.133 ( 0.000 0.000 4.264) 4.264 30.317 ( 0.000 0.000 -1.024) 1.024 30.317 ( 0.000 0.000 1.024) 1.024 30.428 ( 0.000 0.000 -11.289) 11.289 30.428 ( 0.000 0.000 11.289) 11.289 30.675 ( 0.000 0.000 -3.464) 3.464 30.675 ( 0.000 0.000 3.464) 3.464 30.718 ( 0.000 0.000 -0.896) 0.896 30.718 ( 0.000 0.000 0.896) 0.896 30.871 ( 0.000 0.000 -9.271) 9.271 30.871 ( 0.000 0.000 9.271) 9.271 31.297 ( 0.000 0.000 -1.391) 1.391 31.297 ( 0.000 0.000 1.391) 1.391 33.050 ( 0.000 0.000 -5.766) 5.766 33.050 ( 0.000 0.000 5.766) 5.766 33.362 ( 0.000 0.000 -3.163) 3.163 33.362 ( 0.000 0.000 3.163) 3.163 ======================= Grid point 101 (38/48) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( -11.723 0.000 -18.949) 22.283 2.507 ( -11.723 0.000 18.949) 22.283 2.809 ( 5.281 0.000 -9.221) 10.626 2.809 ( 5.281 0.000 9.221) 10.626 3.009 ( 19.894 0.000 -20.795) 28.779 3.009 ( 19.894 0.000 20.795) 28.779 3.527 ( 9.184 0.000 -8.850) 12.754 3.527 ( 9.184 0.000 8.850) 12.754 3.674 ( 8.679 0.000 -2.685) 9.085 3.674 ( 8.679 0.000 2.685) 9.085 3.918 ( 10.879 0.000 -7.142) 13.013 3.918 ( 10.879 0.000 7.142) 13.013 4.158 ( 18.129 0.000 -26.703) 32.276 4.158 ( 18.129 0.000 26.703) 32.276 4.440 ( 13.710 0.000 -5.289) 14.695 4.440 ( 13.710 0.000 5.289) 14.695 4.648 ( 17.796 0.000 -2.492) 17.970 4.648 ( 17.796 0.000 2.492) 17.970 4.774 ( 11.464 0.000 -8.659) 14.367 4.774 ( 11.464 0.000 8.659) 14.367 5.021 ( 13.880 0.000 -5.193) 14.819 5.021 ( 13.880 0.000 5.193) 14.819 5.339 ( -1.427 0.000 -18.595) 18.650 5.339 ( -1.427 0.000 18.595) 18.650 5.508 ( 2.241 0.000 -4.509) 5.035 5.508 ( 2.241 0.000 4.509) 5.035 5.674 ( 9.564 0.000 -9.924) 13.782 5.674 ( 9.564 0.000 9.924) 13.782 5.748 ( 8.844 0.000 -2.011) 9.069 5.748 ( 8.844 0.000 2.011) 9.069 6.049 ( 12.132 0.000 -2.478) 12.382 6.049 ( 12.132 0.000 2.478) 12.382 6.092 ( -2.098 0.000 -0.686) 2.207 6.092 ( -2.098 0.000 0.686) 2.207 6.192 ( -0.302 0.000 -0.601) 0.673 6.192 ( -0.302 0.000 0.601) 0.673 6.244 ( -0.385 0.000 -3.607) 3.628 6.244 ( -0.385 0.000 3.607) 3.628 6.444 ( -9.289 0.000 -0.885) 9.331 6.444 ( -9.289 0.000 0.885) 9.331 6.582 ( 3.346 0.000 -3.294) 4.695 6.582 ( 3.346 0.000 3.294) 4.695 6.801 ( -0.870 0.000 -3.235) 3.350 6.801 ( -0.870 0.000 3.235) 3.350 6.951 ( 1.133 0.000 -0.374) 1.193 6.951 ( 1.133 0.000 0.374) 1.193 7.056 ( 9.751 0.000 -0.970) 9.799 7.056 ( 9.751 0.000 0.970) 9.799 7.219 ( 2.271 0.000 -5.181) 5.657 7.219 ( 2.271 0.000 5.181) 5.657 7.463 ( -0.179 0.000 -3.722) 3.726 7.463 ( -0.179 0.000 3.722) 3.726 7.560 ( 11.152 0.000 -1.338) 11.232 7.560 ( 11.152 0.000 1.338) 11.232 7.713 ( 0.032 0.000 -3.880) 3.881 7.713 ( 0.032 0.000 3.880) 3.881 7.780 ( 7.392 0.000 -11.638) 13.787 7.780 ( 7.392 0.000 11.638) 13.787 7.939 ( -0.355 0.000 -9.936) 9.943 7.939 ( -0.355 0.000 9.936) 9.943 8.203 ( 3.440 0.000 -1.987) 3.973 8.203 ( 3.440 0.000 1.987) 3.973 8.305 ( 2.232 0.000 -5.060) 5.530 8.305 ( 2.232 0.000 5.060) 5.530 8.494 ( -1.765 0.000 -1.918) 2.607 8.494 ( -1.765 0.000 1.918) 2.607 8.780 ( -6.476 0.000 -1.031) 6.557 8.780 ( -6.476 0.000 1.031) 6.557 8.835 ( -8.616 0.000 -4.447) 9.696 8.835 ( -8.616 0.000 4.447) 9.696 9.110 ( -11.131 0.000 -4.968) 12.190 9.110 ( -11.131 0.000 4.968) 12.190 9.238 ( -5.914 0.000 -3.318) 6.781 9.238 ( -5.914 0.000 3.318) 6.781 9.312 ( -3.648 0.000 -4.806) 6.034 9.312 ( -3.648 0.000 4.806) 6.034 9.533 ( -1.306 0.000 -11.081) 11.158 9.533 ( -1.306 0.000 11.081) 11.158 9.631 ( -10.307 0.000 -8.668) 13.468 9.631 ( -10.307 0.000 8.668) 13.468 9.754 ( -8.287 0.000 -5.256) 9.814 9.754 ( -8.287 0.000 5.256) 9.814 9.804 ( -5.097 0.000 -7.727) 9.256 9.804 ( -5.097 0.000 7.727) 9.256 9.966 ( 1.630 0.000 -7.536) 7.710 9.966 ( 1.630 0.000 7.536) 7.710 10.012 ( -6.713 0.000 -6.086) 9.061 10.012 ( -6.713 0.000 6.086) 9.061 10.136 ( -7.839 0.000 -0.381) 7.848 10.136 ( -7.839 0.000 0.381) 7.848 10.300 ( -4.302 0.000 -3.226) 5.377 10.300 ( -4.302 0.000 3.226) 5.377 10.450 ( 4.833 0.000 -3.041) 5.710 10.450 ( 4.833 0.000 3.041) 5.710 10.670 ( -7.197 0.000 -2.741) 7.701 10.670 ( -7.197 0.000 2.741) 7.701 10.767 ( 0.718 0.000 -1.106) 1.319 10.767 ( 0.718 0.000 1.106) 1.319 10.859 ( 1.167 0.000 -8.076) 8.160 10.859 ( 1.167 0.000 8.076) 8.160 10.971 ( 2.912 0.000 -2.437) 3.798 10.971 ( 2.912 0.000 2.437) 3.798 11.152 ( 2.421 0.000 -10.027) 10.316 11.152 ( 2.421 0.000 10.027) 10.316 11.213 ( 1.585 0.000 -4.064) 4.362 11.213 ( 1.585 0.000 4.064) 4.362 11.241 ( 2.914 0.000 -4.636) 5.476 11.241 ( 2.914 0.000 4.636) 5.476 11.462 ( 1.789 0.000 -4.766) 5.090 11.462 ( 1.789 0.000 4.766) 5.090 11.723 ( 11.983 0.000 -1.357) 12.059 11.723 ( 11.983 0.000 1.357) 12.059 11.786 ( 4.496 0.000 -8.135) 9.295 11.786 ( 4.496 0.000 8.135) 9.295 11.888 ( -3.879 0.000 -7.195) 8.174 11.888 ( -3.879 0.000 7.195) 8.174 12.060 ( -1.131 0.000 -5.171) 5.293 12.060 ( -1.131 0.000 5.171) 5.293 12.151 ( 3.364 0.000 -7.812) 8.505 12.151 ( 3.364 0.000 7.812) 8.505 12.237 ( -2.868 0.000 -6.088) 6.730 12.237 ( -2.868 0.000 6.088) 6.730 12.503 ( -1.715 0.000 -2.445) 2.986 12.503 ( -1.715 0.000 2.445) 2.986 12.675 ( -1.082 0.000 -2.280) 2.524 12.675 ( -1.082 0.000 2.280) 2.524 12.874 ( 0.402 0.000 -0.960) 1.041 12.874 ( 0.402 0.000 0.960) 1.041 13.096 ( 1.421 0.000 -1.422) 2.011 13.096 ( 1.421 0.000 1.422) 2.011 13.298 ( -0.296 0.000 -4.422) 4.432 13.298 ( -0.296 0.000 4.422) 4.432 13.418 ( 9.346 0.000 -4.166) 10.232 13.418 ( 9.346 0.000 4.166) 10.232 13.570 ( 1.158 0.000 -4.157) 4.315 13.570 ( 1.158 0.000 4.157) 4.315 13.713 ( 3.429 0.000 -0.048) 3.429 13.713 ( 3.429 0.000 0.048) 3.429 13.955 ( 2.434 0.000 -1.683) 2.959 13.955 ( 2.434 0.000 1.683) 2.959 14.081 ( 3.751 0.000 -3.125) 4.882 14.081 ( 3.751 0.000 3.125) 4.882 14.107 ( -0.050 0.000 -2.299) 2.300 14.107 ( -0.050 0.000 2.299) 2.300 14.253 ( 8.766 0.000 -2.923) 9.241 14.253 ( 8.766 0.000 2.923) 9.241 14.385 ( 3.514 0.000 -8.839) 9.511 14.385 ( 3.514 0.000 8.839) 9.511 14.517 ( 6.561 0.000 -10.165) 12.098 14.517 ( 6.561 0.000 10.165) 12.098 14.675 ( 3.505 0.000 -4.323) 5.565 14.675 ( 3.505 0.000 4.323) 5.565 15.098 ( 0.503 0.000 -2.820) 2.864 15.098 ( 0.503 0.000 2.820) 2.864 15.186 ( -2.515 0.000 -3.285) 4.138 15.186 ( -2.515 0.000 3.285) 4.138 15.331 ( -3.040 0.000 -4.492) 5.424 15.331 ( -3.040 0.000 4.492) 5.424 15.478 ( -3.106 0.000 -0.787) 3.204 15.478 ( -3.106 0.000 0.787) 3.204 15.554 ( 2.603 0.000 -6.543) 7.042 15.554 ( 2.603 0.000 6.543) 7.042 15.715 ( 4.143 0.000 -1.719) 4.486 15.715 ( 4.143 0.000 1.719) 4.486 15.950 ( 3.131 0.000 -0.990) 3.284 15.950 ( 3.131 0.000 0.990) 3.284 16.036 ( 6.852 0.000 -1.799) 7.085 16.036 ( 6.852 0.000 1.799) 7.085 16.478 ( -8.164 0.000 -1.025) 8.228 16.478 ( -8.164 0.000 1.025) 8.228 16.584 ( -2.103 0.000 -3.904) 4.435 16.584 ( -2.103 0.000 3.904) 4.435 16.948 ( -1.047 0.000 -0.231) 1.072 16.948 ( -1.047 0.000 0.231) 1.072 17.097 ( -6.710 0.000 -2.412) 7.130 17.097 ( -6.710 0.000 2.412) 7.130 18.505 ( -5.968 0.000 -5.045) 7.815 18.505 ( -5.968 0.000 5.045) 7.815 18.790 ( -4.612 0.000 -5.240) 6.981 18.790 ( -4.612 0.000 5.240) 6.981 19.581 ( -1.857 0.000 -1.270) 2.250 19.581 ( -1.857 0.000 1.270) 2.250 19.662 ( -2.079 0.000 -2.381) 3.161 19.662 ( -2.079 0.000 2.381) 3.161 21.263 ( -10.887 0.000 -1.395) 10.976 21.263 ( -10.887 0.000 1.395) 10.976 21.296 ( -9.629 0.000 -3.552) 10.264 21.296 ( -9.629 0.000 3.552) 10.264 21.671 ( -10.500 0.000 -4.211) 11.313 21.671 ( -10.500 0.000 4.211) 11.313 21.737 ( -9.198 0.000 -1.342) 9.296 21.737 ( -9.198 0.000 1.342) 9.296 25.115 ( 11.550 0.000 -1.224) 11.615 25.115 ( 11.550 0.000 1.224) 11.615 25.132 ( 12.872 0.000 -2.381) 13.090 25.132 ( 12.872 0.000 2.381) 13.090 26.304 ( 1.414 0.000 -1.623) 2.152 26.304 ( 1.414 0.000 1.623) 2.152 26.316 ( 0.867 0.000 -1.611) 1.829 26.316 ( 0.867 0.000 1.611) 1.829 26.635 ( 0.202 0.000 -2.762) 2.770 26.635 ( 0.202 0.000 2.762) 2.770 26.684 ( -1.806 0.000 -7.866) 8.070 26.684 ( -1.806 0.000 7.866) 8.070 26.858 ( 5.057 0.000 -1.760) 5.354 26.858 ( 5.057 0.000 1.760) 5.354 27.141 ( -1.456 0.000 -3.641) 3.921 27.141 ( -1.456 0.000 3.641) 3.921 27.325 ( -1.690 0.000 -1.447) 2.225 27.325 ( -1.690 0.000 1.447) 2.225 27.470 ( 9.844 0.000 -0.508) 9.857 27.470 ( 9.844 0.000 0.508) 9.857 27.587 ( 14.128 0.000 -3.830) 14.638 27.587 ( 14.128 0.000 3.830) 14.638 28.229 ( -1.341 0.000 -6.125) 6.270 28.229 ( -1.341 0.000 6.125) 6.270 29.045 ( -9.992 0.000 -6.386) 11.858 29.045 ( -9.992 0.000 6.386) 11.858 29.434 ( -6.864 0.000 -0.356) 6.873 29.434 ( -6.864 0.000 0.356) 6.873 30.028 ( -5.369 0.000 -0.081) 5.370 30.028 ( -5.369 0.000 0.081) 5.370 30.055 ( -7.312 0.000 -4.793) 8.743 30.055 ( -7.312 0.000 4.793) 8.743 30.316 ( -0.016 0.000 -0.974) 0.974 30.316 ( -0.016 0.000 0.974) 0.974 30.428 ( -0.264 0.000 -10.241) 10.244 30.428 ( -0.264 0.000 10.241) 10.244 30.667 ( -0.795 0.000 -3.411) 3.502 30.667 ( -0.795 0.000 3.411) 3.502 30.770 ( 4.452 0.000 -1.632) 4.742 30.770 ( 4.452 0.000 1.632) 4.742 30.850 ( -0.918 0.000 -8.657) 8.706 30.850 ( -0.918 0.000 8.657) 8.706 31.273 ( -2.445 0.000 -0.934) 2.617 31.273 ( -2.445 0.000 0.934) 2.617 32.889 ( -15.884 0.000 -6.180) 17.044 32.889 ( -15.884 0.000 6.180) 17.044 33.179 ( -17.518 0.000 -7.092) 18.899 33.179 ( -17.518 0.000 7.092) 18.899 ======================= Grid point 103 (39/48) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 2.169 0.000 -8.009) 8.297 2.389 ( 2.169 0.000 8.009) 8.297 2.898 ( 5.201 0.000 -24.708) 25.249 2.898 ( 5.201 0.000 24.708) 25.249 3.475 ( 22.812 0.000 -27.807) 35.967 3.475 ( 22.812 0.000 27.807) 35.967 3.674 ( 6.527 0.000 -9.018) 11.132 3.674 ( 6.527 0.000 9.018) 11.132 3.870 ( 11.314 0.000 -22.254) 24.965 3.870 ( 11.314 0.000 22.254) 24.965 4.165 ( 15.239 0.000 -10.069) 18.265 4.165 ( 15.239 0.000 10.069) 18.265 4.507 ( 20.132 0.000 -11.871) 23.371 4.507 ( 20.132 0.000 11.871) 23.371 4.686 ( 8.547 0.000 -1.709) 8.716 4.686 ( 8.547 0.000 1.709) 8.716 4.977 ( 15.341 0.000 -0.372) 15.345 4.977 ( 15.341 0.000 0.372) 15.345 5.095 ( 3.731 0.000 -0.905) 3.839 5.095 ( 3.731 0.000 0.905) 3.839 5.291 ( 16.121 0.000 -7.088) 17.611 5.291 ( 16.121 0.000 7.088) 17.611 5.504 ( -4.492 0.000 -1.402) 4.706 5.504 ( -4.492 0.000 1.402) 4.706 5.600 ( 14.553 0.000 -9.667) 17.471 5.600 ( 14.553 0.000 9.667) 17.471 5.809 ( 15.560 0.000 -10.348) 18.687 5.809 ( 15.560 0.000 10.348) 18.687 5.889 ( 1.149 0.000 -4.475) 4.620 5.889 ( 1.149 0.000 4.475) 4.620 6.008 ( 13.903 0.000 -3.319) 14.294 6.008 ( 13.903 0.000 3.319) 14.294 6.131 ( 0.413 0.000 -0.295) 0.508 6.131 ( 0.413 0.000 0.295) 0.508 6.252 ( -2.069 0.000 -5.763) 6.123 6.252 ( -2.069 0.000 5.763) 6.123 6.361 ( 10.508 0.000 -7.572) 12.951 6.361 ( 10.508 0.000 7.572) 12.951 6.547 ( 16.849 0.000 -11.528) 20.415 6.547 ( 16.849 0.000 11.528) 20.415 6.720 ( 8.882 0.000 -6.623) 11.079 6.720 ( 8.882 0.000 6.623) 11.079 6.794 ( 1.531 0.000 -2.373) 2.824 6.794 ( 1.531 0.000 2.373) 2.824 6.967 ( 3.094 0.000 -4.470) 5.437 6.967 ( 3.094 0.000 4.470) 5.437 7.260 ( 5.719 0.000 -2.527) 6.252 7.260 ( 5.719 0.000 2.527) 6.252 7.315 ( 10.003 0.000 -3.947) 10.753 7.315 ( 10.003 0.000 3.947) 10.753 7.446 ( -0.698 0.000 -4.642) 4.695 7.446 ( -0.698 0.000 4.642) 4.695 7.646 ( -3.605 0.000 -0.436) 3.631 7.646 ( -3.605 0.000 0.436) 3.631 7.818 ( 11.095 0.000 -0.094) 11.095 7.818 ( 11.095 0.000 0.094) 11.095 7.913 ( 5.962 0.000 -4.978) 7.767 7.913 ( 5.962 0.000 4.978) 7.767 8.025 ( 8.946 0.000 -6.943) 11.324 8.025 ( 8.946 0.000 6.943) 11.324 8.250 ( -4.880 0.000 -2.286) 5.389 8.250 ( -4.880 0.000 2.286) 5.389 8.305 ( 1.241 0.000 -3.951) 4.141 8.305 ( 1.241 0.000 3.951) 4.141 8.485 ( 3.123 0.000 -2.958) 4.301 8.485 ( 3.123 0.000 2.958) 4.301 8.574 ( -13.726 0.000 -0.421) 13.732 8.574 ( -13.726 0.000 0.421) 13.732 8.695 ( -5.727 0.000 -4.648) 7.376 8.695 ( -5.727 0.000 4.648) 7.376 8.925 ( -6.391 0.000 -4.754) 7.966 8.925 ( -6.391 0.000 4.754) 7.966 9.011 ( -12.749 0.000 -3.606) 13.249 9.011 ( -12.749 0.000 3.606) 13.249 9.256 ( -2.777 0.000 -4.164) 5.004 9.256 ( -2.777 0.000 4.164) 5.004 9.431 ( -8.800 0.000 -5.044) 10.144 9.431 ( -8.800 0.000 5.044) 10.144 9.559 ( 1.461 0.000 -4.767) 4.986 9.559 ( 1.461 0.000 4.767) 4.986 9.562 ( -8.427 0.000 -5.685) 10.165 9.562 ( -8.427 0.000 5.685) 10.165 9.721 ( -2.880 0.000 -0.804) 2.990 9.721 ( -2.880 0.000 0.804) 2.990 9.896 ( -6.075 0.000 -1.127) 6.179 9.896 ( -6.075 0.000 1.127) 6.179 9.927 ( -0.782 0.000 -5.894) 5.946 9.927 ( -0.782 0.000 5.894) 5.946 10.134 ( 6.668 0.000 -0.312) 6.675 10.134 ( 6.668 0.000 0.312) 6.675 10.246 ( -1.282 0.000 -3.022) 3.282 10.246 ( -1.282 0.000 3.022) 3.282 10.429 ( -6.090 0.000 -3.442) 6.996 10.429 ( -6.090 0.000 3.442) 6.996 10.471 ( -10.943 0.000 -0.632) 10.961 10.471 ( -10.943 0.000 0.632) 10.961 10.782 ( -0.440 0.000 -2.563) 2.601 10.782 ( -0.440 0.000 2.563) 2.601 10.881 ( -8.758 0.000 -2.545) 9.120 10.881 ( -8.758 0.000 2.545) 9.120 10.919 ( 4.771 0.000 -7.002) 8.473 10.919 ( 4.771 0.000 7.002) 8.473 11.235 ( 1.882 0.000 -5.340) 5.662 11.235 ( 1.882 0.000 5.340) 5.662 11.294 ( 5.436 0.000 -0.823) 5.498 11.294 ( 5.436 0.000 0.823) 5.498 11.359 ( 7.685 0.000 -0.983) 7.748 11.359 ( 7.685 0.000 0.983) 7.748 11.466 ( -1.494 0.000 -0.541) 1.589 11.466 ( -1.494 0.000 0.541) 1.589 11.749 ( -5.883 0.000 -3.162) 6.679 11.749 ( -5.883 0.000 3.162) 6.679 11.841 ( -1.529 0.000 -4.005) 4.287 11.841 ( -1.529 0.000 4.005) 4.287 11.921 ( 3.585 0.000 -5.053) 6.195 11.921 ( 3.585 0.000 5.053) 6.195 12.112 ( 3.970 0.000 -0.857) 4.061 12.112 ( 3.970 0.000 0.857) 4.061 12.216 ( 3.888 0.000 -3.736) 5.392 12.216 ( 3.888 0.000 3.736) 5.392 12.292 ( 11.229 0.000 -0.549) 11.242 12.292 ( 11.229 0.000 0.549) 11.242 12.474 ( -0.931 0.000 -1.784) 2.012 12.474 ( -0.931 0.000 1.784) 2.012 12.677 ( 0.556 0.000 -0.540) 0.775 12.677 ( 0.556 0.000 0.540) 0.775 12.833 ( -1.618 0.000 -1.525) 2.223 12.833 ( -1.618 0.000 1.525) 2.223 13.049 ( -6.344 0.000 -0.781) 6.391 13.049 ( -6.344 0.000 0.781) 6.391 13.392 ( 6.273 0.000 -0.523) 6.295 13.392 ( 6.273 0.000 0.523) 6.295 13.498 ( -3.798 0.000 -4.470) 5.865 13.498 ( -3.798 0.000 4.470) 5.865 13.578 ( -0.266 0.000 -1.257) 1.285 13.578 ( -0.266 0.000 1.257) 1.285 13.680 ( -2.318 0.000 -1.340) 2.677 13.680 ( -2.318 0.000 1.340) 2.677 13.966 ( -5.706 0.000 -1.312) 5.855 13.966 ( -5.706 0.000 1.312) 5.855 14.162 ( 9.513 0.000 -2.103) 9.743 14.162 ( 9.513 0.000 2.103) 9.743 14.247 ( 8.261 0.000 -2.328) 8.583 14.247 ( 8.261 0.000 2.328) 8.583 14.388 ( 7.872 0.000 -1.991) 8.120 14.388 ( 7.872 0.000 1.991) 8.120 14.467 ( 2.931 0.000 -5.266) 6.027 14.467 ( 2.931 0.000 5.266) 6.027 14.632 ( 5.949 0.000 -13.484) 14.738 14.632 ( 5.949 0.000 13.484) 14.738 14.792 ( 7.082 0.000 -4.229) 8.249 14.792 ( 7.082 0.000 4.229) 8.249 15.097 ( -0.307 0.000 -5.497) 5.506 15.097 ( -0.307 0.000 5.497) 5.506 15.263 ( 10.361 0.000 -1.294) 10.442 15.263 ( 10.361 0.000 1.294) 10.442 15.401 ( 11.675 0.000 -0.868) 11.707 15.401 ( 11.675 0.000 0.868) 11.707 15.456 ( 1.433 0.000 -2.024) 2.480 15.456 ( 1.433 0.000 2.024) 2.480 15.597 ( 0.855 0.000 -5.537) 5.603 15.597 ( 0.855 0.000 5.537) 5.603 15.757 ( 0.083 0.000 -2.513) 2.514 15.757 ( 0.083 0.000 2.513) 2.514 15.994 ( 0.619 0.000 -0.070) 0.623 15.994 ( 0.619 0.000 0.070) 0.623 16.146 ( 2.598 0.000 -5.953) 6.495 16.146 ( 2.598 0.000 5.953) 6.495 16.304 ( -7.630 0.000 -1.753) 7.829 16.304 ( -7.630 0.000 1.753) 7.829 16.525 ( -4.342 0.000 -0.143) 4.344 16.525 ( -4.342 0.000 0.143) 4.344 16.896 ( -4.196 0.000 -4.621) 6.242 16.896 ( -4.196 0.000 4.621) 6.242 16.947 ( -7.625 0.000 -3.604) 8.433 16.947 ( -7.625 0.000 3.604) 8.433 18.387 ( -4.570 0.000 -5.939) 7.493 18.387 ( -4.570 0.000 5.939) 7.493 18.681 ( -5.671 0.000 -0.615) 5.705 18.681 ( -5.671 0.000 0.615) 5.705 19.552 ( -0.495 0.000 -0.060) 0.498 19.552 ( -0.495 0.000 0.060) 0.498 19.622 ( -1.482 0.000 -1.402) 2.040 19.622 ( -1.482 0.000 1.402) 2.040 20.956 ( -20.786 0.000 -0.218) 20.787 20.956 ( -20.786 0.000 0.218) 20.787 21.005 ( -20.428 0.000 -2.913) 20.634 21.005 ( -20.428 0.000 2.913) 20.634 21.379 ( -19.482 0.000 -3.347) 19.767 21.379 ( -19.482 0.000 3.347) 19.767 21.460 ( -19.391 0.000 -1.533) 19.451 21.460 ( -19.391 0.000 1.533) 19.451 25.394 ( 16.107 0.000 -4.675) 16.771 25.394 ( 16.107 0.000 4.675) 16.771 25.430 ( 16.479 0.000 -6.444) 17.694 25.430 ( 16.479 0.000 6.444) 17.694 26.307 ( 0.463 0.000 -0.591) 0.751 26.307 ( 0.463 0.000 0.591) 0.751 26.390 ( 5.174 0.000 -0.343) 5.186 26.390 ( 5.174 0.000 0.343) 5.186 26.620 ( -2.472 0.000 -3.743) 4.486 26.620 ( -2.472 0.000 3.743) 4.486 26.637 ( -2.282 0.000 -0.643) 2.371 26.637 ( -2.282 0.000 0.643) 2.371 26.955 ( 3.205 0.000 -1.975) 3.765 26.955 ( 3.205 0.000 1.975) 3.765 27.165 ( 4.320 0.000 -4.939) 6.562 27.165 ( 4.320 0.000 4.939) 6.562 27.296 ( 0.479 0.000 -0.117) 0.493 27.296 ( 0.479 0.000 0.117) 0.493 27.669 ( 7.468 0.000 -2.758) 7.961 27.669 ( 7.468 0.000 2.758) 7.961 27.905 ( 17.575 0.000 -6.582) 18.767 27.905 ( 17.575 0.000 6.582) 18.767 28.226 ( 2.369 0.000 -8.299) 8.631 28.226 ( 2.369 0.000 8.299) 8.631 28.787 ( -15.350 0.000 -5.607) 16.342 28.787 ( -15.350 0.000 5.607) 16.342 29.233 ( -13.800 0.000 -0.771) 13.822 29.233 ( -13.800 0.000 0.771) 13.822 29.846 ( -12.133 0.000 -3.411) 12.603 29.846 ( -12.133 0.000 3.411) 12.603 29.903 ( -9.227 0.000 -2.435) 9.543 29.903 ( -9.227 0.000 2.435) 9.543 30.315 ( -0.290 0.000 -0.549) 0.621 30.315 ( -0.290 0.000 0.549) 0.621 30.410 ( -1.707 0.000 -8.416) 8.587 30.410 ( -1.707 0.000 8.416) 8.587 30.640 ( -1.426 0.000 -3.810) 4.068 30.640 ( -1.426 0.000 3.810) 4.068 30.833 ( 2.813 0.000 -5.054) 5.784 30.833 ( 2.813 0.000 5.054) 5.784 30.921 ( 7.784 0.000 -5.105) 9.309 30.921 ( 7.784 0.000 5.105) 9.309 31.206 ( -4.344 0.000 -0.194) 4.349 31.206 ( -4.344 0.000 0.194) 4.349 32.493 ( -23.515 0.000 -6.364) 24.361 32.493 ( -23.515 0.000 6.364) 24.361 32.762 ( -23.783 0.000 -13.557) 27.376 32.762 ( -23.783 0.000 13.557) 27.376 ======================= Grid point 105 (40/48) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 16.161 0.000 -6.009) 17.241 2.581 ( 16.161 0.000 6.009) 17.241 3.035 ( 9.802 0.000 -13.286) 16.510 3.035 ( 9.802 0.000 13.286) 16.510 3.749 ( 0.896 0.000 -6.915) 6.972 3.749 ( 0.896 0.000 6.915) 6.972 3.870 ( 19.257 0.000 -17.384) 25.943 3.870 ( 19.257 0.000 17.384) 25.943 4.162 ( 18.521 0.000 -16.356) 24.710 4.162 ( 18.521 0.000 16.356) 24.710 4.505 ( 17.935 0.000 -8.755) 19.958 4.505 ( 17.935 0.000 8.755) 19.958 4.579 ( -15.892 0.000 -7.800) 17.703 4.579 ( -15.892 0.000 7.800) 17.703 4.885 ( 13.703 0.000 -4.030) 14.283 4.885 ( 13.703 0.000 4.030) 14.283 5.087 ( -6.160 0.000 -6.941) 9.280 5.087 ( -6.160 0.000 6.941) 9.280 5.262 ( 7.367 0.000 -3.179) 8.023 5.262 ( 7.367 0.000 3.179) 8.023 5.335 ( 8.300 0.000 -10.315) 13.239 5.335 ( 8.300 0.000 10.315) 13.239 5.429 ( -1.127 0.000 -9.466) 9.533 5.429 ( -1.127 0.000 9.466) 9.533 5.736 ( 8.526 0.000 -4.158) 9.486 5.736 ( 8.526 0.000 4.158) 9.486 5.935 ( -9.175 0.000 -4.593) 10.261 5.935 ( -9.175 0.000 4.593) 10.261 6.075 ( 1.564 0.000 -5.443) 5.664 6.075 ( 1.564 0.000 5.443) 5.664 6.190 ( 10.311 0.000 -0.523) 10.324 6.190 ( 10.311 0.000 0.523) 10.324 6.251 ( 5.216 0.000 -0.593) 5.249 6.251 ( 5.216 0.000 0.593) 5.249 6.477 ( 14.617 0.000 -0.130) 14.618 6.477 ( 14.617 0.000 0.130) 14.618 6.578 ( 9.670 0.000 -1.112) 9.734 6.578 ( 9.670 0.000 1.112) 9.734 6.655 ( 7.788 0.000 -1.764) 7.986 6.655 ( 7.788 0.000 1.764) 7.986 6.909 ( 0.374 0.000 -5.915) 5.927 6.909 ( 0.374 0.000 5.915) 5.927 6.948 ( 9.606 0.000 -2.635) 9.961 6.948 ( 9.606 0.000 2.635) 9.961 7.133 ( 15.293 0.000 -2.022) 15.426 7.133 ( 15.293 0.000 2.022) 15.426 7.307 ( 3.716 0.000 -5.905) 6.977 7.307 ( 3.716 0.000 5.905) 6.977 7.479 ( 4.361 0.000 -5.843) 7.291 7.479 ( 4.361 0.000 5.843) 7.291 7.545 ( 3.757 0.000 -1.617) 4.090 7.545 ( 3.757 0.000 1.617) 4.090 7.601 ( 7.983 0.000 -0.308) 7.989 7.601 ( 7.983 0.000 0.308) 7.989 7.933 ( -4.549 0.000 -5.038) 6.788 7.933 ( -4.549 0.000 5.038) 6.788 7.977 ( 0.876 0.000 -0.467) 0.993 7.977 ( 0.876 0.000 0.467) 0.993 8.093 ( -1.120 0.000 -1.689) 2.027 8.093 ( -1.120 0.000 1.689) 2.027 8.175 ( 4.261 0.000 -4.113) 5.922 8.175 ( 4.261 0.000 4.113) 5.922 8.321 ( -7.063 0.000 -3.798) 8.019 8.321 ( -7.063 0.000 3.798) 8.019 8.373 ( 1.580 0.000 -0.438) 1.639 8.373 ( 1.580 0.000 0.438) 1.639 8.597 ( -2.725 0.000 -4.330) 5.116 8.597 ( -2.725 0.000 4.330) 5.116 8.661 ( 12.393 0.000 -9.775) 15.784 8.661 ( 12.393 0.000 9.775) 15.784 8.803 ( -4.259 0.000 -0.721) 4.319 8.803 ( -4.259 0.000 0.721) 4.319 8.926 ( 1.202 0.000 -0.349) 1.252 8.926 ( 1.202 0.000 0.349) 1.252 9.184 ( -10.286 0.000 -3.655) 10.916 9.184 ( -10.286 0.000 3.655) 10.916 9.285 ( 1.238 0.000 -3.027) 3.270 9.285 ( 1.238 0.000 3.027) 3.270 9.426 ( -4.136 0.000 -2.070) 4.625 9.426 ( -4.136 0.000 2.070) 4.625 9.664 ( 9.135 0.000 -2.958) 9.602 9.664 ( 9.135 0.000 2.958) 9.602 9.719 ( -0.872 0.000 -0.615) 1.067 9.719 ( -0.872 0.000 0.615) 1.067 9.854 ( 2.221 0.000 -0.713) 2.333 9.854 ( 2.221 0.000 0.713) 2.333 10.035 ( 9.937 0.000 -6.758) 12.018 10.035 ( 9.937 0.000 6.758) 12.018 10.233 ( 2.972 0.000 -6.907) 7.519 10.233 ( 2.972 0.000 6.907) 7.519 10.262 ( -1.528 0.000 -4.768) 5.006 10.262 ( -1.527 0.000 4.768) 5.006 10.310 ( -0.061 0.000 -0.968) 0.970 10.310 ( -0.061 0.000 0.968) 0.970 10.354 ( 2.686 0.000 -11.275) 11.591 10.354 ( 2.686 0.000 11.275) 11.591 10.702 ( -7.309 0.000 -1.366) 7.435 10.702 ( -7.309 0.000 1.366) 7.435 10.756 ( -1.988 0.000 -2.841) 3.468 10.756 ( -1.988 0.000 2.841) 3.468 10.988 ( -0.182 0.000 -2.903) 2.908 10.988 ( -0.182 0.000 2.903) 2.908 11.221 ( -3.339 0.000 -3.310) 4.702 11.221 ( -3.339 0.000 3.310) 4.702 11.297 ( -8.578 0.000 -4.178) 9.541 11.297 ( -8.578 0.000 4.178) 9.541 11.402 ( 2.366 0.000 -1.729) 2.930 11.402 ( 2.366 0.000 1.729) 2.930 11.476 ( -0.098 0.000 -1.011) 1.016 11.476 ( -0.098 0.000 1.011) 1.016 11.670 ( -1.425 0.000 -2.183) 2.607 11.670 ( -1.425 0.000 2.183) 2.607 11.784 ( -3.989 0.000 -1.734) 4.349 11.784 ( -3.989 0.000 1.734) 4.349 11.938 ( -1.644 0.000 -4.888) 5.157 11.938 ( -1.644 0.000 4.888) 5.157 12.154 ( 2.779 0.000 -0.055) 2.780 12.154 ( 2.779 0.000 0.055) 2.780 12.245 ( -3.352 0.000 -2.075) 3.942 12.245 ( -3.352 0.000 2.075) 3.942 12.397 ( -4.164 0.000 -2.641) 4.931 12.397 ( -4.164 0.000 2.641) 4.931 12.591 ( 9.021 0.000 -2.278) 9.305 12.591 ( 9.021 0.000 2.278) 9.305 12.721 ( 6.853 0.000 -2.352) 7.246 12.721 ( 6.853 0.000 2.352) 7.246 12.830 ( -4.110 0.000 -3.149) 5.178 12.830 ( -4.110 0.000 3.149) 5.178 12.932 ( 0.780 0.000 -3.055) 3.153 12.932 ( 0.781 0.000 3.055) 3.153 13.328 ( -7.404 0.000 -7.864) 10.801 13.328 ( -7.404 0.000 7.864) 10.801 13.476 ( -2.101 0.000 -4.193) 4.690 13.476 ( -2.101 0.000 4.193) 4.690 13.563 ( 1.987 0.000 -1.007) 2.227 13.563 ( 1.987 0.000 1.007) 2.227 13.656 ( -0.496 0.000 -0.013) 0.496 13.656 ( -0.496 0.000 0.013) 0.496 13.832 ( -7.817 0.000 -2.000) 8.069 13.832 ( -7.817 0.000 2.000) 8.069 14.285 ( 3.323 0.000 -1.229) 3.543 14.285 ( 3.323 0.000 1.229) 3.543 14.382 ( 6.039 0.000 -1.098) 6.138 14.382 ( 6.039 0.000 1.098) 6.138 14.514 ( 3.616 0.000 -2.621) 4.465 14.514 ( 3.616 0.000 2.621) 4.465 14.618 ( 13.592 0.000 -4.358) 14.274 14.618 ( 13.592 0.000 4.358) 14.274 14.782 ( 8.908 0.000 -10.360) 13.664 14.782 ( 8.908 0.000 10.360) 13.664 14.882 ( 2.133 0.000 -4.247) 4.752 14.882 ( 2.133 0.000 4.247) 4.752 15.110 ( 2.123 0.000 -4.428) 4.910 15.110 ( 2.123 0.000 4.428) 4.910 15.395 ( 0.036 0.000 -1.694) 1.694 15.395 ( 0.036 0.000 1.694) 1.694 15.556 ( -0.603 0.000 -1.198) 1.341 15.556 ( -0.603 0.000 1.198) 1.341 15.624 ( 14.327 0.000 -0.649) 14.342 15.624 ( 14.327 0.000 0.649) 14.342 15.703 ( 5.817 0.000 -1.984) 6.146 15.703 ( 5.817 0.000 1.984) 6.146 15.750 ( 6.318 0.000 -0.328) 6.326 15.750 ( 6.318 0.000 0.328) 6.326 15.955 ( -4.723 0.000 -2.125) 5.179 15.955 ( -4.723 0.000 2.125) 5.179 16.081 ( -3.707 0.000 -7.452) 8.323 16.081 ( -3.707 0.000 7.452) 8.323 16.247 ( -2.475 0.000 -1.992) 3.177 16.247 ( -2.475 0.000 1.992) 3.177 16.413 ( -6.307 0.000 -0.165) 6.309 16.413 ( -6.307 0.000 0.165) 6.309 16.814 ( -3.719 0.000 -9.171) 9.896 16.814 ( -3.719 0.000 9.171) 9.896 16.832 ( -4.434 0.000 -8.275) 9.388 16.832 ( -4.434 0.000 8.275) 9.388 18.397 ( 7.124 0.000 -3.632) 7.996 18.397 ( 7.124 0.000 3.632) 7.996 18.624 ( 1.413 0.000 -4.295) 4.522 18.624 ( 1.413 0.000 4.295) 4.522 19.585 ( 4.461 0.000 -0.670) 4.511 19.585 ( 4.461 0.000 0.670) 4.511 19.627 ( 2.562 0.000 -0.707) 2.658 19.627 ( 2.562 0.000 0.707) 2.658 20.472 ( -28.934 0.000 -2.030) 29.006 20.472 ( -28.934 0.000 2.030) 29.006 20.520 ( -29.412 0.000 -2.253) 29.498 20.520 ( -29.412 0.000 2.253) 29.498 20.941 ( -25.082 0.000 -2.787) 25.237 20.941 ( -25.082 0.000 2.787) 25.237 21.013 ( -25.937 0.000 -2.655) 26.072 21.013 ( -25.937 0.000 2.655) 26.072 25.697 ( 14.647 0.000 -6.635) 16.080 25.697 ( 14.647 0.000 6.635) 16.080 25.730 ( 14.197 0.000 -7.598) 16.102 25.730 ( 14.197 0.000 7.598) 16.102 26.325 ( 1.085 0.000 -1.669) 1.991 26.325 ( 1.085 0.000 1.669) 1.991 26.458 ( -1.217 0.000 -2.598) 2.869 26.458 ( -1.217 0.000 2.598) 2.869 26.583 ( -2.095 0.000 -0.821) 2.250 26.583 ( -2.095 0.000 0.821) 2.250 26.607 ( 3.260 0.000 -2.256) 3.964 26.607 ( 3.260 0.000 2.256) 3.964 26.943 ( -3.653 0.000 -0.992) 3.785 26.943 ( -3.653 0.000 0.992) 3.785 27.269 ( 6.372 0.000 -2.062) 6.697 27.269 ( 6.372 0.000 2.062) 6.697 27.424 ( 11.933 0.000 -2.298) 12.153 27.424 ( 11.933 0.000 2.298) 12.153 27.668 ( -6.778 0.000 -3.626) 7.687 27.668 ( -6.778 0.000 3.626) 7.687 28.189 ( 1.536 0.000 -3.846) 4.142 28.189 ( 1.536 0.000 3.846) 4.142 28.303 ( 8.338 0.000 -7.693) 11.345 28.303 ( 8.338 0.000 7.693) 11.345 28.596 ( 1.941 0.000 -0.726) 2.073 28.596 ( 1.941 0.000 0.726) 2.073 28.925 ( -16.853 0.000 -0.092) 16.853 28.925 ( -16.853 0.000 0.092) 16.853 29.592 ( -13.964 0.000 -3.097) 14.303 29.592 ( -13.964 0.000 3.097) 14.303 29.683 ( -13.397 0.000 -2.617) 13.650 29.683 ( -13.397 0.000 2.617) 13.650 30.304 ( -0.645 0.000 -0.857) 1.073 30.304 ( -0.645 0.000 0.857) 1.073 30.371 ( -2.036 0.000 -6.180) 6.507 30.371 ( -2.036 0.000 6.180) 6.507 30.642 ( 1.865 0.000 -2.659) 3.248 30.642 ( 1.865 0.000 2.659) 3.248 30.909 ( 4.341 0.000 -5.625) 7.105 30.909 ( 4.341 0.000 5.625) 7.105 31.099 ( 8.736 0.000 -2.381) 9.055 31.099 ( 8.736 0.000 2.381) 9.055 31.119 ( -2.238 0.000 -2.573) 3.410 31.119 ( -2.238 0.000 2.573) 3.410 32.036 ( -22.904 0.000 -5.995) 23.676 32.036 ( -22.904 0.000 5.995) 23.676 32.314 ( -21.986 0.000 -16.489) 27.482 32.314 ( -21.986 0.000 16.489) 27.482 ======================= Grid point 107 (41/48) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 21.511 0.000 -2.769) 21.688 2.954 ( 21.511 0.000 2.769) 21.688 3.284 ( 15.538 0.000 -5.280) 16.410 3.284 ( 15.538 0.000 5.280) 16.410 3.689 ( -8.365 0.000 -9.425) 12.601 3.689 ( -8.365 0.000 9.425) 12.601 4.052 ( -19.227 0.000 -4.478) 19.741 4.052 ( -19.227 0.000 4.478) 19.741 4.315 ( 15.498 0.000 -1.999) 15.626 4.315 ( 15.498 0.000 1.999) 15.626 4.537 ( 15.030 0.000 -3.973) 15.547 4.537 ( 15.030 0.000 3.973) 15.547 4.872 ( 4.615 0.000 -3.570) 5.834 4.872 ( 4.614 0.000 3.570) 5.834 4.946 ( 9.852 0.000 -2.002) 10.054 4.946 ( 9.852 0.000 2.002) 10.054 5.015 ( 1.718 0.000 -0.053) 1.719 5.015 ( 1.718 0.000 0.053) 1.719 5.304 ( -6.761 0.000 -2.233) 7.121 5.304 ( -6.761 0.000 2.233) 7.120 5.408 ( 2.624 0.000 -4.336) 5.068 5.408 ( 2.624 0.000 4.336) 5.068 5.608 ( 2.370 0.000 -2.647) 3.553 5.608 ( 2.370 0.000 2.647) 3.553 5.669 ( -8.149 0.000 -2.664) 8.573 5.669 ( -8.149 0.000 2.664) 8.573 5.867 ( 0.197 0.000 -3.497) 3.503 5.867 ( 0.197 0.000 3.497) 3.503 6.077 ( 5.991 0.000 -6.209) 8.628 6.077 ( 5.991 0.000 6.209) 8.628 6.281 ( 4.130 0.000 -3.002) 5.106 6.281 ( 4.130 0.000 3.002) 5.106 6.373 ( 6.356 0.000 -0.651) 6.389 6.373 ( 6.356 0.000 0.651) 6.389 6.575 ( -7.065 0.000 -6.634) 9.691 6.575 ( -7.065 0.000 6.634) 9.691 6.726 ( 8.624 0.000 -3.330) 9.245 6.726 ( 8.624 0.000 3.330) 9.245 6.851 ( 1.826 0.000 -4.443) 4.804 6.851 ( 1.826 0.000 4.443) 4.804 6.877 ( 8.624 0.000 -5.302) 10.124 6.877 ( 8.624 0.000 5.302) 10.124 7.032 ( 1.770 0.000 -1.560) 2.359 7.032 ( 1.770 0.000 1.560) 2.359 7.219 ( -4.975 0.000 -0.640) 5.016 7.219 ( -4.975 0.000 0.640) 5.016 7.263 ( -10.205 0.000 -2.064) 10.412 7.263 ( -10.205 0.000 2.064) 10.412 7.516 ( -1.509 0.000 -1.838) 2.378 7.516 ( -1.509 0.000 1.838) 2.378 7.687 ( 5.374 0.000 -7.593) 9.303 7.687 ( 5.374 0.000 7.593) 9.303 7.706 ( -2.591 0.000 -3.582) 4.421 7.706 ( -2.591 0.000 3.582) 4.421 7.843 ( 3.497 0.000 -1.000) 3.638 7.843 ( 3.497 0.000 1.000) 3.638 7.918 ( -5.296 0.000 -8.101) 9.678 7.918 ( -5.296 0.000 8.101) 9.678 8.146 ( -0.421 0.000 -4.912) 4.930 8.146 ( -0.421 0.000 4.912) 4.930 8.283 ( 7.629 0.000 -0.647) 7.656 8.283 ( 7.629 0.000 0.647) 7.656 8.376 ( 5.068 0.000 -4.079) 6.506 8.376 ( 5.068 0.000 4.079) 6.506 8.500 ( 15.085 0.000 -4.479) 15.736 8.500 ( 15.085 0.000 4.479) 15.736 8.593 ( 6.268 0.000 -2.451) 6.730 8.593 ( 6.268 0.000 2.451) 6.730 8.748 ( 0.976 0.000 -0.200) 0.996 8.748 ( 0.976 0.000 0.200) 0.996 8.856 ( -0.761 0.000 -1.425) 1.615 8.856 ( -0.761 0.000 1.425) 1.615 8.987 ( -1.521 0.000 -1.391) 2.061 8.987 ( -1.521 0.000 1.391) 2.061 9.027 ( 7.273 0.000 -4.850) 8.741 9.027 ( 7.273 0.000 4.850) 8.741 9.311 ( -3.596 0.000 -6.522) 7.447 9.311 ( -3.596 0.000 6.522) 7.447 9.469 ( 6.889 0.000 -3.115) 7.561 9.469 ( 6.889 0.000 3.115) 7.561 9.627 ( -9.361 0.000 -6.215) 11.236 9.627 ( -9.361 0.000 6.215) 11.236 9.776 ( 5.178 0.000 -3.266) 6.122 9.776 ( 5.178 0.000 3.266) 6.122 10.000 ( 11.167 0.000 -1.278) 11.240 10.000 ( 11.167 0.000 1.278) 11.240 10.129 ( -4.645 0.000 -1.762) 4.968 10.129 ( -4.645 0.000 1.762) 4.968 10.250 ( 6.200 0.000 -2.722) 6.771 10.250 ( 6.200 0.000 2.722) 6.771 10.364 ( 4.517 0.000 -1.497) 4.758 10.364 ( 4.517 0.000 1.497) 4.758 10.439 ( 10.385 0.000 -0.758) 10.412 10.439 ( 10.385 0.000 0.758) 10.412 10.463 ( 8.856 0.000 -1.862) 9.050 10.463 ( 8.856 0.000 1.863) 9.050 10.680 ( -0.737 0.000 -0.614) 0.959 10.680 ( -0.737 0.000 0.614) 0.959 10.760 ( 3.264 0.000 -5.349) 6.266 10.760 ( 3.264 0.000 5.349) 6.266 10.920 ( -0.636 0.000 -4.209) 4.256 10.920 ( -0.636 0.000 4.209) 4.256 11.093 ( -6.605 0.000 -3.797) 7.619 11.093 ( -6.605 0.000 3.797) 7.619 11.117 ( -8.401 0.000 -2.569) 8.785 11.117 ( -8.401 0.000 2.569) 8.785 11.431 ( -4.961 0.000 -0.815) 5.028 11.431 ( -4.961 0.000 0.815) 5.028 11.440 ( -0.825 0.000 -4.807) 4.877 11.440 ( -0.825 0.000 4.807) 4.877 11.646 ( -1.179 0.000 -1.710) 2.077 11.646 ( -1.179 0.000 1.710) 2.077 11.701 ( -1.682 0.000 -0.024) 1.682 11.701 ( -1.682 0.000 0.024) 1.682 11.882 ( -4.614 0.000 -0.278) 4.623 11.882 ( -4.614 0.000 0.278) 4.623 12.116 ( -8.236 0.000 -1.913) 8.455 12.116 ( -8.236 0.000 1.913) 8.455 12.135 ( -12.673 0.000 -0.855) 12.702 12.135 ( -12.673 0.000 0.855) 12.702 12.300 ( 5.247 0.000 -4.287) 6.776 12.300 ( 5.247 0.000 4.287) 6.776 12.655 ( -9.579 0.000 -6.864) 11.784 12.655 ( -9.579 0.000 6.864) 11.784 12.710 ( 4.878 0.000 -1.429) 5.083 12.710 ( 4.878 0.000 1.429) 5.083 12.918 ( -1.722 0.000 -2.186) 2.782 12.918 ( -1.722 0.000 2.186) 2.782 12.974 ( 10.196 0.000 -1.322) 10.282 12.974 ( 10.196 0.000 1.322) 10.282 13.303 ( 1.143 0.000 -3.460) 3.644 13.303 ( 1.143 0.000 3.460) 3.644 13.414 ( -0.512 0.000 -3.476) 3.514 13.414 ( -0.512 0.000 3.476) 3.514 13.622 ( -5.263 0.000 -2.338) 5.759 13.622 ( -5.263 0.000 2.338) 5.759 13.671 ( 6.699 0.000 -2.016) 6.996 13.671 ( 6.699 0.000 2.016) 6.996 13.716 ( -0.077 0.000 -0.922) 0.925 13.716 ( -0.077 0.000 0.922) 0.925 14.319 ( 1.369 0.000 -0.078) 1.371 14.319 ( 1.369 0.000 0.078) 1.371 14.455 ( -0.071 0.000 -2.102) 2.103 14.455 ( -0.071 0.000 2.102) 2.103 14.607 ( 6.534 0.000 -5.219) 8.363 14.607 ( 6.534 0.000 5.219) 8.363 14.822 ( 1.960 0.000 -7.010) 7.279 14.822 ( 1.960 0.000 7.010) 7.279 14.887 ( 4.769 0.000 -3.794) 6.095 14.887 ( 4.769 0.000 3.795) 6.095 14.949 ( 4.978 0.000 -3.375) 6.014 14.949 ( 4.978 0.000 3.375) 6.014 15.179 ( 4.874 0.000 -1.824) 5.204 15.179 ( 4.874 0.000 1.824) 5.204 15.350 ( -3.203 0.000 -0.797) 3.301 15.350 ( -3.203 0.000 0.797) 3.301 15.548 ( 0.679 0.000 -0.325) 0.753 15.548 ( 0.679 0.000 0.325) 0.753 15.666 ( -3.759 0.000 -2.707) 4.632 15.666 ( -3.759 0.000 2.707) 4.632 15.746 ( -2.626 0.000 -0.252) 2.638 15.746 ( -2.626 0.000 0.252) 2.638 15.829 ( -3.783 0.000 -3.291) 5.015 15.829 ( -3.783 0.000 3.291) 5.015 15.906 ( 1.850 0.000 -1.193) 2.201 15.906 ( 1.850 0.000 1.193) 2.201 16.098 ( -5.695 0.000 -3.533) 6.702 16.098 ( -5.695 0.000 3.533) 6.702 16.267 ( 13.202 0.000 -7.475) 15.171 16.267 ( 13.202 0.000 7.475) 15.171 16.374 ( 5.062 0.000 -7.419) 8.982 16.374 ( 5.062 0.000 7.419) 8.982 16.723 ( -6.450 0.000 -12.208) 13.807 16.723 ( -6.450 0.000 12.208) 13.807 16.748 ( -5.778 0.000 -10.402) 11.899 16.748 ( -5.778 0.000 10.402) 11.899 18.687 ( 22.686 0.000 -1.820) 22.759 18.687 ( 22.686 0.000 1.820) 22.759 18.790 ( 16.492 0.000 -7.150) 17.975 18.790 ( 16.492 0.000 7.150) 17.975 19.726 ( 6.500 0.000 -0.853) 6.556 19.726 ( 6.500 0.000 0.853) 6.556 19.744 ( 10.429 0.000 -1.758) 10.576 19.744 ( 10.429 0.000 1.758) 10.576 19.871 ( -31.286 0.000 -4.365) 31.589 19.871 ( -31.286 0.000 4.365) 31.589 19.905 ( -30.993 0.000 -2.198) 31.070 19.905 ( -30.993 0.000 2.198) 31.070 20.451 ( -24.758 0.000 -2.458) 24.879 20.451 ( -24.758 0.000 2.458) 24.879 20.504 ( -25.772 0.000 -3.473) 26.005 20.504 ( -25.772 0.000 3.473) 26.005 25.944 ( 10.669 0.000 -6.009) 12.245 25.944 ( 10.669 0.000 6.009) 12.245 25.966 ( 9.941 0.000 -5.991) 11.607 25.966 ( 9.941 0.000 5.991) 11.607 26.320 ( -2.209 0.000 -1.853) 2.884 26.320 ( -2.209 0.000 1.853) 2.884 26.371 ( -5.899 0.000 -1.868) 6.187 26.371 ( -5.899 0.000 1.868) 6.187 26.561 ( 1.338 0.000 -1.111) 1.739 26.561 ( 1.338 0.000 1.111) 1.739 26.705 ( 0.889 0.000 -0.086) 0.893 26.705 ( 0.889 0.000 0.086) 0.893 26.908 ( 4.581 0.000 -0.284) 4.590 26.908 ( 4.581 0.000 0.284) 4.590 27.376 ( -4.136 0.000 -1.838) 4.526 27.376 ( -4.136 0.000 1.838) 4.526 27.492 ( 0.045 0.000 -2.429) 2.430 27.492 ( 0.045 0.000 2.429) 2.430 27.699 ( 12.396 0.000 -1.755) 12.520 27.699 ( 12.396 0.000 1.755) 12.520 27.992 ( -10.447 0.000 -0.789) 10.476 27.992 ( -10.447 0.000 0.789) 10.476 28.417 ( -10.234 0.000 -6.616) 12.186 28.417 ( -10.234 0.000 6.616) 12.186 28.742 ( 9.249 0.000 -0.406) 9.258 28.742 ( 9.249 0.000 0.406) 9.258 28.807 ( 12.697 0.000 -0.377) 12.703 28.807 ( 12.697 0.000 0.377) 12.703 29.314 ( -14.699 0.000 -1.840) 14.814 29.314 ( -14.699 0.000 1.840) 14.814 29.401 ( -15.456 0.000 -1.956) 15.579 29.401 ( -15.456 0.000 1.956) 15.579 30.298 ( 0.093 0.000 -2.349) 2.350 30.298 ( 0.093 0.000 2.349) 2.350 30.335 ( -1.650 0.000 -4.644) 4.929 30.335 ( -1.650 0.000 4.644) 4.929 30.707 ( 4.659 0.000 -0.721) 4.714 30.707 ( 4.659 0.000 0.721) 4.714 30.920 ( -4.227 0.000 -1.290) 4.419 30.920 ( -4.227 0.000 1.290) 4.419 31.131 ( 6.995 0.000 -2.362) 7.383 31.131 ( 6.995 0.000 2.362) 7.383 31.327 ( 12.687 0.000 -9.365) 15.769 31.327 ( 12.687 0.000 9.365) 15.769 31.636 ( -18.110 0.000 -6.012) 19.081 31.636 ( -18.110 0.000 6.012) 19.081 31.925 ( -18.383 0.000 -15.438) 24.005 31.925 ( -18.383 0.000 15.438) 24.005 ======================= Grid point 109 (42/48) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.373 ( -19.829 0.000 -4.890) 20.423 3.373 ( -19.829 0.000 4.890) 20.423 3.373 ( 19.829 0.000 -4.890) 20.423 3.373 ( 19.829 0.000 4.890) 20.423 3.643 ( -18.501 0.000 -5.453) 19.287 3.643 ( -18.501 0.000 5.453) 19.287 3.643 ( 18.501 0.000 -5.453) 19.288 3.643 ( 18.501 0.000 5.453) 19.288 4.620 ( -9.630 0.000 -3.155) 10.133 4.620 ( -9.630 0.000 3.155) 10.133 4.620 ( 9.630 0.000 -3.155) 10.133 4.620 ( 9.630 0.000 3.155) 10.133 4.939 ( -3.165 0.000 -1.084) 3.346 4.939 ( 3.166 0.000 -1.084) 3.346 4.939 ( -3.166 0.000 1.084) 3.346 4.939 ( 3.166 0.000 1.084) 3.346 5.221 ( -2.557 0.000 -2.193) 3.369 5.221 ( 2.557 0.000 -2.193) 3.369 5.221 ( -2.557 0.000 2.193) 3.369 5.221 ( 2.557 0.000 2.193) 3.369 5.379 ( -11.738 0.000 -3.655) 12.294 5.379 ( -11.738 0.000 3.655) 12.294 5.379 ( 11.738 0.000 -3.655) 12.294 5.379 ( 11.738 0.000 3.655) 12.294 5.790 ( -6.026 0.000 -5.534) 8.182 5.790 ( 6.026 0.000 -5.534) 8.182 5.790 ( -6.026 0.000 5.534) 8.182 5.790 ( 6.026 0.000 5.534) 8.182 6.304 ( -14.615 0.000 -9.938) 17.674 6.304 ( 14.615 0.000 -9.938) 17.674 6.304 ( -14.615 0.000 9.938) 17.674 6.304 ( 14.615 0.000 9.938) 17.674 6.411 ( -5.099 0.000 -2.278) 5.585 6.411 ( 5.100 0.000 -2.278) 5.585 6.411 ( -5.100 0.000 2.278) 5.585 6.411 ( 5.100 0.000 2.278) 5.585 6.858 ( -3.537 0.000 -2.809) 4.517 6.858 ( 3.537 0.000 -2.809) 4.517 6.858 ( -3.537 0.000 2.809) 4.517 6.858 ( 3.537 0.000 2.809) 4.517 7.041 ( -7.944 0.000 -1.750) 8.134 7.041 ( -7.944 0.000 1.750) 8.134 7.041 ( 7.944 0.000 -1.750) 8.134 7.041 ( 7.944 0.000 1.750) 8.134 7.107 ( -5.133 0.000 -1.080) 5.246 7.107 ( -5.133 0.000 1.081) 5.246 7.107 ( 5.134 0.000 -1.080) 5.246 7.107 ( 5.133 0.000 1.080) 5.246 7.545 ( -6.176 0.000 -1.939) 6.473 7.545 ( -6.176 0.000 1.939) 6.473 7.545 ( 6.176 0.000 -1.939) 6.473 7.545 ( 6.176 0.000 1.940) 6.473 7.791 ( -6.441 0.000 -0.123) 6.442 7.791 ( -6.441 0.000 0.123) 6.442 7.791 ( 6.441 0.000 -0.123) 6.442 7.791 ( 6.441 0.000 0.123) 6.442 8.027 ( -9.824 0.000 -4.621) 10.857 8.027 ( 9.824 0.000 -4.621) 10.857 8.027 ( -9.824 0.000 4.622) 10.857 8.027 ( 9.824 0.000 4.621) 10.857 8.385 ( -3.365 0.000 -2.698) 4.313 8.385 ( 3.365 0.000 -2.698) 4.313 8.385 ( -3.365 0.000 2.698) 4.313 8.385 ( 3.365 0.000 2.698) 4.313 8.664 ( -5.515 0.000 -3.989) 6.806 8.664 ( 5.515 0.000 -3.989) 6.806 8.664 ( -5.515 0.000 3.989) 6.806 8.664 ( 5.515 0.000 3.989) 6.806 8.871 ( -9.320 0.000 -4.046) 10.160 8.871 ( 9.320 0.000 -4.046) 10.161 8.871 ( -9.320 0.000 4.046) 10.160 8.871 ( 9.320 0.000 4.046) 10.160 9.043 ( -18.512 0.000 -4.185) 18.979 9.043 ( -18.512 0.000 4.185) 18.979 9.043 ( 18.512 0.000 -4.185) 18.979 9.043 ( 18.512 0.000 4.185) 18.979 9.313 ( -14.066 0.000 -10.608) 17.617 9.313 ( 14.066 0.000 -10.608) 17.617 9.313 ( -14.066 0.000 10.608) 17.617 9.313 ( 14.066 0.000 10.608) 17.618 9.753 ( -12.085 0.000 -5.346) 13.215 9.753 ( 12.085 0.000 -5.346) 13.215 9.753 ( -12.085 0.000 5.346) 13.215 9.753 ( 12.085 0.000 5.346) 13.215 10.142 ( -8.472 0.000 -1.066) 8.539 10.142 ( -8.472 0.000 1.066) 8.539 10.142 ( 8.472 0.000 -1.066) 8.539 10.142 ( 8.472 0.000 1.066) 8.539 10.265 ( -9.310 0.000 -3.383) 9.905 10.265 ( 9.310 0.000 -3.383) 9.905 10.265 ( -9.310 0.000 3.383) 9.905 10.265 ( 9.310 0.000 3.383) 9.905 10.627 ( -7.413 0.000 -0.008) 7.413 10.627 ( -7.413 0.000 0.008) 7.413 10.627 ( 7.413 0.000 -0.008) 7.413 10.627 ( 7.413 0.000 0.008) 7.413 10.755 ( -5.349 0.000 -2.246) 5.802 10.755 ( 5.350 0.000 -2.246) 5.802 10.755 ( -5.349 0.000 2.246) 5.802 10.755 ( 5.349 0.000 2.246) 5.802 10.887 ( -12.213 0.000 -1.524) 12.307 10.887 ( -12.212 0.000 1.524) 12.307 10.887 ( 12.213 0.000 -1.524) 12.307 10.887 ( 12.213 0.000 1.524) 12.307 11.250 ( -9.731 0.000 -6.091) 11.480 11.250 ( 9.731 0.000 -6.091) 11.480 11.250 ( -9.731 0.000 6.091) 11.480 11.250 ( 9.731 0.000 6.091) 11.480 11.536 ( -12.885 0.000 -2.916) 13.211 11.536 ( -12.885 0.000 2.916) 13.211 11.536 ( 12.885 0.000 -2.916) 13.211 11.536 ( 12.885 0.000 2.916) 13.211 11.751 ( -6.165 0.000 -1.297) 6.300 11.751 ( -6.165 0.000 1.297) 6.300 11.751 ( 6.165 0.000 -1.297) 6.300 11.751 ( 6.165 0.000 1.298) 6.300 12.000 ( -1.542 0.000 -1.737) 2.322 12.000 ( 1.542 0.000 -1.736) 2.322 12.000 ( -1.542 0.000 1.737) 2.322 12.000 ( 1.542 0.000 1.737) 2.322 12.463 ( -9.852 0.000 -6.467) 11.785 12.463 ( 9.852 0.000 -6.467) 11.785 12.463 ( -9.851 0.000 6.467) 11.785 12.463 ( 9.852 0.000 6.467) 11.785 12.810 ( -5.734 0.000 -1.193) 5.857 12.810 ( -5.734 0.000 1.193) 5.857 12.810 ( 5.734 0.000 -1.193) 5.857 12.810 ( 5.734 0.000 1.193) 5.857 13.201 ( -9.775 0.000 -1.849) 9.949 13.201 ( -9.775 0.000 1.849) 9.949 13.201 ( 9.775 0.000 -1.849) 9.949 13.201 ( 9.775 0.000 1.849) 9.949 13.492 ( -6.096 0.000 -2.012) 6.420 13.492 ( -6.096 0.000 2.012) 6.420 13.492 ( 6.096 0.000 -2.012) 6.420 13.492 ( 6.096 0.000 2.012) 6.420 13.755 ( -1.225 0.000 -0.038) 1.226 13.755 ( -1.225 0.000 0.038) 1.226 13.755 ( 1.225 0.000 -0.038) 1.226 13.755 ( 1.225 0.000 0.038) 1.226 14.386 ( -5.448 0.000 -2.685) 6.073 14.386 ( 5.448 0.000 -2.685) 6.073 14.386 ( -5.448 0.000 2.685) 6.073 14.386 ( 5.448 0.000 2.685) 6.073 14.743 ( -6.696 0.000 -6.426) 9.280 14.743 ( 6.696 0.000 -6.426) 9.280 14.743 ( -6.696 0.000 6.426) 9.280 14.743 ( 6.696 0.000 6.426) 9.280 14.976 ( -2.070 0.000 -0.310) 2.094 14.976 ( -2.070 0.000 0.310) 2.093 14.976 ( 2.071 0.000 -0.310) 2.094 14.976 ( 2.070 0.000 0.310) 2.094 15.281 ( -4.713 0.000 -0.255) 4.719 15.281 ( -4.713 0.000 0.255) 4.719 15.281 ( 4.713 0.000 -0.255) 4.719 15.281 ( 4.713 0.000 0.255) 4.720 15.587 ( -3.112 0.000 -1.159) 3.321 15.587 ( 3.112 0.000 -1.159) 3.321 15.587 ( -3.112 0.000 1.159) 3.321 15.587 ( 3.112 0.000 1.159) 3.321 15.743 ( -4.044 0.000 -3.268) 5.200 15.743 ( 4.044 0.000 -3.268) 5.200 15.743 ( -4.044 0.000 3.268) 5.200 15.743 ( 4.044 0.000 3.268) 5.200 15.961 ( -6.091 0.000 -4.855) 7.790 15.961 ( 6.092 0.000 -4.855) 7.790 15.961 ( -6.091 0.000 4.855) 7.790 15.961 ( 6.092 0.000 4.855) 7.790 16.515 ( -5.033 0.000 -8.788) 10.127 16.515 ( 5.033 0.000 -8.788) 10.127 16.515 ( -5.033 0.000 8.788) 10.127 16.515 ( 5.033 0.000 8.788) 10.127 16.598 ( -4.412 0.000 -11.611) 12.421 16.598 ( 4.412 0.000 -11.611) 12.421 16.598 ( -4.412 0.000 11.611) 12.421 16.598 ( 4.412 0.000 11.611) 12.421 19.217 ( -13.534 0.000 -1.269) 13.594 19.217 ( -13.534 0.000 1.269) 13.594 19.217 ( 13.534 0.000 -1.269) 13.594 19.217 ( 13.534 0.000 1.269) 13.594 19.261 ( -11.662 0.000 -3.495) 12.175 19.261 ( -11.662 0.000 3.496) 12.175 19.261 ( 11.662 0.000 -3.495) 12.175 19.261 ( 11.662 0.000 3.496) 12.175 20.024 ( -18.657 0.000 -1.962) 18.760 20.024 ( -18.657 0.000 1.962) 18.760 20.024 ( 18.657 0.000 -1.962) 18.760 20.024 ( 18.657 0.000 1.962) 18.760 20.057 ( -19.917 0.000 -3.164) 20.167 20.057 ( -19.917 0.000 3.164) 20.167 20.057 ( 19.917 0.000 -3.164) 20.167 20.057 ( 19.917 0.000 3.164) 20.167 26.076 ( -0.805 0.000 -0.590) 0.998 26.076 ( 0.805 0.000 -0.590) 0.998 26.076 ( -0.805 0.000 0.590) 0.998 26.076 ( 0.805 0.000 0.590) 0.998 26.282 ( -1.144 0.000 -0.394) 1.211 26.282 ( 1.144 0.000 -0.394) 1.211 26.282 ( -1.144 0.000 0.394) 1.211 26.282 ( 1.145 0.000 0.394) 1.211 26.632 ( -5.206 0.000 -1.773) 5.500 26.632 ( 5.206 0.000 -1.773) 5.500 26.632 ( -5.206 0.000 1.773) 5.500 26.632 ( 5.206 0.000 1.773) 5.500 27.124 ( -14.590 0.000 -2.537) 14.809 27.124 ( -14.590 0.000 2.537) 14.809 27.124 ( 14.590 0.000 -2.537) 14.809 27.124 ( 14.590 0.000 2.537) 14.809 27.664 ( -10.927 0.000 -0.357) 10.933 27.664 ( -10.927 0.000 0.357) 10.933 27.664 ( 10.927 0.000 -0.357) 10.933 27.664 ( 10.927 0.000 0.357) 10.933 28.107 ( -16.854 0.000 -3.761) 17.268 28.107 ( -16.854 0.000 3.761) 17.268 28.107 ( 16.854 0.000 -3.761) 17.268 28.107 ( 16.854 0.000 3.761) 17.268 29.001 ( -10.842 0.000 -0.446) 10.851 29.001 ( -10.842 0.000 0.446) 10.851 29.001 ( 10.842 0.000 -0.446) 10.851 29.001 ( 10.842 0.000 0.446) 10.851 29.112 ( -10.959 0.000 -0.274) 10.962 29.112 ( -10.959 0.000 0.274) 10.962 29.112 ( 10.959 0.000 -0.274) 10.962 29.112 ( 10.959 0.000 0.274) 10.962 30.309 ( -1.030 0.000 -3.520) 3.667 30.309 ( 1.030 0.000 -3.520) 3.667 30.309 ( -1.030 0.000 3.520) 3.667 30.309 ( 1.030 0.000 3.520) 3.667 30.812 ( -5.987 0.000 -0.365) 5.998 30.812 ( -5.987 0.000 0.365) 5.998 30.812 ( 5.987 0.000 -0.365) 5.998 30.812 ( 5.987 0.000 0.365) 5.998 31.330 ( -12.890 0.000 -4.991) 13.822 31.330 ( 12.890 0.000 -4.991) 13.822 31.330 ( -12.890 0.000 4.991) 13.822 31.330 ( 12.890 0.000 4.991) 13.822 31.603 ( -15.107 0.000 -12.744) 19.765 31.603 ( 15.107 0.000 -12.744) 19.765 31.603 ( -15.107 0.000 12.744) 19.765 31.603 ( 15.107 0.000 12.744) 19.765 ======================= Grid point 121 (43/48) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 0.000 1.951 -37.329) 37.380 2.633 ( 0.000 1.951 37.329) 37.380 2.700 ( 0.000 -0.028 -27.327) 27.327 2.700 ( 0.000 -0.028 27.327) 27.327 2.883 ( 0.000 1.335 -38.733) 38.756 2.883 ( 0.000 1.335 38.733) 38.756 3.127 ( 0.000 -18.982 -28.345) 34.114 3.127 ( 0.000 -18.982 28.345) 34.114 3.813 ( 0.000 14.128 -17.506) 22.495 3.813 ( 0.000 14.128 17.506) 22.495 3.883 ( 0.000 14.165 -8.406) 16.471 3.883 ( 0.000 14.165 8.406) 16.471 4.162 ( 0.000 8.637 -24.218) 25.712 4.162 ( 0.000 8.637 24.218) 25.712 4.174 ( 0.000 -5.333 -6.521) 8.424 4.174 ( 0.000 -5.333 6.521) 8.424 4.501 ( 0.000 -6.344 -20.695) 21.645 4.501 ( 0.000 -6.344 20.695) 21.645 4.546 ( 0.000 -6.425 -14.839) 16.171 4.546 ( 0.000 -6.425 14.839) 16.171 5.002 ( 0.000 9.069 -7.372) 11.688 5.002 ( 0.000 9.069 7.372) 11.688 5.226 ( 0.000 -11.562 -13.676) 17.908 5.226 ( 0.000 -11.562 13.676) 17.908 5.420 ( 0.000 -4.835 -6.449) 8.060 5.420 ( 0.000 -4.835 6.449) 8.060 5.427 ( 0.000 -5.904 -10.659) 12.185 5.427 ( 0.000 -5.904 10.659) 12.185 5.786 ( 0.000 3.355 -3.061) 4.541 5.786 ( 0.000 3.355 3.061) 4.541 5.820 ( 0.000 -0.036 -2.588) 2.588 5.820 ( 0.000 -0.036 2.588) 2.588 6.111 ( 0.000 3.168 -5.468) 6.320 6.111 ( 0.000 3.168 5.468) 6.320 6.173 ( 0.000 -4.845 -7.655) 9.059 6.173 ( 0.000 -4.845 7.655) 9.059 6.388 ( 0.000 9.551 -1.338) 9.644 6.388 ( 0.000 9.551 1.338) 9.644 6.524 ( 0.000 -3.201 -8.281) 8.878 6.524 ( 0.000 -3.201 8.281) 8.878 6.658 ( 0.000 5.489 -6.122) 8.222 6.658 ( 0.000 5.489 6.122) 8.222 6.767 ( 0.000 -5.512 -4.304) 6.993 6.767 ( 0.000 -5.512 4.304) 6.993 6.917 ( 0.000 0.292 -3.392) 3.405 6.917 ( 0.000 0.292 3.392) 3.405 6.954 ( 0.000 -2.819 -4.990) 5.731 6.954 ( 0.000 -2.819 4.990) 5.731 7.320 ( 0.000 6.929 -8.169) 10.712 7.320 ( 0.000 6.929 8.169) 10.712 7.402 ( 0.000 -2.588 -9.027) 9.390 7.402 ( 0.000 -2.588 9.027) 9.390 7.531 ( 0.000 11.272 -15.474) 19.144 7.531 ( 0.000 11.272 15.474) 19.144 7.669 ( 0.000 -0.505 -15.614) 15.622 7.669 ( 0.000 -0.505 15.614) 15.622 7.749 ( 0.000 0.990 -7.318) 7.385 7.749 ( 0.000 0.990 7.318) 7.385 7.862 ( 0.000 -10.154 -18.997) 21.540 7.862 ( 0.000 -10.154 18.997) 21.540 8.189 ( 0.000 2.173 -7.018) 7.347 8.189 ( 0.000 2.173 7.018) 7.347 8.234 ( 0.000 -3.120 -7.981) 8.569 8.234 ( 0.000 -3.120 7.981) 8.569 8.548 ( 0.000 4.507 -1.101) 4.639 8.548 ( 0.000 4.507 1.101) 4.639 8.687 ( 0.000 -10.281 -4.485) 11.216 8.687 ( 0.000 -10.281 4.485) 11.216 9.051 ( 0.000 9.143 -2.197) 9.403 9.051 ( 0.000 9.143 2.197) 9.403 9.204 ( 0.000 -6.045 -1.438) 6.214 9.204 ( 0.000 -6.045 1.438) 6.214 9.378 ( 0.000 6.922 -1.600) 7.104 9.378 ( 0.000 6.922 1.600) 7.104 9.389 ( 0.000 3.615 -3.379) 4.948 9.389 ( 0.000 3.615 3.379) 4.948 9.577 ( 0.000 0.700 -5.671) 5.714 9.577 ( 0.000 0.700 5.671) 5.714 9.622 ( 0.000 -4.685 -5.068) 6.901 9.622 ( 0.000 -4.685 5.068) 6.901 9.840 ( 0.000 -2.593 -6.805) 7.282 9.840 ( 0.000 -2.593 6.805) 7.282 9.857 ( 0.000 -3.659 -1.259) 3.870 9.857 ( 0.000 -3.659 1.259) 3.870 9.979 ( 0.000 3.873 -8.838) 9.649 9.979 ( 0.000 3.873 8.838) 9.649 10.056 ( 0.000 -4.026 -5.710) 6.987 10.056 ( 0.000 -4.026 5.710) 6.987 10.280 ( 0.000 0.071 -4.707) 4.707 10.280 ( 0.000 0.071 4.707) 4.707 10.288 ( 0.000 -0.318 -5.619) 5.628 10.288 ( 0.000 -0.318 5.619) 5.628 10.462 ( 0.000 8.165 -3.323) 8.816 10.462 ( 0.000 8.165 3.323) 8.816 10.616 ( 0.000 -7.170 -7.536) 10.402 10.616 ( 0.000 -7.170 7.536) 10.402 10.833 ( 0.000 0.695 -3.476) 3.544 10.833 ( 0.000 0.695 3.476) 3.544 10.857 ( 0.000 -1.384 -8.779) 8.887 10.857 ( 0.000 -1.384 8.779) 8.887 10.939 ( 0.000 8.474 -5.040) 9.859 10.939 ( 0.000 8.474 5.040) 9.859 11.084 ( 0.000 -6.385 -9.590) 11.521 11.084 ( 0.000 -6.385 9.590) 11.521 11.221 ( 0.000 0.724 -2.512) 2.614 11.221 ( 0.000 0.724 2.512) 2.614 11.230 ( 0.000 -0.174 -5.881) 5.883 11.230 ( 0.000 -0.174 5.881) 5.883 11.505 ( 0.000 5.428 -3.134) 6.268 11.505 ( 0.000 5.428 3.134) 6.268 11.560 ( 0.000 -0.257 -1.938) 1.955 11.560 ( 0.000 -0.257 1.938) 1.955 11.735 ( 0.000 0.703 -7.537) 7.570 11.735 ( 0.000 0.703 7.537) 7.570 11.836 ( 0.000 -9.290 -8.905) 12.868 11.836 ( 0.000 -9.290 8.905) 12.868 12.096 ( 0.000 0.591 -6.290) 6.318 12.096 ( 0.000 0.591 6.290) 6.318 12.099 ( 0.000 0.027 -6.905) 6.905 12.099 ( 0.000 0.027 6.905) 6.905 12.342 ( 0.000 6.216 -4.829) 7.871 12.342 ( 0.000 6.216 4.829) 7.871 12.469 ( 0.000 -6.183 -4.852) 7.860 12.469 ( 0.000 -6.183 4.852) 7.860 12.781 ( 0.000 3.941 -4.200) 5.760 12.781 ( 0.000 3.941 4.201) 5.760 12.813 ( 0.000 1.000 -1.978) 2.217 12.813 ( 0.000 1.000 1.978) 2.217 13.106 ( 0.000 3.237 -3.473) 4.747 13.106 ( 0.000 3.237 3.473) 4.747 13.220 ( 0.000 -7.669 -2.689) 8.127 13.220 ( 0.000 -7.669 2.689) 8.127 13.381 ( 0.000 4.160 -4.283) 5.970 13.381 ( 0.000 4.160 4.283) 5.970 13.476 ( 0.000 -5.172 -3.643) 6.326 13.476 ( 0.000 -5.172 3.643) 6.326 13.691 ( 0.000 6.573 -6.634) 9.339 13.691 ( 0.000 6.573 6.634) 9.339 13.838 ( 0.000 -9.341 -5.331) 10.755 13.838 ( 0.000 -9.341 5.331) 10.755 14.083 ( 0.000 2.971 -2.650) 3.982 14.083 ( 0.000 2.971 2.650) 3.982 14.123 ( 0.000 -0.443 -2.357) 2.399 14.123 ( 0.000 -0.443 2.357) 2.399 14.275 ( 0.000 11.254 -1.192) 11.317 14.275 ( 0.000 11.254 1.192) 11.317 14.395 ( 0.000 4.005 -9.599) 10.401 14.395 ( 0.000 4.005 9.599) 10.401 14.407 ( 0.000 -3.359 -8.814) 9.432 14.407 ( 0.000 -3.359 8.814) 9.432 14.542 ( 0.000 -9.871 -1.812) 10.036 14.542 ( 0.000 -9.871 1.812) 10.036 15.129 ( 0.000 3.630 -1.986) 4.138 15.129 ( 0.000 3.630 1.986) 4.138 15.201 ( 0.000 -3.552 -2.335) 4.251 15.201 ( 0.000 -3.552 2.335) 4.251 15.437 ( 0.000 2.399 -2.818) 3.701 15.437 ( 0.000 2.399 2.818) 3.701 15.468 ( 0.000 -0.030 -1.941) 1.941 15.468 ( 0.000 -0.030 1.941) 1.941 15.594 ( 0.000 -1.256 -7.371) 7.477 15.594 ( 0.000 -1.256 7.371) 7.477 15.599 ( 0.000 -1.149 -10.461) 10.524 15.599 ( 0.000 -1.149 10.461) 10.524 15.922 ( 0.000 0.592 -4.114) 4.156 15.922 ( 0.000 0.592 4.114) 4.156 15.936 ( 0.000 -0.781 -3.625) 3.708 15.936 ( 0.000 -0.781 3.625) 3.708 16.572 ( 0.000 0.678 -2.129) 2.235 16.572 ( 0.000 0.678 2.129) 2.235 16.590 ( 0.000 -1.190 -4.953) 5.094 16.590 ( 0.000 -1.190 4.953) 5.094 17.019 ( 0.000 6.012 -4.440) 7.474 17.019 ( 0.000 6.012 4.440) 7.474 17.123 ( 0.000 -4.580 -4.883) 6.695 17.123 ( 0.000 -4.580 4.883) 6.695 18.627 ( 0.000 6.030 -5.896) 8.434 18.627 ( 0.000 6.030 5.896) 8.434 18.759 ( 0.000 -7.236 -7.510) 10.429 18.759 ( 0.000 -7.236 7.510) 10.429 19.628 ( 0.000 2.323 -2.367) 3.316 19.628 ( 0.000 2.323 2.367) 3.316 19.668 ( 0.000 -1.744 -2.823) 3.318 19.668 ( 0.000 -1.744 2.823) 3.318 21.375 ( 0.000 0.292 -2.303) 2.321 21.375 ( 0.000 0.292 2.303) 2.321 21.380 ( 0.000 -0.278 -3.327) 3.338 21.380 ( 0.000 -0.278 3.327) 3.338 21.785 ( 0.000 1.031 -5.113) 5.216 21.785 ( 0.000 1.031 5.113) 5.216 21.808 ( 0.000 -1.299 -3.673) 3.896 21.808 ( 0.000 -1.299 3.673) 3.896 24.996 ( 0.000 0.015 -0.201) 0.201 24.996 ( 0.000 0.015 0.201) 0.201 24.996 ( 0.000 -0.020 -0.219) 0.220 24.996 ( 0.000 -0.020 0.219) 0.220 26.289 ( 0.000 0.930 -1.039) 1.395 26.289 ( 0.000 0.930 1.039) 1.395 26.309 ( 0.000 -1.114 -3.126) 3.319 26.309 ( 0.000 -1.114 3.126) 3.319 26.643 ( 0.000 1.268 -3.805) 4.010 26.643 ( 0.000 1.268 3.805) 4.010 26.674 ( 0.000 -1.939 -5.431) 5.767 26.674 ( 0.000 -1.939 5.431) 5.767 26.863 ( 0.000 5.644 -4.743) 7.372 26.863 ( 0.000 5.644 4.743) 7.372 27.006 ( 0.000 -10.208 -4.901) 11.324 27.006 ( 0.000 -10.208 4.901) 11.324 27.346 ( 0.000 0.076 -1.633) 1.635 27.346 ( 0.000 0.076 1.633) 1.635 27.348 ( 0.000 -0.093 -2.248) 2.250 27.348 ( 0.000 -0.093 2.248) 2.250 27.723 ( 0.000 21.289 -8.316) 22.856 27.723 ( 0.000 21.289 8.316) 22.856 28.083 ( 0.000 -16.197 -10.099) 19.088 28.083 ( 0.000 -16.197 10.099) 19.088 29.235 ( 0.000 8.617 -4.968) 9.947 29.235 ( 0.000 8.617 4.968) 9.947 29.406 ( 0.000 -8.777 -1.791) 8.958 29.406 ( 0.000 -8.777 1.791) 8.958 30.087 ( 0.000 1.078 -1.537) 1.877 30.087 ( 0.000 1.078 1.537) 1.877 30.114 ( 0.000 -1.628 -3.287) 3.668 30.114 ( 0.000 -1.628 3.287) 3.668 30.356 ( 0.000 3.524 -1.503) 3.831 30.356 ( 0.000 3.524 1.503) 3.831 30.415 ( 0.000 -2.139 -5.814) 6.195 30.415 ( 0.000 -2.139 5.814) 6.195 30.700 ( 0.000 1.592 -2.104) 2.639 30.700 ( 0.000 1.592 2.104) 2.639 30.716 ( 0.000 -0.312 -0.283) 0.421 30.716 ( 0.000 -0.312 0.283) 0.421 30.964 ( 0.000 10.265 -3.729) 10.921 30.964 ( 0.000 10.265 3.729) 10.921 31.183 ( 0.000 -11.193 -2.815) 11.542 31.183 ( 0.000 -11.193 2.815) 11.542 33.131 ( 0.000 7.893 -6.529) 10.243 33.131 ( 0.000 7.893 6.529) 10.243 33.286 ( 0.000 -7.556 -5.008) 9.065 33.286 ( 0.000 -7.556 5.008) 9.065 ======================= Grid point 123 (44/48) ======================= q-point: ( 0.10 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -7.417 2.686 -26.058) 27.226 2.512 ( -7.417 2.686 26.058) 27.226 2.650 ( -0.996 -11.569 -26.191) 28.650 2.650 ( -0.996 -11.569 26.191) 28.650 3.129 ( 21.249 11.091 -31.604) 39.666 3.129 ( 21.249 11.091 31.604) 39.666 3.372 ( 16.136 -13.938 -23.591) 31.799 3.372 ( 16.136 -13.938 23.591) 31.799 3.863 ( 8.586 17.292 -11.917) 22.688 3.863 ( 8.586 17.292 11.917) 22.688 4.099 ( 10.874 14.663 -9.882) 20.758 4.099 ( 10.874 14.663 9.882) 20.758 4.185 ( 11.563 -5.761 -9.955) 16.309 4.185 ( 11.563 -5.761 9.955) 16.309 4.441 ( 14.255 -3.596 -5.785) 15.799 4.441 ( 14.255 -3.596 5.785) 15.799 4.532 ( 11.040 -1.243 -8.236) 13.829 4.532 ( 11.040 -1.243 8.236) 13.829 4.708 ( 13.966 -7.840 -4.848) 16.733 4.708 ( 13.966 -7.840 4.848) 16.733 5.063 ( 11.437 4.578 -2.934) 12.664 5.063 ( 11.437 4.578 2.934) 12.664 5.198 ( 2.165 -10.178 -4.961) 11.528 5.198 ( 2.165 -10.178 4.961) 11.528 5.501 ( 8.182 2.539 -7.848) 11.619 5.501 ( 8.182 2.539 7.848) 11.619 5.618 ( 12.154 -8.408 -12.052) 19.070 5.618 ( 12.154 -8.408 12.052) 19.070 5.833 ( 6.966 8.398 -11.481) 15.839 5.833 ( 6.966 8.398 11.481) 15.839 5.980 ( 8.292 -7.523 -11.328) 15.927 5.980 ( 8.292 -7.523 11.328) 15.927 6.144 ( -1.295 2.265 -4.524) 5.222 6.144 ( -1.295 2.265 4.524) 5.222 6.162 ( -1.159 -1.167 -2.973) 3.397 6.162 ( -1.159 -1.167 2.973) 3.397 6.285 ( -1.609 6.790 -2.243) 7.329 6.285 ( -1.609 6.790 2.243) 7.329 6.407 ( -7.938 -4.630 -1.312) 9.283 6.407 ( -7.938 -4.630 1.312) 9.283 6.663 ( 2.923 7.527 -3.535) 8.815 6.663 ( 2.923 7.527 3.535) 8.815 6.787 ( 1.513 -3.784 -6.955) 8.061 6.787 ( 1.513 -3.784 6.955) 8.061 6.959 ( 4.850 3.570 -2.934) 6.700 6.959 ( 4.850 3.570 2.934) 6.700 7.067 ( 8.436 -4.348 -1.142) 9.559 7.067 ( 8.436 -4.348 1.142) 9.559 7.293 ( -1.180 7.264 -5.397) 9.126 7.293 ( -1.180 7.264 5.397) 9.126 7.409 ( -1.044 -4.975 -3.277) 6.049 7.409 ( -1.044 -4.975 3.277) 6.049 7.595 ( 6.132 5.695 -13.395) 15.795 7.595 ( 6.132 5.695 13.395) 15.795 7.699 ( 0.565 -2.888 -10.492) 10.897 7.699 ( 0.565 -2.888 10.492) 10.897 7.801 ( 6.466 4.092 -9.989) 12.583 7.801 ( 6.466 4.092 9.989) 12.583 7.920 ( 5.765 -4.943 -8.565) 11.447 7.920 ( 5.765 -4.943 8.565) 11.447 8.216 ( 2.627 2.037 -4.953) 5.965 8.216 ( 2.627 2.037 4.953) 5.965 8.268 ( 3.230 -3.139 -5.567) 7.160 8.268 ( 3.230 -3.139 5.567) 7.160 8.521 ( -2.860 3.817 -0.415) 4.787 8.521 ( -2.860 3.817 0.415) 4.787 8.645 ( -4.526 -9.152 -3.846) 10.910 8.645 ( -4.526 -9.152 3.846) 10.910 8.939 ( -9.551 7.953 -2.963) 12.777 8.939 ( -9.551 7.953 2.963) 12.777 9.067 ( -11.332 -4.855 -3.818) 12.906 9.067 ( -11.332 -4.855 3.818) 12.906 9.306 ( -9.908 5.862 -3.606) 12.064 9.306 ( -9.908 5.862 3.606) 12.064 9.392 ( -2.821 2.886 -4.360) 5.941 9.392 ( -2.821 2.886 4.360) 5.941 9.478 ( -5.380 -2.446 -10.623) 12.157 9.478 ( -5.380 -2.446 10.623) 12.157 9.553 ( -4.211 -5.327 -9.699) 11.840 9.553 ( -4.211 -5.327 9.699) 11.840 9.783 ( -5.477 2.434 -2.486) 6.488 9.783 ( -5.477 2.434 2.486) 6.488 9.831 ( -3.661 -0.039 -2.116) 4.229 9.831 ( -3.661 -0.039 2.116) 4.229 9.940 ( -3.394 1.539 -5.977) 7.044 9.940 ( -3.394 1.539 5.977) 7.044 10.011 ( -4.811 -3.468 -6.546) 8.834 10.011 ( -4.811 -3.468 6.546) 8.834 10.165 ( -6.515 4.010 -2.898) 8.180 10.165 ( -6.515 4.010 2.898) 8.180 10.252 ( -5.312 -4.545 -2.584) 7.453 10.252 ( -5.312 -4.545 2.584) 7.453 10.507 ( 3.355 5.575 -4.743) 8.052 10.507 ( 3.355 5.575 4.743) 8.052 10.626 ( -1.671 -6.095 -5.172) 8.166 10.626 ( -1.671 -6.095 5.172) 8.166 10.769 ( -2.563 2.623 -3.276) 4.917 10.769 ( -2.563 2.623 3.276) 4.917 10.830 ( -1.345 -2.754 -2.794) 4.147 10.830 ( -1.345 -2.754 2.794) 4.147 11.005 ( 0.590 3.301 -3.404) 4.778 11.005 ( 0.590 3.301 3.404) 4.778 11.085 ( 0.222 -5.021 -4.141) 6.512 11.085 ( 0.222 -5.021 4.141) 6.512 11.245 ( 4.116 2.649 -4.672) 6.767 11.245 ( 4.116 2.649 4.672) 6.767 11.275 ( 4.539 0.682 -6.779) 8.187 11.275 ( 4.539 0.682 6.779) 8.187 11.541 ( 3.188 8.287 -4.048) 9.758 11.541 ( 3.188 8.287 4.048) 9.758 11.695 ( 9.824 -5.077 -2.152) 11.265 11.695 ( 9.824 -5.077 2.152) 11.265 11.753 ( 2.183 -1.051 -6.110) 6.572 11.753 ( 2.183 -1.051 6.110) 6.572 11.805 ( 0.066 -5.960 -7.581) 9.644 11.805 ( 0.066 -5.960 7.581) 9.644 12.094 ( 0.619 2.844 -4.658) 5.493 12.094 ( 0.619 2.844 4.658) 5.493 12.133 ( 1.741 -1.322 -6.100) 6.480 12.133 ( 1.741 -1.322 6.100) 6.480 12.320 ( -1.260 6.860 -7.080) 9.939 12.320 ( -1.260 6.860 7.080) 9.939 12.450 ( -1.445 -6.053 -4.803) 7.861 12.450 ( -1.445 -6.053 4.803) 7.861 12.715 ( -2.577 5.082 -3.459) 6.666 12.715 ( -2.577 5.082 3.459) 6.666 12.822 ( -1.493 -5.134 -2.610) 5.949 12.822 ( -1.493 -5.134 2.610) 5.949 13.162 ( 1.585 5.636 -2.191) 6.251 13.162 ( 1.585 5.636 2.191) 6.251 13.263 ( 0.879 -4.450 -3.854) 5.952 13.263 ( 0.879 -4.450 3.854) 5.952 13.434 ( 7.365 2.681 -3.730) 8.680 13.434 ( 7.365 2.681 3.730) 8.680 13.505 ( 4.468 -4.453 -3.035) 7.000 13.505 ( 4.468 -4.453 3.035) 7.000 13.783 ( 5.538 5.574 -3.514) 8.607 13.783 ( 5.538 5.574 3.514) 8.607 13.903 ( 4.620 -6.977 -3.761) 9.175 13.903 ( 4.620 -6.977 3.761) 9.175 14.045 ( 0.645 3.428 -3.780) 5.143 14.045 ( 0.645 3.428 3.780) 5.143 14.118 ( -1.938 -2.849 -2.489) 4.251 14.118 ( -1.938 -2.849 2.489) 4.251 14.363 ( 5.555 9.174 -4.087) 11.477 14.363 ( 5.555 9.174 4.087) 11.477 14.424 ( 5.432 3.678 -8.880) 11.040 14.424 ( 5.432 3.678 8.880) 11.040 14.487 ( 5.641 -2.602 -8.125) 10.228 14.487 ( 5.641 -2.602 8.125) 10.228 14.580 ( 5.117 -8.935 -3.407) 10.846 14.580 ( 5.117 -8.935 3.407) 10.846 15.123 ( -0.009 2.560 -1.842) 3.154 15.123 ( -0.009 2.560 1.842) 3.154 15.171 ( -1.018 -1.993 -3.113) 3.834 15.171 ( -1.018 -1.993 3.113) 3.834 15.367 ( -3.446 3.535 -3.523) 6.065 15.367 ( -3.446 3.535 3.523) 6.065 15.437 ( -3.216 -3.628 -2.243) 5.342 15.437 ( -3.216 -3.628 2.243) 5.342 15.596 ( 2.927 3.848 -5.326) 7.193 15.596 ( 2.927 3.848 5.326) 7.193 15.674 ( 3.976 -3.984 -3.278) 6.513 15.674 ( 3.976 -3.984 3.278) 6.513 15.977 ( 4.425 2.462 -1.790) 5.371 15.977 ( 4.425 2.462 1.790) 5.371 16.020 ( 6.233 -1.788 -2.022) 6.793 16.020 ( 6.233 -1.788 2.022) 6.793 16.498 ( -6.849 2.173 -1.762) 7.398 16.498 ( -6.849 2.173 1.762) 7.398 16.550 ( -3.808 -3.047 -2.774) 5.611 16.550 ( -3.808 -3.047 2.774) 5.611 16.994 ( -2.715 4.132 -4.073) 6.405 16.994 ( -2.715 4.132 4.073) 6.405 17.066 ( -5.507 -3.199 -4.440) 7.763 17.066 ( -5.507 -3.199 4.440) 7.763 18.568 ( -5.597 6.480 -6.050) 10.484 18.568 ( -5.597 6.480 6.050) 10.484 18.709 ( -4.909 -7.658 -6.083) 10.943 18.709 ( -4.909 -7.658 6.083) 10.943 19.606 ( -1.907 2.304 -1.784) 3.482 19.606 ( -1.907 2.304 1.784) 3.482 19.646 ( -2.016 -1.698 -2.365) 3.541 19.646 ( -2.016 -1.698 2.365) 3.541 21.270 ( -10.615 0.801 -1.778) 10.792 21.270 ( -10.615 0.801 1.778) 10.792 21.287 ( -9.991 -0.852 -2.883) 10.433 21.287 ( -9.991 -0.852 2.883) 10.433 21.686 ( -10.106 1.558 -3.595) 10.839 21.686 ( -10.106 1.558 3.595) 10.839 21.719 ( -9.455 -1.732 -2.253) 9.873 21.719 ( -9.455 -1.732 2.253) 9.873 25.119 ( 11.849 0.387 -1.484) 11.948 25.119 ( 11.849 0.387 1.484) 11.948 25.127 ( 12.506 -0.460 -2.051) 12.681 25.127 ( 12.506 -0.460 2.051) 12.681 26.305 ( 1.142 0.198 -0.820) 1.420 26.305 ( 1.142 0.198 0.820) 1.420 26.312 ( 1.034 -0.414 -0.613) 1.271 26.312 ( 1.034 -0.414 0.613) 1.271 26.647 ( 0.030 1.177 -3.567) 3.756 26.647 ( 0.030 1.177 3.567) 3.756 26.671 ( -0.894 -1.235 -5.891) 6.085 26.671 ( -0.894 -1.235 5.891) 6.085 26.897 ( 3.766 4.214 -3.549) 6.674 26.897 ( 3.766 4.214 3.549) 6.674 27.010 ( 1.209 -8.168 -5.045) 9.676 27.010 ( 1.209 -8.168 5.045) 9.676 27.414 ( 4.803 3.671 -0.727) 6.089 27.414 ( 4.803 3.671 0.727) 6.089 27.454 ( 9.241 -1.394 -0.771) 9.377 27.454 ( 9.241 -1.394 0.771) 9.377 27.751 ( 4.628 16.361 -7.942) 18.766 27.751 ( 4.628 16.361 7.942) 18.766 28.067 ( -1.053 -15.559 -9.623) 18.325 28.067 ( -1.053 -15.559 9.623) 18.325 29.152 ( -8.495 9.794 -4.652) 13.774 29.152 ( -8.495 9.794 4.652) 13.774 29.338 ( -7.114 -9.226 -1.578) 11.757 29.338 ( -7.114 -9.226 1.578) 11.757 30.035 ( -5.538 0.743 -1.613) 5.816 30.035 ( -5.538 0.743 1.613) 5.816 30.049 ( -6.459 -0.636 -3.652) 7.448 30.049 ( -6.459 -0.636 3.652) 7.448 30.344 ( -0.971 2.736 -1.734) 3.381 30.344 ( -0.971 2.736 1.734) 3.381 30.399 ( -1.387 -2.799 -5.244) 6.104 30.399 ( -1.387 -2.799 5.244) 6.104 30.721 ( 2.166 3.425 -2.300) 4.660 30.721 ( 2.166 3.425 2.300) 4.660 30.760 ( 4.169 -1.166 -0.872) 4.416 30.760 ( 4.169 -1.166 0.872) 4.416 30.936 ( -2.448 10.001 -3.707) 10.943 30.936 ( -2.448 10.001 3.707) 10.943 31.157 ( -2.691 -11.417 -2.897) 12.082 31.157 ( -2.691 -11.417 2.897) 12.082 32.966 ( -16.111 7.502 -8.026) 19.501 32.966 ( -16.111 7.502 8.026) 19.501 33.111 ( -16.946 -6.927 -8.007) 19.981 33.111 ( -16.946 -6.927 8.007) 19.981 ======================= Grid point 125 (45/48) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 5.032 9.644 -24.201) 26.533 2.476 ( 5.032 9.644 24.201) 26.533 2.718 ( 7.114 -15.123 -30.714) 34.967 2.718 ( 7.114 -15.123 30.714) 34.967 3.514 ( 17.867 4.639 -23.604) 29.965 3.514 ( 17.867 4.639 23.604) 29.965 3.626 ( 11.724 -6.039 -17.526) 21.933 3.626 ( 11.724 -6.039 17.526) 21.933 4.067 ( 9.291 18.884 -10.093) 23.341 4.067 ( 9.291 18.884 10.093) 23.341 4.320 ( 13.572 14.378 -14.153) 24.315 4.320 ( 13.572 14.378 14.153) 24.315 4.442 ( 10.998 -13.233 -8.766) 19.312 4.442 ( 10.998 -13.233 8.766) 19.312 4.657 ( 10.492 -5.824 -2.455) 12.248 4.657 ( 10.492 -5.824 2.455) 12.248 4.795 ( 12.779 -5.849 -7.130) 15.759 4.795 ( 12.779 -5.849 7.130) 15.759 4.940 ( 8.798 -10.683 -4.122) 14.440 4.940 ( 8.798 -10.683 4.122) 14.440 5.411 ( 13.895 7.973 -5.067) 16.802 5.411 ( 13.895 7.973 5.067) 16.802 5.500 ( 4.068 -1.470 -3.131) 5.339 5.500 ( 4.068 -1.470 3.131) 5.339 5.681 ( 20.260 5.955 -6.067) 21.971 5.681 ( 20.260 5.955 6.067) 21.971 5.793 ( 12.378 -4.993 -1.612) 13.444 5.793 ( 12.378 -4.993 1.612) 13.444 5.893 ( -0.438 3.760 -3.941) 5.464 5.893 ( -0.438 3.760 3.941) 5.464 6.015 ( 5.728 -7.926 -3.730) 10.467 6.015 ( 5.728 -7.926 3.730) 10.467 6.091 ( 7.864 6.546 -1.706) 10.373 6.091 ( 7.864 6.546 1.706) 10.373 6.236 ( 2.546 -6.378 -0.924) 6.929 6.236 ( 2.546 -6.378 0.924) 6.929 6.404 ( 10.316 5.843 -6.665) 13.601 6.404 ( 10.316 5.843 6.665) 13.601 6.488 ( 12.233 -3.341 -5.580) 13.854 6.488 ( 12.233 -3.341 5.580) 13.854 6.783 ( 9.911 4.867 -4.148) 11.795 6.783 ( 9.911 4.867 4.148) 11.795 6.821 ( 1.742 1.804 -5.785) 6.306 6.821 ( 1.742 1.804 5.785) 6.306 7.043 ( 3.635 5.985 -4.396) 8.268 7.043 ( 3.635 5.985 4.396) 8.268 7.199 ( 1.939 -8.808 -12.194) 15.167 7.199 ( 1.939 -8.808 12.194) 15.167 7.318 ( 4.513 2.347 -1.265) 5.242 7.318 ( 4.513 2.347 1.265) 5.242 7.393 ( 1.515 -3.491 -4.650) 6.009 7.393 ( 1.515 -3.491 4.650) 6.009 7.667 ( 0.672 3.555 -4.768) 5.985 7.667 ( 0.672 3.555 4.768) 5.985 7.771 ( 8.973 -5.916 -5.332) 11.997 7.771 ( 8.973 -5.916 5.332) 11.997 7.971 ( 8.098 4.925 -5.324) 10.872 7.971 ( 8.098 4.925 5.324) 10.872 8.029 ( 4.344 0.037 -3.611) 5.649 8.029 ( 4.344 0.037 3.611) 5.649 8.255 ( -3.287 1.068 -3.821) 5.152 8.255 ( -3.287 1.068 3.821) 5.152 8.298 ( -0.889 -1.672 -4.584) 4.960 8.298 ( -0.889 -1.672 4.584) 4.960 8.467 ( -0.019 -0.378 -3.082) 3.105 8.467 ( -0.019 -0.378 3.082) 3.105 8.510 ( -7.644 -4.473 -1.284) 8.949 8.510 ( -7.644 -4.473 1.284) 8.949 8.774 ( -5.526 6.556 -2.710) 8.992 8.774 ( -5.526 6.556 2.710) 8.992 8.878 ( -5.712 -4.095 -2.226) 7.373 8.878 ( -5.712 -4.095 2.226) 7.373 9.084 ( -10.122 7.186 -8.129) 14.838 9.084 ( -10.122 7.186 8.129) 14.838 9.246 ( -8.046 -7.357 -9.465) 14.438 9.246 ( -8.046 -7.357 9.465) 14.438 9.438 ( -2.900 4.716 -2.224) 5.966 9.438 ( -2.900 4.716 2.224) 5.966 9.522 ( -0.697 -2.070 -2.104) 3.033 9.522 ( -0.697 -2.070 2.104) 3.033 9.605 ( -9.024 5.494 -7.462) 12.934 9.605 ( -9.024 5.494 7.462) 12.934 9.751 ( -2.793 -3.925 -2.626) 5.486 9.751 ( -2.793 -3.925 2.626) 5.486 9.843 ( -4.660 0.539 -7.717) 9.031 9.843 ( -4.660 0.539 7.717) 9.031 9.907 ( -2.989 -3.488 -7.073) 8.434 9.907 ( -2.989 -3.488 7.073) 8.434 10.137 ( 1.479 1.449 -5.931) 6.282 10.137 ( 1.479 1.449 5.931) 6.282 10.194 ( -0.217 -4.203 -4.742) 6.341 10.194 ( -0.217 -4.203 4.742) 6.341 10.462 ( -8.242 4.923 -2.714) 9.976 10.462 ( -8.242 4.923 2.714) 9.976 10.527 ( -5.801 0.482 -1.654) 6.052 10.527 ( -5.801 0.482 1.654) 6.052 10.777 ( 0.065 -0.883 -7.967) 8.016 10.777 ( 0.065 -0.883 7.967) 8.016 10.800 ( -1.522 -3.111 -3.571) 4.975 10.800 ( -1.522 -3.111 3.571) 4.975 10.976 ( -0.257 4.921 -4.748) 6.843 10.976 ( -0.257 4.921 4.748) 6.843 11.112 ( 1.757 -8.911 -5.320) 10.527 11.112 ( 1.757 -8.911 5.320) 10.527 11.338 ( 3.606 2.557 -4.977) 6.657 11.338 ( 3.606 2.557 4.977) 6.657 11.365 ( 3.452 0.255 -4.354) 5.562 11.365 ( 3.452 0.255 4.354) 5.562 11.579 ( 0.045 7.310 -4.085) 8.374 11.579 ( 0.045 7.310 4.085) 8.374 11.683 ( -4.686 -5.131 -4.549) 8.305 11.683 ( -4.686 -5.131 4.549) 8.305 11.857 ( 1.836 2.435 -2.353) 3.852 11.857 ( 1.836 2.435 2.353) 3.852 11.911 ( 5.986 -2.080 -2.046) 6.660 11.911 ( 5.986 -2.080 2.046) 6.660 12.150 ( 3.606 2.462 -3.365) 5.512 12.150 ( 3.606 2.462 3.365) 5.512 12.180 ( 4.796 -1.803 -4.865) 7.066 12.180 ( 4.796 -1.803 4.865) 7.066 12.346 ( 5.501 4.377 -6.856) 9.819 12.346 ( 5.501 4.377 6.856) 9.819 12.442 ( 1.763 -4.544 -3.814) 6.189 12.442 ( 1.763 -4.544 3.814) 6.189 12.684 ( -1.216 3.760 -2.333) 4.589 12.684 ( -1.216 3.760 2.333) 4.589 12.791 ( -0.948 -5.307 -3.514) 6.435 12.791 ( -0.948 -5.307 3.514) 6.435 13.100 ( -5.753 5.768 -1.727) 8.327 13.100 ( -5.753 5.768 1.727) 8.327 13.248 ( -2.894 -9.843 -2.364) 10.529 13.248 ( -2.894 -9.843 2.364) 10.529 13.569 ( 5.544 5.358 -3.350) 8.407 13.569 ( 5.544 5.358 3.350) 8.407 13.631 ( 4.617 -0.122 -0.341) 4.631 13.631 ( 4.617 -0.122 0.341) 4.631 13.753 ( -7.072 8.275 -1.877) 11.046 13.753 ( -7.072 8.275 1.877) 11.046 13.899 ( -6.074 -6.626 -2.320) 9.283 13.899 ( -6.074 -6.626 2.320) 9.283 14.143 ( 7.991 -0.523 -1.629) 8.172 14.143 ( 7.991 -0.523 1.629) 8.172 14.180 ( 7.890 -4.444 -2.727) 9.457 14.180 ( 7.890 -4.444 2.727) 9.457 14.456 ( 6.338 5.892 -3.079) 9.185 14.456 ( 6.338 5.892 3.079) 9.185 14.540 ( 5.223 2.091 -1.890) 5.935 14.540 ( 5.223 2.091 1.890) 5.935 14.596 ( 5.815 0.313 -4.552) 7.391 14.596 ( 5.815 0.313 4.552) 7.391 14.712 ( 5.985 -7.125 -0.812) 9.340 14.712 ( 5.985 -7.125 0.812) 9.340 15.169 ( 3.765 5.956 -3.608) 7.916 15.169 ( 3.765 5.956 3.608) 7.916 15.253 ( 8.636 -2.181 -3.143) 9.446 15.253 ( 8.636 -2.181 3.143) 9.446 15.393 ( 8.553 -0.017 -2.100) 8.807 15.393 ( 8.553 -0.017 2.100) 8.807 15.421 ( 3.370 -2.756 -1.307) 4.545 15.421 ( 3.370 -2.756 1.307) 4.545 15.644 ( 1.057 4.417 -4.559) 6.435 15.644 ( 1.057 4.417 4.559) 6.435 15.724 ( 0.736 -3.571 -3.415) 4.995 15.724 ( 0.736 -3.571 3.415) 4.995 16.031 ( 0.115 3.532 -2.314) 4.225 16.031 ( 0.115 3.532 2.314) 4.225 16.102 ( 0.540 -3.803 -4.698) 6.069 16.102 ( 0.540 -3.803 4.698) 6.069 16.363 ( -5.263 5.363 -1.428) 7.648 16.363 ( -5.263 5.363 1.428) 7.648 16.468 ( -4.194 -5.367 -0.974) 6.880 16.468 ( -4.194 -5.367 0.974) 6.880 16.914 ( -5.226 1.526 -5.158) 7.500 16.914 ( -5.226 1.526 5.158) 7.500 16.938 ( -6.884 -0.931 -4.452) 8.251 16.938 ( -6.884 -0.931 4.452) 8.251 18.454 ( -4.703 6.830 -5.448) 9.922 18.454 ( -4.703 6.830 5.448) 9.922 18.600 ( -5.215 -7.773 -3.438) 9.972 18.600 ( -5.215 -7.773 3.438) 9.972 19.574 ( -0.841 1.999 -0.960) 2.371 19.574 ( -0.841 1.999 0.960) 2.371 19.608 ( -1.308 -1.470 -1.433) 2.434 19.608 ( -1.308 -1.470 1.433) 2.434 20.967 ( -20.716 1.153 -1.116) 20.778 20.967 ( -20.716 1.153 1.116) 20.778 20.992 ( -20.539 -1.299 -2.292) 20.708 20.992 ( -20.539 -1.299 2.292) 20.708 21.399 ( -19.406 2.004 -2.932) 19.728 21.399 ( -19.406 2.004 2.932) 19.728 21.439 ( -19.359 -2.003 -2.076) 19.573 21.439 ( -19.359 -2.003 2.076) 19.573 25.402 ( 16.216 0.828 -5.091) 17.016 25.402 ( 16.216 0.828 5.091) 17.016 25.420 ( 16.404 -0.923 -5.968) 17.480 25.420 ( 16.404 -0.923 5.968) 17.480 26.324 ( 1.506 1.828 -0.339) 2.393 26.324 ( 1.506 1.828 0.339) 2.393 26.366 ( 3.808 -2.339 -0.275) 4.477 26.366 ( 3.808 -2.339 0.275) 4.477 26.624 ( -2.815 0.392 -4.788) 5.568 26.624 ( -2.815 0.392 4.788) 5.568 26.633 ( -2.610 -0.482 -3.953) 4.762 26.633 ( -2.610 -0.482 3.953) 4.762 26.995 ( 5.397 4.071 -2.611) 7.247 26.995 ( 5.397 4.071 2.611) 7.247 27.086 ( 6.951 -5.462 -4.425) 9.886 27.086 ( 6.951 -5.462 4.425) 9.886 27.434 ( -1.964 10.716 -2.257) 11.126 27.434 ( -1.964 10.716 2.257) 11.126 27.606 ( 3.079 -6.856 -2.379) 7.883 27.606 ( 3.079 -6.856 2.379) 7.883 27.953 ( 15.046 5.423 -6.681) 17.332 27.953 ( 15.046 5.423 6.681) 17.332 28.101 ( 6.664 -10.004 -7.908) 14.389 28.101 ( 6.664 -10.004 7.908) 14.389 28.925 ( -14.185 11.848 -4.074) 18.926 28.925 ( -14.185 11.848 4.074) 18.926 29.135 ( -13.641 -9.736 -1.318) 16.811 29.135 ( -13.641 -9.736 1.318) 16.811 29.863 ( -11.600 1.513 -3.106) 12.104 29.863 ( -11.600 1.513 3.106) 12.104 29.890 ( -10.195 -1.285 -2.654) 10.613 29.890 ( -10.195 -1.285 2.654) 10.613 30.327 ( -0.695 1.770 -2.047) 2.794 30.327 ( -0.695 1.770 2.047) 2.794 30.376 ( -0.665 -2.998 -4.495) 5.444 30.376 ( -0.665 -2.998 4.495) 5.444 30.756 ( -0.062 9.535 -5.512) 11.013 30.756 ( -0.062 9.535 5.512) 11.013 30.849 ( 4.021 -0.087 -2.302) 4.634 30.849 ( 4.021 -0.087 2.302) 4.634 30.925 ( 3.881 2.782 -5.421) 7.225 30.925 ( 3.881 2.782 5.421) 7.225 31.087 ( -4.132 -11.208 -2.425) 12.189 31.087 ( -4.132 -11.208 2.425) 12.189 32.570 ( -23.269 7.228 -10.745) 26.630 32.570 ( -23.269 7.228 10.745) 26.630 32.703 ( -23.473 -6.102 -13.258) 27.640 32.703 ( -23.473 -6.102 13.258) 27.640 ======================= Grid point 127 (46/48) ======================= q-point: ( 0.30 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( 15.472 10.497 -18.514) 26.312 2.686 ( 15.472 10.497 18.514) 26.312 2.906 ( 12.380 -11.821 -21.845) 27.752 2.906 ( 12.380 -11.821 21.845) 27.752 3.801 ( 9.849 5.662 -11.291) 16.017 3.801 ( 9.849 5.662 11.291) 16.017 3.914 ( 17.717 -2.864 -6.325) 19.029 3.914 ( 17.717 -2.864 6.325) 19.029 4.184 ( 5.708 9.562 -2.170) 11.346 4.184 ( 5.708 9.562 2.170) 11.346 4.443 ( -9.482 -12.682 -2.316) 16.004 4.443 ( -9.482 -12.682 2.316) 16.004 4.616 ( 15.803 10.378 -17.506) 25.767 4.616 ( 15.803 10.378 17.506) 25.767 4.883 ( 9.761 -14.827 -12.728) 21.843 4.883 ( 9.761 -14.827 12.728) 21.843 4.998 ( 7.495 5.708 -3.567) 10.074 4.998 ( 7.495 5.708 3.567) 10.074 5.144 ( 8.698 -7.910 -2.290) 11.978 5.144 ( 8.698 -7.910 2.290) 11.978 5.330 ( -3.507 3.718 -5.785) 7.719 5.330 ( -3.507 3.718 5.785) 7.719 5.415 ( -4.735 -3.803 -3.766) 7.146 5.415 ( -4.735 -3.803 3.766) 7.146 5.862 ( 3.884 7.506 -4.728) 9.684 5.862 ( 3.884 7.506 4.728) 9.684 5.941 ( -4.068 -0.867 -1.613) 4.461 5.941 ( -4.068 -0.867 1.613) 4.461 6.088 ( 4.416 2.539 -4.581) 6.851 6.088 ( 4.416 2.539 4.581) 6.851 6.179 ( 7.483 -5.612 -6.901) 11.624 6.179 ( 7.483 -5.612 6.901) 11.624 6.342 ( 11.012 11.045 -3.868) 16.070 6.342 ( 11.012 11.045 3.868) 16.070 6.475 ( 16.608 -2.176 -4.327) 17.300 6.475 ( 16.608 -2.176 4.327) 17.300 6.625 ( 11.288 2.839 -5.366) 12.817 6.625 ( 11.288 2.839 5.366) 12.817 6.644 ( 6.172 0.370 -3.285) 7.002 6.644 ( 6.172 0.370 3.285) 7.002 6.864 ( 1.820 0.967 -4.000) 4.500 6.864 ( 1.820 0.967 4.000) 4.500 6.954 ( 2.376 -4.673 -4.449) 6.876 6.954 ( 2.376 -4.673 4.449) 6.876 7.193 ( 12.249 5.155 -4.066) 13.897 7.193 ( 12.249 5.155 4.066) 13.897 7.269 ( 8.620 -1.999 -4.978) 10.153 7.269 ( 8.620 -1.999 4.978) 10.153 7.434 ( 8.143 -2.166 -1.695) 8.595 7.434 ( 8.143 -2.166 1.695) 8.595 7.500 ( 11.989 -6.176 -1.169) 13.537 7.500 ( 11.989 -6.176 1.169) 13.537 7.677 ( -2.468 9.427 -10.484) 14.314 7.677 ( -2.468 9.427 10.484) 14.314 7.870 ( -0.837 -9.955 -7.358) 12.407 7.870 ( -0.837 -9.955 7.358) 12.407 7.967 ( -5.547 3.292 -6.197) 8.945 7.967 ( -5.547 3.292 6.197) 8.945 8.046 ( -2.295 -4.399 -2.924) 5.759 8.046 ( -2.295 -4.399 2.924) 5.759 8.172 ( 1.291 1.080 -3.705) 4.070 8.172 ( 1.291 1.080 3.705) 4.070 8.233 ( -3.938 -5.973 -6.821) 9.885 8.233 ( -3.938 -5.973 6.821) 9.885 8.466 ( 4.371 8.143 -3.804) 9.995 8.466 ( 4.371 8.143 3.804) 9.995 8.600 ( 9.993 -5.166 -4.877) 12.261 8.600 ( 9.993 -5.166 4.877) 12.261 8.722 ( -2.019 7.358 -3.993) 8.612 8.722 ( -2.019 7.358 3.993) 8.612 8.802 ( -4.552 -0.967 -2.187) 5.142 8.802 ( -4.552 -0.967 2.187) 5.142 8.987 ( 0.124 5.770 -2.733) 6.386 8.987 ( 0.124 5.770 2.733) 6.386 9.103 ( -7.942 -5.922 -2.680) 10.263 9.103 ( -7.942 -5.922 2.680) 10.263 9.342 ( -2.313 3.912 -3.991) 6.048 9.342 ( -2.313 3.912 3.991) 6.048 9.424 ( -4.896 -2.773 -2.242) 6.057 9.424 ( -4.896 -2.773 2.242) 6.057 9.639 ( 7.899 4.381 -2.800) 9.457 9.639 ( 7.899 4.381 2.800) 9.457 9.785 ( 2.465 -6.472 -3.527) 7.772 9.785 ( 2.465 -6.472 3.527) 7.772 9.857 ( 7.680 7.646 -2.999) 11.244 9.857 ( 7.680 7.646 2.999) 11.244 9.980 ( 9.808 -5.643 -4.588) 12.210 9.980 ( 9.808 -5.643 4.588) 12.210 10.133 ( -1.677 -3.078 -3.328) 4.833 10.133 ( -1.677 -3.078 3.328) 4.833 10.167 ( -1.025 -4.987 -5.346) 7.382 10.167 ( -1.025 -4.987 5.346) 7.382 10.379 ( -1.258 2.897 -4.320) 5.352 10.379 ( -1.258 2.897 4.320) 5.352 10.424 ( 0.075 0.883 -1.312) 1.583 10.424 ( 0.075 0.883 1.312) 1.583 10.716 ( -4.474 5.382 -1.476) 7.152 10.716 ( -4.474 5.382 1.476) 7.152 10.802 ( 0.872 0.309 -3.418) 3.542 10.802 ( 0.872 0.309 3.418) 3.542 11.001 ( 1.008 2.464 -6.211) 6.757 11.001 ( 1.008 2.464 6.211) 6.757 11.112 ( -2.859 -9.110 -3.035) 10.019 11.112 ( -2.859 -9.110 3.035) 10.019 11.322 ( -7.043 2.619 -3.739) 8.394 11.322 ( -7.043 2.619 3.739) 8.394 11.372 ( -1.830 -0.818 -3.416) 3.961 11.372 ( -1.830 -0.818 3.416) 3.961 11.558 ( -1.252 2.567 -5.071) 5.820 11.558 ( -1.252 2.567 5.071) 5.820 11.600 ( -2.588 -4.063 -2.309) 5.342 11.600 ( -2.588 -4.063 2.309) 5.342 11.845 ( -2.567 6.585 -4.287) 8.266 11.845 ( -2.567 6.585 4.287) 8.266 11.946 ( -1.790 -2.167 -4.427) 5.244 11.946 ( -1.790 -2.167 4.427) 5.244 12.177 ( -0.464 1.762 -3.773) 4.190 12.177 ( -0.464 1.762 3.773) 4.190 12.215 ( -2.881 -2.396 -2.256) 4.374 12.215 ( -2.881 -2.396 2.256) 4.374 12.425 ( -0.808 4.812 -2.494) 5.480 12.425 ( -0.808 4.812 2.494) 5.480 12.560 ( 5.484 -7.538 -0.613) 9.342 12.560 ( 5.484 -7.538 0.613) 9.342 12.704 ( 5.697 5.866 -6.333) 10.343 12.704 ( 5.697 5.866 6.333) 10.343 12.834 ( 6.223 -5.752 -5.607) 10.161 12.834 ( 6.223 -5.752 5.607) 10.161 13.001 ( -2.800 8.961 -4.355) 10.349 13.001 ( -2.800 8.961 4.355) 10.349 13.180 ( -3.050 -10.282 -5.970) 12.274 13.180 ( -3.050 -10.282 5.970) 12.274 13.552 ( -7.570 4.403 -2.809) 9.197 13.552 ( -7.570 4.403 2.809) 9.197 13.625 ( -4.252 0.045 -1.697) 4.579 13.625 ( -4.252 0.045 1.697) 4.579 13.668 ( 0.501 4.924 -1.650) 5.217 13.668 ( 0.501 4.924 1.650) 5.217 13.778 ( -4.589 -5.030 -3.113) 7.486 13.778 ( -4.589 -5.030 3.113) 7.486 14.281 ( 5.125 0.177 -1.660) 5.390 14.281 ( 5.125 0.177 1.660) 5.390 14.316 ( 5.959 -3.863 -2.416) 7.501 14.316 ( 5.959 -3.863 2.416) 7.501 14.606 ( 5.681 6.674 -2.512) 9.117 14.606 ( 5.681 6.674 2.512) 9.117 14.660 ( 9.990 3.113 -10.719) 14.980 14.660 ( 9.990 3.113 10.719) 14.980 14.746 ( 8.987 -2.970 -6.410) 11.431 14.746 ( 8.987 -2.970 6.410) 11.431 14.795 ( 3.544 -6.427 -0.793) 7.382 14.795 ( 3.544 -6.427 0.793) 7.382 15.205 ( 0.846 7.474 -2.897) 8.060 15.205 ( 0.846 7.474 2.897) 8.060 15.330 ( -0.266 -5.823 -2.387) 6.299 15.330 ( -0.266 -5.823 2.387) 6.299 15.605 ( 3.160 3.490 -1.299) 4.884 15.605 ( 3.160 3.490 1.299) 4.884 15.642 ( 10.592 0.806 -2.027) 10.814 15.642 ( 10.592 0.806 2.027) 10.814 15.682 ( 7.574 -0.365 -3.756) 8.463 15.682 ( 7.574 -0.365 3.756) 8.463 15.728 ( 6.434 -2.769 -2.306) 7.375 15.728 ( 6.434 -2.769 2.306) 7.375 15.973 ( -5.424 2.118 -3.660) 6.877 15.973 ( -5.424 2.118 3.660) 6.877 16.030 ( -5.085 -3.846 -5.813) 8.628 16.030 ( -5.085 -3.846 5.813) 8.628 16.307 ( -2.546 4.745 -0.947) 5.467 16.307 ( -2.546 4.745 0.947) 5.467 16.383 ( -4.642 -3.171 -0.915) 5.696 16.383 ( -4.642 -3.171 0.915) 5.696 16.818 ( -4.165 0.467 -8.370) 9.361 16.818 ( -4.165 0.467 8.370) 9.361 16.828 ( -4.468 -0.458 -7.943) 9.125 16.828 ( -4.468 -0.458 7.943) 9.125 18.450 ( 5.883 5.428 -3.502) 8.737 18.450 ( 5.883 5.428 3.502) 8.737 18.564 ( 3.058 -5.882 -3.826) 7.654 18.564 ( 3.058 -5.882 3.826) 7.654 19.597 ( 3.835 1.152 -0.821) 4.088 19.597 ( 3.835 1.152 0.821) 4.088 19.618 ( 2.912 -0.925 -0.853) 3.172 19.618 ( 2.912 -0.925 0.853) 3.172 20.483 ( -29.032 1.116 -2.094) 29.129 20.483 ( -29.032 1.116 2.094) 29.129 20.507 ( -29.266 -1.253 -2.208) 29.376 20.507 ( -29.266 -1.253 2.208) 29.376 20.960 ( -25.302 1.821 -2.854) 25.527 20.960 ( -25.302 1.821 2.854) 25.527 20.996 ( -25.722 -1.757 -2.781) 25.932 20.996 ( -25.722 -1.757 2.781) 25.932 25.705 ( 14.577 0.815 -6.891) 16.144 25.705 ( 14.577 0.815 6.891) 16.144 25.722 ( 14.352 -0.830 -7.374) 16.157 25.722 ( 14.352 -0.830 7.374) 16.157 26.358 ( 1.447 3.415 -1.735) 4.095 26.358 ( 1.447 3.415 1.735) 4.095 26.428 ( 0.616 -3.278 -2.029) 3.905 26.428 ( 0.616 -3.278 2.029) 3.905 26.574 ( -1.798 -0.423 -3.355) 3.830 26.574 ( -1.798 -0.423 3.355) 3.830 26.583 ( -0.072 -1.524 -3.565) 3.878 26.583 ( -0.072 -1.524 3.565) 3.878 27.055 ( -0.808 10.525 -1.625) 10.681 27.055 ( -0.808 10.525 1.625) 10.681 27.237 ( 6.563 -6.469 -2.991) 9.688 27.237 ( 6.563 -6.469 2.991) 9.688 27.436 ( 4.479 3.763 -3.351) 6.742 27.436 ( 4.479 3.763 3.351) 6.742 27.561 ( -4.124 -8.578 -3.608) 10.179 27.561 ( -4.124 -8.578 3.608) 10.179 28.239 ( 8.961 3.650 -5.544) 11.152 28.239 ( 8.961 3.650 5.544) 11.152 28.289 ( 10.619 -1.681 -6.734) 12.687 28.289 ( 10.619 -1.681 6.734) 12.687 28.678 ( -7.049 8.284 -3.113) 11.314 28.678 ( -7.049 8.284 3.113) 11.314 28.843 ( -14.847 -8.162 -1.683) 17.026 28.843 ( -14.847 -8.162 1.683) 17.026 29.613 ( -13.970 2.092 -2.978) 14.436 29.613 ( -13.970 2.092 2.978) 14.436 29.657 ( -13.685 -2.407 -2.747) 14.164 29.657 ( -13.685 -2.407 2.747) 14.164 30.321 ( 0.135 2.554 -1.864) 3.165 30.321 ( 0.135 2.554 1.864) 3.165 30.375 ( 0.380 -1.903 -3.769) 4.240 30.375 ( 0.380 -1.903 3.769) 4.240 30.715 ( -2.707 9.189 -4.915) 10.767 30.715 ( -2.707 9.189 4.915) 10.767 30.900 ( -1.213 -5.889 -3.617) 7.017 30.900 ( -1.213 -5.889 3.617) 7.017 31.040 ( 4.011 -1.777 -1.682) 4.698 31.040 ( 4.011 -1.777 1.682) 4.698 31.079 ( 8.726 -2.994 -7.726) 12.033 31.079 ( 8.726 -2.994 7.726) 12.033 32.122 ( -22.279 7.786 -12.122) 26.531 32.122 ( -22.279 7.786 12.122) 26.531 32.258 ( -21.955 -5.935 -15.682) 27.625 32.258 ( -21.955 -5.935 15.682) 27.625 ======================= Grid point 129 (47/48) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.035 ( 20.077 7.889 -10.147) 23.839 3.035 ( 20.077 7.889 10.147) 23.839 3.194 ( 17.145 -8.283 -12.327) 22.683 3.194 ( 17.145 -8.283 12.328) 22.683 3.786 ( -11.036 9.261 -10.136) 17.615 3.786 ( -11.036 9.261 10.136) 17.615 3.968 ( -18.096 -8.820 -6.345) 21.107 3.968 ( -18.096 -8.820 6.345) 21.107 4.384 ( 18.755 7.027 -4.106) 20.445 4.384 ( 18.755 7.027 4.106) 20.445 4.505 ( 17.625 -4.319 -5.531) 18.970 4.505 ( 17.625 -4.319 5.531) 18.970 4.851 ( 4.906 1.051 -4.836) 6.968 4.851 ( 4.906 1.051 4.836) 6.968 4.926 ( 1.380 -2.421 -3.250) 4.281 4.926 ( 1.380 -2.421 3.250) 4.281 5.106 ( 3.929 4.544 -2.789) 6.623 5.106 ( 3.929 4.544 2.789) 6.623 5.221 ( -0.044 -5.497 -4.562) 7.143 5.221 ( -0.044 -5.497 4.562) 7.143 5.399 ( 4.423 -1.881 -6.802) 8.329 5.399 ( 4.423 -1.881 6.802) 8.329 5.438 ( 3.330 -6.428 -1.763) 7.451 5.438 ( 3.330 -6.428 1.763) 7.451 5.723 ( -11.190 3.969 -5.653) 13.150 5.723 ( -11.190 3.969 5.653) 13.150 5.815 ( -8.319 -4.871 -9.819) 13.760 5.815 ( -8.319 -4.871 9.819) 13.760 6.217 ( 6.583 6.478 -5.806) 10.909 6.217 ( 6.583 6.478 5.806) 10.909 6.288 ( 3.525 -2.127 -6.817) 7.963 6.288 ( 3.525 -2.127 6.817) 7.963 6.451 ( 5.292 10.608 -4.804) 12.792 6.451 ( 5.292 10.608 4.804) 12.792 6.605 ( -0.400 -1.513 -3.426) 3.767 6.605 ( -0.400 -1.513 3.426) 3.767 6.751 ( 3.057 1.829 -2.267) 4.223 6.751 ( 3.058 1.829 2.267) 4.223 6.801 ( 2.703 -2.351 -6.654) 7.557 6.801 ( 2.703 -2.351 6.654) 7.557 6.879 ( 7.962 3.660 -5.021) 10.100 6.879 ( 7.962 3.660 5.021) 10.100 7.005 ( 1.911 -5.430 -2.425) 6.246 7.005 ( 1.911 -5.430 2.425) 6.246 7.264 ( -2.250 4.509 -2.545) 5.645 7.264 ( -2.250 4.509 2.545) 5.645 7.330 ( -4.002 2.405 -3.473) 5.819 7.330 ( -4.002 2.405 3.473) 5.819 7.429 ( -6.808 -1.715 -4.094) 8.127 7.429 ( -6.808 -1.715 4.094) 8.127 7.555 ( -6.955 -9.772 -2.459) 12.244 7.555 ( -6.955 -9.772 2.459) 12.244 7.794 ( 5.099 5.512 -5.904) 9.552 7.794 ( 5.099 5.512 5.904) 9.552 7.850 ( 2.644 -0.675 -2.377) 3.619 7.850 ( 2.644 -0.675 2.377) 3.619 7.987 ( 0.067 5.405 -6.999) 8.844 7.987 ( 0.067 5.405 6.999) 8.844 8.092 ( 5.717 -5.757 -1.863) 8.324 8.092 ( 5.717 -5.757 1.863) 8.324 8.264 ( 8.081 -0.800 -2.048) 8.375 8.264 ( 8.081 -0.800 2.048) 8.375 8.297 ( 9.796 -4.488 -1.488) 10.877 8.297 ( 9.796 -4.488 1.488) 10.877 8.566 ( 6.142 5.779 -2.416) 8.772 8.566 ( 6.142 5.779 2.416) 8.772 8.649 ( 0.271 2.208 -2.792) 3.570 8.649 ( 0.271 2.208 2.792) 3.570 8.748 ( 4.516 -1.756 -6.307) 7.953 8.748 ( 4.516 -1.756 6.307) 7.953 8.780 ( 0.521 -3.740 -4.840) 6.139 8.780 ( 0.521 -3.740 4.841) 6.139 8.998 ( 0.071 -0.172 -5.967) 5.970 8.998 ( 0.071 -0.172 5.967) 5.970 9.009 ( 2.951 -0.142 -8.212) 8.728 9.009 ( 2.951 -0.142 8.212) 8.728 9.340 ( -2.653 2.556 -3.226) 4.897 9.340 ( -2.653 2.556 3.226) 4.897 9.412 ( 1.719 -4.895 -3.681) 6.361 9.412 ( 1.719 -4.895 3.681) 6.361 9.676 ( -7.175 4.844 -5.613) 10.318 9.676 ( -7.175 4.844 5.613) 10.318 9.759 ( -0.613 -2.994 -4.005) 5.037 9.759 ( -0.613 -2.994 4.005) 5.037 10.070 ( 12.372 4.325 -2.933) 13.430 10.070 ( 12.372 4.325 2.933) 13.430 10.109 ( 1.135 2.586 -3.272) 4.322 10.109 ( 1.135 2.586 3.272) 4.322 10.223 ( 10.506 -3.003 -6.557) 12.744 10.223 ( 10.506 -3.003 6.557) 12.744 10.330 ( 13.167 -8.785 -2.443) 16.016 10.330 ( 13.167 -8.785 2.443) 16.016 10.437 ( 10.161 6.655 -8.425) 14.782 10.437 ( 10.161 6.655 8.425) 14.782 10.529 ( 6.336 -0.671 -9.803) 11.692 10.529 ( 6.336 -0.671 9.803) 11.692 10.655 ( 1.698 4.730 -4.505) 6.749 10.655 ( 1.697 4.730 4.505) 6.749 10.783 ( -5.398 -1.622 -4.907) 7.473 10.783 ( -5.398 -1.622 4.907) 7.473 10.951 ( -6.607 1.816 -4.155) 8.013 10.951 ( -6.607 1.816 4.155) 8.013 11.022 ( -6.259 -5.563 -3.847) 9.215 11.022 ( -6.259 -5.563 3.847) 9.215 11.165 ( -3.621 6.097 -3.563) 7.936 11.165 ( -3.621 6.097 3.563) 7.936 11.318 ( -2.226 -9.114 -6.916) 11.656 11.318 ( -2.226 -9.114 6.916) 11.656 11.493 ( -7.359 4.242 -2.570) 8.874 11.493 ( -7.359 4.242 2.570) 8.874 11.581 ( -1.620 -4.275 -1.691) 4.874 11.581 ( -1.620 -4.275 1.691) 4.874 11.785 ( -1.739 5.529 -5.127) 7.738 11.785 ( -1.739 5.529 5.127) 7.738 11.872 ( -4.826 -2.945 -4.941) 7.508 11.872 ( -4.826 -2.945 4.941) 7.508 12.076 ( -8.116 -0.151 -3.863) 8.990 12.076 ( -8.116 -0.151 3.863) 8.990 12.112 ( -7.574 -2.588 -3.506) 8.739 12.112 ( -7.574 -2.588 3.506) 8.739 12.422 ( 3.822 10.747 -2.530) 11.684 12.422 ( 3.822 10.747 2.530) 11.684 12.613 ( 1.102 -7.851 -1.360) 8.044 12.613 ( 1.102 -7.851 1.360) 8.044 12.764 ( -1.982 6.511 -3.552) 7.677 12.764 ( -1.982 6.511 3.552) 7.677 12.872 ( -4.046 -3.651 -3.686) 6.579 12.872 ( -4.046 -3.651 3.686) 6.579 13.067 ( 8.537 7.733 -3.258) 11.970 13.067 ( 8.537 7.733 3.258) 11.970 13.216 ( 6.032 -7.454 -5.027) 10.827 13.216 ( 6.032 -7.454 5.027) 10.827 13.420 ( -5.355 1.757 -4.048) 6.939 13.420 ( -5.355 1.757 4.048) 6.939 13.517 ( -6.169 -7.807 -1.920) 10.134 13.517 ( -6.169 -7.807 1.920) 10.134 13.720 ( 4.879 3.959 -0.995) 6.361 13.720 ( 4.879 3.959 0.995) 6.361 13.756 ( 2.574 0.779 -1.595) 3.127 13.756 ( 2.574 0.779 1.595) 3.127 14.335 ( 1.141 1.915 -1.089) 2.481 14.335 ( 1.141 1.915 1.089) 2.481 14.392 ( 1.104 -4.269 -2.823) 5.235 14.392 ( 1.104 -4.269 2.823) 5.235 14.695 ( 4.524 6.850 -2.258) 8.514 14.695 ( 4.524 6.850 2.258) 8.514 14.807 ( 1.149 -4.146 -5.083) 6.660 14.807 ( 1.149 -4.146 5.083) 6.660 14.867 ( 7.086 1.030 -4.408) 8.409 14.867 ( 7.086 1.030 4.408) 8.409 14.915 ( 5.704 -3.043 -2.061) 6.785 14.915 ( 5.704 -3.042 2.061) 6.785 15.227 ( 1.744 4.201 -1.465) 4.779 15.227 ( 1.744 4.201 1.465) 4.779 15.305 ( -1.717 -3.992 -1.863) 4.728 15.305 ( -1.717 -3.992 1.863) 4.728 15.592 ( -0.414 3.631 -2.481) 4.417 15.592 ( -0.414 3.631 2.481) 4.417 15.648 ( -2.389 -2.070 -2.789) 4.216 15.648 ( -2.389 -2.070 2.789) 4.216 15.767 ( -2.781 2.292 -1.459) 3.888 15.767 ( -2.781 2.292 1.459) 3.888 15.814 ( -2.932 -2.116 -2.925) 4.651 15.814 ( -2.932 -2.116 2.925) 4.651 15.933 ( 0.641 3.541 -1.896) 4.067 15.933 ( 0.641 3.541 1.896) 4.067 16.025 ( -1.407 -5.800 -3.659) 7.001 16.025 ( -1.407 -5.800 3.659) 7.001 16.317 ( 8.534 3.533 -8.500) 12.552 16.317 ( 8.534 3.533 8.500) 12.552 16.363 ( 5.870 -1.388 -8.055) 10.064 16.363 ( 5.870 -1.388 8.055) 10.063 16.727 ( -6.322 0.486 -11.462) 13.099 16.727 ( -6.322 0.486 11.462) 13.099 16.740 ( -5.992 -0.759 -10.564) 12.168 16.740 ( -5.992 -0.759 10.564) 12.168 18.713 ( 21.225 2.517 -3.716) 21.695 18.713 ( 21.225 2.517 3.716) 21.695 18.764 ( 18.132 -2.583 -6.144) 19.318 18.764 ( 18.132 -2.583 6.144) 19.318 19.730 ( 7.187 0.411 -0.917) 7.257 19.730 ( 7.187 0.411 0.917) 7.257 19.739 ( 9.092 -0.498 -1.325) 9.201 19.739 ( 9.092 -0.498 1.325) 9.201 19.880 ( -30.878 0.859 -3.897) 31.135 19.880 ( -30.878 0.859 3.897) 31.135 19.897 ( -30.790 -0.861 -2.910) 30.939 19.897 ( -30.790 -0.861 2.910) 30.939 20.464 ( -25.041 1.331 -2.935) 25.248 20.464 ( -25.041 1.331 2.935) 25.248 20.491 ( -25.545 -1.312 -3.393) 25.802 20.491 ( -25.545 -1.312 3.393) 25.802 25.950 ( 10.587 0.611 -6.093) 12.230 25.950 ( 10.587 0.611 6.093) 12.230 25.961 ( 10.223 -0.465 -6.093) 11.910 25.961 ( 10.223 -0.465 6.093) 11.910 26.339 ( -3.681 1.584 -1.856) 4.416 26.339 ( -3.681 1.584 1.856) 4.416 26.363 ( -5.540 -0.892 -1.744) 5.876 26.363 ( -5.540 -0.892 1.744) 5.876 26.585 ( 3.799 3.132 -1.600) 5.177 26.585 ( 3.799 3.132 1.600) 5.177 26.668 ( 5.690 -4.652 -1.444) 7.490 26.668 ( 5.690 -4.652 1.444) 7.490 26.980 ( -4.269 9.320 -2.166) 10.478 26.980 ( -4.269 9.320 2.166) 10.478 27.214 ( -9.102 -14.209 -3.177) 17.171 27.214 ( -9.102 -14.209 3.177) 17.171 27.556 ( 9.812 6.899 -1.266) 12.061 27.556 ( 9.812 6.899 1.266) 12.061 27.674 ( 13.033 -4.501 -1.923) 13.922 27.674 ( 13.033 -4.501 1.923) 13.922 28.127 ( -13.124 11.900 -1.971) 17.825 28.127 ( -13.124 11.900 1.971) 17.825 28.331 ( -12.088 -8.900 -4.951) 15.806 28.331 ( -12.088 -8.900 4.951) 15.806 28.758 ( 11.094 1.568 -0.520) 11.216 28.758 ( 11.094 1.568 0.520) 11.216 28.790 ( 12.637 -1.661 -0.506) 12.755 28.790 ( 12.637 -1.661 0.506) 12.755 29.333 ( -14.948 1.899 -1.925) 15.191 29.333 ( -14.948 1.899 1.925) 15.191 29.375 ( -15.274 -2.384 -1.986) 15.586 29.375 ( -15.274 -2.384 1.986) 15.586 30.334 ( 1.131 3.863 -1.579) 4.324 30.334 ( 1.131 3.863 1.579) 4.324 30.378 ( -0.365 1.247 -2.666) 2.966 30.378 ( -0.365 1.247 2.666) 2.966 30.687 ( 0.196 1.668 -1.802) 2.463 30.687 ( 0.196 1.668 1.802) 2.463 30.818 ( -5.311 -9.683 -4.396) 11.887 30.818 ( -5.311 -9.683 4.396) 11.887 31.188 ( 10.323 5.677 -7.022) 13.715 31.188 ( 10.323 5.677 7.022) 13.715 31.288 ( 12.240 -4.272 -9.112) 15.846 31.288 ( 12.240 -4.272 9.112) 15.846 31.731 ( -18.074 8.238 -11.415) 22.910 31.731 ( -18.074 8.238 11.415) 22.910 31.870 ( -18.253 -5.876 -14.609) 24.106 31.870 ( -18.253 -5.876 14.609) 24.106 ======================= Grid point 131 (48/48) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.425 ( -15.325 4.573 -5.150) 16.801 3.425 ( -3.415 4.573 -1.314) 5.857 3.425 ( 3.415 4.573 1.314) 5.857 3.425 ( 15.325 4.573 5.150) 16.801 3.588 ( -14.509 -4.766 -5.379) 16.191 3.588 ( -0.947 -4.766 -2.375) 5.409 3.588 ( 0.947 -4.766 2.375) 5.409 3.588 ( 14.509 -4.766 5.379) 16.192 4.708 ( -8.585 8.287 -2.072) 12.111 4.708 ( -5.970 8.287 0.250) 10.217 4.708 ( 5.970 8.287 -0.250) 10.217 4.708 ( 8.585 8.287 2.072) 12.111 4.879 ( -6.926 -7.220 -1.335) 10.094 4.879 ( -5.702 -7.220 0.256) 9.204 4.879 ( 5.702 -7.220 -0.256) 9.204 4.879 ( 6.926 -7.220 1.335) 10.094 5.209 ( -6.124 3.330 -7.941) 10.567 5.209 ( 1.580 3.330 -7.692) 8.530 5.209 ( -1.580 3.330 7.692) 8.530 5.209 ( 6.124 3.330 7.941) 10.567 5.381 ( -4.235 -5.707 -8.160) 10.820 5.381 ( 0.921 -5.707 -8.042) 9.904 5.381 ( -0.921 -5.707 8.042) 9.904 5.381 ( 4.235 -5.707 8.160) 10.820 5.700 ( -4.340 -2.003 -4.148) 6.329 5.700 ( 4.331 -2.003 -4.147) 6.322 5.700 ( -4.331 -2.003 4.147) 6.322 5.700 ( 4.340 -2.003 4.148) 6.329 6.292 ( -3.708 -2.614 -3.087) 5.488 6.292 ( 3.479 -2.614 -3.057) 5.318 6.292 ( -3.479 -2.614 3.057) 5.318 6.292 ( 3.708 -2.614 3.087) 5.488 6.562 ( -4.537 12.588 -7.933) 15.556 6.562 ( 4.412 12.588 -7.925) 15.516 6.562 ( -4.412 12.588 7.925) 15.516 6.562 ( 4.537 12.588 7.933) 15.556 6.784 ( -2.493 -6.937 -4.749) 8.769 6.784 ( 1.710 -6.937 -4.711) 8.558 6.784 ( -1.710 -6.937 4.711) 8.558 6.784 ( 2.494 -6.937 4.749) 8.769 7.039 ( -4.255 0.490 -1.686) 4.603 7.039 ( 3.598 0.490 -1.507) 3.931 7.039 ( -3.598 0.490 1.507) 3.931 7.039 ( 4.255 0.490 1.686) 4.603 7.206 ( -2.050 7.543 -2.358) 8.165 7.206 ( 1.600 7.543 -2.319) 8.053 7.206 ( -1.600 7.543 2.319) 8.053 7.206 ( 2.051 7.543 2.358) 8.165 7.429 ( -2.809 -8.976 -5.365) 10.828 7.429 ( 0.803 -8.976 -5.290) 10.450 7.429 ( -0.803 -8.976 5.290) 10.450 7.429 ( 2.809 -8.976 5.365) 10.828 7.827 ( -2.283 1.837 -4.507) 5.376 7.827 ( 1.832 1.837 -4.484) 5.181 7.827 ( -1.832 1.838 4.484) 5.181 7.827 ( 2.283 1.837 4.507) 5.376 8.084 ( -6.153 4.519 -4.441) 8.832 8.084 ( 5.725 4.519 -4.377) 8.506 8.084 ( -5.725 4.519 4.377) 8.506 8.084 ( 6.153 4.519 4.441) 8.832 8.329 ( -1.681 -4.832 -2.496) 5.693 8.329 ( 0.627 -4.832 -2.441) 5.450 8.329 ( -0.627 -4.832 2.441) 5.450 8.329 ( 1.681 -4.832 2.496) 5.693 8.692 ( -4.600 4.061 -1.729) 6.375 8.692 ( -2.691 4.061 -1.202) 5.018 8.692 ( 2.691 4.061 1.202) 5.018 8.692 ( 4.600 4.061 1.729) 6.375 8.809 ( -6.065 -5.686 -1.982) 8.546 8.809 ( -1.769 -5.686 -0.437) 5.970 8.809 ( 1.769 -5.686 0.437) 5.970 8.809 ( 6.065 -5.686 1.982) 8.546 9.099 ( -10.875 4.129 -4.570) 12.498 9.099 ( 2.014 4.129 -2.862) 5.413 9.099 ( -2.014 4.129 2.862) 5.413 9.099 ( 10.875 4.129 4.570) 12.498 9.272 ( -10.813 -3.752 -7.809) 13.856 9.272 ( 10.311 -3.752 -7.733) 13.424 9.272 ( -10.311 -3.752 7.733) 13.424 9.272 ( 10.814 -3.752 7.809) 13.856 9.708 ( -5.742 -2.067 -2.910) 6.761 9.708 ( -0.507 -2.067 -2.198) 3.060 9.708 ( 0.507 -2.067 2.198) 3.060 9.708 ( 5.742 -2.067 2.910) 6.761 10.144 ( -4.087 -0.211 -0.976) 4.207 10.144 ( -2.857 -0.211 -0.059) 2.865 10.144 ( 2.857 -0.211 0.059) 2.865 10.144 ( 4.087 -0.211 0.976) 4.207 10.409 ( -10.236 12.434 -5.660) 17.071 10.409 ( 9.513 12.434 -5.518) 16.600 10.409 ( -9.513 12.434 5.518) 16.600 10.409 ( 10.236 12.434 5.660) 17.071 10.598 ( -8.882 -5.564 -3.364) 11.008 10.598 ( -1.275 -5.564 -1.653) 5.943 10.598 ( 1.275 -5.564 1.653) 5.943 10.598 ( 8.882 -5.564 3.364) 11.008 10.755 ( -5.532 0.638 -1.821) 5.859 10.755 ( -2.700 0.638 -0.851) 2.902 10.755 ( 2.700 0.638 0.851) 2.902 10.755 ( 5.532 0.638 1.821) 5.859 10.841 ( -5.039 -3.294 -1.356) 6.171 10.841 ( -3.107 -3.294 -0.301) 4.538 10.841 ( 3.107 -3.294 0.301) 4.538 10.841 ( 5.039 -3.294 1.356) 6.171 11.254 ( -7.206 0.853 -4.326) 8.448 11.254 ( 6.344 0.853 -4.173) 7.642 11.254 ( -6.344 0.853 4.173) 7.642 11.254 ( 7.206 0.853 4.326) 8.448 11.442 ( -9.415 -5.929 -2.838) 11.483 11.442 ( -7.230 -5.929 2.003) 9.562 11.442 ( 7.230 -5.929 -2.003) 9.562 11.442 ( 9.416 -5.929 2.838) 11.483 11.808 ( -2.867 3.413 -2.091) 4.923 11.808 ( 2.796 3.413 -2.081) 4.877 11.808 ( -2.796 3.413 2.081) 4.877 11.808 ( 2.867 3.413 2.091) 4.923 11.997 ( -1.495 -0.646 -1.068) 1.948 11.997 ( -0.013 -0.646 -0.944) 1.144 11.997 ( 0.013 -0.646 0.944) 1.144 11.997 ( 1.496 -0.646 1.068) 1.948 12.546 ( -7.304 6.927 -3.988) 10.828 12.546 ( 7.304 6.927 -3.988) 10.828 12.546 ( -7.304 6.927 3.988) 10.828 12.546 ( 7.304 6.927 3.988) 10.828 12.774 ( -4.095 -4.008 -1.329) 5.882 12.774 ( -1.262 -4.008 -0.284) 4.211 12.774 ( 1.262 -4.008 0.285) 4.211 12.774 ( 4.095 -4.008 1.329) 5.882 13.226 ( -6.082 3.096 -1.602) 7.010 13.226 ( -3.971 3.096 0.456) 5.056 13.226 ( 3.971 3.096 -0.456) 5.056 13.226 ( 6.082 3.096 1.602) 7.010 13.407 ( -4.122 -6.464 -1.486) 7.809 13.407 ( -1.355 -6.464 -0.723) 6.644 13.407 ( 1.355 -6.464 0.723) 6.644 13.407 ( 4.122 -6.464 1.486) 7.809 13.799 ( -0.923 2.616 -1.270) 3.051 13.799 ( 0.543 2.616 -1.246) 2.948 13.799 ( -0.542 2.616 1.246) 2.948 13.799 ( 0.923 2.616 1.270) 3.051 14.365 ( -2.534 -1.362 -1.859) 3.425 14.365 ( 2.483 -1.362 -1.851) 3.383 14.365 ( -2.483 -1.362 1.851) 3.383 14.365 ( 2.534 -1.362 1.859) 3.425 14.778 ( -3.048 2.584 -4.160) 5.769 14.778 ( 2.224 2.584 -4.102) 5.334 14.778 ( -2.224 2.584 4.102) 5.334 14.778 ( 3.048 2.584 4.160) 5.769 14.952 ( -1.082 -1.888 -2.003) 2.958 14.952 ( 0.572 -1.888 -1.980) 2.795 14.952 ( -0.572 -1.888 1.980) 2.795 14.952 ( 1.082 -1.888 2.003) 2.958 15.269 ( -2.176 -0.656 -0.221) 2.283 15.269 ( -2.115 -0.656 0.139) 2.218 15.269 ( 2.115 -0.656 -0.139) 2.218 15.269 ( 2.176 -0.656 0.221) 2.283 15.599 ( -1.297 0.710 -0.910) 1.736 15.599 ( 0.542 0.710 -0.821) 1.213 15.599 ( -0.542 0.710 0.821) 1.213 15.599 ( 1.297 0.710 0.910) 1.736 15.768 ( -3.015 2.024 -1.590) 3.964 15.768 ( 2.559 2.024 -1.499) 3.591 15.768 ( -2.559 2.024 1.499) 3.591 15.768 ( 3.015 2.024 1.590) 3.964 15.933 ( -3.877 -2.172 -2.769) 5.236 15.933 ( 3.871 -2.172 -2.768) 5.230 15.933 ( -3.870 -2.172 2.768) 5.230 15.933 ( 3.877 -2.172 2.769) 5.236 16.535 ( -4.142 1.780 -8.362) 9.500 16.535 ( 4.140 1.780 -8.362) 9.499 16.535 ( -4.140 1.780 8.362) 9.499 16.535 ( 4.142 1.780 8.362) 9.500 16.582 ( -3.868 -1.473 -9.736) 10.579 16.582 ( 3.868 -1.473 -9.736) 10.579 16.582 ( -3.868 -1.473 9.736) 10.579 16.582 ( 3.868 -1.473 9.736) 10.579 19.219 ( -7.277 0.116 -0.796) 7.321 19.219 ( -7.272 0.116 0.790) 7.315 19.219 ( 7.272 0.116 -0.790) 7.315 19.219 ( 7.277 0.116 0.796) 7.321 19.259 ( -6.340 -0.109 -1.874) 6.612 19.259 ( -5.792 -0.109 1.665) 6.028 19.259 ( 5.792 -0.109 -1.665) 6.028 19.259 ( 6.340 -0.109 1.874) 6.612 20.032 ( -18.876 0.767 -2.497) 19.056 20.032 ( -18.872 0.767 2.494) 19.051 20.032 ( 18.872 0.767 -2.494) 19.051 20.032 ( 18.876 0.767 2.497) 19.056 20.048 ( -19.507 -0.817 -3.047) 19.761 20.048 ( -19.501 -0.817 3.042) 19.753 20.048 ( 19.501 -0.817 -3.042) 19.753 20.048 ( 19.507 -0.817 3.047) 19.761 26.079 ( -0.407 0.240 -0.327) 0.575 26.079 ( 0.406 0.240 -0.327) 0.574 26.079 ( -0.406 0.240 0.327) 0.574 26.079 ( 0.407 0.240 0.327) 0.575 26.279 ( -0.420 -0.154 -0.295) 0.536 26.279 ( -0.088 -0.154 -0.262) 0.316 26.279 ( 0.088 -0.154 0.262) 0.316 26.279 ( 0.420 -0.154 0.295) 0.536 26.682 ( -4.511 4.028 -1.421) 6.212 26.682 ( -1.759 4.028 0.318) 4.407 26.682 ( 1.759 4.028 -0.318) 4.407 26.682 ( 4.511 4.028 1.421) 6.212 27.018 ( -8.592 -7.249 -1.796) 11.384 27.018 ( -8.293 -7.249 1.632) 11.134 27.018 ( 8.293 -7.249 -1.632) 11.134 27.018 ( 8.592 -7.249 1.796) 11.384 27.779 ( -10.036 8.430 -0.757) 13.128 27.779 ( -10.013 8.430 0.723) 13.109 27.779 ( 10.013 8.430 -0.723) 13.109 27.779 ( 10.036 8.430 0.757) 13.128 28.044 ( -12.627 -5.471 -2.422) 13.973 28.044 ( -12.491 -5.471 2.343) 13.837 28.044 ( 12.491 -5.471 -2.343) 13.837 28.044 ( 12.627 -5.471 2.422) 13.973 29.022 ( -8.717 1.770 -0.470) 8.907 29.022 ( -8.715 1.770 0.467) 8.906 29.022 ( 8.715 1.770 -0.467) 8.906 29.022 ( 8.717 1.770 0.470) 8.907 29.089 ( -8.772 -1.925 -0.396) 8.989 29.089 ( -8.771 -1.925 0.394) 8.989 29.089 ( 8.771 -1.925 -0.394) 8.989 29.089 ( 8.772 -1.925 0.396) 8.989 30.360 ( -1.033 3.947 -2.519) 4.795 30.360 ( 0.746 3.947 -2.507) 4.735 30.360 ( -0.746 3.947 2.507) 4.735 30.360 ( 1.033 3.947 2.519) 4.795 30.727 ( -3.214 -5.940 -2.676) 7.264 30.727 ( 1.339 -5.940 -2.493) 6.579 30.727 ( -1.339 -5.940 2.493) 6.579 30.727 ( 3.214 -5.940 2.676) 7.264 31.421 ( -13.460 7.673 -9.469) 18.158 31.421 ( 12.837 7.673 -9.372) 17.650 31.421 ( -12.837 7.673 9.372) 17.650 31.421 ( 13.460 7.673 9.469) 18.158 31.552 ( -14.520 -5.310 -11.943) 19.536 31.552 ( 14.375 -5.310 -11.924) 19.417 31.552 ( -14.375 -5.310 11.924) 19.417 31.552 ( 14.520 -5.310 11.943) 19.536 =================== 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 3/43200 10.0 1188.757 1714.979 589.945 0.000 0.000 -0.000 3/43200 20.0 332.749 460.018 501.567 0.000 0.000 -0.000 3/43200 30.0 120.717 163.142 199.821 0.000 0.000 -0.000 3/43200 40.0 67.596 83.345 104.179 0.000 0.000 -0.000 3/43200 50.0 45.267 51.106 64.073 0.000 0.000 -0.000 3/43200 60.0 33.288 34.993 43.722 0.000 0.000 0.000 3/43200 70.0 25.907 25.781 32.037 0.000 0.000 0.000 3/43200 80.0 20.970 20.013 24.725 0.000 0.000 0.000 3/43200 90.0 17.485 16.154 19.849 0.000 0.000 0.000 3/43200 100.0 14.927 13.441 16.432 0.000 0.000 0.000 3/43200 110.0 12.991 11.456 13.941 0.000 0.000 0.000 3/43200 120.0 11.488 9.955 12.064 0.000 0.000 0.000 3/43200 130.0 10.295 8.788 10.611 0.000 0.000 0.000 3/43200 140.0 9.332 7.861 9.460 0.000 0.000 0.000 3/43200 150.0 8.542 7.109 8.530 0.000 0.000 0.000 3/43200 160.0 7.884 6.488 7.764 0.000 0.000 0.000 3/43200 170.0 7.329 5.969 7.125 0.000 0.000 0.000 3/43200 180.0 6.856 5.528 6.585 0.000 0.000 0.000 3/43200 190.0 6.449 5.150 6.123 0.000 0.000 0.000 3/43200 200.0 6.095 4.821 5.723 0.000 0.000 0.000 3/43200 210.0 5.784 4.534 5.373 0.000 0.000 0.000 3/43200 220.0 5.510 4.281 5.066 0.000 0.000 0.000 3/43200 230.0 5.266 4.056 4.794 0.000 0.000 0.000 3/43200 240.0 5.047 3.855 4.551 0.000 0.000 0.000 3/43200 250.0 4.850 3.674 4.333 0.000 0.000 0.000 3/43200 260.0 4.671 3.511 4.136 0.000 0.000 0.000 3/43200 270.0 4.508 3.362 3.957 0.000 0.000 0.000 3/43200 280.0 4.359 3.226 3.794 0.000 0.000 0.000 3/43200 290.0 4.222 3.102 3.645 0.000 0.000 0.000 3/43200 300.0 4.095 2.987 3.508 0.000 0.000 0.000 3/43200 310.0 3.977 2.881 3.381 0.000 0.000 0.000 3/43200 320.0 3.867 2.783 3.264 0.000 0.000 0.000 3/43200 330.0 3.764 2.692 3.155 0.000 0.000 0.000 3/43200 340.0 3.668 2.607 3.054 0.000 0.000 0.000 3/43200 350.0 3.577 2.528 2.960 0.000 0.000 0.000 3/43200 360.0 3.492 2.454 2.871 0.000 0.000 0.000 3/43200 370.0 3.411 2.384 2.788 0.000 0.000 0.000 3/43200 380.0 3.334 2.318 2.710 0.000 0.000 0.000 3/43200 390.0 3.262 2.256 2.637 0.000 0.000 0.000 3/43200 400.0 3.192 2.198 2.568 0.000 0.000 0.000 3/43200 410.0 3.127 2.143 2.502 0.000 0.000 0.000 3/43200 420.0 3.064 2.090 2.440 0.000 0.000 0.000 3/43200 430.0 3.003 2.040 2.381 0.000 0.000 0.000 3/43200 440.0 2.946 1.993 2.325 0.000 0.000 0.000 3/43200 450.0 2.890 1.948 2.272 0.000 0.000 0.000 3/43200 460.0 2.837 1.905 2.221 0.000 0.000 0.000 3/43200 470.0 2.786 1.864 2.172 0.000 0.000 0.000 3/43200 480.0 2.737 1.825 2.126 0.000 0.000 0.000 3/43200 490.0 2.690 1.787 2.082 0.000 0.000 0.000 3/43200 500.0 2.644 1.751 2.039 0.000 0.000 0.000 3/43200 510.0 2.600 1.717 1.999 0.000 0.000 0.000 3/43200 520.0 2.557 1.684 1.960 0.000 0.000 0.000 3/43200 530.0 2.516 1.652 1.922 0.000 0.000 0.000 3/43200 540.0 2.476 1.621 1.886 0.000 0.000 0.000 3/43200 550.0 2.437 1.592 1.852 0.000 0.000 0.000 3/43200 560.0 2.400 1.563 1.818 0.000 0.000 0.000 3/43200 570.0 2.364 1.536 1.786 0.000 0.000 0.000 3/43200 580.0 2.329 1.510 1.755 0.000 0.000 0.000 3/43200 590.0 2.294 1.484 1.725 0.000 0.000 0.000 3/43200 600.0 2.261 1.460 1.696 0.000 0.000 0.000 3/43200 610.0 2.229 1.436 1.669 0.000 0.000 0.000 3/43200 620.0 2.198 1.413 1.642 0.000 0.000 0.000 3/43200 630.0 2.167 1.391 1.616 0.000 0.000 0.000 3/43200 640.0 2.138 1.369 1.590 0.000 0.000 0.000 3/43200 650.0 2.109 1.348 1.566 0.000 0.000 0.000 3/43200 660.0 2.081 1.328 1.542 0.000 0.000 0.000 3/43200 670.0 2.053 1.308 1.519 0.000 0.000 0.000 3/43200 680.0 2.027 1.289 1.497 0.000 0.000 0.000 3/43200 690.0 2.001 1.271 1.475 0.000 0.000 0.000 3/43200 700.0 1.975 1.253 1.454 0.000 0.000 0.000 3/43200 710.0 1.951 1.235 1.434 0.000 0.000 0.000 3/43200 720.0 1.927 1.218 1.414 0.000 0.000 0.000 3/43200 730.0 1.903 1.202 1.395 0.000 0.000 0.000 3/43200 740.0 1.880 1.186 1.376 0.000 0.000 0.000 3/43200 750.0 1.858 1.170 1.358 0.000 0.000 0.000 3/43200 760.0 1.836 1.155 1.340 0.000 0.000 0.000 3/43200 770.0 1.814 1.140 1.322 0.000 0.000 0.000 3/43200 780.0 1.793 1.126 1.306 0.000 0.000 0.000 3/43200 790.0 1.773 1.112 1.289 0.000 0.000 0.000 3/43200 800.0 1.753 1.098 1.273 0.000 0.000 0.000 3/43200 810.0 1.733 1.084 1.257 0.000 0.000 0.000 3/43200 820.0 1.714 1.071 1.242 0.000 0.000 0.000 3/43200 830.0 1.695 1.059 1.227 0.000 0.000 0.000 3/43200 840.0 1.677 1.046 1.213 0.000 0.000 0.000 3/43200 850.0 1.659 1.034 1.199 0.000 0.000 0.000 3/43200 860.0 1.641 1.022 1.185 0.000 0.000 0.000 3/43200 870.0 1.624 1.011 1.171 0.000 0.000 0.000 3/43200 880.0 1.607 0.999 1.158 0.000 0.000 0.000 3/43200 890.0 1.591 0.988 1.145 0.000 0.000 0.000 3/43200 900.0 1.574 0.977 1.132 0.000 0.000 0.000 3/43200 910.0 1.558 0.967 1.120 0.000 0.000 0.000 3/43200 920.0 1.543 0.956 1.108 0.000 0.000 0.000 3/43200 930.0 1.528 0.946 1.096 0.000 0.000 0.000 3/43200 940.0 1.513 0.936 1.085 0.000 0.000 0.000 3/43200 950.0 1.498 0.926 1.073 0.000 0.000 0.000 3/43200 960.0 1.483 0.917 1.062 0.000 0.000 0.000 3/43200 970.0 1.469 0.908 1.051 0.000 0.000 0.000 3/43200 980.0 1.455 0.898 1.041 0.000 0.000 0.000 3/43200 990.0 1.442 0.889 1.030 0.000 0.000 0.000 3/43200 1000.0 1.428 0.881 1.020 0.000 0.000 0.000 3/43200 Thermal conductivity related properties were written into "kappa-m1036.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:58:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|