----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:14:18]------------------------- 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: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.287560750000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.493471599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.949211220000002 Atomic positions (fractional): *1 Ba 0.98397562302969 0.13938667399864 0.61130777844402 137.327 2 Ba 0.51602437697031 0.63938667399864 0.61130777844402 137.327 3 Ba 0.01602437697031 0.63938667399864 0.88869222155598 137.327 4 Ba 0.51602437697031 0.86061332600136 0.11130777844402 137.327 5 Ba 0.98397562302969 0.36061332600136 0.11130777844402 137.327 6 Ba 0.48397562302969 0.36061332600136 0.38869222155598 137.327 7 Ba 0.48397562302969 0.13938667399864 0.88869222155598 137.327 8 Ba 0.01602437697031 0.86061332600136 0.38869222155598 137.327 *9 Nb 0.71079598186897 0.89382121767150 0.74351945337805 92.906 10 Nb 0.71079598186897 0.60617878232850 0.24351945337805 92.906 11 Nb 0.28920401813103 0.10617878232850 0.25648054662195 92.906 12 Nb 0.78920401813103 0.10617878232850 0.24351945337805 92.906 13 Nb 0.78920401813103 0.39382121767150 0.74351945337805 92.906 14 Nb 0.21079598186897 0.89382121767150 0.75648054662195 92.906 15 Nb 0.28920401813103 0.39382121767150 0.75648054662195 92.906 16 Nb 0.21079598186897 0.60617878232850 0.25648054662195 92.906 *17 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 18 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 19 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 20 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 *21 O 0.77808563914038 0.24556514888127 0.29510310928896 15.999 *22 O 0.94686661186041 0.58406655014684 0.16498629102684 15.999 *23 O 0.23335730582877 0.48678723773913 0.59529154277750 15.999 24 O 0.27808563914038 0.25443485111873 0.70489689071104 15.999 25 O 0.73335730582877 0.01321276226087 0.40470845722250 15.999 26 O 0.72191436085962 0.74556514888127 0.29510310928896 15.999 *27 O 0.87695106954380 0.94531321047861 0.15476373731191 15.999 28 O 0.55313338813959 0.08406655014684 0.16498629102684 15.999 29 O 0.62304893045620 0.05468678952139 0.65476373731191 15.999 30 O 0.77808563914038 0.25443485111873 0.79510310928896 15.999 31 O 0.37695106954380 0.94531321047861 0.34523626268809 15.999 32 O 0.62304893045620 0.44531321047861 0.15476373731191 15.999 33 O 0.23335730582877 0.01321276226087 0.09529154277750 15.999 34 O 0.76664269417123 0.98678723773913 0.90470845722250 15.999 35 O 0.27808563914038 0.24556514888127 0.20489689071104 15.999 *36 O 0.92338262527069 0.35994144287893 0.56919508852395 15.999 37 O 0.87695106954380 0.55468678952139 0.65476373731191 15.999 38 O 0.57661737472931 0.85994144287893 0.56919508852395 15.999 39 O 0.92338262527069 0.14005855712107 0.06919508852395 15.999 40 O 0.12304893045620 0.44531321047861 0.34523626268809 15.999 41 O 0.57661737472931 0.64005855712107 0.06919508852395 15.999 42 O 0.22191436085962 0.74556514888127 0.20489689071104 15.999 43 O 0.12304893045620 0.05468678952139 0.84523626268809 15.999 44 O 0.94686661186041 0.91593344985316 0.66498629102684 15.999 45 O 0.22191436085962 0.75443485111873 0.70489689071104 15.999 46 O 0.42338262527069 0.14005855712107 0.43080491147605 15.999 47 O 0.26664269417123 0.98678723773913 0.59529154277750 15.999 48 O 0.73335730582877 0.48678723773913 0.90470845722250 15.999 49 O 0.26664269417123 0.51321276226087 0.09529154277750 15.999 50 O 0.07661737472931 0.64005855712107 0.43080491147605 15.999 51 O 0.05313338813959 0.08406655014684 0.33501370897316 15.999 52 O 0.05313338813959 0.41593344985316 0.83501370897316 15.999 53 O 0.42338262527069 0.35994144287893 0.93080491147605 15.999 54 O 0.44686661186041 0.91593344985316 0.83501370897316 15.999 55 O 0.55313338813959 0.41593344985316 0.66498629102684 15.999 56 O 0.44686661186041 0.58406655014684 0.33501370897316 15.999 57 O 0.37695106954380 0.55468678952139 0.84523626268809 15.999 58 O 0.72191436085962 0.75443485111873 0.79510310928896 15.999 59 O 0.07661737472931 0.85994144287893 0.93080491147605 15.999 60 O 0.76664269417123 0.51321276226087 0.40470845722250 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.287560750000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.493471599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.949211220000002 Atomic positions (fractional): *1 Ba 0.98397562302969 0.13938667399864 0.61130777844402 137.327 > 1 2 Ba 0.51602437697031 0.63938667399864 0.61130777844402 137.327 > 2 3 Ba 0.01602437697031 0.63938667399864 0.88869222155598 137.327 > 3 4 Ba 0.51602437697031 0.86061332600136 0.11130777844402 137.327 > 4 5 Ba 0.98397562302969 0.36061332600136 0.11130777844402 137.327 > 5 6 Ba 0.48397562302969 0.36061332600136 0.38869222155598 137.327 > 6 7 Ba 0.48397562302969 0.13938667399864 0.88869222155598 137.327 > 7 8 Ba 0.01602437697031 0.86061332600136 0.38869222155598 137.327 > 8 *9 Nb 0.71079598186897 0.89382121767150 0.74351945337805 92.906 > 9 10 Nb 0.71079598186897 0.60617878232850 0.24351945337805 92.906 > 10 11 Nb 0.28920401813103 0.10617878232850 0.25648054662195 92.906 > 11 12 Nb 0.78920401813103 0.10617878232850 0.24351945337805 92.906 > 12 13 Nb 0.78920401813103 0.39382121767150 0.74351945337805 92.906 > 13 14 Nb 0.21079598186897 0.89382121767150 0.75648054662195 92.906 > 14 15 Nb 0.28920401813103 0.39382121767150 0.75648054662195 92.906 > 15 16 Nb 0.21079598186897 0.60617878232850 0.25648054662195 92.906 > 16 *17 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 > 17 18 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 18 19 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 > 19 20 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 > 20 *21 O 0.77808563914038 0.24556514888127 0.29510310928896 15.999 > 21 *22 O 0.94686661186041 0.58406655014684 0.16498629102684 15.999 > 22 *23 O 0.23335730582877 0.48678723773913 0.59529154277750 15.999 > 23 24 O 0.27808563914038 0.25443485111873 0.70489689071104 15.999 > 24 25 O 0.73335730582877 0.01321276226087 0.40470845722250 15.999 > 25 26 O 0.72191436085962 0.74556514888127 0.29510310928896 15.999 > 26 *27 O 0.87695106954380 0.94531321047861 0.15476373731191 15.999 > 27 28 O 0.55313338813959 0.08406655014684 0.16498629102684 15.999 > 28 29 O 0.62304893045620 0.05468678952139 0.65476373731191 15.999 > 29 30 O 0.77808563914038 0.25443485111873 0.79510310928896 15.999 > 30 31 O 0.37695106954380 0.94531321047861 0.34523626268809 15.999 > 31 32 O 0.62304893045620 0.44531321047861 0.15476373731191 15.999 > 32 33 O 0.23335730582877 0.01321276226087 0.09529154277750 15.999 > 33 34 O 0.76664269417123 0.98678723773913 0.90470845722250 15.999 > 34 35 O 0.27808563914038 0.24556514888127 0.20489689071104 15.999 > 35 *36 O 0.92338262527069 0.35994144287893 0.56919508852395 15.999 > 36 37 O 0.87695106954380 0.55468678952139 0.65476373731191 15.999 > 37 38 O 0.57661737472931 0.85994144287893 0.56919508852395 15.999 > 38 39 O 0.92338262527069 0.14005855712107 0.06919508852395 15.999 > 39 40 O 0.12304893045620 0.44531321047861 0.34523626268809 15.999 > 40 41 O 0.57661737472931 0.64005855712107 0.06919508852395 15.999 > 41 42 O 0.22191436085962 0.74556514888127 0.20489689071104 15.999 > 42 43 O 0.12304893045620 0.05468678952139 0.84523626268809 15.999 > 43 44 O 0.94686661186041 0.91593344985316 0.66498629102684 15.999 > 44 45 O 0.22191436085962 0.75443485111873 0.70489689071104 15.999 > 45 46 O 0.42338262527069 0.14005855712107 0.43080491147605 15.999 > 46 47 O 0.26664269417123 0.98678723773913 0.59529154277750 15.999 > 47 48 O 0.73335730582877 0.48678723773913 0.90470845722250 15.999 > 48 49 O 0.26664269417123 0.51321276226087 0.09529154277750 15.999 > 49 50 O 0.07661737472931 0.64005855712107 0.43080491147605 15.999 > 50 51 O 0.05313338813959 0.08406655014684 0.33501370897316 15.999 > 51 52 O 0.05313338813959 0.41593344985316 0.83501370897316 15.999 > 52 53 O 0.42338262527069 0.35994144287893 0.93080491147605 15.999 > 53 54 O 0.44686661186041 0.91593344985316 0.83501370897316 15.999 > 54 55 O 0.55313338813959 0.41593344985316 0.66498629102684 15.999 > 55 56 O 0.44686661186041 0.58406655014684 0.33501370897316 15.999 > 56 57 O 0.37695106954380 0.55468678952139 0.84523626268809 15.999 > 57 58 O 0.72191436085962 0.75443485111873 0.79510310928896 15.999 > 58 59 O 0.07661737472931 0.85994144287893 0.93080491147605 15.999 > 59 60 O 0.76664269417123 0.51321276226087 0.40470845722250 15.999 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.575121500000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.493471599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.949211220000002 Atomic positions (fractional): *1 Ba 0.49198781151484 0.13938667399864 0.61130777844402 137.327 > 1 2 Ba 0.99198781151485 0.13938667399864 0.61130777844402 137.327 > 1 3 Ba 0.25801218848516 0.63938667399864 0.61130777844402 137.327 > 2 4 Ba 0.75801218848515 0.63938667399864 0.61130777844402 137.327 > 2 5 Ba 0.00801218848515 0.63938667399864 0.88869222155598 137.327 > 3 6 Ba 0.50801218848515 0.63938667399864 0.88869222155598 137.327 > 3 7 Ba 0.25801218848516 0.86061332600136 0.11130777844402 137.327 > 4 8 Ba 0.75801218848515 0.86061332600136 0.11130777844402 137.327 > 4 9 Ba 0.49198781151484 0.36061332600136 0.11130777844402 137.327 > 5 10 Ba 0.99198781151485 0.36061332600136 0.11130777844402 137.327 > 5 11 Ba 0.24198781151484 0.36061332600136 0.38869222155598 137.327 > 6 12 Ba 0.74198781151485 0.36061332600136 0.38869222155598 137.327 > 6 13 Ba 0.24198781151484 0.13938667399864 0.88869222155598 137.327 > 7 14 Ba 0.74198781151485 0.13938667399864 0.88869222155598 137.327 > 7 15 Ba 0.00801218848515 0.86061332600136 0.38869222155598 137.327 > 8 16 Ba 0.50801218848515 0.86061332600136 0.38869222155598 137.327 > 8 *17 Nb 0.35539799093448 0.89382121767150 0.74351945337805 92.906 > 9 18 Nb 0.85539799093448 0.89382121767150 0.74351945337805 92.906 > 9 19 Nb 0.35539799093448 0.60617878232850 0.24351945337805 92.906 > 10 20 Nb 0.85539799093448 0.60617878232850 0.24351945337805 92.906 > 10 21 Nb 0.14460200906552 0.10617878232850 0.25648054662195 92.906 > 11 22 Nb 0.64460200906552 0.10617878232850 0.25648054662195 92.906 > 11 23 Nb 0.39460200906552 0.10617878232850 0.24351945337805 92.906 > 12 24 Nb 0.89460200906552 0.10617878232850 0.24351945337805 92.906 > 12 25 Nb 0.39460200906552 0.39382121767150 0.74351945337805 92.906 > 13 26 Nb 0.89460200906552 0.39382121767150 0.74351945337805 92.906 > 13 27 Nb 0.10539799093448 0.89382121767150 0.75648054662195 92.906 > 14 28 Nb 0.60539799093448 0.89382121767150 0.75648054662195 92.906 > 14 29 Nb 0.14460200906552 0.39382121767150 0.75648054662195 92.906 > 15 30 Nb 0.64460200906552 0.39382121767150 0.75648054662195 92.906 > 15 31 Nb 0.10539799093448 0.60617878232850 0.25648054662195 92.906 > 16 32 Nb 0.60539799093448 0.60617878232850 0.25648054662195 92.906 > 16 *33 Te 0.25000000000000 0.50000000000000 0.00000000000000 127.600 > 17 34 Te 0.75000000000000 0.50000000000000 0.00000000000000 127.600 > 17 35 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 18 36 Te 0.50000000000000 0.00000000000000 0.00000000000000 127.600 > 18 37 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 > 19 38 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 > 19 39 Te 0.25000000000000 0.00000000000000 0.50000000000000 127.600 > 20 40 Te 0.75000000000000 0.00000000000000 0.50000000000000 127.600 > 20 *41 O 0.38904281957019 0.24556514888127 0.29510310928896 15.999 > 21 42 O 0.88904281957019 0.24556514888127 0.29510310928896 15.999 > 21 *43 O 0.47343330593021 0.58406655014684 0.16498629102684 15.999 > 22 44 O 0.97343330593021 0.58406655014684 0.16498629102684 15.999 > 22 *45 O 0.11667865291438 0.48678723773913 0.59529154277750 15.999 > 23 46 O 0.61667865291438 0.48678723773913 0.59529154277750 15.999 > 23 47 O 0.13904281957019 0.25443485111873 0.70489689071104 15.999 > 24 48 O 0.63904281957019 0.25443485111873 0.70489689071104 15.999 > 24 49 O 0.36667865291438 0.01321276226087 0.40470845722250 15.999 > 25 50 O 0.86667865291438 0.01321276226087 0.40470845722250 15.999 > 25 51 O 0.36095718042981 0.74556514888127 0.29510310928896 15.999 > 26 52 O 0.86095718042981 0.74556514888127 0.29510310928896 15.999 > 26 *53 O 0.43847553477190 0.94531321047861 0.15476373731191 15.999 > 27 54 O 0.93847553477190 0.94531321047861 0.15476373731191 15.999 > 27 55 O 0.27656669406979 0.08406655014684 0.16498629102684 15.999 > 28 56 O 0.77656669406979 0.08406655014684 0.16498629102684 15.999 > 28 57 O 0.31152446522810 0.05468678952139 0.65476373731191 15.999 > 29 58 O 0.81152446522810 0.05468678952139 0.65476373731191 15.999 > 29 59 O 0.38904281957019 0.25443485111873 0.79510310928896 15.999 > 30 60 O 0.88904281957019 0.25443485111873 0.79510310928896 15.999 > 30 61 O 0.18847553477190 0.94531321047861 0.34523626268809 15.999 > 31 62 O 0.68847553477190 0.94531321047861 0.34523626268809 15.999 > 31 63 O 0.31152446522810 0.44531321047861 0.15476373731191 15.999 > 32 64 O 0.81152446522810 0.44531321047861 0.15476373731191 15.999 > 32 65 O 0.11667865291438 0.01321276226087 0.09529154277750 15.999 > 33 66 O 0.61667865291438 0.01321276226087 0.09529154277750 15.999 > 33 67 O 0.38332134708562 0.98678723773913 0.90470845722250 15.999 > 34 68 O 0.88332134708562 0.98678723773913 0.90470845722250 15.999 > 34 69 O 0.13904281957019 0.24556514888127 0.20489689071104 15.999 > 35 70 O 0.63904281957019 0.24556514888127 0.20489689071104 15.999 > 35 *71 O 0.46169131263534 0.35994144287893 0.56919508852395 15.999 > 36 72 O 0.96169131263534 0.35994144287893 0.56919508852395 15.999 > 36 73 O 0.43847553477190 0.55468678952139 0.65476373731191 15.999 > 37 74 O 0.93847553477190 0.55468678952139 0.65476373731191 15.999 > 37 75 O 0.28830868736466 0.85994144287893 0.56919508852395 15.999 > 38 76 O 0.78830868736466 0.85994144287893 0.56919508852395 15.999 > 38 77 O 0.46169131263534 0.14005855712107 0.06919508852395 15.999 > 39 78 O 0.96169131263534 0.14005855712107 0.06919508852395 15.999 > 39 79 O 0.06152446522810 0.44531321047861 0.34523626268809 15.999 > 40 80 O 0.56152446522810 0.44531321047861 0.34523626268809 15.999 > 40 81 O 0.28830868736466 0.64005855712107 0.06919508852395 15.999 > 41 82 O 0.78830868736466 0.64005855712107 0.06919508852395 15.999 > 41 83 O 0.11095718042981 0.74556514888127 0.20489689071104 15.999 > 42 84 O 0.61095718042981 0.74556514888127 0.20489689071104 15.999 > 42 85 O 0.06152446522810 0.05468678952139 0.84523626268809 15.999 > 43 86 O 0.56152446522810 0.05468678952139 0.84523626268809 15.999 > 43 87 O 0.47343330593021 0.91593344985316 0.66498629102684 15.999 > 44 88 O 0.97343330593021 0.91593344985316 0.66498629102684 15.999 > 44 89 O 0.11095718042981 0.75443485111873 0.70489689071104 15.999 > 45 90 O 0.61095718042981 0.75443485111873 0.70489689071104 15.999 > 45 91 O 0.21169131263534 0.14005855712107 0.43080491147605 15.999 > 46 92 O 0.71169131263534 0.14005855712107 0.43080491147605 15.999 > 46 93 O 0.13332134708562 0.98678723773913 0.59529154277750 15.999 > 47 94 O 0.63332134708562 0.98678723773913 0.59529154277750 15.999 > 47 95 O 0.36667865291438 0.48678723773913 0.90470845722250 15.999 > 48 96 O 0.86667865291438 0.48678723773913 0.90470845722250 15.999 > 48 97 O 0.13332134708562 0.51321276226087 0.09529154277750 15.999 > 49 98 O 0.63332134708562 0.51321276226087 0.09529154277750 15.999 > 49 99 O 0.03830868736466 0.64005855712107 0.43080491147605 15.999 > 50 100 O 0.53830868736466 0.64005855712107 0.43080491147605 15.999 > 50 101 O 0.02656669406979 0.08406655014684 0.33501370897316 15.999 > 51 102 O 0.52656669406979 0.08406655014684 0.33501370897316 15.999 > 51 103 O 0.02656669406979 0.41593344985316 0.83501370897316 15.999 > 52 104 O 0.52656669406979 0.41593344985316 0.83501370897316 15.999 > 52 105 O 0.21169131263534 0.35994144287893 0.93080491147605 15.999 > 53 106 O 0.71169131263534 0.35994144287893 0.93080491147605 15.999 > 53 107 O 0.22343330593021 0.91593344985316 0.83501370897316 15.999 > 54 108 O 0.72343330593021 0.91593344985316 0.83501370897316 15.999 > 54 109 O 0.27656669406979 0.41593344985316 0.66498629102684 15.999 > 55 110 O 0.77656669406979 0.41593344985316 0.66498629102684 15.999 > 55 111 O 0.22343330593021 0.58406655014684 0.33501370897316 15.999 > 56 112 O 0.72343330593021 0.58406655014684 0.33501370897316 15.999 > 56 113 O 0.18847553477190 0.55468678952139 0.84523626268809 15.999 > 57 114 O 0.68847553477190 0.55468678952139 0.84523626268809 15.999 > 57 115 O 0.36095718042981 0.75443485111873 0.79510310928896 15.999 > 58 116 O 0.86095718042981 0.75443485111873 0.79510310928896 15.999 > 58 117 O 0.03830868736466 0.85994144287893 0.93080491147605 15.999 > 59 118 O 0.53830868736466 0.85994144287893 0.93080491147605 15.999 > 59 119 O 0.38332134708562 0.51321276226087 0.40470845722250 15.999 > 60 120 O 0.88332134708562 0.51321276226087 0.40470845722250 15.999 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6241037 0.0000000 0.0000000 0.0000000 3.9276651 0.0000000 0.0000000 0.0000000 4.1173346 -------------------------- Born effective charges -------------------------- 1 Ba 2.6530247 -0.0443527 -0.0705434 0.0297343 3.3300585 0.3811477 0.3024358 0.0827458 2.6843157 2 Ba 2.6530247 0.0443527 0.0705434 -0.0297343 3.3300585 0.3811477 -0.3024358 0.0827458 2.6843157 3 Ba 2.6530247 0.0443527 -0.0705434 -0.0297343 3.3300585 -0.3811477 0.3024358 -0.0827458 2.6843157 4 Ba 2.6530247 -0.0443527 0.0705434 0.0297343 3.3300585 -0.3811477 -0.3024358 -0.0827458 2.6843157 5 Ba 2.6530247 0.0443527 -0.0705434 -0.0297343 3.3300585 -0.3811477 0.3024358 -0.0827458 2.6843157 6 Ba 2.6530247 0.0443527 0.0705434 -0.0297343 3.3300585 0.3811477 -0.3024358 0.0827458 2.6843157 7 Ba 2.6530247 -0.0443527 0.0705434 0.0297343 3.3300585 -0.3811477 -0.3024358 -0.0827458 2.6843157 8 Ba 2.6530247 -0.0443527 -0.0705434 0.0297343 3.3300585 0.3811477 0.3024358 0.0827458 2.6843157 9 Nb 6.9477090 0.5156748 -0.3194886 0.3764007 4.3592710 -0.2259016 0.3441173 0.1653170 4.6696889 10 Nb 6.9477090 -0.5156748 -0.3194886 -0.3764007 4.3592710 0.2259016 0.3441173 -0.1653170 4.6696889 11 Nb 6.9477090 0.5156748 -0.3194886 0.3764007 4.3592710 -0.2259016 0.3441173 0.1653170 4.6696889 12 Nb 6.9477090 0.5156748 0.3194886 0.3764007 4.3592710 0.2259016 -0.3441173 -0.1653170 4.6696889 13 Nb 6.9477090 -0.5156748 0.3194886 -0.3764007 4.3592710 -0.2259016 -0.3441173 0.1653170 4.6696889 14 Nb 6.9477090 0.5156748 0.3194886 0.3764007 4.3592710 0.2259016 -0.3441173 -0.1653170 4.6696889 15 Nb 6.9477090 -0.5156748 -0.3194886 -0.3764007 4.3592710 0.2259016 0.3441173 -0.1653170 4.6696889 16 Nb 6.9477090 -0.5156748 0.3194886 -0.3764007 4.3592710 -0.2259016 -0.3441173 0.1653170 4.6696889 17 Te 5.7612167 1.0161350 0.1223023 -0.3750970 3.6467733 0.9704791 -0.8984617 1.8693320 6.4613363 18 Te 5.7612167 -1.0161350 -0.1223023 0.3750970 3.6467733 0.9704791 0.8984617 1.8693320 6.4613363 19 Te 5.7612167 1.0161350 -0.1223023 -0.3750970 3.6467733 -0.9704791 0.8984617 -1.8693320 6.4613363 20 Te 5.7612167 -1.0161350 0.1223023 0.3750970 3.6467733 -0.9704791 -0.8984617 -1.8693320 6.4613363 21 O -1.3262341 0.0969084 0.2237211 0.1032353 -3.2050532 -0.4728776 0.2152725 -0.4659395 -1.1512362 22 O -4.9513026 0.2757171 0.3956046 0.3648210 -1.0838405 -0.1470054 0.1154300 -0.1514643 -1.7975697 23 O -2.4159645 0.2597849 -0.8782103 0.2695483 -1.5287702 0.8102873 -0.8869671 1.0465908 -2.8609466 24 O -1.3262341 -0.0969084 -0.2237211 -0.1032353 -3.2050532 -0.4728776 -0.2152725 -0.4659395 -1.1512362 25 O -2.4159645 -0.2597849 0.8782103 -0.2695483 -1.5287702 0.8102873 0.8869671 1.0465908 -2.8609466 26 O -1.3262341 -0.0969084 -0.2237211 -0.1032353 -3.2050532 -0.4728776 -0.2152725 -0.4659395 -1.1512362 27 O -1.8664496 0.1581535 0.1892748 -0.0802979 -1.9228869 -0.0816222 0.1597648 -0.2981927 -2.2295174 28 O -4.9513026 -0.2757171 -0.3956046 -0.3648210 -1.0838405 -0.1470054 -0.1154300 -0.1514643 -1.7975697 29 O -1.8664496 0.1581535 -0.1892748 -0.0802979 -1.9228869 0.0816222 -0.1597648 0.2981927 -2.2295174 30 O -1.3262341 -0.0969084 0.2237211 -0.1032353 -3.2050532 0.4728776 0.2152725 0.4659395 -1.1512362 31 O -1.8664496 0.1581535 -0.1892748 -0.0802979 -1.9228869 0.0816222 -0.1597648 0.2981927 -2.2295174 32 O -1.8664496 -0.1581535 -0.1892748 0.0802979 -1.9228869 -0.0816222 -0.1597648 -0.2981927 -2.2295174 33 O -2.4159645 -0.2597849 -0.8782103 -0.2695483 -1.5287702 -0.8102873 -0.8869671 -1.0465908 -2.8609466 34 O -2.4159645 -0.2597849 -0.8782103 -0.2695483 -1.5287702 -0.8102873 -0.8869671 -1.0465908 -2.8609466 35 O -1.3262341 0.0969084 -0.2237211 0.1032353 -3.2050532 0.4728776 -0.2152725 0.4659395 -1.1512362 36 O -1.9213913 -0.2736433 0.8578671 -0.1366786 -1.7721654 0.2184696 0.6691254 0.3862069 -2.5454027 37 O -1.8664496 -0.1581535 0.1892748 0.0802979 -1.9228869 0.0816222 0.1597648 0.2981927 -2.2295174 38 O -1.9213913 0.2736433 -0.8578671 0.1366786 -1.7721654 0.2184696 -0.6691254 0.3862069 -2.5454027 39 O -1.9213913 0.2736433 0.8578671 0.1366786 -1.7721654 -0.2184696 0.6691254 -0.3862069 -2.5454027 40 O -1.8664496 -0.1581535 0.1892748 0.0802979 -1.9228869 0.0816222 0.1597648 0.2981927 -2.2295174 41 O -1.9213913 -0.2736433 -0.8578671 -0.1366786 -1.7721654 -0.2184696 -0.6691254 -0.3862069 -2.5454027 42 O -1.3262341 -0.0969084 0.2237211 -0.1032353 -3.2050532 0.4728776 0.2152725 0.4659395 -1.1512362 43 O -1.8664496 0.1581535 0.1892748 -0.0802979 -1.9228869 -0.0816222 0.1597648 -0.2981927 -2.2295174 44 O -4.9513026 -0.2757171 0.3956046 -0.3648210 -1.0838405 0.1470054 0.1154300 0.1514643 -1.7975697 45 O -1.3262341 0.0969084 0.2237211 0.1032353 -3.2050532 -0.4728776 0.2152725 -0.4659395 -1.1512362 46 O -1.9213913 0.2736433 -0.8578671 0.1366786 -1.7721654 0.2184696 -0.6691254 0.3862069 -2.5454027 47 O -2.4159645 -0.2597849 0.8782103 -0.2695483 -1.5287702 0.8102873 0.8869671 1.0465908 -2.8609466 48 O -2.4159645 0.2597849 0.8782103 0.2695483 -1.5287702 -0.8102873 0.8869671 -1.0465908 -2.8609466 49 O -2.4159645 0.2597849 0.8782103 0.2695483 -1.5287702 -0.8102873 0.8869671 -1.0465908 -2.8609466 50 O -1.9213913 -0.2736433 0.8578671 -0.1366786 -1.7721654 0.2184696 0.6691254 0.3862069 -2.5454027 51 O -4.9513026 -0.2757171 0.3956046 -0.3648210 -1.0838405 0.1470054 0.1154300 0.1514643 -1.7975697 52 O -4.9513026 0.2757171 0.3956046 0.3648210 -1.0838405 -0.1470054 0.1154300 -0.1514643 -1.7975697 53 O -1.9213913 -0.2736433 -0.8578671 -0.1366786 -1.7721654 -0.2184696 -0.6691254 -0.3862069 -2.5454027 54 O -4.9513026 -0.2757171 -0.3956046 -0.3648210 -1.0838405 -0.1470054 -0.1154300 -0.1514643 -1.7975697 55 O -4.9513026 0.2757171 -0.3956046 0.3648210 -1.0838405 0.1470054 -0.1154300 0.1514643 -1.7975697 56 O -4.9513026 0.2757171 -0.3956046 0.3648210 -1.0838405 0.1470054 -0.1154300 0.1514643 -1.7975697 57 O -1.8664496 -0.1581535 -0.1892748 0.0802979 -1.9228869 -0.0816222 -0.1597648 -0.2981927 -2.2295174 58 O -1.3262341 0.0969084 -0.2237211 0.1032353 -3.2050532 0.4728776 -0.2152725 0.4659395 -1.1512362 59 O -1.9213913 0.2736433 0.8578671 0.1366786 -1.7721654 -0.2184696 0.6691254 -0.3862069 -2.5454027 60 O -2.4159645 0.2597849 -0.8782103 0.2695483 -1.5287702 0.8102873 -0.8869671 1.0465908 -2.8609466 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4194 Number of blocks in projector: 4194 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: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 902 / 902 (1) 388 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 902 / 902 (1) 388 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 902 / 902 (1) 387 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 496 Use standard eigh solver. Tree of FC basis block matrices: - (4194, 4122), data: False |-- (496, 488), data: True |-- (496, 488), data: True |-- (496, 488), data: True |-- (902, 886), data: False |-- (902, 15), data: (902, 31) @ (31, 15) |-- (402, 387), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (902, 886), data: False |-- (902, 14), data: (902, 30) @ (30, 14) |-- (402, 388), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (902, 886), data: False |-- (902, 14), data: (902, 30) @ (30, 14) |-- (402, 388), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.167 Solver_block: 200 / 960 - Time: 1.019 Solver_block: 300 / 960 - Time: 1.015 Solver_block: 400 / 960 - Time: 1.016 Solver_block: 500 / 960 - Time: 1.013 Solver_block: 600 / 960 - Time: 1.015 Solver_block: 700 / 960 - Time: 1.010 Solver_block: 800 / 960 - Time: 1.015 Solver_block: 900 / 960 - Time: 1.012 Solver_block: 960 / 960 - Time: 0.727 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.279 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4194 Number of blocks in projector: 4194 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: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 902 / 902 (1) 388 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 902 / 902 (1) 388 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 902 / 902 (1) 387 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 496 Use standard eigh solver. Tree of FC basis block matrices: - (4194, 4122), data: False |-- (496, 488), data: True |-- (496, 488), data: True |-- (496, 488), data: True |-- (902, 886), data: False |-- (902, 15), data: (902, 31) @ (31, 15) |-- (402, 387), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (902, 886), data: False |-- (902, 14), data: (902, 30) @ (30, 14) |-- (402, 388), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (902, 886), data: False |-- (902, 14), data: (902, 30) @ (30, 14) |-- (402, 388), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), 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 2026-01-08 13:15:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:15:13]------------------------- 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): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.287560750000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.493471599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.949211220000002 Atomic positions (fractional): 1 Ba 0.98397562302969 0.13938667399864 0.61130777844402 137.327 2 Ba 0.51602437697031 0.63938667399864 0.61130777844402 137.327 3 Ba 0.01602437697031 0.63938667399864 0.88869222155598 137.327 4 Ba 0.51602437697031 0.86061332600136 0.11130777844402 137.327 5 Ba 0.98397562302969 0.36061332600136 0.11130777844402 137.327 6 Ba 0.48397562302969 0.36061332600136 0.38869222155598 137.327 7 Ba 0.48397562302969 0.13938667399864 0.88869222155598 137.327 8 Ba 0.01602437697031 0.86061332600136 0.38869222155598 137.327 9 Nb 0.71079598186897 0.89382121767150 0.74351945337805 92.906 10 Nb 0.71079598186897 0.60617878232850 0.24351945337805 92.906 11 Nb 0.28920401813103 0.10617878232850 0.25648054662195 92.906 12 Nb 0.78920401813103 0.10617878232850 0.24351945337805 92.906 13 Nb 0.78920401813103 0.39382121767150 0.74351945337805 92.906 14 Nb 0.21079598186897 0.89382121767150 0.75648054662195 92.906 15 Nb 0.28920401813103 0.39382121767150 0.75648054662195 92.906 16 Nb 0.21079598186897 0.60617878232850 0.25648054662195 92.906 17 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 18 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 19 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 20 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 21 O 0.77808563914038 0.24556514888127 0.29510310928896 15.999 22 O 0.94686661186041 0.58406655014684 0.16498629102684 15.999 23 O 0.23335730582877 0.48678723773913 0.59529154277750 15.999 24 O 0.27808563914038 0.25443485111873 0.70489689071104 15.999 25 O 0.73335730582877 0.01321276226087 0.40470845722250 15.999 26 O 0.72191436085962 0.74556514888127 0.29510310928896 15.999 27 O 0.87695106954380 0.94531321047861 0.15476373731191 15.999 28 O 0.55313338813959 0.08406655014684 0.16498629102684 15.999 29 O 0.62304893045620 0.05468678952139 0.65476373731191 15.999 30 O 0.77808563914038 0.25443485111873 0.79510310928896 15.999 31 O 0.37695106954380 0.94531321047861 0.34523626268809 15.999 32 O 0.62304893045620 0.44531321047861 0.15476373731191 15.999 33 O 0.23335730582877 0.01321276226087 0.09529154277750 15.999 34 O 0.76664269417123 0.98678723773913 0.90470845722250 15.999 35 O 0.27808563914038 0.24556514888127 0.20489689071104 15.999 36 O 0.92338262527069 0.35994144287893 0.56919508852395 15.999 37 O 0.87695106954380 0.55468678952139 0.65476373731191 15.999 38 O 0.57661737472931 0.85994144287893 0.56919508852395 15.999 39 O 0.92338262527069 0.14005855712107 0.06919508852395 15.999 40 O 0.12304893045620 0.44531321047861 0.34523626268809 15.999 41 O 0.57661737472931 0.64005855712107 0.06919508852395 15.999 42 O 0.22191436085962 0.74556514888127 0.20489689071104 15.999 43 O 0.12304893045620 0.05468678952139 0.84523626268809 15.999 44 O 0.94686661186041 0.91593344985316 0.66498629102684 15.999 45 O 0.22191436085962 0.75443485111873 0.70489689071104 15.999 46 O 0.42338262527069 0.14005855712107 0.43080491147605 15.999 47 O 0.26664269417123 0.98678723773913 0.59529154277750 15.999 48 O 0.73335730582877 0.48678723773913 0.90470845722250 15.999 49 O 0.26664269417123 0.51321276226087 0.09529154277750 15.999 50 O 0.07661737472931 0.64005855712107 0.43080491147605 15.999 51 O 0.05313338813959 0.08406655014684 0.33501370897316 15.999 52 O 0.05313338813959 0.41593344985316 0.83501370897316 15.999 53 O 0.42338262527069 0.35994144287893 0.93080491147605 15.999 54 O 0.44686661186041 0.91593344985316 0.83501370897316 15.999 55 O 0.55313338813959 0.41593344985316 0.66498629102684 15.999 56 O 0.44686661186041 0.58406655014684 0.33501370897316 15.999 57 O 0.37695106954380 0.55468678952139 0.84523626268809 15.999 58 O 0.72191436085962 0.75443485111873 0.79510310928896 15.999 59 O 0.07661737472931 0.85994144287893 0.93080491147605 15.999 60 O 0.76664269417123 0.51321276226087 0.40470845722250 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.575121500000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.493471599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.949211220000002 Atomic positions (fractional): 1 Ba 0.49198781151484 0.13938667399864 0.61130777844402 137.327 > 1 2 Ba 0.99198781151485 0.13938667399864 0.61130777844402 137.327 > 1 3 Ba 0.25801218848516 0.63938667399864 0.61130777844402 137.327 > 3 4 Ba 0.75801218848515 0.63938667399864 0.61130777844402 137.327 > 3 5 Ba 0.00801218848515 0.63938667399864 0.88869222155598 137.327 > 5 6 Ba 0.50801218848515 0.63938667399864 0.88869222155598 137.327 > 5 7 Ba 0.25801218848516 0.86061332600136 0.11130777844402 137.327 > 7 8 Ba 0.75801218848515 0.86061332600136 0.11130777844402 137.327 > 7 9 Ba 0.49198781151484 0.36061332600136 0.11130777844402 137.327 > 9 10 Ba 0.99198781151485 0.36061332600136 0.11130777844402 137.327 > 9 11 Ba 0.24198781151484 0.36061332600136 0.38869222155598 137.327 > 11 12 Ba 0.74198781151485 0.36061332600136 0.38869222155598 137.327 > 11 13 Ba 0.24198781151484 0.13938667399864 0.88869222155598 137.327 > 13 14 Ba 0.74198781151485 0.13938667399864 0.88869222155598 137.327 > 13 15 Ba 0.00801218848515 0.86061332600136 0.38869222155598 137.327 > 15 16 Ba 0.50801218848515 0.86061332600136 0.38869222155598 137.327 > 15 17 Nb 0.35539799093448 0.89382121767150 0.74351945337805 92.906 > 17 18 Nb 0.85539799093448 0.89382121767150 0.74351945337805 92.906 > 17 19 Nb 0.35539799093448 0.60617878232850 0.24351945337805 92.906 > 19 20 Nb 0.85539799093448 0.60617878232850 0.24351945337805 92.906 > 19 21 Nb 0.14460200906552 0.10617878232850 0.25648054662195 92.906 > 21 22 Nb 0.64460200906552 0.10617878232850 0.25648054662195 92.906 > 21 23 Nb 0.39460200906552 0.10617878232850 0.24351945337805 92.906 > 23 24 Nb 0.89460200906552 0.10617878232850 0.24351945337805 92.906 > 23 25 Nb 0.39460200906552 0.39382121767150 0.74351945337805 92.906 > 25 26 Nb 0.89460200906552 0.39382121767150 0.74351945337805 92.906 > 25 27 Nb 0.10539799093448 0.89382121767150 0.75648054662195 92.906 > 27 28 Nb 0.60539799093448 0.89382121767150 0.75648054662195 92.906 > 27 29 Nb 0.14460200906552 0.39382121767150 0.75648054662195 92.906 > 29 30 Nb 0.64460200906552 0.39382121767150 0.75648054662195 92.906 > 29 31 Nb 0.10539799093448 0.60617878232850 0.25648054662195 92.906 > 31 32 Nb 0.60539799093448 0.60617878232850 0.25648054662195 92.906 > 31 33 Te 0.25000000000000 0.50000000000000 0.00000000000000 127.600 > 33 34 Te 0.75000000000000 0.50000000000000 0.00000000000000 127.600 > 33 35 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 35 36 Te 0.50000000000000 0.00000000000000 0.00000000000000 127.600 > 35 37 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 > 37 38 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 > 37 39 Te 0.25000000000000 0.00000000000000 0.50000000000000 127.600 > 39 40 Te 0.75000000000000 0.00000000000000 0.50000000000000 127.600 > 39 41 O 0.38904281957019 0.24556514888127 0.29510310928896 15.999 > 41 42 O 0.88904281957019 0.24556514888127 0.29510310928896 15.999 > 41 43 O 0.47343330593021 0.58406655014684 0.16498629102684 15.999 > 43 44 O 0.97343330593021 0.58406655014684 0.16498629102684 15.999 > 43 45 O 0.11667865291438 0.48678723773913 0.59529154277750 15.999 > 45 46 O 0.61667865291438 0.48678723773913 0.59529154277750 15.999 > 45 47 O 0.13904281957019 0.25443485111873 0.70489689071104 15.999 > 47 48 O 0.63904281957019 0.25443485111873 0.70489689071104 15.999 > 47 49 O 0.36667865291438 0.01321276226087 0.40470845722250 15.999 > 49 50 O 0.86667865291438 0.01321276226087 0.40470845722250 15.999 > 49 51 O 0.36095718042981 0.74556514888127 0.29510310928896 15.999 > 51 52 O 0.86095718042981 0.74556514888127 0.29510310928896 15.999 > 51 53 O 0.43847553477190 0.94531321047861 0.15476373731191 15.999 > 53 54 O 0.93847553477190 0.94531321047861 0.15476373731191 15.999 > 53 55 O 0.27656669406979 0.08406655014684 0.16498629102684 15.999 > 55 56 O 0.77656669406979 0.08406655014684 0.16498629102684 15.999 > 55 57 O 0.31152446522810 0.05468678952139 0.65476373731191 15.999 > 57 58 O 0.81152446522810 0.05468678952139 0.65476373731191 15.999 > 57 59 O 0.38904281957019 0.25443485111873 0.79510310928896 15.999 > 59 60 O 0.88904281957019 0.25443485111873 0.79510310928896 15.999 > 59 61 O 0.18847553477190 0.94531321047861 0.34523626268809 15.999 > 61 62 O 0.68847553477190 0.94531321047861 0.34523626268809 15.999 > 61 63 O 0.31152446522810 0.44531321047861 0.15476373731191 15.999 > 63 64 O 0.81152446522810 0.44531321047861 0.15476373731191 15.999 > 63 65 O 0.11667865291438 0.01321276226087 0.09529154277750 15.999 > 65 66 O 0.61667865291438 0.01321276226087 0.09529154277750 15.999 > 65 67 O 0.38332134708562 0.98678723773913 0.90470845722250 15.999 > 67 68 O 0.88332134708562 0.98678723773913 0.90470845722250 15.999 > 67 69 O 0.13904281957019 0.24556514888127 0.20489689071104 15.999 > 69 70 O 0.63904281957019 0.24556514888127 0.20489689071104 15.999 > 69 71 O 0.46169131263534 0.35994144287893 0.56919508852395 15.999 > 71 72 O 0.96169131263534 0.35994144287893 0.56919508852395 15.999 > 71 73 O 0.43847553477190 0.55468678952139 0.65476373731191 15.999 > 73 74 O 0.93847553477190 0.55468678952139 0.65476373731191 15.999 > 73 75 O 0.28830868736466 0.85994144287893 0.56919508852395 15.999 > 75 76 O 0.78830868736466 0.85994144287893 0.56919508852395 15.999 > 75 77 O 0.46169131263534 0.14005855712107 0.06919508852395 15.999 > 77 78 O 0.96169131263534 0.14005855712107 0.06919508852395 15.999 > 77 79 O 0.06152446522810 0.44531321047861 0.34523626268809 15.999 > 79 80 O 0.56152446522810 0.44531321047861 0.34523626268809 15.999 > 79 81 O 0.28830868736466 0.64005855712107 0.06919508852395 15.999 > 81 82 O 0.78830868736466 0.64005855712107 0.06919508852395 15.999 > 81 83 O 0.11095718042981 0.74556514888127 0.20489689071104 15.999 > 83 84 O 0.61095718042981 0.74556514888127 0.20489689071104 15.999 > 83 85 O 0.06152446522810 0.05468678952139 0.84523626268809 15.999 > 85 86 O 0.56152446522810 0.05468678952139 0.84523626268809 15.999 > 85 87 O 0.47343330593021 0.91593344985316 0.66498629102684 15.999 > 87 88 O 0.97343330593021 0.91593344985316 0.66498629102684 15.999 > 87 89 O 0.11095718042981 0.75443485111873 0.70489689071104 15.999 > 89 90 O 0.61095718042981 0.75443485111873 0.70489689071104 15.999 > 89 91 O 0.21169131263534 0.14005855712107 0.43080491147605 15.999 > 91 92 O 0.71169131263534 0.14005855712107 0.43080491147605 15.999 > 91 93 O 0.13332134708562 0.98678723773913 0.59529154277750 15.999 > 93 94 O 0.63332134708562 0.98678723773913 0.59529154277750 15.999 > 93 95 O 0.36667865291438 0.48678723773913 0.90470845722250 15.999 > 95 96 O 0.86667865291438 0.48678723773913 0.90470845722250 15.999 > 95 97 O 0.13332134708562 0.51321276226087 0.09529154277750 15.999 > 97 98 O 0.63332134708562 0.51321276226087 0.09529154277750 15.999 > 97 99 O 0.03830868736466 0.64005855712107 0.43080491147605 15.999 > 99 100 O 0.53830868736466 0.64005855712107 0.43080491147605 15.999 > 99 101 O 0.02656669406979 0.08406655014684 0.33501370897316 15.999 > 101 102 O 0.52656669406979 0.08406655014684 0.33501370897316 15.999 > 101 103 O 0.02656669406979 0.41593344985316 0.83501370897316 15.999 > 103 104 O 0.52656669406979 0.41593344985316 0.83501370897316 15.999 > 103 105 O 0.21169131263534 0.35994144287893 0.93080491147605 15.999 > 105 106 O 0.71169131263534 0.35994144287893 0.93080491147605 15.999 > 105 107 O 0.22343330593021 0.91593344985316 0.83501370897316 15.999 > 107 108 O 0.72343330593021 0.91593344985316 0.83501370897316 15.999 > 107 109 O 0.27656669406979 0.41593344985316 0.66498629102684 15.999 > 109 110 O 0.77656669406979 0.41593344985316 0.66498629102684 15.999 > 109 111 O 0.22343330593021 0.58406655014684 0.33501370897316 15.999 > 111 112 O 0.72343330593021 0.58406655014684 0.33501370897316 15.999 > 111 113 O 0.18847553477190 0.55468678952139 0.84523626268809 15.999 > 113 114 O 0.68847553477190 0.55468678952139 0.84523626268809 15.999 > 113 115 O 0.36095718042981 0.75443485111873 0.79510310928896 15.999 > 115 116 O 0.86095718042981 0.75443485111873 0.79510310928896 15.999 > 115 117 O 0.03830868736466 0.85994144287893 0.93080491147605 15.999 > 117 118 O 0.53830868736466 0.85994144287893 0.93080491147605 15.999 > 117 119 O 0.38332134708562 0.51321276226087 0.40470845722250 15.999 > 119 120 O 0.88332134708562 0.51321276226087 0.40470845722250 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6241037 0.0000000 0.0000000 0.0000000 3.9276651 0.0000000 0.0000000 0.0000000 4.1173346 -------------------------- Born effective charges -------------------------- 1 Ba 2.6530247 -0.0443527 -0.0705434 0.0297343 3.3300585 0.3811477 0.3024358 0.0827458 2.6843157 2 Ba 2.6530247 0.0443527 0.0705434 -0.0297343 3.3300585 0.3811477 -0.3024358 0.0827458 2.6843157 3 Ba 2.6530247 0.0443527 -0.0705434 -0.0297343 3.3300585 -0.3811477 0.3024358 -0.0827458 2.6843157 4 Ba 2.6530247 -0.0443527 0.0705434 0.0297343 3.3300585 -0.3811477 -0.3024358 -0.0827458 2.6843157 5 Ba 2.6530247 0.0443527 -0.0705434 -0.0297343 3.3300585 -0.3811477 0.3024358 -0.0827458 2.6843157 6 Ba 2.6530247 0.0443527 0.0705434 -0.0297343 3.3300585 0.3811477 -0.3024358 0.0827458 2.6843157 7 Ba 2.6530247 -0.0443527 0.0705434 0.0297343 3.3300585 -0.3811477 -0.3024358 -0.0827458 2.6843157 8 Ba 2.6530247 -0.0443527 -0.0705434 0.0297343 3.3300585 0.3811477 0.3024358 0.0827458 2.6843157 9 Nb 6.9477090 0.5156748 -0.3194886 0.3764007 4.3592710 -0.2259016 0.3441173 0.1653170 4.6696889 10 Nb 6.9477090 -0.5156748 -0.3194886 -0.3764007 4.3592710 0.2259016 0.3441173 -0.1653170 4.6696889 11 Nb 6.9477090 0.5156748 -0.3194886 0.3764007 4.3592710 -0.2259016 0.3441173 0.1653170 4.6696889 12 Nb 6.9477090 0.5156748 0.3194886 0.3764007 4.3592710 0.2259016 -0.3441173 -0.1653170 4.6696889 13 Nb 6.9477090 -0.5156748 0.3194886 -0.3764007 4.3592710 -0.2259016 -0.3441173 0.1653170 4.6696889 14 Nb 6.9477090 0.5156748 0.3194886 0.3764007 4.3592710 0.2259016 -0.3441173 -0.1653170 4.6696889 15 Nb 6.9477090 -0.5156748 -0.3194886 -0.3764007 4.3592710 0.2259016 0.3441173 -0.1653170 4.6696889 16 Nb 6.9477090 -0.5156748 0.3194886 -0.3764007 4.3592710 -0.2259016 -0.3441173 0.1653170 4.6696889 17 Te 5.7612167 1.0161350 0.1223023 -0.3750970 3.6467733 0.9704791 -0.8984617 1.8693320 6.4613363 18 Te 5.7612167 -1.0161350 -0.1223023 0.3750970 3.6467733 0.9704791 0.8984617 1.8693320 6.4613363 19 Te 5.7612167 1.0161350 -0.1223023 -0.3750970 3.6467733 -0.9704791 0.8984617 -1.8693320 6.4613363 20 Te 5.7612167 -1.0161350 0.1223023 0.3750970 3.6467733 -0.9704791 -0.8984617 -1.8693320 6.4613363 21 O -1.3262341 0.0969084 0.2237211 0.1032353 -3.2050532 -0.4728776 0.2152725 -0.4659395 -1.1512362 22 O -4.9513026 0.2757171 0.3956046 0.3648210 -1.0838405 -0.1470054 0.1154300 -0.1514643 -1.7975697 23 O -2.4159645 0.2597849 -0.8782103 0.2695483 -1.5287702 0.8102873 -0.8869671 1.0465908 -2.8609466 24 O -1.3262341 -0.0969084 -0.2237211 -0.1032353 -3.2050532 -0.4728776 -0.2152725 -0.4659395 -1.1512362 25 O -2.4159645 -0.2597849 0.8782103 -0.2695483 -1.5287702 0.8102873 0.8869671 1.0465908 -2.8609466 26 O -1.3262341 -0.0969084 -0.2237211 -0.1032353 -3.2050532 -0.4728776 -0.2152725 -0.4659395 -1.1512362 27 O -1.8664496 0.1581535 0.1892748 -0.0802979 -1.9228869 -0.0816222 0.1597648 -0.2981927 -2.2295174 28 O -4.9513026 -0.2757171 -0.3956046 -0.3648210 -1.0838405 -0.1470054 -0.1154300 -0.1514643 -1.7975697 29 O -1.8664496 0.1581535 -0.1892748 -0.0802979 -1.9228869 0.0816222 -0.1597648 0.2981927 -2.2295174 30 O -1.3262341 -0.0969084 0.2237211 -0.1032353 -3.2050532 0.4728776 0.2152725 0.4659395 -1.1512362 31 O -1.8664496 0.1581535 -0.1892748 -0.0802979 -1.9228869 0.0816222 -0.1597648 0.2981927 -2.2295174 32 O -1.8664496 -0.1581535 -0.1892748 0.0802979 -1.9228869 -0.0816222 -0.1597648 -0.2981927 -2.2295174 33 O -2.4159645 -0.2597849 -0.8782103 -0.2695483 -1.5287702 -0.8102873 -0.8869671 -1.0465908 -2.8609466 34 O -2.4159645 -0.2597849 -0.8782103 -0.2695483 -1.5287702 -0.8102873 -0.8869671 -1.0465908 -2.8609466 35 O -1.3262341 0.0969084 -0.2237211 0.1032353 -3.2050532 0.4728776 -0.2152725 0.4659395 -1.1512362 36 O -1.9213913 -0.2736433 0.8578671 -0.1366786 -1.7721654 0.2184696 0.6691254 0.3862069 -2.5454027 37 O -1.8664496 -0.1581535 0.1892748 0.0802979 -1.9228869 0.0816222 0.1597648 0.2981927 -2.2295174 38 O -1.9213913 0.2736433 -0.8578671 0.1366786 -1.7721654 0.2184696 -0.6691254 0.3862069 -2.5454027 39 O -1.9213913 0.2736433 0.8578671 0.1366786 -1.7721654 -0.2184696 0.6691254 -0.3862069 -2.5454027 40 O -1.8664496 -0.1581535 0.1892748 0.0802979 -1.9228869 0.0816222 0.1597648 0.2981927 -2.2295174 41 O -1.9213913 -0.2736433 -0.8578671 -0.1366786 -1.7721654 -0.2184696 -0.6691254 -0.3862069 -2.5454027 42 O -1.3262341 -0.0969084 0.2237211 -0.1032353 -3.2050532 0.4728776 0.2152725 0.4659395 -1.1512362 43 O -1.8664496 0.1581535 0.1892748 -0.0802979 -1.9228869 -0.0816222 0.1597648 -0.2981927 -2.2295174 44 O -4.9513026 -0.2757171 0.3956046 -0.3648210 -1.0838405 0.1470054 0.1154300 0.1514643 -1.7975697 45 O -1.3262341 0.0969084 0.2237211 0.1032353 -3.2050532 -0.4728776 0.2152725 -0.4659395 -1.1512362 46 O -1.9213913 0.2736433 -0.8578671 0.1366786 -1.7721654 0.2184696 -0.6691254 0.3862069 -2.5454027 47 O -2.4159645 -0.2597849 0.8782103 -0.2695483 -1.5287702 0.8102873 0.8869671 1.0465908 -2.8609466 48 O -2.4159645 0.2597849 0.8782103 0.2695483 -1.5287702 -0.8102873 0.8869671 -1.0465908 -2.8609466 49 O -2.4159645 0.2597849 0.8782103 0.2695483 -1.5287702 -0.8102873 0.8869671 -1.0465908 -2.8609466 50 O -1.9213913 -0.2736433 0.8578671 -0.1366786 -1.7721654 0.2184696 0.6691254 0.3862069 -2.5454027 51 O -4.9513026 -0.2757171 0.3956046 -0.3648210 -1.0838405 0.1470054 0.1154300 0.1514643 -1.7975697 52 O -4.9513026 0.2757171 0.3956046 0.3648210 -1.0838405 -0.1470054 0.1154300 -0.1514643 -1.7975697 53 O -1.9213913 -0.2736433 -0.8578671 -0.1366786 -1.7721654 -0.2184696 -0.6691254 -0.3862069 -2.5454027 54 O -4.9513026 -0.2757171 -0.3956046 -0.3648210 -1.0838405 -0.1470054 -0.1154300 -0.1514643 -1.7975697 55 O -4.9513026 0.2757171 -0.3956046 0.3648210 -1.0838405 0.1470054 -0.1154300 0.1514643 -1.7975697 56 O -4.9513026 0.2757171 -0.3956046 0.3648210 -1.0838405 0.1470054 -0.1154300 0.1514643 -1.7975697 57 O -1.8664496 -0.1581535 -0.1892748 0.0802979 -1.9228869 -0.0816222 -0.1597648 -0.2981927 -2.2295174 58 O -1.3262341 0.0969084 -0.2237211 0.1032353 -3.2050532 0.4728776 -0.2152725 0.4659395 -1.1512362 59 O -1.9213913 0.2736433 0.8578671 0.1366786 -1.7721654 -0.2184696 0.6691254 -0.3862069 -2.5454027 60 O -2.4159645 0.2597849 -0.8782103 0.2695483 -1.5287702 0.8102873 -0.8869671 1.0465908 -2.8609466 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 45, 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[ 53, 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[ 71, 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 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:16:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:16:01]------------------------- 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): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.287560750000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.493471599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.949211220000002 Atomic positions (fractional): 1 Ba 0.98397562302969 0.13938667399864 0.61130777844402 137.327 2 Ba 0.51602437697031 0.63938667399864 0.61130777844402 137.327 3 Ba 0.01602437697031 0.63938667399864 0.88869222155598 137.327 4 Ba 0.51602437697031 0.86061332600136 0.11130777844402 137.327 5 Ba 0.98397562302969 0.36061332600136 0.11130777844402 137.327 6 Ba 0.48397562302969 0.36061332600136 0.38869222155598 137.327 7 Ba 0.48397562302969 0.13938667399864 0.88869222155598 137.327 8 Ba 0.01602437697031 0.86061332600136 0.38869222155598 137.327 9 Nb 0.71079598186897 0.89382121767150 0.74351945337805 92.906 10 Nb 0.71079598186897 0.60617878232850 0.24351945337805 92.906 11 Nb 0.28920401813103 0.10617878232850 0.25648054662195 92.906 12 Nb 0.78920401813103 0.10617878232850 0.24351945337805 92.906 13 Nb 0.78920401813103 0.39382121767150 0.74351945337805 92.906 14 Nb 0.21079598186897 0.89382121767150 0.75648054662195 92.906 15 Nb 0.28920401813103 0.39382121767150 0.75648054662195 92.906 16 Nb 0.21079598186897 0.60617878232850 0.25648054662195 92.906 17 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 18 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 19 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 20 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 21 O 0.77808563914038 0.24556514888127 0.29510310928896 15.999 22 O 0.94686661186041 0.58406655014684 0.16498629102684 15.999 23 O 0.23335730582877 0.48678723773913 0.59529154277750 15.999 24 O 0.27808563914038 0.25443485111873 0.70489689071104 15.999 25 O 0.73335730582877 0.01321276226087 0.40470845722250 15.999 26 O 0.72191436085962 0.74556514888127 0.29510310928896 15.999 27 O 0.87695106954380 0.94531321047861 0.15476373731191 15.999 28 O 0.55313338813959 0.08406655014684 0.16498629102684 15.999 29 O 0.62304893045620 0.05468678952139 0.65476373731191 15.999 30 O 0.77808563914038 0.25443485111873 0.79510310928896 15.999 31 O 0.37695106954380 0.94531321047861 0.34523626268809 15.999 32 O 0.62304893045620 0.44531321047861 0.15476373731191 15.999 33 O 0.23335730582877 0.01321276226087 0.09529154277750 15.999 34 O 0.76664269417123 0.98678723773913 0.90470845722250 15.999 35 O 0.27808563914038 0.24556514888127 0.20489689071104 15.999 36 O 0.92338262527069 0.35994144287893 0.56919508852395 15.999 37 O 0.87695106954380 0.55468678952139 0.65476373731191 15.999 38 O 0.57661737472931 0.85994144287893 0.56919508852395 15.999 39 O 0.92338262527069 0.14005855712107 0.06919508852395 15.999 40 O 0.12304893045620 0.44531321047861 0.34523626268809 15.999 41 O 0.57661737472931 0.64005855712107 0.06919508852395 15.999 42 O 0.22191436085962 0.74556514888127 0.20489689071104 15.999 43 O 0.12304893045620 0.05468678952139 0.84523626268809 15.999 44 O 0.94686661186041 0.91593344985316 0.66498629102684 15.999 45 O 0.22191436085962 0.75443485111873 0.70489689071104 15.999 46 O 0.42338262527069 0.14005855712107 0.43080491147605 15.999 47 O 0.26664269417123 0.98678723773913 0.59529154277750 15.999 48 O 0.73335730582877 0.48678723773913 0.90470845722250 15.999 49 O 0.26664269417123 0.51321276226087 0.09529154277750 15.999 50 O 0.07661737472931 0.64005855712107 0.43080491147605 15.999 51 O 0.05313338813959 0.08406655014684 0.33501370897316 15.999 52 O 0.05313338813959 0.41593344985316 0.83501370897316 15.999 53 O 0.42338262527069 0.35994144287893 0.93080491147605 15.999 54 O 0.44686661186041 0.91593344985316 0.83501370897316 15.999 55 O 0.55313338813959 0.41593344985316 0.66498629102684 15.999 56 O 0.44686661186041 0.58406655014684 0.33501370897316 15.999 57 O 0.37695106954380 0.55468678952139 0.84523626268809 15.999 58 O 0.72191436085962 0.75443485111873 0.79510310928896 15.999 59 O 0.07661737472931 0.85994144287893 0.93080491147605 15.999 60 O 0.76664269417123 0.51321276226087 0.40470845722250 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.575121500000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.493471599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.949211220000002 Atomic positions (fractional): 1 Ba 0.49198781151484 0.13938667399864 0.61130777844402 137.327 > 1 2 Ba 0.99198781151485 0.13938667399864 0.61130777844402 137.327 > 1 3 Ba 0.25801218848516 0.63938667399864 0.61130777844402 137.327 > 3 4 Ba 0.75801218848515 0.63938667399864 0.61130777844402 137.327 > 3 5 Ba 0.00801218848515 0.63938667399864 0.88869222155598 137.327 > 5 6 Ba 0.50801218848515 0.63938667399864 0.88869222155598 137.327 > 5 7 Ba 0.25801218848516 0.86061332600136 0.11130777844402 137.327 > 7 8 Ba 0.75801218848515 0.86061332600136 0.11130777844402 137.327 > 7 9 Ba 0.49198781151484 0.36061332600136 0.11130777844402 137.327 > 9 10 Ba 0.99198781151485 0.36061332600136 0.11130777844402 137.327 > 9 11 Ba 0.24198781151484 0.36061332600136 0.38869222155598 137.327 > 11 12 Ba 0.74198781151485 0.36061332600136 0.38869222155598 137.327 > 11 13 Ba 0.24198781151484 0.13938667399864 0.88869222155598 137.327 > 13 14 Ba 0.74198781151485 0.13938667399864 0.88869222155598 137.327 > 13 15 Ba 0.00801218848515 0.86061332600136 0.38869222155598 137.327 > 15 16 Ba 0.50801218848515 0.86061332600136 0.38869222155598 137.327 > 15 17 Nb 0.35539799093448 0.89382121767150 0.74351945337805 92.906 > 17 18 Nb 0.85539799093448 0.89382121767150 0.74351945337805 92.906 > 17 19 Nb 0.35539799093448 0.60617878232850 0.24351945337805 92.906 > 19 20 Nb 0.85539799093448 0.60617878232850 0.24351945337805 92.906 > 19 21 Nb 0.14460200906552 0.10617878232850 0.25648054662195 92.906 > 21 22 Nb 0.64460200906552 0.10617878232850 0.25648054662195 92.906 > 21 23 Nb 0.39460200906552 0.10617878232850 0.24351945337805 92.906 > 23 24 Nb 0.89460200906552 0.10617878232850 0.24351945337805 92.906 > 23 25 Nb 0.39460200906552 0.39382121767150 0.74351945337805 92.906 > 25 26 Nb 0.89460200906552 0.39382121767150 0.74351945337805 92.906 > 25 27 Nb 0.10539799093448 0.89382121767150 0.75648054662195 92.906 > 27 28 Nb 0.60539799093448 0.89382121767150 0.75648054662195 92.906 > 27 29 Nb 0.14460200906552 0.39382121767150 0.75648054662195 92.906 > 29 30 Nb 0.64460200906552 0.39382121767150 0.75648054662195 92.906 > 29 31 Nb 0.10539799093448 0.60617878232850 0.25648054662195 92.906 > 31 32 Nb 0.60539799093448 0.60617878232850 0.25648054662195 92.906 > 31 33 Te 0.25000000000000 0.50000000000000 0.00000000000000 127.600 > 33 34 Te 0.75000000000000 0.50000000000000 0.00000000000000 127.600 > 33 35 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 35 36 Te 0.50000000000000 0.00000000000000 0.00000000000000 127.600 > 35 37 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 > 37 38 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 > 37 39 Te 0.25000000000000 0.00000000000000 0.50000000000000 127.600 > 39 40 Te 0.75000000000000 0.00000000000000 0.50000000000000 127.600 > 39 41 O 0.38904281957019 0.24556514888127 0.29510310928896 15.999 > 41 42 O 0.88904281957019 0.24556514888127 0.29510310928896 15.999 > 41 43 O 0.47343330593021 0.58406655014684 0.16498629102684 15.999 > 43 44 O 0.97343330593021 0.58406655014684 0.16498629102684 15.999 > 43 45 O 0.11667865291438 0.48678723773913 0.59529154277750 15.999 > 45 46 O 0.61667865291438 0.48678723773913 0.59529154277750 15.999 > 45 47 O 0.13904281957019 0.25443485111873 0.70489689071104 15.999 > 47 48 O 0.63904281957019 0.25443485111873 0.70489689071104 15.999 > 47 49 O 0.36667865291438 0.01321276226087 0.40470845722250 15.999 > 49 50 O 0.86667865291438 0.01321276226087 0.40470845722250 15.999 > 49 51 O 0.36095718042981 0.74556514888127 0.29510310928896 15.999 > 51 52 O 0.86095718042981 0.74556514888127 0.29510310928896 15.999 > 51 53 O 0.43847553477190 0.94531321047861 0.15476373731191 15.999 > 53 54 O 0.93847553477190 0.94531321047861 0.15476373731191 15.999 > 53 55 O 0.27656669406979 0.08406655014684 0.16498629102684 15.999 > 55 56 O 0.77656669406979 0.08406655014684 0.16498629102684 15.999 > 55 57 O 0.31152446522810 0.05468678952139 0.65476373731191 15.999 > 57 58 O 0.81152446522810 0.05468678952139 0.65476373731191 15.999 > 57 59 O 0.38904281957019 0.25443485111873 0.79510310928896 15.999 > 59 60 O 0.88904281957019 0.25443485111873 0.79510310928896 15.999 > 59 61 O 0.18847553477190 0.94531321047861 0.34523626268809 15.999 > 61 62 O 0.68847553477190 0.94531321047861 0.34523626268809 15.999 > 61 63 O 0.31152446522810 0.44531321047861 0.15476373731191 15.999 > 63 64 O 0.81152446522810 0.44531321047861 0.15476373731191 15.999 > 63 65 O 0.11667865291438 0.01321276226087 0.09529154277750 15.999 > 65 66 O 0.61667865291438 0.01321276226087 0.09529154277750 15.999 > 65 67 O 0.38332134708562 0.98678723773913 0.90470845722250 15.999 > 67 68 O 0.88332134708562 0.98678723773913 0.90470845722250 15.999 > 67 69 O 0.13904281957019 0.24556514888127 0.20489689071104 15.999 > 69 70 O 0.63904281957019 0.24556514888127 0.20489689071104 15.999 > 69 71 O 0.46169131263534 0.35994144287893 0.56919508852395 15.999 > 71 72 O 0.96169131263534 0.35994144287893 0.56919508852395 15.999 > 71 73 O 0.43847553477190 0.55468678952139 0.65476373731191 15.999 > 73 74 O 0.93847553477190 0.55468678952139 0.65476373731191 15.999 > 73 75 O 0.28830868736466 0.85994144287893 0.56919508852395 15.999 > 75 76 O 0.78830868736466 0.85994144287893 0.56919508852395 15.999 > 75 77 O 0.46169131263534 0.14005855712107 0.06919508852395 15.999 > 77 78 O 0.96169131263534 0.14005855712107 0.06919508852395 15.999 > 77 79 O 0.06152446522810 0.44531321047861 0.34523626268809 15.999 > 79 80 O 0.56152446522810 0.44531321047861 0.34523626268809 15.999 > 79 81 O 0.28830868736466 0.64005855712107 0.06919508852395 15.999 > 81 82 O 0.78830868736466 0.64005855712107 0.06919508852395 15.999 > 81 83 O 0.11095718042981 0.74556514888127 0.20489689071104 15.999 > 83 84 O 0.61095718042981 0.74556514888127 0.20489689071104 15.999 > 83 85 O 0.06152446522810 0.05468678952139 0.84523626268809 15.999 > 85 86 O 0.56152446522810 0.05468678952139 0.84523626268809 15.999 > 85 87 O 0.47343330593021 0.91593344985316 0.66498629102684 15.999 > 87 88 O 0.97343330593021 0.91593344985316 0.66498629102684 15.999 > 87 89 O 0.11095718042981 0.75443485111873 0.70489689071104 15.999 > 89 90 O 0.61095718042981 0.75443485111873 0.70489689071104 15.999 > 89 91 O 0.21169131263534 0.14005855712107 0.43080491147605 15.999 > 91 92 O 0.71169131263534 0.14005855712107 0.43080491147605 15.999 > 91 93 O 0.13332134708562 0.98678723773913 0.59529154277750 15.999 > 93 94 O 0.63332134708562 0.98678723773913 0.59529154277750 15.999 > 93 95 O 0.36667865291438 0.48678723773913 0.90470845722250 15.999 > 95 96 O 0.86667865291438 0.48678723773913 0.90470845722250 15.999 > 95 97 O 0.13332134708562 0.51321276226087 0.09529154277750 15.999 > 97 98 O 0.63332134708562 0.51321276226087 0.09529154277750 15.999 > 97 99 O 0.03830868736466 0.64005855712107 0.43080491147605 15.999 > 99 100 O 0.53830868736466 0.64005855712107 0.43080491147605 15.999 > 99 101 O 0.02656669406979 0.08406655014684 0.33501370897316 15.999 > 101 102 O 0.52656669406979 0.08406655014684 0.33501370897316 15.999 > 101 103 O 0.02656669406979 0.41593344985316 0.83501370897316 15.999 > 103 104 O 0.52656669406979 0.41593344985316 0.83501370897316 15.999 > 103 105 O 0.21169131263534 0.35994144287893 0.93080491147605 15.999 > 105 106 O 0.71169131263534 0.35994144287893 0.93080491147605 15.999 > 105 107 O 0.22343330593021 0.91593344985316 0.83501370897316 15.999 > 107 108 O 0.72343330593021 0.91593344985316 0.83501370897316 15.999 > 107 109 O 0.27656669406979 0.41593344985316 0.66498629102684 15.999 > 109 110 O 0.77656669406979 0.41593344985316 0.66498629102684 15.999 > 109 111 O 0.22343330593021 0.58406655014684 0.33501370897316 15.999 > 111 112 O 0.72343330593021 0.58406655014684 0.33501370897316 15.999 > 111 113 O 0.18847553477190 0.55468678952139 0.84523626268809 15.999 > 113 114 O 0.68847553477190 0.55468678952139 0.84523626268809 15.999 > 113 115 O 0.36095718042981 0.75443485111873 0.79510310928896 15.999 > 115 116 O 0.86095718042981 0.75443485111873 0.79510310928896 15.999 > 115 117 O 0.03830868736466 0.85994144287893 0.93080491147605 15.999 > 117 118 O 0.53830868736466 0.85994144287893 0.93080491147605 15.999 > 117 119 O 0.38332134708562 0.51321276226087 0.40470845722250 15.999 > 119 120 O 0.88332134708562 0.51321276226087 0.40470845722250 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6241037 0.0000000 0.0000000 0.0000000 3.9276651 0.0000000 0.0000000 0.0000000 4.1173346 -------------------------- Born effective charges -------------------------- 1 Ba 2.6530247 -0.0443527 -0.0705434 0.0297343 3.3300585 0.3811477 0.3024358 0.0827458 2.6843157 2 Ba 2.6530247 0.0443527 0.0705434 -0.0297343 3.3300585 0.3811477 -0.3024358 0.0827458 2.6843157 3 Ba 2.6530247 0.0443527 -0.0705434 -0.0297343 3.3300585 -0.3811477 0.3024358 -0.0827458 2.6843157 4 Ba 2.6530247 -0.0443527 0.0705434 0.0297343 3.3300585 -0.3811477 -0.3024358 -0.0827458 2.6843157 5 Ba 2.6530247 0.0443527 -0.0705434 -0.0297343 3.3300585 -0.3811477 0.3024358 -0.0827458 2.6843157 6 Ba 2.6530247 0.0443527 0.0705434 -0.0297343 3.3300585 0.3811477 -0.3024358 0.0827458 2.6843157 7 Ba 2.6530247 -0.0443527 0.0705434 0.0297343 3.3300585 -0.3811477 -0.3024358 -0.0827458 2.6843157 8 Ba 2.6530247 -0.0443527 -0.0705434 0.0297343 3.3300585 0.3811477 0.3024358 0.0827458 2.6843157 9 Nb 6.9477090 0.5156748 -0.3194886 0.3764007 4.3592710 -0.2259016 0.3441173 0.1653170 4.6696889 10 Nb 6.9477090 -0.5156748 -0.3194886 -0.3764007 4.3592710 0.2259016 0.3441173 -0.1653170 4.6696889 11 Nb 6.9477090 0.5156748 -0.3194886 0.3764007 4.3592710 -0.2259016 0.3441173 0.1653170 4.6696889 12 Nb 6.9477090 0.5156748 0.3194886 0.3764007 4.3592710 0.2259016 -0.3441173 -0.1653170 4.6696889 13 Nb 6.9477090 -0.5156748 0.3194886 -0.3764007 4.3592710 -0.2259016 -0.3441173 0.1653170 4.6696889 14 Nb 6.9477090 0.5156748 0.3194886 0.3764007 4.3592710 0.2259016 -0.3441173 -0.1653170 4.6696889 15 Nb 6.9477090 -0.5156748 -0.3194886 -0.3764007 4.3592710 0.2259016 0.3441173 -0.1653170 4.6696889 16 Nb 6.9477090 -0.5156748 0.3194886 -0.3764007 4.3592710 -0.2259016 -0.3441173 0.1653170 4.6696889 17 Te 5.7612167 1.0161350 0.1223023 -0.3750970 3.6467733 0.9704791 -0.8984617 1.8693320 6.4613363 18 Te 5.7612167 -1.0161350 -0.1223023 0.3750970 3.6467733 0.9704791 0.8984617 1.8693320 6.4613363 19 Te 5.7612167 1.0161350 -0.1223023 -0.3750970 3.6467733 -0.9704791 0.8984617 -1.8693320 6.4613363 20 Te 5.7612167 -1.0161350 0.1223023 0.3750970 3.6467733 -0.9704791 -0.8984617 -1.8693320 6.4613363 21 O -1.3262341 0.0969084 0.2237211 0.1032353 -3.2050532 -0.4728776 0.2152725 -0.4659395 -1.1512362 22 O -4.9513026 0.2757171 0.3956046 0.3648210 -1.0838405 -0.1470054 0.1154300 -0.1514643 -1.7975697 23 O -2.4159645 0.2597849 -0.8782103 0.2695483 -1.5287702 0.8102873 -0.8869671 1.0465908 -2.8609466 24 O -1.3262341 -0.0969084 -0.2237211 -0.1032353 -3.2050532 -0.4728776 -0.2152725 -0.4659395 -1.1512362 25 O -2.4159645 -0.2597849 0.8782103 -0.2695483 -1.5287702 0.8102873 0.8869671 1.0465908 -2.8609466 26 O -1.3262341 -0.0969084 -0.2237211 -0.1032353 -3.2050532 -0.4728776 -0.2152725 -0.4659395 -1.1512362 27 O -1.8664496 0.1581535 0.1892748 -0.0802979 -1.9228869 -0.0816222 0.1597648 -0.2981927 -2.2295174 28 O -4.9513026 -0.2757171 -0.3956046 -0.3648210 -1.0838405 -0.1470054 -0.1154300 -0.1514643 -1.7975697 29 O -1.8664496 0.1581535 -0.1892748 -0.0802979 -1.9228869 0.0816222 -0.1597648 0.2981927 -2.2295174 30 O -1.3262341 -0.0969084 0.2237211 -0.1032353 -3.2050532 0.4728776 0.2152725 0.4659395 -1.1512362 31 O -1.8664496 0.1581535 -0.1892748 -0.0802979 -1.9228869 0.0816222 -0.1597648 0.2981927 -2.2295174 32 O -1.8664496 -0.1581535 -0.1892748 0.0802979 -1.9228869 -0.0816222 -0.1597648 -0.2981927 -2.2295174 33 O -2.4159645 -0.2597849 -0.8782103 -0.2695483 -1.5287702 -0.8102873 -0.8869671 -1.0465908 -2.8609466 34 O -2.4159645 -0.2597849 -0.8782103 -0.2695483 -1.5287702 -0.8102873 -0.8869671 -1.0465908 -2.8609466 35 O -1.3262341 0.0969084 -0.2237211 0.1032353 -3.2050532 0.4728776 -0.2152725 0.4659395 -1.1512362 36 O -1.9213913 -0.2736433 0.8578671 -0.1366786 -1.7721654 0.2184696 0.6691254 0.3862069 -2.5454027 37 O -1.8664496 -0.1581535 0.1892748 0.0802979 -1.9228869 0.0816222 0.1597648 0.2981927 -2.2295174 38 O -1.9213913 0.2736433 -0.8578671 0.1366786 -1.7721654 0.2184696 -0.6691254 0.3862069 -2.5454027 39 O -1.9213913 0.2736433 0.8578671 0.1366786 -1.7721654 -0.2184696 0.6691254 -0.3862069 -2.5454027 40 O -1.8664496 -0.1581535 0.1892748 0.0802979 -1.9228869 0.0816222 0.1597648 0.2981927 -2.2295174 41 O -1.9213913 -0.2736433 -0.8578671 -0.1366786 -1.7721654 -0.2184696 -0.6691254 -0.3862069 -2.5454027 42 O -1.3262341 -0.0969084 0.2237211 -0.1032353 -3.2050532 0.4728776 0.2152725 0.4659395 -1.1512362 43 O -1.8664496 0.1581535 0.1892748 -0.0802979 -1.9228869 -0.0816222 0.1597648 -0.2981927 -2.2295174 44 O -4.9513026 -0.2757171 0.3956046 -0.3648210 -1.0838405 0.1470054 0.1154300 0.1514643 -1.7975697 45 O -1.3262341 0.0969084 0.2237211 0.1032353 -3.2050532 -0.4728776 0.2152725 -0.4659395 -1.1512362 46 O -1.9213913 0.2736433 -0.8578671 0.1366786 -1.7721654 0.2184696 -0.6691254 0.3862069 -2.5454027 47 O -2.4159645 -0.2597849 0.8782103 -0.2695483 -1.5287702 0.8102873 0.8869671 1.0465908 -2.8609466 48 O -2.4159645 0.2597849 0.8782103 0.2695483 -1.5287702 -0.8102873 0.8869671 -1.0465908 -2.8609466 49 O -2.4159645 0.2597849 0.8782103 0.2695483 -1.5287702 -0.8102873 0.8869671 -1.0465908 -2.8609466 50 O -1.9213913 -0.2736433 0.8578671 -0.1366786 -1.7721654 0.2184696 0.6691254 0.3862069 -2.5454027 51 O -4.9513026 -0.2757171 0.3956046 -0.3648210 -1.0838405 0.1470054 0.1154300 0.1514643 -1.7975697 52 O -4.9513026 0.2757171 0.3956046 0.3648210 -1.0838405 -0.1470054 0.1154300 -0.1514643 -1.7975697 53 O -1.9213913 -0.2736433 -0.8578671 -0.1366786 -1.7721654 -0.2184696 -0.6691254 -0.3862069 -2.5454027 54 O -4.9513026 -0.2757171 -0.3956046 -0.3648210 -1.0838405 -0.1470054 -0.1154300 -0.1514643 -1.7975697 55 O -4.9513026 0.2757171 -0.3956046 0.3648210 -1.0838405 0.1470054 -0.1154300 0.1514643 -1.7975697 56 O -4.9513026 0.2757171 -0.3956046 0.3648210 -1.0838405 0.1470054 -0.1154300 0.1514643 -1.7975697 57 O -1.8664496 -0.1581535 -0.1892748 0.0802979 -1.9228869 -0.0816222 -0.1597648 -0.2981927 -2.2295174 58 O -1.3262341 0.0969084 -0.2237211 0.1032353 -3.2050532 0.4728776 -0.2152725 0.4659395 -1.1512362 59 O -1.9213913 0.2736433 0.8578671 0.1366786 -1.7721654 -0.2184696 0.6691254 -0.3862069 -2.5454027 60 O -2.4159645 0.2597849 -0.8782103 0.2695483 -1.5287702 0.8102873 -0.8869671 1.0465908 -2.8609466 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) 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 ... [ 7 4 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.43, Number of G-points: 293, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/36) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.239 ( 0.000 0.000 0.000) 0.000 1.751 ( 0.000 0.000 0.000) 0.000 1.838 ( 0.000 0.000 0.000) 0.000 1.955 ( 0.000 0.000 0.000) 0.000 2.043 ( 0.000 0.000 0.000) 0.000 2.084 ( 0.000 0.000 0.000) 0.000 2.105 ( 0.000 0.000 0.000) 0.000 2.197 ( 0.000 0.000 0.000) 0.000 2.201 ( 0.000 0.000 0.000) 0.000 2.226 ( 0.000 0.000 0.000) 0.000 2.296 ( 0.000 0.000 0.000) 0.000 2.321 ( 0.000 0.000 0.000) 0.000 2.337 ( 0.000 0.000 0.000) 0.000 2.381 ( 0.000 0.000 0.000) 0.000 2.430 ( 0.000 0.000 0.000) 0.000 2.576 ( 0.000 0.000 0.000) 0.000 2.610 ( 0.000 0.000 0.000) 0.000 2.688 ( 0.000 0.000 0.000) 0.000 2.751 ( 0.000 0.000 0.000) 0.000 2.791 ( 0.000 0.000 0.000) 0.000 2.847 ( 0.000 0.000 0.000) 0.000 2.887 ( 0.000 0.000 0.000) 0.000 2.942 ( 0.000 0.000 0.000) 0.000 2.963 ( 0.000 0.000 0.000) 0.000 2.985 ( 0.000 0.000 0.000) 0.000 3.007 ( 0.000 0.000 0.000) 0.000 3.015 ( 0.000 0.000 0.000) 0.000 3.146 ( 0.000 0.000 0.000) 0.000 3.247 ( 0.000 0.000 0.000) 0.000 3.288 ( 0.000 0.000 0.000) 0.000 3.450 ( 0.000 0.000 0.000) 0.000 3.535 ( 0.000 0.000 0.000) 0.000 3.711 ( 0.000 0.000 0.000) 0.000 3.737 ( 0.000 0.000 0.000) 0.000 3.882 ( 0.000 0.000 0.000) 0.000 3.940 ( 0.000 0.000 0.000) 0.000 3.969 ( 0.000 0.000 0.000) 0.000 4.072 ( 0.000 0.000 0.000) 0.000 4.114 ( 0.000 0.000 0.000) 0.000 4.149 ( 0.000 0.000 0.000) 0.000 4.224 ( 0.000 0.000 0.000) 0.000 4.338 ( 0.000 0.000 0.000) 0.000 4.379 ( 0.000 0.000 0.000) 0.000 4.396 ( 0.000 0.000 0.000) 0.000 4.542 ( 0.000 0.000 0.000) 0.000 4.883 ( 0.000 0.000 0.000) 0.000 5.073 ( 0.000 0.000 0.000) 0.000 5.194 ( 0.000 0.000 0.000) 0.000 5.288 ( 0.000 0.000 0.000) 0.000 5.370 ( 0.000 0.000 0.000) 0.000 5.437 ( 0.000 0.000 0.000) 0.000 5.499 ( 0.000 0.000 0.000) 0.000 5.547 ( 0.000 0.000 0.000) 0.000 5.616 ( 0.000 0.000 0.000) 0.000 5.662 ( 0.000 0.000 0.000) 0.000 5.707 ( 0.000 0.000 0.000) 0.000 5.766 ( 0.000 0.000 0.000) 0.000 5.798 ( 0.000 0.000 0.000) 0.000 5.806 ( 0.000 0.000 0.000) 0.000 6.165 ( 0.000 0.000 0.000) 0.000 6.229 ( 0.000 0.000 0.000) 0.000 6.302 ( 0.000 0.000 0.000) 0.000 6.468 ( 0.000 0.000 0.000) 0.000 6.649 ( 0.000 0.000 0.000) 0.000 6.659 ( 0.000 0.000 0.000) 0.000 6.689 ( 0.000 0.000 0.000) 0.000 6.779 ( 0.000 0.000 0.000) 0.000 6.813 ( 0.000 0.000 0.000) 0.000 6.905 ( 0.000 0.000 0.000) 0.000 7.086 ( 0.000 0.000 0.000) 0.000 7.105 ( 0.000 0.000 0.000) 0.000 7.217 ( 0.000 0.000 0.000) 0.000 7.450 ( 0.000 0.000 0.000) 0.000 7.537 ( 0.000 0.000 0.000) 0.000 7.553 ( 0.000 0.000 0.000) 0.000 7.861 ( 0.000 0.000 0.000) 0.000 7.925 ( 0.000 0.000 0.000) 0.000 7.976 ( 0.000 0.000 0.000) 0.000 8.007 ( 0.000 0.000 0.000) 0.000 8.090 ( 0.000 0.000 0.000) 0.000 8.277 ( 0.000 0.000 0.000) 0.000 8.409 ( 0.000 0.000 0.000) 0.000 8.472 ( 0.000 0.000 0.000) 0.000 8.542 ( 0.000 0.000 0.000) 0.000 8.738 ( 0.000 0.000 0.000) 0.000 8.915 ( 0.000 0.000 0.000) 0.000 8.980 ( 0.000 0.000 0.000) 0.000 9.004 ( 0.000 0.000 0.000) 0.000 9.051 ( 0.000 0.000 0.000) 0.000 9.258 ( 0.000 0.000 0.000) 0.000 9.288 ( 0.000 0.000 0.000) 0.000 9.404 ( 0.000 0.000 0.000) 0.000 9.491 ( 0.000 0.000 0.000) 0.000 9.501 ( 0.000 0.000 0.000) 0.000 9.555 ( 0.000 0.000 0.000) 0.000 9.998 ( 0.000 0.000 0.000) 0.000 10.041 ( 0.000 0.000 0.000) 0.000 10.054 ( 0.000 0.000 0.000) 0.000 10.085 ( 0.000 0.000 0.000) 0.000 10.195 ( 0.000 0.000 0.000) 0.000 10.300 ( 0.000 0.000 0.000) 0.000 10.454 ( 0.000 0.000 0.000) 0.000 10.635 ( 0.000 0.000 0.000) 0.000 10.765 ( 0.000 0.000 0.000) 0.000 10.823 ( 0.000 0.000 0.000) 0.000 10.884 ( 0.000 0.000 0.000) 0.000 10.910 ( 0.000 0.000 0.000) 0.000 11.303 ( 0.000 0.000 0.000) 0.000 11.415 ( 0.000 0.000 0.000) 0.000 11.427 ( 0.000 0.000 0.000) 0.000 11.582 ( 0.000 0.000 0.000) 0.000 11.616 ( 0.000 0.000 0.000) 0.000 11.621 ( 0.000 0.000 0.000) 0.000 11.623 ( 0.000 0.000 0.000) 0.000 11.630 ( 0.000 0.000 0.000) 0.000 11.779 ( 0.000 0.000 0.000) 0.000 12.072 ( 0.000 0.000 0.000) 0.000 12.761 ( 0.000 0.000 0.000) 0.000 12.844 ( 0.000 0.000 0.000) 0.000 12.881 ( 0.000 0.000 0.000) 0.000 13.038 ( 0.000 0.000 0.000) 0.000 13.646 ( 0.000 0.000 0.000) 0.000 13.669 ( 0.000 0.000 0.000) 0.000 13.809 ( 0.000 0.000 0.000) 0.000 13.853 ( 0.000 0.000 0.000) 0.000 13.948 ( 0.000 0.000 0.000) 0.000 14.098 ( 0.000 0.000 0.000) 0.000 14.130 ( 0.000 0.000 0.000) 0.000 14.222 ( 0.000 0.000 0.000) 0.000 15.013 ( 0.000 0.000 0.000) 0.000 15.069 ( 0.000 0.000 0.000) 0.000 16.117 ( 0.000 0.000 0.000) 0.000 16.218 ( 0.000 0.000 0.000) 0.000 16.318 ( 0.000 0.000 0.000) 0.000 16.406 ( 0.000 0.000 0.000) 0.000 16.462 ( 0.000 0.000 0.000) 0.000 16.532 ( 0.000 0.000 0.000) 0.000 16.606 ( 0.000 0.000 0.000) 0.000 16.662 ( 0.000 0.000 0.000) 0.000 16.898 ( 0.000 0.000 0.000) 0.000 17.134 ( 0.000 0.000 0.000) 0.000 17.428 ( 0.000 0.000 0.000) 0.000 17.639 ( 0.000 0.000 0.000) 0.000 17.681 ( 0.000 0.000 0.000) 0.000 17.690 ( 0.000 0.000 0.000) 0.000 18.088 ( 0.000 0.000 0.000) 0.000 18.168 ( 0.000 0.000 0.000) 0.000 18.354 ( 0.000 0.000 0.000) 0.000 18.364 ( 0.000 0.000 0.000) 0.000 18.425 ( 0.000 0.000 0.000) 0.000 18.434 ( 0.000 0.000 0.000) 0.000 18.451 ( 0.000 0.000 0.000) 0.000 18.474 ( 0.000 0.000 0.000) 0.000 18.528 ( 0.000 0.000 0.000) 0.000 19.057 ( 0.000 0.000 0.000) 0.000 20.063 ( 0.000 0.000 0.000) 0.000 20.159 ( 0.000 0.000 0.000) 0.000 20.183 ( 0.000 0.000 0.000) 0.000 20.204 ( 0.000 0.000 0.000) 0.000 20.911 ( 0.000 0.000 0.000) 0.000 21.146 ( 0.000 0.000 0.000) 0.000 21.175 ( 0.000 0.000 0.000) 0.000 21.343 ( 0.000 0.000 0.000) 0.000 21.604 ( 0.000 0.000 0.000) 0.000 21.701 ( 0.000 0.000 0.000) 0.000 22.501 ( 0.000 0.000 0.000) 0.000 22.625 ( 0.000 0.000 0.000) 0.000 22.636 ( 0.000 0.000 0.000) 0.000 22.839 ( 0.000 0.000 0.000) 0.000 24.540 ( 0.000 0.000 0.000) 0.000 24.656 ( 0.000 0.000 0.000) 0.000 25.010 ( 0.000 0.000 0.000) 0.000 25.101 ( 0.000 0.000 0.000) 0.000 25.127 ( 0.000 0.000 0.000) 0.000 25.182 ( 0.000 0.000 0.000) 0.000 25.383 ( 0.000 0.000 0.000) 0.000 25.975 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/36) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 27.231 0.000 0.000) 27.231 0.631 ( 30.976 0.000 0.000) 30.976 1.007 ( 47.182 0.000 0.000) 47.182 1.336 ( 8.816 0.000 0.000) 8.816 1.872 ( 4.610 0.000 0.000) 4.610 1.923 ( -3.596 0.000 0.000) 3.596 1.949 ( 10.100 0.000 0.000) 10.100 2.084 ( -1.549 0.000 0.000) 1.549 2.095 ( 0.231 0.000 0.000) 0.231 2.132 ( 7.767 0.000 0.000) 7.767 2.178 ( -0.679 0.000 0.000) 0.679 2.203 ( -2.789 0.000 0.000) 2.789 2.221 ( 2.196 0.000 0.000) 2.196 2.251 ( -2.641 0.000 0.000) 2.641 2.355 ( 1.965 0.000 0.000) 1.965 2.376 ( 9.365 0.000 0.000) 9.365 2.415 ( 1.989 0.000 0.000) 1.989 2.446 ( 3.699 0.000 0.000) 3.699 2.503 ( -6.030 0.000 0.000) 6.030 2.578 ( -6.948 0.000 0.000) 6.948 2.675 ( -5.664 0.000 0.000) 5.664 2.684 ( 0.523 0.000 0.000) 0.523 2.819 ( 1.881 0.000 0.000) 1.881 2.827 ( -5.143 0.000 0.000) 5.143 2.902 ( -1.788 0.000 0.000) 1.788 2.982 ( 2.019 0.000 0.000) 2.019 2.998 ( 7.038 0.000 0.000) 7.038 3.071 ( 5.279 0.000 0.000) 5.279 3.167 ( 1.642 0.000 0.000) 1.642 3.168 ( 1.896 0.000 0.000) 1.896 3.185 ( 2.960 0.000 0.000) 2.960 3.310 ( 5.831 0.000 0.000) 5.831 3.329 ( 18.830 0.000 0.000) 18.830 3.491 ( 5.606 0.000 0.000) 5.606 3.512 ( -3.616 0.000 0.000) 3.616 3.613 ( -17.626 0.000 0.000) 17.626 3.731 ( -19.801 0.000 0.000) 19.801 3.752 ( -2.076 0.000 0.000) 2.076 3.799 ( 3.467 0.000 0.000) 3.467 3.861 ( -1.432 0.000 0.000) 1.432 4.053 ( -9.323 0.000 0.000) 9.323 4.125 ( 0.119 0.000 0.000) 0.119 4.195 ( 4.440 0.000 0.000) 4.440 4.236 ( 5.351 0.000 0.000) 5.351 4.373 ( 7.914 0.000 0.000) 7.914 4.401 ( 3.399 0.000 0.000) 3.399 4.602 ( 4.812 0.000 0.000) 4.812 4.658 ( 13.618 0.000 0.000) 13.618 4.890 ( 0.501 0.000 0.000) 0.501 5.126 ( -6.535 0.000 0.000) 6.535 5.232 ( -5.116 0.000 0.000) 5.116 5.432 ( -1.929 0.000 0.000) 1.929 5.446 ( -1.268 0.000 0.000) 1.268 5.500 ( -2.518 0.000 0.000) 2.518 5.591 ( 14.352 0.000 0.000) 14.352 5.644 ( -5.605 0.000 0.000) 5.605 5.666 ( 1.759 0.000 0.000) 1.759 5.695 ( 2.106 0.000 0.000) 2.106 5.703 ( -3.150 0.000 0.000) 3.150 5.742 ( -2.126 0.000 0.000) 2.126 5.882 ( 4.055 0.000 0.000) 4.055 5.885 ( 8.612 0.000 0.000) 8.612 6.249 ( 8.259 0.000 0.000) 8.259 6.306 ( 7.116 0.000 0.000) 7.116 6.322 ( -0.183 0.000 0.000) 0.183 6.441 ( -5.194 0.000 0.000) 5.194 6.621 ( -2.979 0.000 0.000) 2.979 6.647 ( -5.066 0.000 0.000) 5.066 6.691 ( 1.560 0.000 0.000) 1.560 6.753 ( 6.158 0.000 0.000) 6.158 6.772 ( -0.432 0.000 0.000) 0.432 7.019 ( 0.264 0.000 0.000) 0.264 7.145 ( 11.982 0.000 0.000) 11.982 7.187 ( -2.981 0.000 0.000) 2.981 7.343 ( 9.521 0.000 0.000) 9.521 7.402 ( -4.405 0.000 0.000) 4.405 7.536 ( -2.722 0.000 0.000) 2.722 7.798 ( -8.278 0.000 0.000) 8.278 7.869 ( 0.592 0.000 0.000) 0.592 7.920 ( -0.731 0.000 0.000) 0.731 8.012 ( 6.507 0.000 0.000) 6.507 8.136 ( 1.485 0.000 0.000) 1.485 8.379 ( 8.713 0.000 0.000) 8.713 8.379 ( -2.931 0.000 0.000) 2.931 8.392 ( 9.398 0.000 0.000) 9.398 8.465 ( -0.619 0.000 0.000) 0.619 8.524 ( 3.042 0.000 0.000) 3.042 8.587 ( -9.501 0.000 0.000) 9.501 8.973 ( -2.943 0.000 0.000) 2.943 8.986 ( -6.722 0.000 0.000) 6.722 9.008 ( 6.483 0.000 0.000) 6.483 9.112 ( 8.597 0.000 0.000) 8.597 9.372 ( -2.636 0.000 0.000) 2.636 9.452 ( 13.377 0.000 0.000) 13.377 9.464 ( -2.942 0.000 0.000) 2.942 9.513 ( -3.212 0.000 0.000) 3.212 9.517 ( 0.574 0.000 0.000) 0.574 9.983 ( -1.531 0.000 0.000) 1.531 10.003 ( -2.168 0.000 0.000) 2.168 10.024 ( 0.250 0.000 0.000) 0.250 10.040 ( -1.615 0.000 0.000) 1.615 10.111 ( 0.419 0.000 0.000) 0.419 10.183 ( -1.243 0.000 0.000) 1.243 10.292 ( -0.850 0.000 0.000) 0.850 10.562 ( -5.566 0.000 0.000) 5.566 10.662 ( -4.640 0.000 0.000) 4.640 10.757 ( -0.656 0.000 0.000) 0.656 10.795 ( -2.753 0.000 0.000) 2.753 10.849 ( -4.959 0.000 0.000) 4.959 10.870 ( -1.560 0.000 0.000) 1.560 11.322 ( 2.316 0.000 0.000) 2.316 11.402 ( -0.265 0.000 0.000) 0.265 11.469 ( -10.520 0.000 0.000) 10.520 11.469 ( -9.713 0.000 0.000) 9.713 11.518 ( 7.433 0.000 0.000) 7.433 11.611 ( -1.056 0.000 0.000) 1.056 11.736 ( 4.634 0.000 0.000) 4.634 11.740 ( 5.067 0.000 0.000) 5.067 11.786 ( 0.790 0.000 0.000) 0.790 11.986 ( -8.123 0.000 0.000) 8.123 12.676 ( -8.275 0.000 0.000) 8.275 12.772 ( -7.466 0.000 0.000) 7.466 12.777 ( -9.657 0.000 0.000) 9.657 12.969 ( -17.911 0.000 0.000) 17.911 13.593 ( -2.602 0.000 0.000) 2.602 13.607 ( -3.009 0.000 0.000) 3.009 13.863 ( 3.031 0.000 0.000) 3.031 13.875 ( 4.752 0.000 0.000) 4.752 14.131 ( 12.615 0.000 0.000) 12.615 14.248 ( 9.362 0.000 0.000) 9.362 14.272 ( 14.116 0.000 0.000) 14.116 15.109 ( 4.641 0.000 0.000) 4.641 15.287 ( 19.818 0.000 0.000) 19.818 15.592 ( 11.705 0.000 0.000) 11.705 16.249 ( 2.380 0.000 0.000) 2.380 16.298 ( -1.944 0.000 0.000) 1.944 16.315 ( -0.598 0.000 0.000) 0.598 16.393 ( -1.236 0.000 0.000) 1.236 16.434 ( -2.635 0.000 0.000) 2.635 16.496 ( -3.575 0.000 0.000) 3.575 16.664 ( 6.458 0.000 0.000) 6.458 16.791 ( 12.571 0.000 0.000) 12.571 17.189 ( 6.900 0.000 0.000) 6.900 17.406 ( -2.050 0.000 0.000) 2.050 17.623 ( -2.065 0.000 0.000) 2.065 17.671 ( -0.554 0.000 0.000) 0.554 17.689 ( -0.185 0.000 0.000) 0.185 17.962 ( -9.550 0.000 0.000) 9.550 18.008 ( -9.748 0.000 0.000) 9.748 18.233 ( 0.989 0.000 0.000) 0.989 18.313 ( -3.683 0.000 0.000) 3.683 18.350 ( -4.687 0.000 0.000) 4.687 18.439 ( 1.007 0.000 0.000) 1.007 18.460 ( 1.306 0.000 0.000) 1.306 18.497 ( 1.741 0.000 0.000) 1.741 18.508 ( -1.938 0.000 0.000) 1.938 19.180 ( 16.158 0.000 0.000) 16.158 19.801 ( 5.351 0.000 0.000) 5.351 20.185 ( 0.427 0.000 0.000) 0.427 20.186 ( 10.051 0.000 0.000) 10.051 20.189 ( -1.350 0.000 0.000) 1.350 20.661 ( 8.723 0.000 0.000) 8.723 21.171 ( -0.667 0.000 0.000) 0.667 21.188 ( 5.184 0.000 0.000) 5.184 21.337 ( -0.974 0.000 0.000) 0.974 21.620 ( 2.710 0.000 0.000) 2.710 21.746 ( 4.503 0.000 0.000) 4.503 22.461 ( -4.194 0.000 0.000) 4.194 22.615 ( -1.184 0.000 0.000) 1.184 22.622 ( -1.824 0.000 0.000) 1.824 22.669 ( 4.351 0.000 0.000) 4.351 22.849 ( 0.879 0.000 0.000) 0.879 24.569 ( 2.863 0.000 0.000) 2.863 24.669 ( 1.355 0.000 0.000) 1.355 24.993 ( -1.751 0.000 0.000) 1.751 25.085 ( -1.564 0.000 0.000) 1.564 25.134 ( 0.579 0.000 0.000) 0.579 25.216 ( 3.008 0.000 0.000) 3.008 25.370 ( -4.134 0.000 0.000) 4.134 25.890 ( -8.100 0.000 0.000) 8.100 ======================= Grid point 2 (3/36) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 26.497 0.000 0.000) 26.497 1.186 ( 24.897 0.000 0.000) 24.897 1.535 ( 10.605 0.000 0.000) 10.605 1.718 ( 22.769 0.000 0.000) 22.769 1.842 ( -3.213 0.000 0.000) 3.213 1.945 ( 1.537 0.000 0.000) 1.537 2.004 ( -0.375 0.000 0.000) 0.375 2.040 ( -3.067 0.000 0.000) 3.067 2.065 ( -2.603 0.000 0.000) 2.603 2.115 ( -5.672 0.000 0.000) 5.672 2.211 ( -1.912 0.000 0.000) 1.912 2.223 ( -1.512 0.000 0.000) 1.512 2.223 ( 3.686 0.000 0.000) 3.686 2.245 ( 1.297 0.000 0.000) 1.297 2.346 ( -6.182 0.000 0.000) 6.182 2.438 ( 0.625 0.000 0.000) 0.625 2.453 ( -5.936 0.000 0.000) 5.936 2.492 ( 3.320 0.000 0.000) 3.320 2.536 ( 2.594 0.000 0.000) 2.594 2.558 ( -6.395 0.000 0.000) 6.395 2.641 ( -5.044 0.000 0.000) 5.044 2.714 ( 16.427 0.000 0.000) 16.427 2.761 ( 8.386 0.000 0.000) 8.386 2.856 ( 1.906 0.000 0.000) 1.906 2.904 ( 1.150 0.000 0.000) 1.150 3.036 ( 2.193 0.000 0.000) 2.193 3.086 ( -5.062 0.000 0.000) 5.062 3.121 ( 1.912 0.000 0.000) 1.912 3.152 ( 0.625 0.000 0.000) 0.625 3.161 ( 2.092 0.000 0.000) 2.092 3.166 ( -3.553 0.000 0.000) 3.553 3.379 ( -1.199 0.000 0.000) 1.199 3.403 ( 2.726 0.000 0.000) 2.726 3.437 ( -7.156 0.000 0.000) 7.156 3.445 ( -0.928 0.000 0.000) 0.928 3.621 ( -9.288 0.000 0.000) 9.288 3.772 ( 9.983 0.000 0.000) 9.983 3.785 ( 18.783 0.000 0.000) 18.783 3.901 ( 5.578 0.000 0.000) 5.578 3.913 ( 14.875 0.000 0.000) 14.875 3.944 ( -1.226 0.000 0.000) 1.226 4.034 ( -6.833 0.000 0.000) 6.833 4.367 ( 14.536 0.000 0.000) 14.536 4.453 ( 13.672 0.000 0.000) 13.672 4.466 ( 0.822 0.000 0.000) 0.822 4.473 ( 1.191 0.000 0.000) 1.191 4.713 ( 6.296 0.000 0.000) 6.296 4.848 ( 5.188 0.000 0.000) 5.188 4.902 ( 1.157 0.000 0.000) 1.157 4.973 ( -7.336 0.000 0.000) 7.336 5.130 ( -4.821 0.000 0.000) 4.821 5.320 ( -8.088 0.000 0.000) 8.088 5.433 ( -1.082 0.000 0.000) 1.082 5.515 ( -6.868 0.000 0.000) 6.868 5.516 ( 2.801 0.000 0.000) 2.801 5.620 ( -1.755 0.000 0.000) 1.755 5.649 ( -2.070 0.000 0.000) 2.070 5.683 ( -2.676 0.000 0.000) 2.676 5.685 ( -3.322 0.000 0.000) 3.322 5.817 ( 2.340 0.000 0.000) 2.340 5.965 ( 4.921 0.000 0.000) 4.921 6.027 ( 3.499 0.000 0.000) 3.499 6.223 ( -8.439 0.000 0.000) 8.439 6.279 ( -4.517 0.000 0.000) 4.517 6.451 ( 11.162 0.000 0.000) 11.162 6.613 ( 4.229 0.000 0.000) 4.229 6.622 ( 19.224 0.000 0.000) 19.224 6.647 ( 4.489 0.000 0.000) 4.489 6.763 ( 2.680 0.000 0.000) 2.680 6.780 ( 1.526 0.000 0.000) 1.526 6.906 ( 8.732 0.000 0.000) 8.732 7.036 ( -0.350 0.000 0.000) 0.350 7.106 ( -5.045 0.000 0.000) 5.045 7.300 ( -5.544 0.000 0.000) 5.544 7.316 ( 7.143 0.000 0.000) 7.143 7.340 ( -8.093 0.000 0.000) 8.093 7.429 ( -7.662 0.000 0.000) 7.662 7.724 ( -1.851 0.000 0.000) 1.851 7.870 ( -0.939 0.000 0.000) 0.939 7.887 ( -2.831 0.000 0.000) 2.831 8.232 ( 8.679 0.000 0.000) 8.679 8.259 ( 10.748 0.000 0.000) 10.748 8.301 ( -4.894 0.000 0.000) 4.894 8.374 ( -3.311 0.000 0.000) 3.311 8.444 ( 7.252 0.000 0.000) 7.252 8.452 ( -0.562 0.000 0.000) 0.562 8.704 ( 18.060 0.000 0.000) 18.060 8.756 ( 11.477 0.000 0.000) 11.477 8.793 ( -12.122 0.000 0.000) 12.122 8.905 ( -3.362 0.000 0.000) 3.362 9.123 ( 5.797 0.000 0.000) 5.797 9.243 ( 4.237 0.000 0.000) 4.237 9.304 ( -4.857 0.000 0.000) 4.857 9.391 ( -3.847 0.000 0.000) 3.847 9.460 ( -2.135 0.000 0.000) 2.135 9.493 ( -3.494 0.000 0.000) 3.494 9.680 ( 8.612 0.000 0.000) 8.612 9.963 ( -2.146 0.000 0.000) 2.146 9.968 ( 1.054 0.000 0.000) 1.054 9.985 ( -3.781 0.000 0.000) 3.781 10.038 ( 1.108 0.000 0.000) 1.108 10.069 ( -4.824 0.000 0.000) 4.824 10.146 ( -2.539 0.000 0.000) 2.539 10.267 ( -1.736 0.000 0.000) 1.736 10.494 ( -0.252 0.000 0.000) 0.252 10.572 ( -3.255 0.000 0.000) 3.255 10.724 ( -3.934 0.000 0.000) 3.934 10.742 ( -1.065 0.000 0.000) 1.065 10.768 ( -2.513 0.000 0.000) 2.513 10.822 ( -3.278 0.000 0.000) 3.278 11.183 ( -17.806 0.000 0.000) 17.806 11.227 ( -15.288 0.000 0.000) 15.288 11.397 ( 5.232 0.000 0.000) 5.232 11.427 ( 2.818 0.000 0.000) 2.818 11.595 ( -0.453 0.000 0.000) 0.453 11.669 ( 7.513 0.000 0.000) 7.513 11.784 ( -7.237 0.000 0.000) 7.237 11.810 ( 1.821 0.000 0.000) 1.821 11.828 ( 4.456 0.000 0.000) 4.456 11.846 ( 1.827 0.000 0.000) 1.827 12.472 ( -11.217 0.000 0.000) 11.217 12.563 ( -10.896 0.000 0.000) 10.896 12.569 ( -11.996 0.000 0.000) 11.996 12.607 ( -17.466 0.000 0.000) 17.466 13.607 ( 3.981 0.000 0.000) 3.981 13.608 ( 2.986 0.000 0.000) 2.986 13.883 ( -1.202 0.000 0.000) 1.202 13.934 ( -0.338 0.000 0.000) 0.338 14.373 ( 10.574 0.000 0.000) 10.574 14.421 ( 7.281 0.000 0.000) 7.281 14.561 ( 14.333 0.000 0.000) 14.333 15.106 ( -3.840 0.000 0.000) 3.840 15.705 ( 20.014 0.000 0.000) 20.014 15.872 ( 13.145 0.000 0.000) 13.145 16.246 ( -3.318 0.000 0.000) 3.318 16.285 ( 1.137 0.000 0.000) 1.137 16.301 ( -0.692 0.000 0.000) 0.692 16.360 ( -2.076 0.000 0.000) 2.076 16.370 ( -3.925 0.000 0.000) 3.925 16.400 ( -5.684 0.000 0.000) 5.684 16.870 ( 13.766 0.000 0.000) 13.766 17.044 ( 11.085 0.000 0.000) 11.085 17.354 ( -3.201 0.000 0.000) 3.201 17.467 ( 19.260 0.000 0.000) 19.260 17.551 ( -5.134 0.000 0.000) 5.134 17.669 ( 0.169 0.000 0.000) 0.169 17.680 ( -0.707 0.000 0.000) 0.707 17.781 ( -7.941 0.000 0.000) 7.941 17.864 ( -3.844 0.000 0.000) 3.844 18.238 ( -0.110 0.000 0.000) 0.110 18.249 ( -2.483 0.000 0.000) 2.483 18.253 ( -5.303 0.000 0.000) 5.303 18.393 ( -2.974 0.000 0.000) 2.974 18.460 ( -2.563 0.000 0.000) 2.563 18.469 ( -0.454 0.000 0.000) 0.454 18.502 ( -1.395 0.000 0.000) 1.395 19.712 ( 35.425 0.000 0.000) 35.425 19.928 ( 6.833 0.000 0.000) 6.833 20.159 ( -1.717 0.000 0.000) 1.717 20.207 ( 1.858 0.000 0.000) 1.858 20.351 ( 5.472 0.000 0.000) 5.472 20.837 ( 7.837 0.000 0.000) 7.837 21.138 ( -2.958 0.000 0.000) 2.958 21.281 ( -5.733 0.000 0.000) 5.733 21.392 ( 15.788 0.000 0.000) 15.788 21.766 ( 12.975 0.000 0.000) 12.975 21.872 ( 8.300 0.000 0.000) 8.300 22.326 ( -9.845 0.000 0.000) 9.845 22.544 ( -6.633 0.000 0.000) 6.633 22.564 ( -4.628 0.000 0.000) 4.628 22.764 ( 4.653 0.000 0.000) 4.653 22.865 ( 0.513 0.000 0.000) 0.513 24.646 ( 4.866 0.000 0.000) 4.866 24.715 ( 3.476 0.000 0.000) 3.476 24.940 ( -3.589 0.000 0.000) 3.589 25.033 ( -3.930 0.000 0.000) 3.930 25.143 ( 0.238 0.000 0.000) 0.238 25.272 ( -5.253 0.000 0.000) 5.253 25.286 ( 3.900 0.000 0.000) 3.900 25.695 ( -10.823 0.000 0.000) 10.823 ======================= Grid point 3 (4/36) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 22.244 0.000 0.000) 22.244 1.581 ( 14.845 0.000 0.000) 14.845 1.724 ( 7.500 0.000 0.000) 7.500 1.762 ( -4.526 0.000 0.000) 4.526 1.901 ( -4.768 0.000 0.000) 4.768 1.929 ( -9.526 0.000 0.000) 9.526 1.977 ( 1.091 0.000 0.000) 1.091 2.008 ( -4.221 0.000 0.000) 4.221 2.038 ( 3.801 0.000 0.000) 3.801 2.052 ( 6.151 0.000 0.000) 6.151 2.163 ( -3.565 0.000 0.000) 3.565 2.173 ( -9.386 0.000 0.000) 9.386 2.204 ( 0.311 0.000 0.000) 0.311 2.242 ( -2.912 0.000 0.000) 2.912 2.293 ( 4.116 0.000 0.000) 4.116 2.332 ( -4.618 0.000 0.000) 4.618 2.350 ( -4.066 0.000 0.000) 4.066 2.409 ( -7.070 0.000 0.000) 7.070 2.471 ( 1.875 0.000 0.000) 1.875 2.526 ( -2.593 0.000 0.000) 2.593 2.855 ( 10.498 0.000 0.000) 10.498 2.882 ( 2.571 0.000 0.000) 2.571 2.889 ( 3.225 0.000 0.000) 3.225 2.891 ( 1.222 0.000 0.000) 1.222 2.953 ( 5.066 0.000 0.000) 5.066 3.012 ( -2.543 0.000 0.000) 2.543 3.021 ( -1.161 0.000 0.000) 1.161 3.052 ( -3.807 0.000 0.000) 3.807 3.074 ( -0.818 0.000 0.000) 0.818 3.176 ( 3.002 0.000 0.000) 3.002 3.229 ( -1.270 0.000 0.000) 1.270 3.290 ( -14.946 0.000 0.000) 14.946 3.428 ( 2.807 0.000 0.000) 2.807 3.478 ( -2.218 0.000 0.000) 2.218 3.539 ( 12.410 0.000 0.000) 12.410 3.603 ( 13.640 0.000 0.000) 13.640 3.804 ( -6.895 0.000 0.000) 6.895 3.886 ( -8.731 0.000 0.000) 8.731 3.994 ( 4.932 0.000 0.000) 4.932 4.005 ( 8.373 0.000 0.000) 8.373 4.171 ( 14.539 0.000 0.000) 14.539 4.194 ( 11.253 0.000 0.000) 11.253 4.396 ( -7.823 0.000 0.000) 7.823 4.403 ( -8.369 0.000 0.000) 8.369 4.673 ( 12.741 0.000 0.000) 12.741 4.683 ( 9.645 0.000 0.000) 9.645 4.800 ( 0.214 0.000 0.000) 0.214 4.846 ( -5.343 0.000 0.000) 5.343 4.946 ( 6.196 0.000 0.000) 6.196 4.964 ( 5.308 0.000 0.000) 5.308 5.050 ( -3.297 0.000 0.000) 3.297 5.133 ( -10.634 0.000 0.000) 10.634 5.393 ( -2.465 0.000 0.000) 2.465 5.400 ( -4.017 0.000 0.000) 4.017 5.563 ( 1.292 0.000 0.000) 1.292 5.587 ( -1.456 0.000 0.000) 1.456 5.619 ( -2.349 0.000 0.000) 2.349 5.625 ( -2.365 0.000 0.000) 2.365 5.661 ( 3.986 0.000 0.000) 3.986 5.765 ( -5.407 0.000 0.000) 5.407 6.039 ( -0.095 0.000 0.000) 0.095 6.080 ( -4.869 0.000 0.000) 4.869 6.080 ( 6.504 0.000 0.000) 6.504 6.197 ( -4.903 0.000 0.000) 4.903 6.647 ( 8.015 0.000 0.000) 8.015 6.753 ( -2.811 0.000 0.000) 2.811 6.762 ( 6.040 0.000 0.000) 6.040 6.787 ( 10.911 0.000 0.000) 10.911 6.824 ( 2.134 0.000 0.000) 2.134 6.971 ( -6.034 0.000 0.000) 6.034 6.986 ( 13.953 0.000 0.000) 13.953 7.015 ( -2.188 0.000 0.000) 2.188 7.075 ( 7.730 0.000 0.000) 7.730 7.129 ( -11.690 0.000 0.000) 11.690 7.189 ( -5.613 0.000 0.000) 5.613 7.262 ( -8.716 0.000 0.000) 8.716 7.520 ( 14.422 0.000 0.000) 14.422 7.731 ( 3.267 0.000 0.000) 3.267 7.784 ( -9.238 0.000 0.000) 9.238 7.818 ( -4.298 0.000 0.000) 4.298 8.183 ( -3.849 0.000 0.000) 3.849 8.193 ( -4.899 0.000 0.000) 4.899 8.392 ( 3.650 0.000 0.000) 3.650 8.438 ( -1.250 0.000 0.000) 1.250 8.476 ( 5.256 0.000 0.000) 5.256 8.582 ( -7.643 0.000 0.000) 7.643 8.768 ( 20.772 0.000 0.000) 20.772 8.864 ( -0.599 0.000 0.000) 0.599 8.869 ( 1.517 0.000 0.000) 1.517 9.116 ( 20.081 0.000 0.000) 20.081 9.137 ( -13.605 0.000 0.000) 13.605 9.258 ( 7.183 0.000 0.000) 7.183 9.292 ( 1.999 0.000 0.000) 1.999 9.318 ( -3.650 0.000 0.000) 3.650 9.387 ( -6.362 0.000 0.000) 6.362 9.401 ( -5.732 0.000 0.000) 5.732 9.813 ( 5.865 0.000 0.000) 5.865 9.916 ( -2.338 0.000 0.000) 2.338 9.917 ( -2.343 0.000 0.000) 2.343 9.940 ( -7.091 0.000 0.000) 7.091 10.031 ( 3.658 0.000 0.000) 3.658 10.087 ( 5.332 0.000 0.000) 5.332 10.089 ( -2.951 0.000 0.000) 2.951 10.209 ( -4.848 0.000 0.000) 4.848 10.566 ( 7.415 0.000 0.000) 7.415 10.576 ( 4.301 0.000 0.000) 4.301 10.668 ( -1.926 0.000 0.000) 1.926 10.703 ( -3.747 0.000 0.000) 3.747 10.754 ( -2.806 0.000 0.000) 2.806 10.760 ( 1.846 0.000 0.000) 1.846 10.837 ( -14.551 0.000 0.000) 14.551 10.907 ( -14.700 0.000 0.000) 14.700 11.501 ( 4.332 0.000 0.000) 4.332 11.516 ( 6.359 0.000 0.000) 6.359 11.573 ( -2.431 0.000 0.000) 2.431 11.637 ( -6.394 0.000 0.000) 6.394 11.808 ( 6.537 0.000 0.000) 6.537 11.868 ( 3.704 0.000 0.000) 3.704 11.887 ( -0.346 0.000 0.000) 0.346 11.896 ( 1.707 0.000 0.000) 1.707 12.293 ( -5.396 0.000 0.000) 5.396 12.329 ( -9.464 0.000 0.000) 9.464 12.372 ( -5.883 0.000 0.000) 5.883 12.385 ( -6.275 0.000 0.000) 6.275 13.703 ( 6.060 0.000 0.000) 6.060 13.725 ( 7.372 0.000 0.000) 7.372 13.819 ( -5.057 0.000 0.000) 5.057 13.865 ( -6.048 0.000 0.000) 6.048 14.510 ( 3.408 0.000 0.000) 3.408 14.517 ( 2.421 0.000 0.000) 2.421 14.812 ( 11.011 0.000 0.000) 11.011 14.992 ( -7.480 0.000 0.000) 7.480 16.029 ( 13.139 0.000 0.000) 13.139 16.062 ( 6.902 0.000 0.000) 6.902 16.170 ( -4.476 0.000 0.000) 4.476 16.240 ( -8.851 0.000 0.000) 8.851 16.296 ( 0.429 0.000 0.000) 0.429 16.300 ( 0.780 0.000 0.000) 0.780 16.319 ( -1.817 0.000 0.000) 1.817 16.327 ( -2.160 0.000 0.000) 2.160 17.129 ( 10.829 0.000 0.000) 10.829 17.247 ( 9.930 0.000 0.000) 9.930 17.277 ( -4.993 0.000 0.000) 4.993 17.424 ( -7.817 0.000 0.000) 7.817 17.663 ( -0.723 0.000 0.000) 0.723 17.675 ( -2.643 0.000 0.000) 2.643 17.676 ( 0.541 0.000 0.000) 0.541 17.681 ( 1.223 0.000 0.000) 1.223 17.949 ( 11.222 0.000 0.000) 11.222 18.134 ( -7.249 0.000 0.000) 7.249 18.224 ( -0.129 0.000 0.000) 0.129 18.233 ( -0.575 0.000 0.000) 0.575 18.380 ( 1.910 0.000 0.000) 1.910 18.429 ( -0.193 0.000 0.000) 0.193 18.447 ( -3.849 0.000 0.000) 3.849 18.447 ( -1.492 0.000 0.000) 1.492 20.047 ( 4.922 0.000 0.000) 4.922 20.118 ( -2.596 0.000 0.000) 2.596 20.255 ( 2.732 0.000 0.000) 2.732 20.265 ( 6.728 0.000 0.000) 6.728 20.565 ( 27.436 0.000 0.000) 27.436 20.960 ( 5.274 0.000 0.000) 5.274 21.059 ( -4.798 0.000 0.000) 4.798 21.062 ( -18.072 0.000 0.000) 18.072 21.747 ( 18.308 0.000 0.000) 18.308 22.076 ( -15.184 0.000 0.000) 15.184 22.081 ( 13.159 0.000 0.000) 13.159 22.093 ( 18.251 0.000 0.000) 18.251 22.351 ( -12.809 0.000 0.000) 12.809 22.404 ( -12.274 0.000 0.000) 12.274 22.836 ( 2.546 0.000 0.000) 2.546 22.865 ( -0.587 0.000 0.000) 0.587 24.750 ( 5.502 0.000 0.000) 5.502 24.807 ( 5.853 0.000 0.000) 5.853 24.855 ( -5.006 0.000 0.000) 5.006 24.931 ( -6.244 0.000 0.000) 6.244 25.149 ( 0.736 0.000 0.000) 0.736 25.186 ( -3.211 0.000 0.000) 3.211 25.371 ( 5.116 0.000 0.000) 5.116 25.501 ( -8.379 0.000 0.000) 8.379 ======================= Grid point 7 (5/36) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 0.000 22.855 0.000) 22.855 0.539 ( 0.000 26.418 0.000) 26.418 0.889 ( 0.000 43.242 0.000) 43.242 1.155 ( 0.000 -8.641 0.000) 8.641 1.490 ( 0.000 -19.732 0.000) 19.732 1.854 ( 0.000 1.061 0.000) 1.061 1.976 ( 0.000 -3.625 0.000) 3.625 2.025 ( 0.000 -0.513 0.000) 0.513 2.042 ( 0.000 -4.996 0.000) 4.996 2.115 ( 0.000 2.381 0.000) 2.381 2.179 ( 0.000 -2.834 0.000) 2.834 2.271 ( 0.000 3.448 0.000) 3.448 2.277 ( 0.000 -6.602 0.000) 6.602 2.328 ( 0.000 9.654 0.000) 9.654 2.385 ( 0.000 4.710 0.000) 4.710 2.406 ( 0.000 8.749 0.000) 8.749 2.415 ( 0.000 2.509 0.000) 2.509 2.448 ( 0.000 1.096 0.000) 1.096 2.500 ( 0.000 -6.204 0.000) 6.204 2.546 ( 0.000 -6.608 0.000) 6.608 2.736 ( 0.000 -3.098 0.000) 3.098 2.739 ( 0.000 -15.373 0.000) 15.373 2.748 ( 0.000 -2.232 0.000) 2.232 2.755 ( 0.000 3.003 0.000) 3.003 2.880 ( 0.000 2.566 0.000) 2.566 2.893 ( 0.000 -6.345 0.000) 6.345 2.914 ( 0.000 2.427 0.000) 2.427 2.980 ( 0.000 -2.082 0.000) 2.082 2.986 ( 0.000 3.205 0.000) 3.205 3.018 ( 0.000 -1.672 0.000) 1.672 3.109 ( 0.000 -3.124 0.000) 3.124 3.114 ( 0.000 -11.024 0.000) 11.024 3.420 ( 0.000 -0.714 0.000) 0.714 3.435 ( 0.000 -0.534 0.000) 0.534 3.700 ( 0.000 -1.748 0.000) 1.748 3.701 ( 0.000 -0.997 0.000) 0.997 3.900 ( 0.000 12.251 0.000) 12.251 3.935 ( 0.000 -0.270 0.000) 0.270 3.954 ( 0.000 -1.154 0.000) 1.154 4.123 ( 0.000 4.014 0.000) 4.014 4.135 ( 0.000 1.696 0.000) 1.696 4.154 ( 0.000 -0.297 0.000) 0.297 4.275 ( 0.000 -2.759 0.000) 2.759 4.349 ( 0.000 9.477 0.000) 9.477 4.353 ( 0.000 -2.749 0.000) 2.749 4.478 ( 0.000 4.503 0.000) 4.503 4.544 ( 0.000 0.199 0.000) 0.199 4.659 ( 0.000 -5.506 0.000) 5.506 4.918 ( 0.000 2.705 0.000) 2.705 5.034 ( 0.000 -2.874 0.000) 2.874 5.245 ( 0.000 4.086 0.000) 4.086 5.283 ( 0.000 -0.125 0.000) 0.125 5.369 ( 0.000 -4.242 0.000) 4.242 5.415 ( 0.000 -2.960 0.000) 2.960 5.540 ( 0.000 1.857 0.000) 1.857 5.549 ( 0.000 0.306 0.000) 0.306 5.633 ( 0.000 1.749 0.000) 1.749 5.670 ( 0.000 0.697 0.000) 0.697 5.702 ( 0.000 -0.550 0.000) 0.550 5.739 ( 0.000 -2.389 0.000) 2.389 5.802 ( 0.000 0.325 0.000) 0.325 5.816 ( 0.000 0.372 0.000) 0.372 6.221 ( 0.000 5.634 0.000) 5.634 6.239 ( 0.000 0.922 0.000) 0.922 6.292 ( 0.000 -1.043 0.000) 1.043 6.478 ( 0.000 1.110 0.000) 1.110 6.544 ( 0.000 -7.652 0.000) 7.652 6.596 ( 0.000 -4.083 0.000) 4.083 6.767 ( 0.000 3.711 0.000) 3.711 6.797 ( 0.000 1.404 0.000) 1.404 6.964 ( 0.000 4.601 0.000) 4.601 7.000 ( 0.000 1.309 0.000) 1.309 7.071 ( 0.000 -1.388 0.000) 1.388 7.096 ( 0.000 -1.106 0.000) 1.106 7.229 ( 0.000 1.502 0.000) 1.502 7.390 ( 0.000 -5.013 0.000) 5.013 7.539 ( 0.000 0.212 0.000) 0.212 7.567 ( 0.000 -0.997 0.000) 0.997 7.917 ( 0.000 4.387 0.000) 4.387 7.959 ( 0.000 2.610 0.000) 2.610 8.005 ( 0.000 -0.104 0.000) 0.104 8.005 ( 0.000 -0.123 0.000) 0.123 8.115 ( 0.000 2.349 0.000) 2.349 8.243 ( 0.000 -2.971 0.000) 2.971 8.395 ( 0.000 -1.033 0.000) 1.033 8.442 ( 0.000 -2.622 0.000) 2.622 8.581 ( 0.000 3.434 0.000) 3.434 8.738 ( 0.000 -3.244 0.000) 3.244 8.933 ( 0.000 1.364 0.000) 1.364 8.974 ( 0.000 -0.545 0.000) 0.545 9.012 ( 0.000 0.729 0.000) 0.729 9.046 ( 0.000 -0.521 0.000) 0.521 9.264 ( 0.000 0.589 0.000) 0.589 9.287 ( 0.000 -0.336 0.000) 0.336 9.410 ( 0.000 0.704 0.000) 0.704 9.471 ( 0.000 -1.700 0.000) 1.700 9.505 ( 0.000 0.362 0.000) 0.362 9.543 ( 0.000 -1.080 0.000) 1.080 10.006 ( 0.000 0.759 0.000) 0.759 10.037 ( 0.000 -0.172 0.000) 0.172 10.046 ( 0.000 -0.770 0.000) 0.770 10.063 ( 0.000 -1.480 0.000) 1.480 10.224 ( 0.000 2.245 0.000) 2.245 10.294 ( 0.000 -0.724 0.000) 0.724 10.482 ( 0.000 2.698 0.000) 2.698 10.631 ( 0.000 -3.185 0.000) 3.185 10.777 ( 0.000 1.047 0.000) 1.047 10.817 ( 0.000 -0.565 0.000) 0.565 10.889 ( 0.000 0.433 0.000) 0.433 10.907 ( 0.000 -0.289 0.000) 0.289 11.415 ( 0.000 0.053 0.000) 0.053 11.423 ( 0.000 -0.298 0.000) 0.298 11.565 ( 0.000 -0.519 0.000) 0.519 11.603 ( 0.000 -1.258 0.000) 1.258 11.622 ( 0.000 0.119 0.000) 0.119 11.623 ( 0.000 0.041 0.000) 0.041 11.631 ( 0.000 0.066 0.000) 0.066 11.634 ( 0.000 0.301 0.000) 0.301 11.836 ( 0.000 5.074 0.000) 5.074 12.040 ( 0.000 -3.197 0.000) 3.197 12.774 ( 0.000 1.297 0.000) 1.297 12.834 ( 0.000 -1.000 0.000) 1.000 13.043 ( 0.000 0.470 0.000) 0.470 13.067 ( 0.000 -0.465 0.000) 0.465 13.649 ( 0.000 0.293 0.000) 0.293 13.665 ( 0.000 -0.335 0.000) 0.335 13.816 ( 0.000 0.640 0.000) 0.640 13.847 ( 0.000 -0.579 0.000) 0.579 14.102 ( 0.000 0.418 0.000) 0.418 14.125 ( 0.000 -0.466 0.000) 0.466 14.222 ( 0.000 -0.003 0.000) 0.003 14.222 ( 0.000 -0.021 0.000) 0.021 15.023 ( 0.000 0.878 0.000) 0.878 15.062 ( 0.000 -0.668 0.000) 0.668 16.158 ( 0.000 3.856 0.000) 3.856 16.328 ( 0.000 0.957 0.000) 0.957 16.360 ( 0.000 -4.234 0.000) 4.234 16.389 ( 0.000 -1.512 0.000) 1.512 16.474 ( 0.000 1.126 0.000) 1.126 16.525 ( 0.000 -0.780 0.000) 0.780 16.622 ( 0.000 1.294 0.000) 1.294 16.659 ( 0.000 -0.363 0.000) 0.363 16.933 ( 0.000 3.438 0.000) 3.438 17.152 ( 0.000 -5.386 0.000) 5.386 17.448 ( 0.000 2.044 0.000) 2.044 17.586 ( 0.000 -3.868 0.000) 3.868 17.695 ( 0.000 1.123 0.000) 1.123 17.712 ( 0.000 0.938 0.000) 0.938 18.131 ( 0.000 3.950 0.000) 3.950 18.315 ( 0.000 -3.565 0.000) 3.565 18.371 ( 0.000 0.687 0.000) 0.687 18.411 ( 0.000 -0.993 0.000) 0.993 18.441 ( 0.000 0.383 0.000) 0.383 18.450 ( 0.000 -0.076 0.000) 0.076 18.485 ( 0.000 0.714 0.000) 0.714 18.502 ( 0.000 -0.401 0.000) 0.401 18.601 ( 0.000 5.895 0.000) 5.895 18.952 ( 0.000 -8.977 0.000) 8.977 20.184 ( 0.000 0.158 0.000) 0.158 20.199 ( 0.000 -0.440 0.000) 0.440 20.253 ( 0.000 7.610 0.000) 7.610 20.468 ( 0.000 -2.205 0.000) 2.205 20.978 ( 0.000 6.961 0.000) 6.961 21.195 ( 0.000 1.917 0.000) 1.917 21.313 ( 0.000 -2.791 0.000) 2.791 21.472 ( 0.000 -12.259 0.000) 12.259 21.675 ( 0.000 0.298 0.000) 0.298 21.696 ( 0.000 -0.426 0.000) 0.426 22.512 ( 0.000 1.137 0.000) 1.137 22.586 ( 0.000 -2.138 0.000) 2.138 22.690 ( 0.000 3.468 0.000) 3.468 22.819 ( 0.000 -2.022 0.000) 2.022 24.685 ( 0.000 13.153 0.000) 13.153 25.029 ( 0.000 1.795 0.000) 1.795 25.111 ( 0.000 -1.453 0.000) 1.453 25.111 ( 0.000 1.019 0.000) 1.019 25.169 ( 0.000 -1.213 0.000) 1.213 25.270 ( 0.000 -10.609 0.000) 10.609 26.002 ( 0.000 2.176 0.000) 2.176 26.079 ( 0.000 -1.126 0.000) 1.126 ======================= Grid point 8 (6/36) ======================= q-point: ( 0.14 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 17.520 19.123 0.000) 25.935 0.781 ( 23.855 12.964 0.000) 27.150 1.270 ( 10.462 -6.774 0.000) 12.464 1.307 ( 32.676 24.811 0.000) 41.028 1.610 ( 7.241 -19.212 0.000) 20.532 1.905 ( 4.341 1.117 0.000) 4.482 2.013 ( 2.530 -5.528 0.000) 6.079 2.020 ( -0.029 -0.569 0.000) 0.570 2.032 ( -0.275 -4.733 0.000) 4.741 2.114 ( -0.790 1.318 0.000) 1.537 2.167 ( 0.449 -1.153 0.000) 1.237 2.235 ( -3.675 2.445 0.000) 4.414 2.253 ( -1.608 -0.684 0.000) 1.748 2.351 ( -3.274 2.809 0.000) 4.314 2.409 ( 2.995 6.170 0.000) 6.859 2.435 ( 9.806 3.304 0.000) 10.348 2.446 ( -4.125 -2.607 0.000) 4.880 2.463 ( 8.106 3.904 0.000) 8.998 2.467 ( 1.830 4.397 0.000) 4.762 2.613 ( 0.618 -1.576 0.000) 1.693 2.630 ( -5.063 0.412 0.000) 5.080 2.715 ( -2.770 2.164 0.000) 3.515 2.743 ( -0.710 -4.865 0.000) 4.917 2.842 ( -1.110 -0.881 0.000) 1.417 2.880 ( 9.552 -10.704 0.000) 14.346 2.922 ( -3.544 0.871 0.000) 3.650 2.947 ( 3.460 -2.255 0.000) 4.130 3.008 ( 0.108 -11.970 0.000) 11.971 3.054 ( 4.395 -1.154 0.000) 4.544 3.115 ( -0.070 -4.118 0.000) 4.118 3.178 ( 10.664 0.453 0.000) 10.674 3.291 ( 19.035 -3.057 0.000) 19.279 3.381 ( -1.846 3.723 0.000) 4.156 3.465 ( -2.110 -1.850 0.000) 2.806 3.540 ( 2.132 3.368 0.000) 3.987 3.635 ( -16.705 2.057 0.000) 16.831 3.644 ( -2.524 -2.960 0.000) 3.890 3.720 ( -17.971 -1.194 0.000) 18.011 3.957 ( -2.043 7.861 0.000) 8.122 4.083 ( -10.050 2.303 0.000) 10.311 4.088 ( -3.785 14.207 0.000) 14.703 4.124 ( -2.398 -0.107 0.000) 2.400 4.162 ( 0.395 -1.421 0.000) 1.475 4.289 ( -0.718 2.563 0.000) 2.661 4.361 ( 8.180 -0.182 0.000) 8.182 4.409 ( 5.737 -0.330 0.000) 5.746 4.608 ( 5.183 0.890 0.000) 5.259 4.657 ( 11.244 -0.323 0.000) 11.248 4.879 ( 0.159 -0.099 0.000) 0.187 5.051 ( -5.134 -6.255 0.000) 8.092 5.244 ( -4.079 1.210 0.000) 4.254 5.357 ( -1.655 -4.262 0.000) 4.572 5.478 ( -2.375 0.849 0.000) 2.522 5.497 ( -2.936 -0.247 0.000) 2.946 5.600 ( 12.888 1.147 0.000) 12.939 5.645 ( 2.001 0.521 0.000) 2.067 5.680 ( -1.114 0.375 0.000) 1.175 5.694 ( 1.445 -0.055 0.000) 1.446 5.701 ( -1.857 -0.296 0.000) 1.880 5.721 ( 1.617 -1.848 0.000) 2.456 5.895 ( 7.783 1.414 0.000) 7.910 5.910 ( 6.414 1.400 0.000) 6.565 6.286 ( 6.756 3.889 0.000) 7.795 6.323 ( 5.451 1.446 0.000) 5.639 6.333 ( 3.970 1.152 0.000) 4.133 6.431 ( -6.268 -0.735 0.000) 6.311 6.533 ( -1.410 -5.965 0.000) 6.129 6.545 ( 0.005 -6.302 0.000) 6.302 6.789 ( -0.390 1.511 0.000) 1.560 6.793 ( 3.121 2.362 0.000) 3.914 6.815 ( -1.068 6.954 0.000) 7.036 7.005 ( 0.364 -1.691 0.000) 1.730 7.189 ( 10.637 3.900 0.000) 11.329 7.200 ( -2.732 1.634 0.000) 3.183 7.330 ( 10.285 -1.454 0.000) 10.387 7.354 ( -3.374 -4.259 0.000) 5.434 7.535 ( -2.696 0.294 0.000) 2.712 7.725 ( -4.633 -7.419 0.000) 8.746 7.908 ( -0.967 3.244 0.000) 3.385 7.948 ( -1.236 2.036 0.000) 2.381 8.004 ( 6.382 -0.687 0.000) 6.419 8.043 ( 6.785 -5.223 0.000) 8.562 8.367 ( 13.858 0.910 0.000) 13.888 8.373 ( -2.094 -0.251 0.000) 2.109 8.438 ( -0.384 -2.425 0.000) 2.456 8.448 ( 13.337 0.433 0.000) 13.344 8.485 ( -5.167 0.208 0.000) 5.171 8.590 ( -8.247 -0.904 0.000) 8.296 8.973 ( -4.203 0.161 0.000) 4.206 8.987 ( -5.620 -0.055 0.000) 5.621 9.020 ( 6.558 1.295 0.000) 6.684 9.096 ( 8.030 -1.564 0.000) 8.181 9.378 ( -2.721 0.719 0.000) 2.815 9.444 ( -2.759 -1.771 0.000) 3.278 9.464 ( 14.199 1.446 0.000) 14.273 9.508 ( -1.110 -0.024 0.000) 1.110 9.521 ( -1.029 -0.026 0.000) 1.029 9.754 ( 17.532 -16.914 0.000) 24.361 9.999 ( -2.395 -0.084 0.000) 2.396 10.002 ( -0.399 0.815 0.000) 0.908 10.040 ( -0.741 -0.599 0.000) 0.953 10.063 ( -1.321 -3.055 0.000) 3.328 10.228 ( -0.001 2.864 0.000) 2.864 10.292 ( -0.494 -0.229 0.000) 0.545 10.518 ( 0.379 -1.736 0.000) 1.777 10.578 ( -3.006 -2.910 0.000) 4.184 10.766 ( -0.997 0.724 0.000) 1.232 10.792 ( -2.470 -0.324 0.000) 2.491 10.853 ( -3.623 0.247 0.000) 3.631 10.864 ( -3.310 -0.287 0.000) 3.322 11.390 ( -1.433 1.879 0.000) 2.363 11.403 ( -0.188 0.156 0.000) 0.244 11.461 ( -9.356 -0.531 0.000) 9.371 11.465 ( -9.890 -0.406 0.000) 9.898 11.592 ( 4.270 5.413 0.000) 6.894 11.630 ( -0.892 1.702 0.000) 1.922 11.717 ( 3.000 -1.908 0.000) 3.556 11.719 ( 5.011 -1.583 0.000) 5.255 11.829 ( 0.239 3.605 0.000) 3.613 11.967 ( -6.595 -1.966 0.000) 6.882 12.691 ( -8.169 1.486 0.000) 8.303 12.760 ( -7.551 -1.151 0.000) 7.638 12.822 ( -12.727 3.552 0.000) 13.213 12.947 ( -16.489 -2.070 0.000) 16.618 13.595 ( -2.645 0.221 0.000) 2.654 13.606 ( -2.930 -0.180 0.000) 2.936 13.861 ( 4.113 0.268 0.000) 4.122 13.882 ( 4.066 0.048 0.000) 4.067 14.202 ( 12.061 7.100 0.000) 13.996 14.250 ( 9.930 0.154 0.000) 9.931 14.266 ( 13.283 -0.494 0.000) 13.292 14.825 ( 12.581 -22.732 0.000) 25.981 15.342 ( 22.584 3.168 0.000) 22.805 15.491 ( 25.388 -6.107 0.000) 26.112 16.234 ( 4.321 0.962 0.000) 4.427 16.310 ( -1.792 1.109 0.000) 2.108 16.335 ( -1.304 -0.408 0.000) 1.367 16.376 ( -1.319 -1.572 0.000) 2.052 16.445 ( -2.765 1.008 0.000) 2.943 16.490 ( -3.417 -0.674 0.000) 3.483 16.677 ( 6.552 1.538 0.000) 6.730 16.777 ( 11.108 -1.625 0.000) 11.227 17.178 ( 11.385 0.066 0.000) 11.385 17.429 ( -1.864 2.227 0.000) 2.905 17.573 ( -1.478 -3.886 0.000) 4.158 17.627 ( 24.871 -27.596 0.000) 37.150 17.682 ( -1.086 1.100 0.000) 1.546 17.707 ( -0.609 0.674 0.000) 0.908 18.047 ( -8.380 2.441 0.000) 8.728 18.171 ( -1.295 -4.453 0.000) 4.637 18.319 ( -3.737 0.505 0.000) 3.771 18.345 ( -4.442 -0.532 0.000) 4.474 18.368 ( -4.290 0.239 0.000) 4.297 18.467 ( 1.340 0.597 0.000) 1.467 18.493 ( 1.685 -0.442 0.000) 1.742 18.505 ( -5.799 -3.036 0.000) 6.546 19.031 ( 28.380 -6.026 0.000) 29.013 19.339 ( 36.253 -20.282 0.000) 41.540 20.184 ( 0.129 -0.101 0.000) 0.164 20.187 ( -1.102 -0.209 0.000) 1.122 20.218 ( 0.261 7.955 0.000) 7.959 20.580 ( 6.320 -7.475 0.000) 9.789 21.154 ( 15.233 5.779 0.000) 16.292 21.190 ( -0.726 1.864 0.000) 2.001 21.307 ( -0.937 -2.780 0.000) 2.934 21.664 ( 5.339 0.476 0.000) 5.360 21.703 ( 5.442 -5.548 0.000) 7.772 21.865 ( 24.116 -22.140 0.000) 32.738 22.474 ( -4.012 1.336 0.000) 4.228 22.563 ( -2.598 -2.661 0.000) 3.719 22.687 ( -0.577 3.847 0.000) 3.890 22.827 ( 0.645 -2.214 0.000) 2.306 24.689 ( 0.533 12.192 0.000) 12.203 25.015 ( -1.513 2.052 0.000) 2.549 25.099 ( -1.011 0.570 0.000) 1.160 25.120 ( 0.500 -0.569 0.000) 0.757 25.198 ( 2.541 -1.731 0.000) 3.075 25.221 ( -5.123 -6.982 0.000) 8.660 25.574 ( -29.586 25.906 0.000) 39.325 25.893 ( -10.177 -0.304 0.000) 10.181 ======================= Grid point 9 (7/36) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 21.579 8.547 0.000) 23.210 1.251 ( 22.091 6.018 0.000) 22.896 1.503 ( 12.128 -3.355 0.000) 12.583 1.688 ( 2.314 -13.055 0.000) 13.259 1.815 ( 14.517 7.323 0.000) 16.260 1.981 ( 2.973 1.844 0.000) 3.499 1.990 ( -2.703 -3.448 0.000) 4.381 1.998 ( -1.438 0.461 0.000) 1.510 2.079 ( -2.894 1.351 0.000) 3.194 2.079 ( 1.674 -7.086 0.000) 7.281 2.142 ( -5.347 1.315 0.000) 5.507 2.193 ( 1.098 -2.516 0.000) 2.746 2.228 ( -0.877 -0.323 0.000) 0.935 2.258 ( -5.790 -2.488 0.000) 6.302 2.355 ( -5.229 1.804 0.000) 5.532 2.449 ( -3.577 -1.719 0.000) 3.969 2.500 ( 1.360 5.885 0.000) 6.040 2.503 ( -4.489 5.481 0.000) 7.084 2.556 ( 4.018 2.299 0.000) 4.629 2.650 ( -5.885 4.617 0.000) 7.480 2.679 ( 5.510 -1.524 0.000) 5.717 2.707 ( 4.127 5.246 0.000) 6.675 2.835 ( -1.805 -1.314 0.000) 2.233 2.849 ( 17.078 4.591 0.000) 17.685 2.875 ( 0.526 -2.681 0.000) 2.732 2.963 ( -0.799 -11.386 0.000) 11.414 3.033 ( 4.863 -2.698 0.000) 5.561 3.045 ( -6.042 -3.633 0.000) 7.050 3.083 ( 7.794 -3.260 0.000) 8.449 3.159 ( 5.388 -3.144 0.000) 6.238 3.171 ( -0.779 2.040 0.000) 2.184 3.337 ( -5.966 -5.358 0.000) 8.019 3.431 ( -3.041 3.664 0.000) 4.761 3.445 ( 5.503 1.604 0.000) 5.732 3.459 ( -5.710 1.726 0.000) 5.965 3.585 ( 2.833 -4.697 0.000) 5.485 3.785 ( 9.261 2.597 0.000) 9.618 3.847 ( 19.433 1.893 0.000) 19.525 3.892 ( 3.008 3.698 0.000) 4.767 3.944 ( -3.258 0.344 0.000) 3.276 4.001 ( 0.250 3.791 0.000) 3.800 4.013 ( -6.722 -1.980 0.000) 7.007 4.369 ( 14.643 0.368 0.000) 14.648 4.427 ( 13.219 -2.142 0.000) 13.392 4.467 ( 2.088 0.834 0.000) 2.249 4.494 ( 0.641 0.938 0.000) 1.136 4.719 ( 5.943 0.736 0.000) 5.989 4.817 ( 4.420 -2.821 0.000) 5.243 4.879 ( 0.268 -1.354 0.000) 1.380 4.938 ( -4.749 -3.118 0.000) 5.681 5.146 ( -5.340 1.767 0.000) 5.625 5.273 ( -6.893 -3.718 0.000) 7.832 5.443 ( -0.823 0.835 0.000) 1.172 5.502 ( 1.803 -1.504 0.000) 2.348 5.558 ( -6.537 3.419 0.000) 7.377 5.624 ( -2.677 0.209 0.000) 2.686 5.662 ( -1.833 1.069 0.000) 2.122 5.684 ( -2.245 0.022 0.000) 2.245 5.688 ( -2.596 0.640 0.000) 2.674 5.786 ( 1.189 -2.772 0.000) 3.017 5.994 ( 4.184 2.480 0.000) 4.864 6.040 ( 3.555 0.798 0.000) 3.644 6.242 ( -8.194 1.549 0.000) 8.339 6.277 ( -5.316 -0.171 0.000) 5.319 6.468 ( 10.805 1.731 0.000) 10.942 6.584 ( 5.728 -2.698 0.000) 6.331 6.592 ( 12.230 -0.882 0.000) 12.261 6.640 ( 13.010 -1.533 0.000) 13.100 6.799 ( 1.724 1.887 0.000) 2.556 6.845 ( 1.478 6.465 0.000) 6.632 6.890 ( 6.066 -1.581 0.000) 6.269 7.023 ( -0.284 -1.528 0.000) 1.554 7.134 ( -3.591 2.769 0.000) 4.534 7.274 ( -4.455 -2.556 0.000) 5.136 7.321 ( -1.531 0.903 0.000) 1.778 7.376 ( 0.198 1.403 0.000) 1.417 7.423 ( -6.678 1.515 0.000) 6.847 7.676 ( -0.567 -4.934 0.000) 4.966 7.876 ( -2.499 0.902 0.000) 2.657 7.903 ( -3.618 0.707 0.000) 3.687 8.229 ( 12.448 0.523 0.000) 12.459 8.282 ( 13.928 0.924 0.000) 13.959 8.319 ( -3.378 1.840 0.000) 3.847 8.368 ( -3.388 -0.455 0.000) 3.419 8.420 ( 2.730 -2.175 0.000) 3.491 8.430 ( -0.452 -2.210 0.000) 2.256 8.693 ( 13.577 -0.034 0.000) 13.577 8.751 ( 13.526 -0.994 0.000) 13.563 8.805 ( -11.049 1.316 0.000) 11.127 8.890 ( -4.801 -1.637 0.000) 5.072 9.142 ( 6.082 1.719 0.000) 6.320 9.224 ( 4.577 -1.743 0.000) 4.898 9.308 ( -4.779 0.829 0.000) 4.851 9.382 ( -3.182 -1.207 0.000) 3.403 9.462 ( -3.026 0.285 0.000) 3.040 9.486 ( -3.671 -0.631 0.000) 3.725 9.696 ( 8.481 1.901 0.000) 8.692 9.903 ( 2.799 -6.361 0.000) 6.949 9.956 ( -2.067 -0.374 0.000) 2.101 9.995 ( -0.219 0.940 0.000) 0.965 10.011 ( -3.688 -3.369 0.000) 4.995 10.024 ( 0.047 -0.578 0.000) 0.579 10.201 ( -3.102 3.223 0.000) 4.474 10.266 ( -2.208 -0.221 0.000) 2.220 10.497 ( 0.433 0.409 0.000) 0.596 10.543 ( -1.089 -1.934 0.000) 2.219 10.730 ( -3.316 0.520 0.000) 3.356 10.743 ( -1.334 0.033 0.000) 1.334 10.775 ( -3.040 0.513 0.000) 3.084 10.807 ( -3.050 -1.137 0.000) 3.255 11.191 ( -17.356 0.700 0.000) 17.370 11.222 ( -15.479 -0.511 0.000) 15.487 11.419 ( 3.964 1.364 0.000) 4.193 11.432 ( 3.055 0.395 0.000) 3.080 11.606 ( -1.003 1.187 0.000) 1.554 11.710 ( 6.588 3.482 0.000) 7.452 11.715 ( -3.659 -3.892 0.000) 5.342 11.817 ( 4.785 -1.200 0.000) 4.933 11.856 ( -1.945 1.513 0.000) 2.464 11.863 ( 2.413 1.650 0.000) 2.923 12.487 ( -11.432 1.458 0.000) 11.525 12.558 ( -11.880 -1.156 0.000) 11.936 12.567 ( -12.392 0.492 0.000) 12.401 12.601 ( -16.757 -0.629 0.000) 16.769 13.607 ( 3.720 0.057 0.000) 3.720 13.609 ( 3.289 0.032 0.000) 3.289 13.892 ( -1.103 0.859 0.000) 1.398 13.929 ( -0.597 -0.507 0.000) 0.783 14.436 ( 8.182 1.578 0.000) 8.333 14.444 ( 10.259 7.209 0.000) 12.539 14.536 ( 13.197 -2.310 0.000) 13.398 14.954 ( 1.304 -13.367 0.000) 13.431 15.750 ( 17.944 3.501 0.000) 18.283 15.858 ( 14.007 -1.431 0.000) 14.080 16.260 ( -3.280 1.327 0.000) 3.539 16.283 ( 1.001 0.547 0.000) 1.141 16.314 ( -0.850 0.423 0.000) 0.950 16.336 ( -2.883 -1.901 0.000) 3.453 16.378 ( -3.833 0.710 0.000) 3.899 16.403 ( -4.841 -0.058 0.000) 4.842 16.883 ( 13.662 1.496 0.000) 13.744 17.009 ( 11.427 -3.237 0.000) 11.877 17.379 ( -3.139 2.474 0.000) 3.997 17.503 ( 17.426 3.640 0.000) 17.802 17.519 ( -4.188 -3.016 0.000) 5.160 17.662 ( -0.756 0.171 0.000) 0.775 17.687 ( -1.325 -0.050 0.000) 1.326 17.732 ( -3.501 -4.678 0.000) 5.843 17.905 ( -2.737 4.193 0.000) 5.007 18.251 ( -3.444 0.291 0.000) 3.456 18.258 ( -3.744 0.247 0.000) 3.753 18.260 ( 3.792 -1.227 0.000) 3.985 18.298 ( -1.350 -7.614 0.000) 7.733 18.400 ( -3.600 -3.198 0.000) 4.815 18.473 ( -0.771 0.424 0.000) 0.880 18.497 ( -1.388 -0.466 0.000) 1.464 19.648 ( 33.427 -2.003 0.000) 33.487 19.924 ( 20.332 -7.806 0.000) 21.779 20.162 ( -1.294 0.423 0.000) 1.361 20.197 ( 1.231 -0.912 0.000) 1.532 20.299 ( 7.774 2.337 0.000) 8.118 20.695 ( 7.273 -11.172 0.000) 13.331 21.153 ( -3.306 1.583 0.000) 3.665 21.254 ( -5.235 -2.416 0.000) 5.766 21.490 ( 16.754 8.998 0.000) 19.017 21.812 ( 13.325 4.192 0.000) 13.969 21.827 ( 7.958 -4.049 0.000) 8.929 22.344 ( -9.573 1.791 0.000) 9.739 22.359 ( 20.969 -26.333 0.000) 33.662 22.470 ( -7.310 -4.000 0.000) 8.332 22.648 ( -4.114 4.928 0.000) 6.420 22.832 ( -0.467 -3.154 0.000) 3.189 24.714 ( 2.289 9.329 0.000) 9.605 24.967 ( -3.419 2.586 0.000) 4.287 25.066 ( -2.474 1.853 0.000) 3.091 25.071 ( -7.897 11.745 0.000) 14.153 25.126 ( 0.000 -0.584 0.000) 0.584 25.237 ( -7.658 4.552 0.000) 8.908 25.257 ( 3.289 -2.814 0.000) 4.329 25.660 ( -12.181 -3.874 0.000) 12.783 ======================= Grid point 10 (8/36) ======================= q-point: ( 0.43 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 19.704 1.749 0.000) 19.781 1.600 ( 12.548 2.017 0.000) 12.709 1.723 ( 9.985 -0.843 0.000) 10.020 1.730 ( 1.158 -3.813 0.000) 3.985 1.875 ( -4.463 -0.543 0.000) 4.496 1.892 ( -9.171 -2.100 0.000) 9.409 1.964 ( -1.862 -3.903 0.000) 4.325 2.015 ( -7.372 -1.201 0.000) 7.470 2.027 ( -0.342 1.520 0.000) 1.558 2.064 ( -2.901 -4.190 0.000) 5.097 2.081 ( 5.449 2.648 0.000) 6.058 2.163 ( -3.233 -2.875 0.000) 4.327 2.195 ( -0.282 -4.570 0.000) 4.579 2.234 ( 1.582 -0.269 0.000) 1.605 2.239 ( -5.587 0.342 0.000) 5.598 2.299 ( -6.322 -1.382 0.000) 6.471 2.463 ( 0.949 9.007 0.000) 9.057 2.521 ( 0.432 5.739 0.000) 5.755 2.540 ( -4.048 7.904 0.000) 8.880 2.566 ( -1.588 3.438 0.000) 3.787 2.751 ( 1.671 -5.605 0.000) 5.848 2.782 ( -2.173 -7.062 0.000) 7.389 2.869 ( 1.030 -4.976 0.000) 5.081 2.894 ( -2.064 -9.001 0.000) 9.235 2.911 ( 9.488 2.233 0.000) 9.747 3.009 ( 3.325 -0.028 0.000) 3.325 3.021 ( -1.914 4.368 0.000) 4.769 3.107 ( -1.288 2.424 0.000) 2.745 3.123 ( 3.439 0.902 0.000) 3.556 3.177 ( -4.356 -1.478 0.000) 4.600 3.234 ( 2.814 2.253 0.000) 3.605 3.300 ( -1.243 -1.223 0.000) 1.744 3.408 ( 2.664 1.786 0.000) 3.207 3.490 ( -4.842 3.064 0.000) 5.730 3.564 ( 10.737 0.565 0.000) 10.752 3.681 ( 12.077 2.710 0.000) 12.377 3.766 ( -7.076 -0.464 0.000) 7.091 3.876 ( -6.926 -0.252 0.000) 6.930 3.968 ( 3.481 -2.554 0.000) 4.317 3.977 ( 5.278 -3.126 0.000) 6.134 4.171 ( 13.368 0.573 0.000) 13.380 4.207 ( 11.860 0.385 0.000) 11.866 4.402 ( -9.261 0.809 0.000) 9.296 4.417 ( -7.808 0.815 0.000) 7.850 4.659 ( 11.766 -0.671 0.000) 11.785 4.683 ( 11.692 -0.376 0.000) 11.698 4.802 ( 0.315 -0.052 0.000) 0.319 4.821 ( -4.136 -1.916 0.000) 4.558 4.925 ( 6.340 -1.380 0.000) 6.488 4.945 ( 4.870 -1.798 0.000) 5.192 5.042 ( -5.145 -0.203 0.000) 5.149 5.106 ( -9.676 -2.252 0.000) 9.934 5.418 ( -1.547 2.174 0.000) 2.668 5.439 ( -4.394 3.259 0.000) 5.470 5.529 ( 0.682 -2.753 0.000) 2.836 5.561 ( -2.995 -2.161 0.000) 3.693 5.637 ( -1.216 1.228 0.000) 1.728 5.648 ( -1.622 1.914 0.000) 2.509 5.663 ( 2.605 0.079 0.000) 2.606 5.740 ( -4.231 -2.075 0.000) 4.712 6.059 ( 0.769 1.639 0.000) 1.811 6.088 ( 4.896 0.496 0.000) 4.921 6.105 ( -4.689 2.194 0.000) 5.177 6.186 ( -4.728 -1.133 0.000) 4.862 6.664 ( 8.193 1.744 0.000) 8.377 6.742 ( 2.790 1.339 0.000) 3.095 6.765 ( 10.684 -2.177 0.000) 10.903 6.842 ( 0.611 4.657 0.000) 4.697 6.852 ( 2.622 2.690 0.000) 3.756 6.899 ( 2.792 -4.429 0.000) 5.235 6.983 ( 2.124 -2.761 0.000) 3.484 6.990 ( 1.463 -1.265 0.000) 1.934 7.104 ( 2.577 2.310 0.000) 3.461 7.160 ( -8.735 2.408 0.000) 9.061 7.181 ( -4.811 -0.892 0.000) 4.893 7.244 ( -8.393 -1.602 0.000) 8.545 7.554 ( 12.422 3.279 0.000) 12.847 7.707 ( 4.183 -2.441 0.000) 4.843 7.784 ( -8.775 0.065 0.000) 8.775 7.807 ( -5.032 -0.890 0.000) 5.110 8.225 ( -2.658 4.059 0.000) 4.852 8.242 ( -3.808 4.422 0.000) 5.835 8.380 ( 2.174 -1.415 0.000) 2.594 8.415 ( -1.269 -2.361 0.000) 2.680 8.498 ( 6.754 2.220 0.000) 7.109 8.612 ( -7.193 3.032 0.000) 7.806 8.714 ( 14.412 -6.450 0.000) 15.789 8.816 ( -2.456 -4.749 0.000) 5.346 8.875 ( 9.142 2.813 0.000) 9.565 9.076 ( 18.058 -3.981 0.000) 18.492 9.152 ( -12.470 2.190 0.000) 12.661 9.266 ( 5.903 0.604 0.000) 5.934 9.286 ( 2.666 -0.500 0.000) 2.712 9.313 ( -4.714 -1.653 0.000) 4.996 9.371 ( -6.850 -1.789 0.000) 7.080 9.381 ( -6.028 -0.547 0.000) 6.052 9.831 ( 6.009 1.850 0.000) 6.288 9.915 ( -0.965 -0.497 0.000) 1.086 9.917 ( -1.726 0.066 0.000) 1.727 9.931 ( -4.123 -0.522 0.000) 4.156 10.039 ( 3.419 0.540 0.000) 3.461 10.068 ( 5.952 -1.436 0.000) 6.123 10.117 ( -4.734 2.258 0.000) 5.245 10.196 ( -5.280 -1.228 0.000) 5.421 10.577 ( 7.500 0.862 0.000) 7.549 10.580 ( 6.461 0.515 0.000) 6.481 10.687 ( -1.018 1.610 0.000) 1.905 10.709 ( -2.644 0.487 0.000) 2.688 10.741 ( -1.966 -0.872 0.000) 2.151 10.752 ( -0.244 -0.900 0.000) 0.933 10.839 ( -16.053 0.285 0.000) 16.055 10.891 ( -15.706 -1.457 0.000) 15.774 11.509 ( 4.407 0.647 0.000) 4.455 11.521 ( 5.630 0.305 0.000) 5.638 11.580 ( -2.372 0.622 0.000) 2.452 11.623 ( -4.845 -1.237 0.000) 5.001 11.831 ( 5.282 2.026 0.000) 5.657 11.868 ( 1.630 0.939 0.000) 1.881 11.895 ( 2.634 -0.334 0.000) 2.655 11.908 ( 1.030 0.729 0.000) 1.262 12.301 ( -5.736 0.982 0.000) 5.820 12.331 ( -9.008 0.391 0.000) 9.017 12.362 ( -5.995 -1.030 0.000) 6.083 12.374 ( -6.638 -1.050 0.000) 6.721 13.708 ( 6.271 0.380 0.000) 6.283 13.723 ( 7.205 -0.219 0.000) 7.209 13.827 ( -5.219 0.740 0.000) 5.271 13.860 ( -5.932 -0.520 0.000) 5.955 14.553 ( 3.494 3.502 0.000) 4.947 14.566 ( 2.405 5.586 0.000) 6.082 14.762 ( 9.600 -4.630 0.000) 10.658 14.908 ( -5.210 -7.759 0.000) 9.346 16.040 ( 11.890 0.927 0.000) 11.926 16.062 ( 7.601 -0.083 0.000) 7.602 16.180 ( -4.859 1.019 0.000) 4.965 16.232 ( -7.852 -0.904 0.000) 7.904 16.293 ( 0.504 0.180 0.000) 0.535 16.308 ( 0.359 0.177 0.000) 0.400 16.316 ( -2.011 0.197 0.000) 2.021 16.333 ( -2.290 0.090 0.000) 2.291 17.143 ( 11.141 1.362 0.000) 11.223 17.227 ( 10.505 -1.897 0.000) 10.674 17.300 ( -5.385 2.152 0.000) 5.799 17.405 ( -7.480 -1.837 0.000) 7.703 17.652 ( -0.066 -1.140 0.000) 1.142 17.653 ( -0.418 -0.786 0.000) 0.890 17.663 ( -0.607 -1.033 0.000) 1.198 17.671 ( -1.352 -1.399 0.000) 1.945 18.010 ( 9.495 5.749 0.000) 11.100 18.157 ( -5.678 2.123 0.000) 6.062 18.226 ( -0.278 -0.137 0.000) 0.310 18.240 ( -1.541 -0.352 0.000) 1.580 18.358 ( 3.857 -2.372 0.000) 4.528 18.387 ( 1.956 -2.763 0.000) 3.386 18.438 ( -2.989 -0.638 0.000) 3.057 18.441 ( -3.657 -0.509 0.000) 3.692 20.053 ( 7.444 1.158 0.000) 7.533 20.132 ( -2.130 1.362 0.000) 2.529 20.215 ( 5.802 -4.785 0.000) 7.521 20.228 ( 1.583 -2.444 0.000) 2.912 20.609 ( 26.368 4.534 0.000) 26.755 20.885 ( 10.400 -6.596 0.000) 12.315 21.055 ( -7.576 -0.264 0.000) 7.581 21.058 ( -15.328 -0.348 0.000) 15.332 21.796 ( 15.555 4.357 0.000) 16.154 22.014 ( 11.943 -4.938 0.000) 12.923 22.100 ( -14.804 2.391 0.000) 14.996 22.176 ( 19.709 6.966 0.000) 20.904 22.270 ( -12.750 -5.176 0.000) 13.760 22.496 ( -12.022 6.391 0.000) 13.615 22.661 ( 10.425 -14.348 0.000) 17.736 22.794 ( -3.820 -6.431 0.000) 7.480 24.783 ( 4.613 5.694 0.000) 7.328 24.882 ( -5.060 3.417 0.000) 6.106 24.987 ( -0.918 9.545 0.000) 9.589 25.010 ( -2.648 4.666 0.000) 5.365 25.124 ( 0.118 -0.868 0.000) 0.876 25.146 ( -2.519 -1.244 0.000) 2.810 25.330 ( 4.564 -4.044 0.000) 6.098 25.453 ( -8.388 -4.862 0.000) 9.695 ======================= Grid point 14 (9/36) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 0.000 -17.497 0.000) 17.497 0.890 ( 0.000 17.497 0.000) 17.497 1.046 ( 0.000 -24.013 0.000) 24.013 1.046 ( 0.000 24.013 0.000) 24.013 1.675 ( 0.000 -30.733 0.000) 30.733 1.675 ( 0.000 30.733 0.000) 30.733 1.959 ( 0.000 -2.220 0.000) 2.220 1.959 ( 0.000 2.220 0.000) 2.220 1.994 ( 0.000 -1.682 0.000) 1.682 1.994 ( 0.000 1.682 0.000) 1.682 2.170 ( 0.000 -2.846 0.000) 2.846 2.170 ( 0.000 2.846 0.000) 2.846 2.367 ( 0.000 -6.092 0.000) 6.092 2.367 ( 0.000 6.092 0.000) 6.092 2.447 ( 0.000 -0.532 0.000) 0.532 2.447 ( 0.000 0.532 0.000) 0.532 2.463 ( 0.000 -0.988 0.000) 0.988 2.463 ( 0.000 0.988 0.000) 0.988 2.527 ( 0.000 -8.944 0.000) 8.944 2.527 ( 0.000 8.944 0.000) 8.944 2.603 ( 0.000 -9.448 0.000) 9.448 2.603 ( 0.000 9.448 0.000) 9.448 2.764 ( 0.000 -4.655 0.000) 4.655 2.764 ( 0.000 4.655 0.000) 4.655 2.883 ( 0.000 -9.889 0.000) 9.889 2.883 ( 0.000 9.889 0.000) 9.889 2.934 ( 0.000 -2.579 0.000) 2.579 2.934 ( 0.000 2.579 0.000) 2.579 2.972 ( 0.000 -3.063 0.000) 3.063 2.972 ( 0.000 3.063 0.000) 3.063 3.046 ( 0.000 -2.919 0.000) 2.919 3.046 ( 0.000 2.919 0.000) 2.919 3.422 ( 0.000 -0.602 0.000) 0.602 3.422 ( 0.000 0.602 0.000) 0.602 3.686 ( 0.000 -0.270 0.000) 0.270 3.686 ( 0.000 0.270 0.000) 0.270 3.936 ( 0.000 -0.470 0.000) 0.470 3.936 ( 0.000 0.470 0.000) 0.470 4.096 ( 0.000 -6.361 0.000) 6.361 4.096 ( 0.000 6.361 0.000) 6.361 4.166 ( 0.000 -0.702 0.000) 0.702 4.166 ( 0.000 0.702 0.000) 0.702 4.280 ( 0.000 -3.524 0.000) 3.524 4.280 ( 0.000 3.524 0.000) 3.524 4.525 ( 0.000 -7.716 0.000) 7.716 4.525 ( 0.000 7.716 0.000) 7.716 4.538 ( 0.000 -1.355 0.000) 1.355 4.538 ( 0.000 1.355 0.000) 1.355 4.975 ( 0.000 -2.925 0.000) 2.925 4.975 ( 0.000 2.925 0.000) 2.925 5.301 ( 0.000 -2.204 0.000) 2.204 5.301 ( 0.000 2.204 0.000) 2.204 5.336 ( 0.000 -4.640 0.000) 4.640 5.336 ( 0.000 4.640 0.000) 4.640 5.556 ( 0.000 -0.079 0.000) 0.079 5.556 ( 0.000 0.079 0.000) 0.079 5.682 ( 0.000 -2.952 0.000) 2.952 5.682 ( 0.000 2.952 0.000) 2.952 5.687 ( 0.000 -0.893 0.000) 0.893 5.687 ( 0.000 0.893 0.000) 0.893 5.812 ( 0.000 -0.564 0.000) 0.564 5.812 ( 0.000 0.564 0.000) 0.564 6.264 ( 0.000 -1.506 0.000) 1.506 6.264 ( 0.000 1.506 0.000) 1.506 6.374 ( 0.000 -8.819 0.000) 8.819 6.374 ( 0.000 8.819 0.000) 8.819 6.520 ( 0.000 -3.102 0.000) 3.102 6.520 ( 0.000 3.102 0.000) 3.102 6.812 ( 0.000 -0.488 0.000) 0.488 6.812 ( 0.000 0.488 0.000) 0.488 7.034 ( 0.000 -1.757 0.000) 1.757 7.034 ( 0.000 1.757 0.000) 1.757 7.051 ( 0.000 -3.257 0.000) 3.257 7.051 ( 0.000 3.257 0.000) 3.257 7.288 ( 0.000 -4.434 0.000) 4.434 7.288 ( 0.000 4.434 0.000) 4.434 7.548 ( 0.000 -0.731 0.000) 0.731 7.548 ( 0.000 0.731 0.000) 0.731 7.983 ( 0.000 -1.143 0.000) 1.143 7.983 ( 0.000 1.143 0.000) 1.143 8.004 ( 0.000 -0.011 0.000) 0.011 8.004 ( 0.000 0.011 0.000) 0.011 8.176 ( 0.000 -3.472 0.000) 3.472 8.176 ( 0.000 3.472 0.000) 3.472 8.393 ( 0.000 -1.436 0.000) 1.436 8.393 ( 0.000 1.436 0.000) 1.436 8.661 ( 0.000 -4.210 0.000) 4.210 8.661 ( 0.000 4.210 0.000) 4.210 8.958 ( 0.000 -1.049 0.000) 1.049 8.958 ( 0.000 1.049 0.000) 1.049 9.030 ( 0.000 -0.993 0.000) 0.993 9.030 ( 0.000 0.993 0.000) 0.993 9.277 ( 0.000 -0.611 0.000) 0.611 9.277 ( 0.000 0.611 0.000) 0.611 9.435 ( 0.000 -1.682 0.000) 1.682 9.435 ( 0.000 1.682 0.000) 1.682 9.519 ( 0.000 -1.050 0.000) 1.050 9.519 ( 0.000 1.050 0.000) 1.050 10.026 ( 0.000 -1.101 0.000) 1.101 10.026 ( 0.000 1.101 0.000) 1.101 10.041 ( 0.000 -0.640 0.000) 0.640 10.041 ( 0.000 0.640 0.000) 0.640 10.268 ( 0.000 -1.871 0.000) 1.871 10.268 ( 0.000 1.871 0.000) 1.871 10.554 ( 0.000 -4.128 0.000) 4.128 10.554 ( 0.000 4.128 0.000) 4.128 10.800 ( 0.000 -1.121 0.000) 1.121 10.800 ( 0.000 1.121 0.000) 1.121 10.899 ( 0.000 -0.488 0.000) 0.488 10.899 ( 0.000 0.488 0.000) 0.488 11.417 ( 0.000 -0.211 0.000) 0.211 11.417 ( 0.000 0.211 0.000) 0.211 11.574 ( 0.000 -1.250 0.000) 1.250 11.574 ( 0.000 1.250 0.000) 1.250 11.624 ( 0.000 -0.033 0.000) 0.033 11.624 ( 0.000 0.033 0.000) 0.033 11.634 ( 0.000 -0.195 0.000) 0.195 11.634 ( 0.000 0.195 0.000) 0.195 11.949 ( 0.000 -5.568 0.000) 5.568 11.949 ( 0.000 5.568 0.000) 5.568 12.806 ( 0.000 -1.660 0.000) 1.660 12.806 ( 0.000 1.660 0.000) 1.660 13.055 ( 0.000 -0.661 0.000) 0.661 13.055 ( 0.000 0.661 0.000) 0.661 13.657 ( 0.000 -0.439 0.000) 0.439 13.657 ( 0.000 0.439 0.000) 0.439 13.832 ( 0.000 -0.862 0.000) 0.862 13.832 ( 0.000 0.862 0.000) 0.862 14.113 ( 0.000 -0.629 0.000) 0.629 14.113 ( 0.000 0.629 0.000) 0.629 14.222 ( 0.000 -0.009 0.000) 0.009 14.222 ( 0.000 0.009 0.000) 0.009 15.044 ( 0.000 -1.091 0.000) 1.091 15.044 ( 0.000 1.091 0.000) 1.091 16.257 ( 0.000 -5.569 0.000) 5.569 16.257 ( 0.000 5.569 0.000) 5.569 16.355 ( 0.000 -1.668 0.000) 1.668 16.355 ( 0.000 1.668 0.000) 1.668 16.502 ( 0.000 -1.441 0.000) 1.441 16.502 ( 0.000 1.441 0.000) 1.441 16.646 ( 0.000 -0.974 0.000) 0.974 16.646 ( 0.000 0.974 0.000) 0.974 17.031 ( 0.000 -5.997 0.000) 5.997 17.031 ( 0.000 5.997 0.000) 5.997 17.507 ( 0.000 -3.694 0.000) 3.694 17.507 ( 0.000 3.694 0.000) 3.694 17.715 ( 0.000 -0.618 0.000) 0.618 17.715 ( 0.000 0.618 0.000) 0.618 18.226 ( 0.000 -4.997 0.000) 4.997 18.226 ( 0.000 4.997 0.000) 4.997 18.390 ( 0.000 -1.091 0.000) 1.091 18.390 ( 0.000 1.091 0.000) 1.091 18.447 ( 0.000 -0.209 0.000) 0.209 18.447 ( 0.000 0.209 0.000) 0.209 18.496 ( 0.000 -0.363 0.000) 0.363 18.496 ( 0.000 0.363 0.000) 0.363 18.758 ( 0.000 -9.411 0.000) 9.411 18.758 ( 0.000 9.411 0.000) 9.411 20.190 ( 0.000 -0.422 0.000) 0.422 20.190 ( 0.000 0.422 0.000) 0.422 20.393 ( 0.000 -5.521 0.000) 5.521 20.393 ( 0.000 5.521 0.000) 5.521 21.192 ( 0.000 -13.772 0.000) 13.772 21.192 ( 0.000 13.772 0.000) 13.772 21.248 ( 0.000 -3.235 0.000) 3.235 21.248 ( 0.000 3.235 0.000) 3.235 21.685 ( 0.000 -0.619 0.000) 0.619 21.685 ( 0.000 0.619 0.000) 0.619 22.544 ( 0.000 -1.970 0.000) 1.970 22.544 ( 0.000 1.970 0.000) 1.970 22.762 ( 0.000 -3.461 0.000) 3.461 22.762 ( 0.000 3.461 0.000) 3.461 24.994 ( 0.000 -15.968 0.000) 15.968 24.994 ( 0.000 15.968 0.000) 15.968 25.072 ( 0.000 -2.269 0.000) 2.269 25.072 ( 0.000 2.269 0.000) 2.269 25.139 ( 0.000 -1.623 0.000) 1.623 25.139 ( 0.000 1.623 0.000) 1.623 26.046 ( 0.000 -2.051 0.000) 2.051 26.046 ( 0.000 2.051 0.000) 2.051 ======================= Grid point 16 (10/36) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 15.386 -13.416 0.000) 20.414 1.063 ( 15.386 13.416 0.000) 20.414 1.184 ( 10.074 -22.578 0.000) 24.724 1.184 ( 10.074 22.578 0.000) 24.724 1.791 ( 10.653 -17.570 0.000) 20.547 1.791 ( 10.653 17.570 0.000) 20.547 1.964 ( 0.409 -1.030 0.000) 1.108 1.964 ( 0.409 1.030 0.000) 1.108 2.054 ( 3.523 -6.467 0.000) 7.365 2.054 ( 3.523 6.467 0.000) 7.365 2.177 ( 0.880 -3.316 0.000) 3.431 2.177 ( 0.880 3.316 0.000) 3.431 2.305 ( -5.138 -4.296 0.000) 6.698 2.305 ( -5.138 4.296 0.000) 6.698 2.461 ( -0.115 -1.513 0.000) 1.518 2.461 ( -0.115 1.513 0.000) 1.518 2.463 ( 5.923 -2.018 0.000) 6.258 2.463 ( 5.923 2.018 0.000) 6.258 2.617 ( 1.328 -8.220 0.000) 8.326 2.617 ( 1.328 8.220 0.000) 8.326 2.670 ( 7.285 -8.269 0.000) 11.021 2.670 ( 7.285 8.269 0.000) 11.021 2.769 ( 0.702 -4.344 0.000) 4.401 2.769 ( 0.702 4.344 0.000) 4.401 2.783 ( -2.989 -10.600 0.000) 11.014 2.783 ( -2.989 10.600 0.000) 11.014 2.934 ( -0.284 -0.235 0.000) 0.369 2.934 ( -0.284 0.235 0.000) 0.369 3.051 ( 0.331 -1.476 0.000) 1.512 3.051 ( 0.331 1.476 0.000) 1.512 3.222 ( 16.669 -3.434 0.000) 17.019 3.222 ( 16.669 3.434 0.000) 17.019 3.431 ( -1.148 -1.839 0.000) 2.168 3.431 ( -1.148 1.839 0.000) 2.168 3.597 ( -2.158 -2.270 0.000) 3.132 3.597 ( -2.158 2.270 0.000) 3.132 3.683 ( -16.165 -2.361 0.000) 16.337 3.683 ( -16.165 2.361 0.000) 16.337 4.096 ( -0.201 -4.960 0.000) 4.964 4.096 ( -0.201 4.960 0.000) 4.964 4.117 ( -7.776 -0.845 0.000) 7.822 4.117 ( -7.776 0.845 0.000) 7.822 4.284 ( -8.018 -4.197 0.000) 9.050 4.284 ( -8.018 4.197 0.000) 9.050 4.381 ( 8.253 -1.879 0.000) 8.465 4.381 ( 8.253 1.879 0.000) 8.465 4.637 ( 7.199 -1.612 0.000) 7.377 4.637 ( 7.199 1.612 0.000) 7.377 4.927 ( -2.611 -5.064 0.000) 5.697 4.927 ( -2.611 5.064 0.000) 5.697 5.284 ( -2.319 -2.843 0.000) 3.669 5.284 ( -2.319 2.843 0.000) 3.669 5.490 ( -3.334 -0.468 0.000) 3.367 5.490 ( -3.334 0.468 0.000) 3.367 5.636 ( 10.022 -1.931 0.000) 10.207 5.636 ( 10.022 1.931 0.000) 10.207 5.687 ( 0.442 -1.120 0.000) 1.204 5.687 ( 0.442 1.120 0.000) 1.204 5.695 ( 0.191 -0.187 0.000) 0.267 5.695 ( 0.191 0.187 0.000) 0.267 5.919 ( 7.975 -0.563 0.000) 7.995 5.919 ( 7.975 0.563 0.000) 7.995 6.348 ( 6.672 -0.524 0.000) 6.692 6.348 ( 6.672 0.524 0.000) 6.692 6.402 ( 3.223 -7.217 0.000) 7.904 6.402 ( 3.223 7.217 0.000) 7.904 6.440 ( -4.998 -2.674 0.000) 5.668 6.440 ( -4.998 2.674 0.000) 5.668 6.814 ( 0.570 -0.406 0.000) 0.699 6.814 ( 0.570 0.406 0.000) 0.699 6.939 ( 0.200 -4.994 0.000) 4.998 6.939 ( 0.200 4.994 0.000) 4.998 7.261 ( -2.472 -4.315 0.000) 4.973 7.261 ( -2.472 4.315 0.000) 4.973 7.275 ( 10.738 -4.012 0.000) 11.463 7.275 ( 10.738 4.012 0.000) 11.463 7.579 ( -1.780 -4.975 0.000) 5.284 7.579 ( -1.780 4.975 0.000) 5.284 7.962 ( -2.162 -1.297 0.000) 2.521 7.962 ( -2.162 1.297 0.000) 2.521 7.996 ( 6.039 -0.330 0.000) 6.048 7.996 ( 6.039 0.330 0.000) 6.048 8.388 ( -0.555 -1.955 0.000) 2.032 8.388 ( -0.555 1.955 0.000) 2.032 8.403 ( 14.125 -2.424 0.000) 14.332 8.403 ( 14.125 2.424 0.000) 14.332 8.546 ( -6.718 -3.217 0.000) 7.448 8.546 ( -6.718 3.217 0.000) 7.448 8.981 ( -4.994 -0.494 0.000) 5.018 8.981 ( -4.994 0.494 0.000) 5.018 9.057 ( 7.069 -2.130 0.000) 7.383 9.057 ( 7.069 2.130 0.000) 7.383 9.405 ( -2.650 -1.872 0.000) 3.245 9.405 ( -2.650 1.872 0.000) 3.245 9.514 ( -0.867 -0.506 0.000) 1.004 9.514 ( -0.867 0.506 0.000) 1.004 9.530 ( 17.582 -6.007 0.000) 18.580 9.530 ( 17.582 6.007 0.000) 18.580 10.013 ( -2.382 -1.666 0.000) 2.907 10.013 ( -2.382 1.666 0.000) 2.907 10.022 ( -0.442 -1.051 0.000) 1.140 10.022 ( -0.442 1.051 0.000) 1.140 10.274 ( 0.107 -1.594 0.000) 1.597 10.274 ( 0.107 1.594 0.000) 1.597 10.529 ( -1.693 -2.021 0.000) 2.637 10.529 ( -1.693 2.021 0.000) 2.637 10.781 ( -1.762 -0.736 0.000) 1.910 10.781 ( -1.762 0.736 0.000) 1.910 10.859 ( -3.609 -0.284 0.000) 3.620 10.859 ( -3.609 0.284 0.000) 3.620 11.404 ( -0.237 -0.191 0.000) 0.304 11.404 ( -0.237 0.191 0.000) 0.304 11.457 ( -9.321 -0.204 0.000) 9.324 11.457 ( -9.321 0.204 0.000) 9.324 11.672 ( 0.714 -2.334 0.000) 2.441 11.672 ( 0.714 2.334 0.000) 2.441 11.675 ( 4.556 -2.915 0.000) 5.409 11.675 ( 4.556 2.915 0.000) 5.409 11.908 ( -3.118 -3.772 0.000) 4.894 11.908 ( -3.118 3.772 0.000) 4.894 12.728 ( -7.844 -1.937 0.000) 8.080 12.728 ( -7.844 1.937 0.000) 8.080 12.892 ( -14.818 -3.243 0.000) 15.169 12.892 ( -14.818 3.243 0.000) 15.169 13.601 ( -2.770 -0.286 0.000) 2.785 13.601 ( -2.770 0.286 0.000) 2.785 13.873 ( 4.300 -0.753 0.000) 4.365 13.873 ( 4.300 0.753 0.000) 4.365 14.256 ( 11.474 -0.471 0.000) 11.484 14.256 ( 11.474 0.471 0.000) 11.484 14.423 ( 14.600 -15.450 0.000) 21.257 14.423 ( 14.600 15.450 0.000) 21.257 15.403 ( 26.202 -3.238 0.000) 26.402 15.403 ( 26.202 3.238 0.000) 26.402 16.288 ( 1.972 -3.517 0.000) 4.032 16.288 ( 1.972 3.517 0.000) 4.032 16.340 ( -1.511 -1.803 0.000) 2.352 16.340 ( -1.511 1.803 0.000) 2.352 16.469 ( -3.085 -1.285 0.000) 3.342 16.469 ( -3.085 1.285 0.000) 3.342 16.726 ( 7.885 -3.033 0.000) 8.448 16.726 ( 7.885 3.033 0.000) 8.448 17.256 ( 21.293 -9.383 0.000) 23.269 17.256 ( 21.293 9.383 0.000) 23.269 17.492 ( -1.552 -3.867 0.000) 4.167 17.492 ( -1.552 3.867 0.000) 4.167 17.704 ( -1.059 -0.829 0.000) 1.345 17.704 ( -1.059 0.829 0.000) 1.345 18.102 ( -8.000 -2.988 0.000) 8.540 18.102 ( -8.000 2.988 0.000) 8.540 18.331 ( -4.002 -0.710 0.000) 4.065 18.331 ( -4.002 0.710 0.000) 4.065 18.423 ( -5.301 -4.146 0.000) 6.729 18.423 ( -5.301 4.146 0.000) 6.729 18.481 ( 1.510 -0.726 0.000) 1.676 18.481 ( 1.510 0.726 0.000) 1.676 19.080 ( 27.804 -8.321 0.000) 29.022 19.080 ( 27.804 8.321 0.000) 29.022 20.183 ( -0.511 -0.078 0.000) 0.517 20.183 ( -0.511 0.078 0.000) 0.517 20.406 ( 1.320 -9.553 0.000) 9.644 20.406 ( 1.320 9.553 0.000) 9.644 21.243 ( -0.843 -3.192 0.000) 3.301 21.243 ( -0.843 3.192 0.000) 3.301 21.385 ( 17.586 -15.568 0.000) 23.487 21.385 ( 17.586 15.568 0.000) 23.487 21.724 ( 4.646 -2.472 0.000) 5.263 21.724 ( 4.646 2.472 0.000) 5.263 22.512 ( -3.476 -2.339 0.000) 4.190 22.512 ( -3.476 2.339 0.000) 4.190 22.765 ( 0.098 -3.741 0.000) 3.742 22.765 ( 0.098 3.741 0.000) 3.742 24.976 ( -1.572 -14.865 0.000) 14.948 24.976 ( -1.572 14.865 0.000) 14.948 25.065 ( -0.891 -2.628 0.000) 2.775 25.065 ( -0.891 2.628 0.000) 2.775 25.153 ( 1.272 -2.464 0.000) 2.773 25.153 ( 1.272 2.464 0.000) 2.773 25.846 ( -17.065 -5.486 0.000) 17.925 25.846 ( -17.065 5.486 0.000) 17.925 ======================= Grid point 18 (11/36) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 11.406 -15.069 0.000) 18.899 1.390 ( 11.406 15.069 0.000) 18.899 1.395 ( 16.544 -7.226 0.000) 18.053 1.395 ( 16.544 7.226 0.000) 18.053 1.930 ( 1.979 -4.048 0.000) 4.505 1.930 ( 1.979 4.048 0.000) 4.505 1.969 ( -0.225 -2.455 0.000) 2.466 1.969 ( -0.225 2.455 0.000) 2.466 2.082 ( -0.061 -2.977 0.000) 2.977 2.082 ( -0.061 2.977 0.000) 2.977 2.185 ( -0.257 -3.105 0.000) 3.116 2.185 ( -0.257 3.105 0.000) 3.116 2.191 ( -6.050 -3.224 0.000) 6.856 2.191 ( -6.050 3.224 0.000) 6.856 2.407 ( -5.824 -2.684 0.000) 6.413 2.407 ( -5.824 2.684 0.000) 6.413 2.622 ( 4.099 -3.459 0.000) 5.363 2.622 ( 4.099 3.459 0.000) 5.363 2.633 ( -0.144 -6.004 0.000) 6.006 2.633 ( -0.144 6.004 0.000) 6.006 2.686 ( -0.876 -11.382 0.000) 11.416 2.686 ( -0.876 11.382 0.000) 11.416 2.801 ( 0.655 -4.186 0.000) 4.237 2.801 ( 0.655 4.186 0.000) 4.237 2.897 ( -1.532 -6.538 0.000) 6.715 2.897 ( -1.532 6.538 0.000) 6.715 2.980 ( 18.260 -6.148 0.000) 19.267 2.980 ( 18.260 6.148 0.000) 19.267 3.082 ( 3.792 -3.571 0.000) 5.209 3.082 ( 3.792 3.571 0.000) 5.209 3.241 ( -6.256 -4.347 0.000) 7.619 3.241 ( -6.256 4.347 0.000) 7.619 3.477 ( -3.245 -0.555 0.000) 3.292 3.477 ( -3.245 0.555 0.000) 3.292 3.496 ( 4.913 -3.571 0.000) 6.073 3.496 ( 4.913 3.571 0.000) 6.073 3.831 ( 16.311 -1.843 0.000) 16.415 3.831 ( 16.311 1.843 0.000) 16.415 3.968 ( -6.080 -2.027 0.000) 6.408 3.968 ( -6.080 2.027 0.000) 6.408 4.002 ( -3.707 -3.872 0.000) 5.360 4.002 ( -3.707 3.872 0.000) 5.360 4.388 ( 13.498 -1.544 0.000) 13.586 4.388 ( 13.498 1.544 0.000) 13.586 4.492 ( 1.921 -1.122 0.000) 2.225 4.492 ( 1.921 1.122 0.000) 2.225 4.754 ( 4.377 -2.849 0.000) 5.223 4.754 ( 4.377 2.849 0.000) 5.223 4.880 ( -1.440 -1.815 0.000) 2.317 4.880 ( -1.440 1.815 0.000) 2.317 5.199 ( -6.006 -3.340 0.000) 6.873 5.199 ( -6.006 3.340 0.000) 6.873 5.467 ( 0.342 -1.627 0.000) 1.663 5.467 ( 0.342 1.627 0.000) 1.663 5.614 ( -5.216 -1.613 0.000) 5.460 5.614 ( -5.216 1.613 0.000) 5.460 5.680 ( -1.671 -0.550 0.000) 1.759 5.680 ( -1.671 0.550 0.000) 1.759 5.724 ( -0.423 -2.912 0.000) 2.942 5.724 ( -0.423 2.912 0.000) 2.942 6.038 ( 3.523 -1.311 0.000) 3.759 6.038 ( 3.523 1.311 0.000) 3.759 6.268 ( -7.167 -0.854 0.000) 7.218 6.268 ( -7.167 0.854 0.000) 7.218 6.520 ( 8.856 -3.234 0.000) 9.428 6.520 ( 8.856 3.234 0.000) 9.428 6.603 ( 12.991 -1.682 0.000) 13.099 6.603 ( 12.991 1.682 0.000) 13.099 6.846 ( 2.823 -2.539 0.000) 3.797 6.846 ( 2.823 2.539 0.000) 3.797 6.964 ( 0.329 -4.639 0.000) 4.651 6.964 ( 0.329 4.639 0.000) 4.651 7.206 ( -2.936 -3.945 0.000) 4.917 7.206 ( -2.936 3.945 0.000) 4.917 7.352 ( -4.237 -1.959 0.000) 4.668 7.352 ( -4.237 1.959 0.000) 4.668 7.539 ( 1.248 -7.773 0.000) 7.872 7.539 ( 1.248 7.773 0.000) 7.872 7.899 ( -4.245 -1.026 0.000) 4.367 7.899 ( -4.245 1.026 0.000) 4.367 8.261 ( 18.290 -2.326 0.000) 18.437 8.261 ( 18.290 2.326 0.000) 18.437 8.372 ( -1.079 -3.185 0.000) 3.362 8.372 ( -1.079 3.185 0.000) 3.362 8.379 ( -4.920 -1.625 0.000) 5.181 8.379 ( -4.920 1.625 0.000) 5.181 8.717 ( 12.883 -1.984 0.000) 13.035 8.717 ( 12.883 1.984 0.000) 13.035 8.845 ( -8.155 -2.454 0.000) 8.516 8.845 ( -8.155 2.454 0.000) 8.516 9.183 ( 5.567 -2.215 0.000) 5.991 9.183 ( 5.567 2.215 0.000) 5.991 9.343 ( -3.710 -2.334 0.000) 4.383 9.343 ( -3.710 2.334 0.000) 4.383 9.472 ( -3.764 -0.684 0.000) 3.826 9.472 ( -3.764 0.684 0.000) 3.826 9.770 ( 7.534 -5.661 0.000) 9.424 9.770 ( 7.534 5.661 0.000) 9.424 9.963 ( -2.511 -1.340 0.000) 2.846 9.963 ( -2.511 1.340 0.000) 2.846 10.013 ( -0.036 -0.709 0.000) 0.710 10.013 ( -0.036 0.709 0.000) 0.710 10.250 ( -2.899 -1.572 0.000) 3.298 10.250 ( -2.899 1.572 0.000) 3.298 10.513 ( 0.552 -1.161 0.000) 1.286 10.513 ( 0.552 1.161 0.000) 1.286 10.740 ( -2.149 -0.335 0.000) 2.175 10.740 ( -2.149 0.335 0.000) 2.175 10.787 ( -3.252 -0.761 0.000) 3.340 10.787 ( -3.252 0.761 0.000) 3.340 11.208 ( -16.280 -0.888 0.000) 16.304 11.208 ( -16.280 0.888 0.000) 16.304 11.435 ( 3.384 -0.259 0.000) 3.394 11.435 ( 3.384 0.259 0.000) 3.394 11.646 ( -2.445 -2.820 0.000) 3.732 11.646 ( -2.445 2.820 0.000) 3.732 11.777 ( 5.471 -2.811 0.000) 6.151 11.777 ( 5.471 2.811 0.000) 6.151 11.877 ( 0.246 -0.429 0.000) 0.495 11.877 ( 0.246 0.429 0.000) 0.495 12.524 ( -11.690 -2.036 0.000) 11.866 12.524 ( -11.690 2.036 0.000) 11.866 12.583 ( -14.972 -1.009 0.000) 15.006 12.583 ( -14.972 1.009 0.000) 15.006 13.608 ( 3.525 -0.053 0.000) 3.525 13.608 ( 3.525 0.053 0.000) 3.525 13.913 ( -0.911 -1.066 0.000) 1.402 13.913 ( -0.911 1.066 0.000) 1.402 14.482 ( 10.571 -2.790 0.000) 10.933 14.482 ( 10.571 2.790 0.000) 10.933 14.660 ( 7.853 -13.965 0.000) 16.021 14.660 ( 7.853 13.965 0.000) 16.021 15.816 ( 15.792 -2.748 0.000) 16.029 15.816 ( 15.792 2.748 0.000) 16.029 16.295 ( -3.180 -2.067 0.000) 3.793 16.295 ( -3.180 2.067 0.000) 3.793 16.305 ( -0.064 -1.194 0.000) 1.195 16.305 ( -0.064 1.194 0.000) 1.195 16.394 ( -4.157 -0.764 0.000) 4.227 16.394 ( -4.157 0.764 0.000) 4.227 16.935 ( 12.703 -3.568 0.000) 13.194 16.935 ( 12.703 3.568 0.000) 13.194 17.446 ( -3.250 -3.874 0.000) 5.057 17.446 ( -3.250 3.874 0.000) 5.057 17.610 ( 8.442 -6.608 0.000) 10.720 17.610 ( 8.442 6.608 0.000) 10.720 17.676 ( -1.714 -0.912 0.000) 1.942 17.676 ( -1.714 0.912 0.000) 1.942 18.044 ( 3.961 -10.040 0.000) 10.793 18.044 ( 3.961 10.040 0.000) 10.793 18.258 ( -3.302 -0.240 0.000) 3.311 18.258 ( -3.302 0.240 0.000) 3.311 18.335 ( -2.684 -3.364 0.000) 4.303 18.335 ( -2.684 3.364 0.000) 4.303 18.485 ( -1.234 -0.682 0.000) 1.410 18.485 ( -1.234 0.682 0.000) 1.410 19.710 ( 31.763 -8.410 0.000) 32.857 19.710 ( 31.763 8.410 0.000) 32.857 20.176 ( -0.133 -0.951 0.000) 0.960 20.176 ( -0.133 0.951 0.000) 0.960 20.466 ( 6.343 -11.135 0.000) 12.815 20.466 ( 6.343 11.135 0.000) 12.815 21.198 ( -4.199 -2.766 0.000) 5.028 21.198 ( -4.199 2.766 0.000) 5.028 21.695 ( 10.543 -9.411 0.000) 14.133 21.695 ( 10.543 9.411 0.000) 14.133 21.964 ( 20.886 -12.463 0.000) 24.321 21.964 ( 20.886 12.463 0.000) 24.321 22.396 ( -8.705 -3.280 0.000) 9.303 22.396 ( -8.705 3.280 0.000) 9.303 22.748 ( -2.449 -4.899 0.000) 5.477 22.748 ( -2.449 4.899 0.000) 5.477 24.944 ( -1.352 -11.959 0.000) 12.035 24.944 ( -1.352 11.959 0.000) 12.035 25.033 ( -2.386 -3.518 0.000) 4.250 25.033 ( -2.386 3.518 0.000) 4.250 25.181 ( 1.464 -4.331 0.000) 4.572 25.181 ( 1.464 4.331 0.000) 4.572 25.514 ( -14.689 -11.492 0.000) 18.651 25.514 ( -14.689 11.492 0.000) 18.651 ======================= Grid point 20 (12/36) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 11.950 -5.013 0.000) 12.959 1.630 ( 11.950 5.013 0.000) 12.959 1.665 ( 9.931 -4.141 0.000) 10.760 1.665 ( 9.931 4.141 0.000) 10.760 1.895 ( -4.411 -2.391 0.000) 5.017 1.895 ( -4.411 2.391 0.000) 5.017 1.916 ( -6.238 -4.526 0.000) 7.707 1.916 ( -6.238 4.526 0.000) 7.707 2.068 ( -0.562 -2.942 0.000) 2.996 2.068 ( -0.562 2.942 0.000) 2.996 2.090 ( -3.273 -3.511 0.000) 4.800 2.090 ( -3.273 3.511 0.000) 4.800 2.196 ( 1.734 -3.287 0.000) 3.716 2.196 ( 1.734 3.287 0.000) 3.716 2.267 ( -6.193 -1.844 0.000) 6.462 2.267 ( -6.193 1.844 0.000) 6.462 2.630 ( 0.301 -4.921 0.000) 4.930 2.630 ( 0.301 4.921 0.000) 4.930 2.641 ( -0.389 -2.107 0.000) 2.143 2.641 ( -0.389 2.107 0.000) 2.143 2.688 ( 1.007 -8.886 0.000) 8.942 2.688 ( 1.007 8.886 0.000) 8.942 2.735 ( -3.827 -7.222 0.000) 8.173 2.735 ( -3.827 7.222 0.000) 8.173 2.971 ( 5.754 -2.866 0.000) 6.428 2.971 ( 5.754 2.866 0.000) 6.428 3.079 ( -4.915 -2.575 0.000) 5.549 3.079 ( -4.915 2.575 0.000) 5.549 3.184 ( 5.291 -4.505 0.000) 6.949 3.184 ( 5.291 4.505 0.000) 6.949 3.240 ( 0.917 -4.299 0.000) 4.396 3.240 ( 0.917 4.299 0.000) 4.396 3.515 ( 5.155 -5.480 0.000) 7.523 3.515 ( 5.155 5.480 0.000) 7.523 3.596 ( 0.443 -6.503 0.000) 6.518 3.596 ( 0.443 6.503 0.000) 6.518 3.875 ( 1.878 -6.694 0.000) 6.952 3.875 ( 1.878 6.694 0.000) 6.952 3.905 ( -0.778 -3.030 0.000) 3.129 3.905 ( -0.778 3.030 0.000) 3.129 4.195 ( 12.246 -1.394 0.000) 12.326 4.195 ( 12.246 1.394 0.000) 12.326 4.420 ( -9.118 -0.585 0.000) 9.137 4.420 ( -9.118 0.585 0.000) 9.137 4.665 ( 12.242 -1.095 0.000) 12.291 4.665 ( 12.242 1.095 0.000) 12.291 4.798 ( -1.091 -0.150 0.000) 1.101 4.798 ( -1.091 0.150 0.000) 1.101 4.915 ( 5.542 -0.666 0.000) 5.582 4.915 ( 5.542 0.666 0.000) 5.582 5.060 ( -7.938 -1.938 0.000) 8.171 5.060 ( -7.938 1.938 0.000) 8.171 5.470 ( -0.094 -2.900 0.000) 2.901 5.470 ( -0.094 2.900 0.000) 2.901 5.507 ( -4.408 -3.221 0.000) 5.459 5.507 ( -4.408 3.221 0.000) 5.459 5.658 ( 0.472 -0.718 0.000) 0.859 5.658 ( 0.472 0.718 0.000) 0.859 5.693 ( -2.290 -2.450 0.000) 3.354 5.693 ( -2.290 2.450 0.000) 3.354 6.087 ( 2.446 -0.788 0.000) 2.569 6.087 ( 2.446 0.788 0.000) 2.569 6.152 ( -4.479 -2.198 0.000) 4.989 6.152 ( -4.479 2.198 0.000) 4.989 6.712 ( 9.178 -2.782 0.000) 9.591 6.712 ( 9.178 2.782 0.000) 9.591 6.800 ( 3.661 -4.156 0.000) 5.538 6.800 ( 3.661 4.156 0.000) 5.538 6.917 ( 3.690 -3.506 0.000) 5.090 6.917 ( 3.690 3.506 0.000) 5.090 6.939 ( -0.760 -3.757 0.000) 3.833 6.939 ( -0.760 3.757 0.000) 3.833 7.151 ( -1.979 -2.101 0.000) 2.886 7.151 ( -1.979 2.101 0.000) 2.886 7.206 ( -7.704 -2.090 0.000) 7.983 7.206 ( -7.704 2.090 0.000) 7.983 7.636 ( 7.665 -4.351 0.000) 8.813 7.636 ( 7.665 4.351 0.000) 8.813 7.790 ( -7.015 -0.642 0.000) 7.045 7.790 ( -7.015 0.642 0.000) 7.045 8.321 ( -0.503 -4.538 0.000) 4.566 8.321 ( -0.503 4.538 0.000) 4.566 8.342 ( -1.887 -4.796 0.000) 5.154 8.342 ( -1.887 4.796 0.000) 5.154 8.574 ( 10.085 -5.781 0.000) 11.625 8.574 ( 10.085 5.781 0.000) 11.625 8.702 ( -5.821 -5.723 0.000) 8.163 8.702 ( -5.821 5.723 0.000) 8.163 8.971 ( 14.512 -5.814 0.000) 15.633 8.971 ( 14.512 5.814 0.000) 15.633 9.231 ( -9.359 -5.090 0.000) 10.653 9.231 ( -9.359 5.090 0.000) 10.653 9.276 ( 4.173 -0.451 0.000) 4.198 9.276 ( 4.173 0.451 0.000) 4.198 9.368 ( -5.763 -0.678 0.000) 5.803 9.368 ( -5.763 0.678 0.000) 5.803 9.881 ( 3.656 -2.665 0.000) 4.524 9.881 ( 3.656 2.665 0.000) 4.524 9.922 ( -1.615 -0.385 0.000) 1.661 9.922 ( -1.615 0.385 0.000) 1.661 10.048 ( 4.445 -0.525 0.000) 4.475 10.048 ( 4.445 0.525 0.000) 4.475 10.162 ( -5.763 -2.064 0.000) 6.121 10.162 ( -5.763 2.064 0.000) 6.121 10.589 ( 8.319 -0.137 0.000) 8.320 10.589 ( 8.319 0.137 0.000) 8.320 10.712 ( -0.422 -0.499 0.000) 0.654 10.712 ( -0.422 0.499 0.000) 0.654 10.734 ( -2.023 -0.445 0.000) 2.071 10.734 ( -2.023 0.445 0.000) 2.071 10.857 ( -17.521 -1.603 0.000) 17.594 10.857 ( -17.521 1.603 0.000) 17.594 11.521 ( 4.725 -0.366 0.000) 4.739 11.521 ( 4.725 0.366 0.000) 4.739 11.597 ( -2.896 -1.152 0.000) 3.117 11.597 ( -2.896 1.152 0.000) 3.117 11.874 ( 3.776 -1.833 0.000) 4.197 11.874 ( 3.776 1.833 0.000) 4.197 11.898 ( 1.049 -1.511 0.000) 1.839 11.898 ( 1.049 1.511 0.000) 1.839 12.332 ( -6.072 -1.824 0.000) 6.340 12.332 ( -6.072 1.824 0.000) 6.340 12.349 ( -7.740 -1.272 0.000) 7.844 12.349 ( -7.740 1.272 0.000) 7.844 13.717 ( 6.759 -0.449 0.000) 6.774 13.717 ( 6.759 0.449 0.000) 6.774 13.844 ( -5.596 -0.931 0.000) 5.672 13.844 ( -5.596 0.931 0.000) 5.672 14.650 ( 6.377 -5.845 0.000) 8.650 14.650 ( 6.377 5.845 0.000) 8.650 14.723 ( -0.783 -9.529 0.000) 9.561 14.723 ( -0.783 9.529 0.000) 9.561 16.056 ( 9.495 -0.539 0.000) 9.511 16.056 ( 9.495 0.539 0.000) 9.511 16.206 ( -6.012 -1.445 0.000) 6.183 16.206 ( -6.012 1.445 0.000) 6.183 16.303 ( 0.262 -0.598 0.000) 0.653 16.303 ( 0.262 0.598 0.000) 0.653 16.327 ( -2.350 -0.628 0.000) 2.433 16.327 ( -2.350 0.628 0.000) 2.433 17.181 ( 11.276 -2.362 0.000) 11.521 17.181 ( 11.276 2.362 0.000) 11.521 17.355 ( -6.419 -2.965 0.000) 7.071 17.355 ( -6.419 2.965 0.000) 7.071 17.646 ( -0.686 -0.608 0.000) 0.916 17.646 ( -0.686 0.608 0.000) 0.916 17.646 ( -0.953 -0.328 0.000) 1.008 17.646 ( -0.953 0.328 0.000) 1.008 18.153 ( 3.926 -7.467 0.000) 8.437 18.153 ( 3.926 7.467 0.000) 8.437 18.204 ( -2.277 -2.078 0.000) 3.083 18.204 ( -2.277 2.078 0.000) 3.083 18.346 ( 3.700 -1.458 0.000) 3.977 18.346 ( 3.700 1.458 0.000) 3.977 18.432 ( -3.988 -0.209 0.000) 3.993 18.432 ( -3.988 0.209 0.000) 3.993 20.110 ( 8.246 -4.608 0.000) 9.446 20.110 ( 8.246 4.608 0.000) 9.446 20.173 ( -0.620 -2.658 0.000) 2.729 20.173 ( -0.620 2.658 0.000) 2.729 20.735 ( 19.337 -7.564 0.000) 20.764 20.735 ( 19.337 7.564 0.000) 20.764 21.053 ( -11.463 -0.092 0.000) 11.463 21.053 ( -11.463 0.092 0.000) 11.463 21.901 ( 12.296 -5.817 0.000) 13.602 21.901 ( 12.296 5.817 0.000) 13.602 22.170 ( -13.793 -4.490 0.000) 14.506 22.170 ( -13.793 4.490 0.000) 14.506 22.375 ( 18.261 -12.754 0.000) 22.274 22.375 ( 18.261 12.754 0.000) 22.274 22.642 ( -9.060 -7.984 0.000) 12.076 22.642 ( -9.060 7.984 0.000) 12.076 24.937 ( 0.902 -8.267 0.000) 8.316 24.937 ( 0.902 8.267 0.000) 8.316 24.978 ( -2.881 -5.201 0.000) 5.945 24.978 ( -2.881 5.201 0.000) 5.945 25.216 ( 2.450 -6.965 0.000) 7.383 25.216 ( 2.450 6.965 0.000) 7.383 25.302 ( -7.067 -10.167 0.000) 12.381 25.302 ( -7.067 10.167 0.000) 12.381 ======================= Grid point 35 (13/36) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 0.000 0.000 23.872) 23.872 0.624 ( 0.000 0.000 29.695) 29.695 0.893 ( 0.000 0.000 42.447) 42.447 1.454 ( 0.000 0.000 18.347) 18.347 1.779 ( 0.000 0.000 -5.219) 5.219 1.843 ( 0.000 0.000 7.644) 7.644 1.877 ( 0.000 0.000 -16.656) 16.656 1.957 ( 0.000 0.000 -6.012) 6.012 1.971 ( 0.000 0.000 0.759) 0.759 2.089 ( 0.000 0.000 -8.246) 8.246 2.094 ( 0.000 0.000 -0.077) 0.077 2.249 ( 0.000 0.000 0.467) 0.467 2.269 ( 0.000 0.000 5.212) 5.212 2.274 ( 0.000 0.000 -0.909) 0.909 2.326 ( 0.000 0.000 -0.622) 0.622 2.397 ( 0.000 0.000 -1.358) 1.358 2.398 ( 0.000 0.000 4.687) 4.687 2.431 ( 0.000 0.000 1.750) 1.750 2.544 ( 0.000 0.000 -2.797) 2.797 2.626 ( 0.000 0.000 -0.913) 0.913 2.690 ( 0.000 0.000 -0.116) 0.116 2.764 ( 0.000 0.000 0.329) 0.329 2.809 ( 0.000 0.000 -2.315) 2.315 2.820 ( 0.000 0.000 -4.252) 4.252 2.939 ( 0.000 0.000 -0.009) 0.009 2.970 ( 0.000 0.000 3.245) 3.245 3.048 ( 0.000 0.000 1.820) 1.820 3.068 ( 0.000 0.000 0.809) 0.809 3.089 ( 0.000 0.000 5.633) 5.633 3.131 ( 0.000 0.000 -1.276) 1.276 3.137 ( 0.000 0.000 6.124) 6.124 3.247 ( 0.000 0.000 0.768) 0.768 3.265 ( 0.000 0.000 -2.609) 2.609 3.453 ( 0.000 0.000 0.865) 0.865 3.543 ( 0.000 0.000 0.996) 0.996 3.657 ( 0.000 0.000 -16.833) 16.833 3.670 ( 0.000 0.000 -4.576) 4.576 3.774 ( 0.000 0.000 5.173) 5.173 3.933 ( 0.000 0.000 -6.308) 6.308 3.996 ( 0.000 0.000 2.487) 2.487 4.003 ( 0.000 0.000 -9.017) 9.017 4.077 ( 0.000 0.000 -11.062) 11.062 4.161 ( 0.000 0.000 5.757) 5.757 4.197 ( 0.000 0.000 4.020) 4.020 4.358 ( 0.000 0.000 -3.261) 3.261 4.372 ( 0.000 0.000 1.891) 1.891 4.390 ( 0.000 0.000 -1.370) 1.370 4.551 ( 0.000 0.000 -0.736) 0.736 4.928 ( 0.000 0.000 3.029) 3.029 5.023 ( 0.000 0.000 -3.061) 3.061 5.193 ( 0.000 0.000 -0.552) 0.552 5.205 ( 0.000 0.000 -11.406) 11.406 5.316 ( 0.000 0.000 -0.633) 0.633 5.502 ( 0.000 0.000 3.999) 3.999 5.532 ( 0.000 0.000 2.626) 2.626 5.619 ( 0.000 0.000 2.839) 2.839 5.710 ( 0.000 0.000 7.100) 7.100 5.759 ( 0.000 0.000 4.054) 4.054 5.806 ( 0.000 0.000 -0.702) 0.702 5.807 ( 0.000 0.000 0.871) 0.871 5.816 ( 0.000 0.000 3.497) 3.497 6.072 ( 0.000 0.000 -5.292) 5.292 6.084 ( 0.000 0.000 -4.248) 4.248 6.322 ( 0.000 0.000 8.586) 8.586 6.370 ( 0.000 0.000 5.513) 5.513 6.561 ( 0.000 0.000 -9.358) 9.358 6.602 ( 0.000 0.000 9.539) 9.539 6.643 ( 0.000 0.000 -0.500) 0.500 6.704 ( 0.000 0.000 1.495) 1.495 6.754 ( 0.000 0.000 -5.145) 5.145 6.906 ( 0.000 0.000 0.316) 0.316 6.917 ( 0.000 0.000 -1.154) 1.154 6.949 ( 0.000 0.000 -7.021) 7.021 7.128 ( 0.000 0.000 2.288) 2.288 7.376 ( 0.000 0.000 -0.417) 0.417 7.486 ( 0.000 0.000 3.912) 3.912 7.490 ( 0.000 0.000 -4.762) 4.762 7.546 ( 0.000 0.000 7.006) 7.006 7.908 ( 0.000 0.000 -0.493) 0.493 7.964 ( 0.000 0.000 3.608) 3.608 7.983 ( 0.000 0.000 1.191) 1.191 8.026 ( 0.000 0.000 2.102) 2.102 8.100 ( 0.000 0.000 0.616) 0.616 8.208 ( 0.000 0.000 -7.646) 7.646 8.370 ( 0.000 0.000 -2.563) 2.563 8.481 ( 0.000 0.000 -5.383) 5.383 8.590 ( 0.000 0.000 -7.481) 7.481 8.684 ( 0.000 0.000 -4.895) 4.895 8.955 ( 0.000 0.000 -2.549) 2.549 8.983 ( 0.000 0.000 0.495) 0.495 9.022 ( 0.000 0.000 -0.824) 0.824 9.053 ( 0.000 0.000 8.128) 8.128 9.286 ( 0.000 0.000 3.883) 3.883 9.365 ( 0.000 0.000 5.050) 5.050 9.474 ( 0.000 0.000 -3.606) 3.606 9.546 ( 0.000 0.000 -1.321) 1.321 9.551 ( 0.000 0.000 10.008) 10.008 9.561 ( 0.000 0.000 6.593) 6.593 9.872 ( 0.000 0.000 -5.575) 5.575 9.961 ( 0.000 0.000 -3.601) 3.601 10.146 ( 0.000 0.000 5.771) 5.771 10.333 ( 0.000 0.000 3.449) 3.449 10.338 ( 0.000 0.000 12.439) 12.439 10.467 ( 0.000 0.000 1.410) 1.410 10.614 ( 0.000 0.000 -1.566) 1.566 10.715 ( 0.000 0.000 -9.047) 9.047 10.778 ( 0.000 0.000 2.116) 2.116 10.829 ( 0.000 0.000 -5.337) 5.337 10.892 ( 0.000 0.000 -1.433) 1.433 11.146 ( 0.000 0.000 0.286) 0.286 11.270 ( 0.000 0.000 -2.689) 2.689 11.413 ( 0.000 0.000 -11.919) 11.919 11.444 ( 0.000 0.000 1.778) 1.778 11.496 ( 0.000 0.000 6.321) 6.321 11.579 ( 0.000 0.000 -1.493) 1.493 11.663 ( 0.000 0.000 2.184) 2.184 11.730 ( 0.000 0.000 11.839) 11.839 11.982 ( 0.000 0.000 12.777) 12.777 12.110 ( 0.000 0.000 3.926) 3.926 12.355 ( 0.000 0.000 0.273) 0.273 12.771 ( 0.000 0.000 -6.708) 6.708 12.869 ( 0.000 0.000 -1.086) 1.086 12.967 ( 0.000 0.000 -7.552) 7.552 13.093 ( 0.000 0.000 -8.728) 8.728 13.670 ( 0.000 0.000 2.217) 2.217 13.819 ( 0.000 0.000 1.009) 1.009 13.912 ( 0.000 0.000 5.462) 5.462 13.931 ( 0.000 0.000 -1.573) 1.573 13.933 ( 0.000 0.000 4.068) 4.068 13.992 ( 0.000 0.000 -7.970) 7.970 14.122 ( 0.000 0.000 -0.888) 0.888 14.235 ( 0.000 0.000 -0.640) 0.640 15.140 ( 0.000 0.000 11.864) 11.864 15.154 ( 0.000 0.000 8.329) 8.329 15.989 ( 0.000 0.000 -11.441) 11.441 16.082 ( 0.000 0.000 -11.580) 11.580 16.452 ( 0.000 0.000 3.413) 3.413 16.528 ( 0.000 0.000 4.680) 4.680 16.541 ( 0.000 0.000 0.558) 0.558 16.635 ( 0.000 0.000 2.599) 2.599 16.670 ( 0.000 0.000 0.848) 0.848 16.796 ( 0.000 0.000 -0.560) 0.560 16.832 ( 0.000 0.000 -4.934) 4.934 17.069 ( 0.000 0.000 -5.767) 5.767 17.517 ( 0.000 0.000 7.308) 7.308 17.666 ( 0.000 0.000 2.333) 2.333 17.713 ( 0.000 0.000 2.683) 2.683 17.813 ( 0.000 0.000 -1.855) 1.855 18.107 ( 0.000 0.000 1.633) 1.633 18.170 ( 0.000 0.000 0.022) 0.022 18.200 ( 0.000 0.000 -8.202) 8.202 18.241 ( 0.000 0.000 -7.174) 7.174 18.438 ( 0.000 0.000 1.205) 1.205 18.520 ( 0.000 0.000 -0.722) 0.722 18.616 ( 0.000 0.000 8.808) 8.808 18.661 ( 0.000 0.000 13.297) 13.297 19.076 ( 0.000 0.000 2.691) 2.691 19.844 ( 0.000 0.000 1.799) 1.799 20.033 ( 0.000 0.000 -2.753) 2.753 20.140 ( 0.000 0.000 -3.176) 3.176 20.184 ( 0.000 0.000 0.125) 0.125 20.488 ( 0.000 0.000 -26.758) 26.758 21.155 ( 0.000 0.000 1.041) 1.041 21.339 ( 0.000 0.000 -3.031) 3.031 21.389 ( 0.000 0.000 4.016) 4.016 21.443 ( 0.000 0.000 13.285) 13.285 21.596 ( 0.000 0.000 -0.926) 0.926 21.703 ( 0.000 0.000 0.096) 0.096 22.541 ( 0.000 0.000 3.779) 3.779 22.649 ( 0.000 0.000 1.251) 1.251 22.783 ( 0.000 0.000 -1.902) 1.902 22.815 ( 0.000 0.000 -2.423) 2.423 24.553 ( 0.000 0.000 1.211) 1.211 24.647 ( 0.000 0.000 -0.936) 0.936 25.062 ( 0.000 0.000 0.338) 0.338 25.096 ( 0.000 0.000 -0.425) 0.425 25.126 ( 0.000 0.000 0.035) 0.035 25.173 ( 0.000 0.000 -0.888) 0.888 25.431 ( 0.000 0.000 4.697) 4.697 25.907 ( 0.000 0.000 -6.414) 6.414 ======================= Grid point 36 (14/36) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 19.667 0.000 15.472) 25.023 0.788 ( 20.128 0.000 17.496) 26.670 1.350 ( 31.695 0.000 25.667) 40.784 1.529 ( 6.618 0.000 16.312) 17.603 1.813 ( 3.484 0.000 -5.279) 6.325 1.915 ( 1.871 0.000 -10.105) 10.277 1.939 ( -1.612 0.000 -4.796) 5.059 1.973 ( 6.720 0.000 1.983) 7.006 2.016 ( 4.972 0.000 -6.709) 8.350 2.089 ( -0.066 0.000 -0.179) 0.191 2.094 ( 0.126 0.000 -5.508) 5.509 2.224 ( -2.612 0.000 0.413) 2.644 2.240 ( -3.034 0.000 -0.737) 3.123 2.279 ( 2.412 0.000 -0.079) 2.413 2.343 ( -0.821 0.000 4.594) 4.667 2.412 ( 2.424 0.000 -0.923) 2.594 2.436 ( 3.891 0.000 1.554) 4.190 2.453 ( 1.907 0.000 0.332) 1.935 2.502 ( 0.023 0.000 -0.365) 0.366 2.608 ( -2.693 0.000 -3.167) 4.157 2.617 ( -2.961 0.000 4.432) 5.330 2.734 ( -2.351 0.000 4.415) 5.002 2.837 ( 1.519 0.000 -2.180) 2.657 2.864 ( -0.274 0.000 1.842) 1.862 2.893 ( -3.786 0.000 -0.437) 3.811 2.928 ( 0.440 0.000 -1.948) 1.997 3.035 ( 1.930 0.000 0.169) 1.937 3.097 ( 0.071 0.000 -2.412) 2.413 3.097 ( 3.357 0.000 5.890) 6.780 3.224 ( -0.463 0.000 0.948) 1.055 3.229 ( -0.238 0.000 -2.552) 2.563 3.293 ( 8.174 0.000 -1.322) 8.281 3.293 ( 13.624 0.000 -0.484) 13.633 3.485 ( -12.366 0.000 -13.854) 18.570 3.492 ( 1.861 0.000 -1.625) 2.471 3.493 ( 0.393 0.000 0.027) 0.394 3.628 ( -11.865 0.000 0.508) 11.876 3.783 ( -3.429 0.000 0.604) 3.482 3.784 ( 7.181 0.000 0.151) 7.183 3.928 ( -4.849 0.000 1.358) 5.035 4.066 ( -5.478 0.000 0.378) 5.491 4.147 ( 1.256 0.000 1.406) 1.885 4.176 ( 9.467 0.000 -3.178) 9.986 4.211 ( -0.639 0.000 0.985) 1.174 4.328 ( 3.994 0.000 -4.923) 6.340 4.368 ( 5.289 0.000 -1.421) 5.477 4.598 ( 2.901 0.000 -2.445) 3.794 4.619 ( 11.541 0.000 -3.300) 12.003 4.954 ( 2.359 0.000 5.514) 5.997 5.096 ( -5.639 0.000 -3.970) 6.897 5.185 ( 2.679 0.000 -8.353) 8.772 5.259 ( 1.295 0.000 -0.351) 1.342 5.329 ( 5.262 0.000 -7.187) 8.907 5.456 ( -2.336 0.000 2.290) 3.272 5.588 ( 0.421 0.000 -1.086) 1.165 5.655 ( -0.266 0.000 -1.558) 1.581 5.697 ( -2.383 0.000 3.464) 4.205 5.735 ( -1.648 0.000 2.477) 2.975 5.821 ( 5.707 0.000 8.268) 10.046 5.864 ( 3.122 0.000 -0.334) 3.139 5.886 ( 6.540 0.000 2.472) 6.991 5.958 ( -6.746 0.000 3.573) 7.634 6.152 ( 6.756 0.000 -4.540) 8.140 6.360 ( -1.912 0.000 4.314) 4.718 6.393 ( 6.076 0.000 7.578) 9.713 6.552 ( 0.226 0.000 -6.128) 6.132 6.562 ( -4.494 0.000 6.096) 7.573 6.623 ( -2.304 0.000 -1.537) 2.769 6.685 ( 2.268 0.000 0.615) 2.349 6.789 ( -3.965 0.000 -1.022) 4.095 6.800 ( 8.376 0.000 4.082) 9.318 6.981 ( 1.498 0.000 -0.592) 1.611 7.079 ( 9.980 0.000 -4.092) 10.786 7.207 ( 2.037 0.000 0.437) 2.084 7.472 ( 2.971 0.000 11.065) 11.457 7.472 ( -4.912 0.000 -3.003) 5.758 7.525 ( -0.362 0.000 6.728) 6.738 7.629 ( 3.388 0.000 -13.714) 14.127 7.882 ( -2.178 0.000 0.633) 2.268 7.944 ( -1.072 0.000 2.246) 2.489 8.031 ( 5.245 0.000 1.644) 5.497 8.106 ( 8.422 0.000 1.182) 8.505 8.251 ( 1.780 0.000 -8.212) 8.403 8.298 ( 15.115 0.000 -6.554) 16.475 8.393 ( 5.131 0.000 -2.110) 5.548 8.423 ( -3.968 0.000 -3.632) 5.379 8.559 ( -0.125 0.000 -1.810) 1.814 8.618 ( -5.656 0.000 1.184) 5.779 8.960 ( -2.677 0.000 -1.394) 3.018 8.989 ( -3.414 0.000 3.143) 4.640 9.044 ( 3.333 0.000 -0.228) 3.340 9.095 ( 4.967 0.000 -2.370) 5.503 9.349 ( 1.513 0.000 -4.107) 4.377 9.418 ( 3.898 0.000 -0.020) 3.898 9.450 ( 0.751 0.000 -1.987) 2.124 9.498 ( -3.250 0.000 1.169) 3.454 9.546 ( -1.230 0.000 3.424) 3.638 9.635 ( 5.069 0.000 -1.103) 5.187 9.881 ( 0.597 0.000 -4.978) 5.014 9.970 ( 0.699 0.000 -3.899) 3.961 10.118 ( -3.174 0.000 5.232) 6.120 10.290 ( -4.471 0.000 8.362) 9.482 10.307 ( -3.083 0.000 3.646) 4.775 10.360 ( -7.988 0.000 1.018) 8.053 10.584 ( -2.241 0.000 1.619) 2.764 10.708 ( -1.169 0.000 -6.733) 6.834 10.759 ( -2.986 0.000 -1.146) 3.199 10.781 ( -4.823 0.000 -4.948) 6.909 10.869 ( -0.418 0.000 4.611) 4.630 11.044 ( -6.304 0.000 10.939) 12.626 11.289 ( 1.248 0.000 -2.326) 2.640 11.343 ( -4.506 0.000 -4.750) 6.547 11.511 ( 5.545 0.000 0.123) 5.546 11.559 ( -6.487 0.000 6.692) 9.320 11.559 ( 2.431 0.000 2.948) 3.821 11.599 ( 1.475 0.000 -0.975) 1.768 11.793 ( 3.276 0.000 6.009) 6.844 11.905 ( -12.660 0.000 15.084) 19.692 11.979 ( -9.840 0.000 16.911) 19.565 12.027 ( -7.945 0.000 4.270) 9.019 12.616 ( -12.086 0.000 -5.453) 13.259 12.696 ( -7.559 0.000 -6.724) 10.117 12.750 ( -10.685 0.000 -3.076) 11.119 12.869 ( -15.654 0.000 -9.324) 18.221 13.618 ( -2.735 0.000 2.456) 3.676 13.658 ( -4.873 0.000 4.241) 6.460 13.852 ( 1.301 0.000 -1.415) 1.922 13.870 ( 1.924 0.000 -0.749) 2.064 14.149 ( 13.521 0.000 1.567) 13.612 14.244 ( 15.740 0.000 -2.342) 15.913 14.291 ( 12.663 0.000 4.384) 13.400 14.996 ( 11.443 0.000 -15.027) 18.888 15.354 ( 18.421 0.000 6.672) 19.592 15.458 ( 27.041 0.000 0.021) 27.041 16.108 ( 7.629 0.000 -11.463) 13.770 16.145 ( 5.208 0.000 -9.101) 10.485 16.416 ( -4.625 0.000 3.503) 5.802 16.467 ( -4.297 0.000 1.995) 4.738 16.482 ( -6.975 0.000 5.032) 8.600 16.513 ( -3.412 0.000 1.523) 3.736 16.710 ( 6.022 0.000 4.259) 7.376 16.805 ( 12.558 0.000 1.484) 12.646 17.124 ( 6.636 0.000 -5.879) 8.866 17.346 ( 13.395 0.000 -17.986) 22.425 17.515 ( 2.500 0.000 -1.444) 2.887 17.642 ( -2.658 0.000 1.764) 3.190 17.701 ( -0.911 0.000 2.408) 2.575 17.824 ( -1.574 0.000 -6.029) 6.231 17.997 ( -9.466 0.000 -1.318) 9.558 18.108 ( 2.630 0.000 -1.543) 3.049 18.171 ( -4.336 0.000 -6.536) 7.844 18.228 ( -2.417 0.000 -6.519) 6.953 18.451 ( 1.116 0.000 1.043) 1.528 18.455 ( -3.032 0.000 3.659) 4.752 18.650 ( -3.511 0.000 9.148) 9.798 18.673 ( -0.295 0.000 4.471) 4.480 19.243 ( 19.091 0.000 7.079) 20.362 19.853 ( 3.029 0.000 3.626) 4.725 20.127 ( 6.051 0.000 -3.842) 7.168 20.188 ( 1.557 0.000 -0.604) 1.670 20.210 ( 4.009 0.000 0.645) 4.061 20.498 ( 6.775 0.000 -17.535) 18.799 21.186 ( 3.428 0.000 0.334) 3.444 21.241 ( -3.868 0.000 4.338) 5.812 21.390 ( 0.370 0.000 4.409) 4.425 21.620 ( 3.392 0.000 -0.685) 3.461 21.753 ( 5.037 0.000 0.675) 5.082 22.017 ( 29.411 0.000 -23.879) 37.884 22.504 ( -3.898 0.000 4.041) 5.615 22.636 ( -1.699 0.000 1.370) 2.183 22.749 ( -2.809 0.000 -1.147) 3.034 22.825 ( 0.702 0.000 -2.593) 2.686 24.574 ( 2.379 0.000 0.862) 2.530 24.659 ( 1.368 0.000 -0.915) 1.646 25.022 ( -3.023 0.000 1.503) 3.376 25.079 ( -1.715 0.000 -0.567) 1.807 25.135 ( 0.755 0.000 0.105) 0.762 25.203 ( 2.683 0.000 -1.227) 2.951 25.397 ( -3.713 0.000 3.688) 5.234 25.829 ( -7.500 0.000 -5.828) 9.498 ======================= Grid point 37 (15/36) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 23.575 0.000 8.488) 25.056 1.226 ( 21.372 0.000 5.661) 22.109 1.671 ( 7.229 0.000 10.771) 12.972 1.805 ( 3.160 0.000 2.451) 3.999 1.881 ( 2.053 0.000 -4.539) 4.981 1.885 ( 8.762 0.000 7.785) 11.721 1.989 ( -1.887 0.000 -1.372) 2.333 2.013 ( 2.894 0.000 -9.364) 9.801 2.077 ( -2.024 0.000 -1.767) 2.687 2.080 ( -1.177 0.000 2.004) 2.324 2.126 ( 4.094 0.000 -5.380) 6.760 2.168 ( -1.224 0.000 -1.126) 1.663 2.191 ( -1.871 0.000 -2.132) 2.837 2.275 ( -4.004 0.000 -0.872) 4.098 2.314 ( -3.274 0.000 -2.182) 3.934 2.407 ( 0.564 0.000 -2.222) 2.292 2.441 ( -0.896 0.000 -1.190) 1.489 2.480 ( -0.437 0.000 -2.034) 2.081 2.549 ( -2.383 0.000 5.103) 5.632 2.569 ( -0.614 0.000 -1.278) 1.418 2.686 ( -4.625 0.000 6.070) 7.631 2.765 ( 5.743 0.000 0.713) 5.787 2.785 ( 7.999 0.000 0.407) 8.009 2.855 ( 0.647 0.000 -1.662) 1.783 2.902 ( 2.467 0.000 1.788) 3.047 2.962 ( 2.136 0.000 -3.024) 3.702 3.054 ( 0.605 0.000 -4.401) 4.442 3.054 ( -4.165 0.000 -2.711) 4.969 3.122 ( -8.234 0.000 -6.187) 10.299 3.180 ( -0.214 0.000 -1.123) 1.143 3.207 ( 0.001 0.000 2.816) 2.816 3.304 ( -1.953 0.000 -5.131) 5.490 3.355 ( -0.455 0.000 0.441) 0.634 3.415 ( 4.733 0.000 0.410) 4.751 3.486 ( 4.354 0.000 2.968) 5.270 3.697 ( 3.496 0.000 -1.658) 3.869 3.722 ( -9.358 0.000 -1.543) 9.484 3.787 ( 16.418 0.000 0.051) 16.418 3.802 ( 9.911 0.000 -0.187) 9.912 3.891 ( -0.867 0.000 -1.629) 1.846 4.064 ( -3.185 0.000 2.805) 4.244 4.118 ( 10.189 0.000 7.298) 12.533 4.322 ( 12.337 0.000 -4.525) 13.141 4.410 ( 0.150 0.000 -5.093) 5.095 4.431 ( 12.346 0.000 -1.602) 12.450 4.433 ( 4.644 0.000 -1.231) 4.805 4.679 ( 5.119 0.000 -3.690) 6.310 4.793 ( 5.573 0.000 -5.149) 7.587 5.001 ( 2.149 0.000 8.391) 8.662 5.005 ( -2.633 0.000 3.055) 4.033 5.142 ( -2.550 0.000 2.196) 3.365 5.314 ( -5.327 0.000 0.388) 5.341 5.340 ( 3.206 0.000 -4.531) 5.551 5.471 ( 2.482 0.000 -3.009) 3.901 5.530 ( -4.883 0.000 -0.377) 4.898 5.606 ( -3.531 0.000 -3.179) 4.752 5.657 ( -0.875 0.000 1.434) 1.680 5.696 ( -2.512 0.000 2.823) 3.779 5.830 ( -5.489 0.000 7.906) 9.625 5.867 ( -1.103 0.000 1.785) 2.099 5.969 ( 4.848 0.000 2.065) 5.269 6.008 ( 2.598 0.000 -1.859) 3.195 6.220 ( -10.139 0.000 0.037) 10.139 6.242 ( 0.979 0.000 -1.926) 2.160 6.487 ( 6.422 0.000 2.803) 7.007 6.608 ( 6.075 0.000 -0.475) 6.094 6.667 ( 6.543 0.000 1.092) 6.634 6.675 ( 9.039 0.000 1.034) 9.098 6.768 ( 9.260 0.000 4.024) 10.097 6.774 ( 1.814 0.000 -0.581) 1.905 6.975 ( 8.519 0.000 5.108) 9.932 6.999 ( -0.486 0.000 0.402) 0.631 7.168 ( -4.686 0.000 2.069) 5.123 7.227 ( 4.768 0.000 -2.702) 5.480 7.345 ( -6.419 0.000 -3.742) 7.430 7.407 ( -8.341 0.000 5.617) 10.056 7.478 ( -3.498 0.000 7.425) 8.208 7.669 ( 0.965 0.000 -3.722) 3.845 7.860 ( -1.567 0.000 -1.102) 1.915 7.907 ( -3.113 0.000 1.736) 3.565 8.130 ( 1.033 0.000 -6.816) 6.893 8.298 ( 8.788 0.000 2.934) 9.265 8.328 ( 7.788 0.000 2.319) 8.126 8.397 ( 5.471 0.000 -4.425) 7.036 8.457 ( -5.981 0.000 5.392) 8.053 8.476 ( 3.925 0.000 0.990) 4.048 8.607 ( 8.511 0.000 -5.759) 10.276 8.670 ( 7.508 0.000 -6.479) 9.917 8.876 ( -1.824 0.000 4.122) 4.507 8.947 ( -0.748 0.000 2.803) 2.901 9.087 ( 3.654 0.000 -3.837) 5.298 9.188 ( 4.358 0.000 -5.419) 6.954 9.317 ( -3.892 0.000 0.695) 3.953 9.382 ( -4.006 0.000 -0.470) 4.034 9.466 ( -0.928 0.000 -2.982) 3.123 9.475 ( -2.640 0.000 1.805) 3.198 9.583 ( 4.609 0.000 -6.089) 7.636 9.716 ( 3.751 0.000 -9.709) 10.409 9.880 ( -0.996 0.000 -4.778) 4.880 9.977 ( -0.299 0.000 -5.661) 5.669 10.023 ( -5.605 0.000 3.014) 6.363 10.176 ( -7.523 0.000 5.710) 9.445 10.194 ( -6.188 0.000 1.379) 6.340 10.243 ( -5.568 0.000 -1.232) 5.703 10.551 ( -0.693 0.000 2.522) 2.616 10.663 ( -3.230 0.000 -4.404) 5.462 10.669 ( -5.427 0.000 -2.394) 5.932 10.678 ( -3.997 0.000 -4.410) 5.952 10.891 ( 1.879 0.000 11.988) 12.135 10.960 ( -2.472 0.000 15.055) 15.257 11.245 ( -6.372 0.000 2.830) 6.973 11.267 ( -5.544 0.000 1.827) 5.837 11.466 ( -0.187 0.000 6.901) 6.903 11.555 ( -3.501 0.000 11.444) 11.968 11.589 ( 0.062 0.000 -0.415) 0.419 11.643 ( 6.636 0.000 -2.088) 6.957 11.801 ( 2.365 0.000 0.641) 2.450 11.806 ( -6.221 0.000 2.844) 6.840 11.879 ( -1.201 0.000 3.282) 3.495 11.902 ( -1.816 0.000 6.772) 7.012 12.391 ( -11.124 0.000 -7.441) 13.383 12.502 ( -10.884 0.000 -6.284) 12.568 12.520 ( -11.673 0.000 -4.481) 12.503 12.554 ( -15.484 0.000 -5.574) 16.457 13.614 ( 2.415 0.000 1.036) 2.627 13.623 ( 1.132 0.000 1.697) 2.040 13.848 ( -1.799 0.000 -3.353) 3.805 13.886 ( -1.466 0.000 -4.207) 4.456 14.411 ( 11.366 0.000 3.589) 11.919 14.504 ( 8.229 0.000 7.341) 11.028 14.558 ( 15.003 0.000 -0.355) 15.007 15.052 ( -1.761 0.000 -5.522) 5.796 15.751 ( 19.170 0.000 4.525) 19.697 15.875 ( 15.026 0.000 1.435) 15.094 16.210 ( 2.801 0.000 -4.797) 5.555 16.231 ( 2.977 0.000 -4.847) 5.689 16.306 ( -4.906 0.000 2.075) 5.326 16.380 ( -4.366 0.000 0.471) 4.392 16.401 ( -3.454 0.000 2.698) 4.383 16.417 ( -6.144 0.000 1.474) 6.319 16.914 ( 13.870 0.000 4.233) 14.501 17.062 ( 11.578 0.000 1.812) 11.719 17.371 ( -3.007 0.000 1.047) 3.184 17.384 ( 17.620 0.000 -7.111) 19.001 17.562 ( -5.190 0.000 0.740) 5.242 17.599 ( 2.398 0.000 -8.252) 8.593 17.684 ( -0.916 0.000 0.493) 1.040 17.726 ( -6.138 0.000 -4.034) 7.345 17.865 ( -2.411 0.000 0.439) 2.450 18.117 ( 0.149 0.000 -6.242) 6.244 18.177 ( -1.840 0.000 -4.280) 4.658 18.233 ( 7.077 0.000 -5.847) 9.180 18.391 ( -4.048 0.000 3.016) 5.048 18.440 ( -2.464 0.000 1.836) 3.073 18.549 ( -5.366 0.000 4.292) 6.871 18.598 ( -5.998 0.000 3.958) 7.187 19.789 ( 33.669 0.000 7.595) 34.516 19.954 ( 6.257 0.000 2.645) 6.793 20.181 ( -1.441 0.000 1.885) 2.373 20.197 ( 3.026 0.000 -0.999) 3.187 20.325 ( 4.995 0.000 -2.321) 5.508 20.713 ( 12.082 0.000 -11.798) 16.887 21.151 ( -5.242 0.000 1.089) 5.354 21.227 ( -2.898 0.000 -3.054) 4.210 21.479 ( 11.702 0.000 6.242) 13.263 21.762 ( 11.816 0.000 -0.883) 11.849 21.895 ( 9.371 0.000 2.379) 9.668 22.376 ( -9.490 0.000 4.662) 10.573 22.397 ( 9.871 0.000 -14.548) 17.581 22.563 ( -6.168 0.000 1.947) 6.468 22.692 ( -2.125 0.000 -4.462) 4.942 22.832 ( -0.276 0.000 -3.546) 3.557 24.645 ( 4.626 0.000 0.107) 4.628 24.705 ( 3.454 0.000 -0.895) 3.568 24.953 ( -4.159 0.000 1.050) 4.290 25.024 ( -4.096 0.000 -0.884) 4.191 25.149 ( 0.577 0.000 0.552) 0.799 25.265 ( 3.520 0.000 -1.920) 4.010 25.302 ( -5.262 0.000 3.241) 6.180 25.647 ( -10.047 0.000 -4.493) 11.006 ======================= Grid point 38 (16/36) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 13.452 0.000 0.709) 13.471 1.576 ( 19.144 0.000 3.764) 19.511 1.745 ( -4.823 0.000 -0.836) 4.895 1.798 ( 2.875 0.000 5.394) 6.113 1.856 ( -2.318 0.000 -2.318) 3.278 1.950 ( -3.625 0.000 -0.451) 3.653 1.981 ( -1.681 0.000 -1.174) 2.050 1.992 ( -2.674 0.000 -0.165) 2.679 2.040 ( -0.629 0.000 -0.047) 0.631 2.096 ( 3.917 0.000 1.988) 4.392 2.109 ( -6.027 0.000 -3.062) 6.760 2.150 ( -1.883 0.000 -1.184) 2.224 2.234 ( 6.218 0.000 -4.179) 7.491 2.239 ( 0.889 0.000 0.736) 1.154 2.263 ( 0.033 0.000 2.887) 2.887 2.362 ( -5.986 0.000 -4.107) 7.259 2.379 ( -2.841 0.000 3.505) 4.512 2.424 ( -6.662 0.000 5.875) 8.882 2.491 ( 2.029 0.000 1.722) 2.662 2.544 ( -2.427 0.000 0.408) 2.461 2.708 ( 6.477 0.000 -7.132) 9.634 2.836 ( -5.378 0.000 -8.191) 9.798 2.837 ( 1.442 0.000 -3.091) 3.411 2.856 ( -0.667 0.000 -4.065) 4.120 2.953 ( 2.540 0.000 -1.102) 2.769 3.002 ( 2.456 0.000 0.102) 2.458 3.009 ( -2.145 0.000 -0.170) 2.152 3.074 ( -4.265 0.000 -0.665) 4.317 3.076 ( 7.343 0.000 1.365) 7.468 3.153 ( 4.873 0.000 -1.893) 5.228 3.228 ( -1.653 0.000 0.556) 1.744 3.252 ( -6.744 0.000 -1.577) 6.926 3.404 ( 8.934 0.000 -6.288) 10.925 3.476 ( 1.554 0.000 1.826) 2.398 3.528 ( -5.753 0.000 2.759) 6.381 3.621 ( -5.274 0.000 -5.827) 7.859 3.784 ( 4.058 0.000 1.962) 4.507 3.802 ( 8.562 0.000 -8.478) 12.049 3.909 ( -3.990 0.000 0.433) 4.013 3.950 ( -2.445 0.000 -6.210) 6.674 4.213 ( 13.801 0.000 4.022) 14.375 4.345 ( 9.702 0.000 8.493) 12.895 4.407 ( -4.172 0.000 0.850) 4.258 4.416 ( 2.045 0.000 1.079) 2.312 4.640 ( 11.673 0.000 -2.354) 11.908 4.653 ( 9.329 0.000 -2.790) 9.738 4.749 ( 0.351 0.000 -3.708) 3.724 4.807 ( -4.644 0.000 -3.933) 6.086 5.022 ( 4.994 0.000 6.970) 8.575 5.045 ( 2.793 0.000 6.430) 7.010 5.100 ( -2.162 0.000 4.198) 4.722 5.171 ( -8.627 0.000 3.923) 9.477 5.377 ( 1.224 0.000 -0.770) 1.446 5.432 ( -4.546 0.000 0.760) 4.609 5.507 ( 1.404 0.000 -4.884) 5.081 5.544 ( -2.538 0.000 -4.956) 5.568 5.661 ( 0.052 0.000 5.187) 5.187 5.686 ( 3.944 0.000 2.591) 4.719 5.718 ( -5.343 0.000 8.160) 9.754 5.788 ( -5.692 0.000 2.892) 6.384 6.014 ( -0.103 0.000 -2.592) 2.594 6.057 ( -5.245 0.000 -2.240) 5.703 6.077 ( 6.493 0.000 -1.090) 6.583 6.199 ( -4.998 0.000 -0.689) 5.046 6.632 ( 6.739 0.000 -0.615) 6.767 6.718 ( -1.666 0.000 -2.304) 2.843 6.769 ( 7.581 0.000 -2.141) 7.877 6.807 ( 5.423 0.000 2.212) 5.857 6.848 ( 5.432 0.000 2.381) 5.931 6.949 ( -4.159 0.000 2.483) 4.843 7.040 ( 12.291 0.000 4.176) 12.981 7.078 ( -1.826 0.000 3.521) 3.967 7.110 ( 4.877 0.000 2.598) 5.526 7.203 ( -11.318 0.000 6.100) 12.858 7.209 ( -4.065 0.000 1.425) 4.308 7.250 ( -6.412 0.000 -1.339) 6.550 7.549 ( 12.732 0.000 3.161) 13.118 7.705 ( 3.687 0.000 -2.026) 4.207 7.797 ( -4.687 0.000 -2.032) 5.108 7.799 ( -9.163 0.000 0.752) 9.194 8.143 ( 2.433 0.000 -1.060) 2.654 8.262 ( -9.044 0.000 4.579) 10.137 8.385 ( 3.365 0.000 -0.248) 3.374 8.437 ( -1.491 0.000 -1.150) 1.883 8.484 ( 4.371 0.000 1.128) 4.515 8.577 ( -6.033 0.000 -0.735) 6.078 8.715 ( 9.734 0.000 -4.951) 10.921 8.761 ( 4.099 0.000 -6.618) 7.785 8.932 ( 4.401 0.000 3.790) 5.808 9.113 ( 17.945 0.000 0.046) 17.945 9.171 ( -11.095 0.000 2.499) 11.373 9.248 ( 8.819 0.000 -0.825) 8.858 9.263 ( 3.321 0.000 -3.015) 4.485 9.314 ( -3.204 0.000 -0.271) 3.215 9.386 ( -7.284 0.000 -0.991) 7.351 9.395 ( -5.897 0.000 0.520) 5.920 9.686 ( 6.978 0.000 -9.115) 11.479 9.815 ( 6.776 0.000 -15.016) 16.474 9.832 ( -4.867 0.000 -7.120) 8.624 9.941 ( -4.213 0.000 -11.989) 12.708 9.942 ( -1.763 0.000 2.695) 3.220 9.998 ( -8.489 0.000 3.890) 9.338 10.109 ( -2.163 0.000 -0.744) 2.288 10.129 ( -4.565 0.000 -2.329) 5.125 10.565 ( 1.975 0.000 -0.020) 1.975 10.594 ( -1.780 0.000 -1.534) 2.350 10.602 ( -2.340 0.000 -1.073) 2.574 10.614 ( -2.750 0.000 -3.481) 4.436 10.947 ( 4.654 0.000 14.511) 15.239 10.961 ( 3.220 0.000 16.737) 17.044 11.085 ( -8.641 0.000 13.960) 16.418 11.093 ( -9.790 0.000 12.401) 15.799 11.534 ( 5.364 0.000 2.092) 5.758 11.535 ( 1.717 0.000 3.474) 3.875 11.580 ( -1.744 0.000 1.148) 2.088 11.647 ( -6.133 0.000 1.067) 6.225 11.789 ( 6.372 0.000 -1.505) 6.547 11.875 ( 3.551 0.000 -0.991) 3.686 11.882 ( -1.709 0.000 -0.422) 1.760 11.898 ( 0.717 0.000 1.906) 2.036 12.226 ( -3.857 0.000 -5.933) 7.076 12.294 ( -9.968 0.000 -3.703) 10.634 12.322 ( -5.322 0.000 -4.821) 7.181 12.339 ( -6.116 0.000 -4.466) 7.573 13.686 ( 4.705 0.000 -1.282) 4.877 13.699 ( 5.713 0.000 -1.992) 6.050 13.783 ( -4.590 0.000 -3.201) 5.596 13.814 ( -5.398 0.000 -4.301) 6.902 14.568 ( 4.760 0.000 5.477) 7.257 14.600 ( 1.521 0.000 6.959) 7.123 14.810 ( 10.515 0.000 -0.446) 10.524 14.972 ( -6.145 0.000 -2.185) 6.522 16.060 ( 12.499 0.000 2.945) 12.841 16.078 ( 6.989 0.000 1.637) 7.178 16.187 ( -4.472 0.000 1.520) 4.724 16.253 ( -5.112 0.000 0.161) 5.114 16.281 ( 1.940 0.000 -1.327) 2.351 16.283 ( -1.739 0.000 -0.695) 1.873 16.316 ( -2.955 0.000 -1.095) 3.152 16.334 ( -3.220 0.000 0.892) 3.341 17.169 ( 10.194 0.000 3.852) 10.898 17.271 ( 9.857 0.000 2.167) 10.092 17.302 ( -4.292 0.000 2.291) 4.865 17.439 ( -7.213 0.000 1.294) 7.328 17.604 ( 4.131 0.000 -5.610) 6.967 17.614 ( 0.222 0.000 -4.447) 4.453 17.640 ( -2.523 0.000 -2.954) 3.885 17.654 ( -2.052 0.000 -3.323) 3.905 17.969 ( 10.660 0.000 1.952) 10.837 18.132 ( -4.556 0.000 0.091) 4.557 18.170 ( 4.971 0.000 -2.956) 5.784 18.287 ( -6.102 0.000 1.746) 6.347 18.363 ( 5.856 0.000 -3.503) 6.824 18.397 ( -0.027 0.000 1.054) 1.055 18.453 ( -4.545 0.000 0.714) 4.600 18.477 ( -5.958 0.000 1.074) 6.054 20.068 ( 4.890 0.000 2.088) 5.317 20.141 ( -2.716 0.000 2.109) 3.438 20.228 ( 5.249 0.000 -1.818) 5.555 20.277 ( 0.963 0.000 -0.048) 0.964 20.581 ( 27.877 0.000 1.846) 27.938 20.909 ( 7.862 0.000 -4.889) 9.258 21.041 ( -5.984 0.000 -1.441) 6.155 21.042 ( -16.320 0.000 -1.664) 16.405 21.792 ( 17.737 0.000 4.114) 18.208 22.068 ( 17.669 0.000 -2.497) 17.844 22.110 ( 1.198 0.000 3.205) 3.422 22.138 ( -3.320 0.000 5.582) 6.495 22.370 ( -11.035 0.000 -3.189) 11.487 22.384 ( -11.956 0.000 3.324) 12.409 22.730 ( 4.704 0.000 -9.394) 10.506 22.806 ( -2.595 0.000 -5.869) 6.417 24.747 ( 5.621 0.000 -0.137) 5.623 24.797 ( 5.775 0.000 -0.978) 5.857 24.858 ( -5.465 0.000 0.315) 5.474 24.919 ( -6.260 0.000 -1.060) 6.349 25.164 ( 1.336 0.000 1.497) 2.007 25.212 ( -3.605 0.000 2.616) 4.454 25.344 ( 4.809 0.000 -2.549) 5.442 25.466 ( -7.868 0.000 -3.262) 8.517 ======================= Grid point 42 (17/36) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 0.000 17.982 16.011) 24.077 0.819 ( 0.000 16.842 22.019) 27.721 1.225 ( 0.000 26.550 28.005) 38.590 1.362 ( 0.000 -9.750 17.296) 19.854 1.599 ( 0.000 -17.389 9.698) 19.911 1.777 ( 0.000 -0.606 -6.337) 6.366 1.860 ( 0.000 -0.816 -15.287) 15.309 1.895 ( 0.000 -2.697 -5.409) 6.045 2.000 ( 0.000 -1.610 -1.793) 2.409 2.096 ( 0.000 -1.089 -6.987) 7.072 2.143 ( 0.000 3.062 1.870) 3.587 2.257 ( 0.000 -0.129 0.168) 0.212 2.321 ( 0.000 3.517 -1.621) 3.873 2.345 ( 0.000 5.577 2.107) 5.962 2.379 ( 0.000 3.724 -1.301) 3.944 2.406 ( 0.000 0.070 -1.870) 1.871 2.443 ( 0.000 3.143 1.688) 3.568 2.446 ( 0.000 4.231 6.121) 7.441 2.502 ( 0.000 -4.177 -0.655) 4.228 2.576 ( 0.000 -4.443 1.218) 4.607 2.709 ( 0.000 -5.794 0.824) 5.852 2.714 ( 0.000 1.918 -0.701) 2.042 2.793 ( 0.000 -3.363 -1.201) 3.571 2.820 ( 0.000 -2.950 -0.764) 3.048 2.881 ( 0.000 -2.079 3.349) 3.942 2.918 ( 0.000 -6.802 7.192) 9.899 2.929 ( 0.000 -6.048 2.225) 6.444 2.971 ( 0.000 2.221 -0.584) 2.296 3.068 ( 0.000 -3.821 1.593) 4.140 3.090 ( 0.000 -3.659 -1.263) 3.871 3.105 ( 0.000 -1.116 7.706) 7.786 3.129 ( 0.000 -6.579 2.730) 7.123 3.372 ( 0.000 1.372 -6.549) 6.692 3.392 ( 0.000 -2.022 -2.647) 3.331 3.579 ( 0.000 0.551 -6.489) 6.512 3.626 ( 0.000 -2.470 -5.286) 5.835 3.792 ( 0.000 6.434 -14.875) 16.206 3.915 ( 0.000 -2.768 -4.507) 5.289 3.972 ( 0.000 11.089 3.666) 11.680 3.996 ( 0.000 5.131 -15.287) 16.125 4.039 ( 0.000 1.423 -8.040) 8.165 4.179 ( 0.000 6.454 -6.679) 9.287 4.189 ( 0.000 1.158 5.174) 5.302 4.226 ( 0.000 2.728 4.173) 4.985 4.335 ( 0.000 1.632 -3.588) 3.941 4.398 ( 0.000 0.300 -1.194) 1.231 4.455 ( 0.000 4.061 -1.834) 4.456 4.539 ( 0.000 -1.220 -0.535) 1.333 4.913 ( 0.000 -0.259 3.321) 3.331 5.014 ( 0.000 -1.568 -1.357) 2.073 5.186 ( 0.000 0.164 -4.145) 4.148 5.214 ( 0.000 0.493 -10.546) 10.557 5.344 ( 0.000 2.123 -0.308) 2.146 5.441 ( 0.000 -3.379 4.049) 5.274 5.581 ( 0.000 2.261 2.640) 3.476 5.616 ( 0.000 -0.272 2.781) 2.794 5.720 ( 0.000 0.974 6.859) 6.928 5.756 ( 0.000 -0.255 4.186) 4.194 5.810 ( 0.000 0.005 1.868) 1.868 5.815 ( 0.000 0.404 4.045) 4.065 5.824 ( 0.000 0.754 0.566) 0.943 5.973 ( 0.000 -8.197 5.137) 9.674 6.108 ( 0.000 3.820 -6.700) 7.713 6.314 ( 0.000 -1.534 4.988) 5.218 6.370 ( 0.000 0.650 6.536) 6.568 6.476 ( 0.000 -5.926 -4.128) 7.222 6.592 ( 0.000 -0.747 8.349) 8.383 6.618 ( 0.000 -1.848 1.116) 2.159 6.742 ( 0.000 1.850 -1.396) 2.318 6.756 ( 0.000 0.550 -4.331) 4.366 6.931 ( 0.000 1.928 -5.611) 5.933 6.949 ( 0.000 1.518 -3.166) 3.511 6.992 ( 0.000 3.881 -0.313) 3.894 7.120 ( 0.000 -1.069 2.117) 2.372 7.376 ( 0.000 0.359 0.722) 0.807 7.479 ( 0.000 -3.066 -3.979) 5.023 7.490 ( 0.000 0.388 3.029) 3.054 7.509 ( 0.000 -1.121 6.501) 6.597 7.915 ( 0.000 1.225 0.080) 1.227 7.977 ( 0.000 -0.071 1.885) 1.886 8.016 ( 0.000 2.406 1.145) 2.664 8.035 ( 0.000 1.513 2.834) 3.213 8.122 ( 0.000 2.034 0.286) 2.054 8.200 ( 0.000 -0.811 -5.319) 5.381 8.352 ( 0.000 -0.837 -3.132) 3.241 8.511 ( 0.000 -6.610 -2.970) 7.247 8.520 ( 0.000 3.350 -5.336) 6.301 8.663 ( 0.000 -2.283 -5.455) 5.914 8.962 ( 0.000 0.664 -1.762) 1.883 8.988 ( 0.000 0.467 0.670) 0.817 9.013 ( 0.000 -1.247 -0.157) 1.256 9.018 ( 0.000 -1.782 6.303) 6.550 9.298 ( 0.000 1.179 3.742) 3.923 9.358 ( 0.000 -0.891 4.516) 4.604 9.474 ( 0.000 0.236 -2.893) 2.903 9.523 ( 0.000 -1.723 0.428) 1.776 9.553 ( 0.000 -0.497 7.076) 7.093 9.554 ( 0.000 -0.143 7.644) 7.645 9.874 ( 0.000 0.231 -5.330) 5.335 9.923 ( 0.000 -2.678 -3.484) 4.394 10.153 ( 0.000 0.876 5.738) 5.804 10.252 ( 0.000 -3.856 6.498) 7.556 10.426 ( 0.000 4.651 9.853) 10.896 10.486 ( 0.000 1.948 0.861) 2.129 10.585 ( 0.000 -2.696 0.247) 2.708 10.679 ( 0.000 -4.992 -4.325) 6.605 10.788 ( 0.000 0.897 2.404) 2.566 10.832 ( 0.000 0.383 -5.253) 5.267 10.878 ( 0.000 -1.272 -2.073) 2.432 10.897 ( 0.000 -10.405 16.115) 19.183 11.377 ( 0.000 3.290 -8.446) 9.065 11.406 ( 0.000 -0.409 -9.157) 9.167 11.458 ( 0.000 1.009 0.074) 1.012 11.486 ( 0.000 -0.720 5.575) 5.621 11.612 ( 0.000 3.249 -0.207) 3.256 11.672 ( 0.000 0.876 2.291) 2.453 11.728 ( 0.000 -0.204 11.610) 11.612 11.939 ( 0.000 -12.530 11.025) 16.689 12.028 ( 0.000 4.389 13.581) 14.272 12.286 ( 0.000 -6.721 19.336) 20.471 12.698 ( 0.000 -4.634 -5.682) 7.332 12.751 ( 0.000 -1.904 -7.662) 7.895 12.982 ( 0.000 1.370 -6.509) 6.651 13.047 ( 0.000 -1.757 -3.850) 4.232 13.673 ( 0.000 0.328 2.251) 2.275 13.720 ( 0.000 -3.581 4.517) 5.765 13.852 ( 0.000 0.665 3.112) 3.182 13.900 ( 0.000 -1.098 4.427) 4.561 14.006 ( 0.000 1.303 -6.808) 6.932 14.061 ( 0.000 0.053 -4.898) 4.898 14.169 ( 0.000 3.213 -2.933) 4.350 14.229 ( 0.000 -0.575 -0.967) 1.125 15.135 ( 0.000 -0.062 11.057) 11.057 15.150 ( 0.000 -0.387 8.613) 8.622 16.015 ( 0.000 2.420 -12.261) 12.498 16.092 ( 0.000 0.147 -13.526) 13.527 16.444 ( 0.000 -0.561 3.857) 3.898 16.510 ( 0.000 -2.684 4.713) 5.424 16.541 ( 0.000 -0.072 1.002) 1.005 16.572 ( 0.000 -4.895 4.578) 6.702 16.666 ( 0.000 -0.214 1.029) 1.051 16.683 ( 0.000 -2.396 4.746) 5.317 16.874 ( 0.000 3.963 -4.609) 6.078 17.071 ( 0.000 -2.793 -6.553) 7.123 17.534 ( 0.000 1.671 6.992) 7.189 17.641 ( 0.000 -2.534 3.564) 4.373 17.723 ( 0.000 0.906 2.422) 2.586 17.769 ( 0.000 -2.125 2.228) 3.079 18.115 ( 0.000 1.293 -0.949) 1.604 18.187 ( 0.000 -1.303 -7.487) 7.599 18.200 ( 0.000 1.761 -4.748) 5.064 18.239 ( 0.000 -0.324 -7.320) 7.327 18.455 ( 0.000 1.608 2.728) 3.166 18.561 ( 0.000 -3.361 8.175) 8.839 18.592 ( 0.000 6.290 -0.777) 6.338 18.722 ( 0.000 3.938 12.983) 13.567 18.984 ( 0.000 -7.505 5.393) 9.241 19.248 ( 0.000 -28.655 36.334) 46.274 20.146 ( 0.000 2.970 -5.226) 6.011 20.176 ( 0.000 0.209 -1.567) 1.581 20.248 ( 0.000 7.577 -0.499) 7.593 20.553 ( 0.000 -15.054 7.875) 16.989 20.554 ( 0.000 7.593 -26.815) 27.869 21.145 ( 0.000 -14.515 -10.888) 18.145 21.461 ( 0.000 1.718 12.629) 12.745 21.549 ( 0.000 -0.607 3.738) 3.787 21.674 ( 0.000 1.777 -0.346) 1.811 21.699 ( 0.000 -0.336 0.194) 0.388 22.549 ( 0.000 0.849 3.495) 3.596 22.612 ( 0.000 -2.345 2.149) 3.180 22.718 ( 0.000 0.427 1.397) 1.461 22.798 ( 0.000 -1.632 -2.080) 2.644 24.712 ( 0.000 14.240 2.730) 14.500 25.030 ( 0.000 3.297 -0.179) 3.302 25.105 ( 0.000 1.048 -0.628) 1.222 25.110 ( 0.000 -1.574 0.059) 1.575 25.161 ( 0.000 -1.156 -0.836) 1.427 25.324 ( 0.000 -10.200 5.135) 11.420 25.499 ( 0.000 30.771 -32.359) 44.654 25.902 ( 0.000 -1.021 -9.067) 9.124 ======================= Grid point 43 (18/36) ======================= q-point: ( 0.14 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 15.582 15.305 10.889) 24.405 0.940 ( 14.775 13.699 15.825) 25.620 1.441 ( 10.314 -5.649 15.470) 19.432 1.550 ( 21.687 13.173 18.729) 31.537 1.666 ( 3.656 -16.823 4.947) 17.912 1.825 ( 4.246 -0.717 -6.365) 7.685 1.892 ( 2.930 -1.965 -12.825) 13.301 1.941 ( 3.914 -3.242 -5.221) 7.287 2.012 ( 0.501 -0.946 -0.936) 1.422 2.094 ( 0.191 -0.521 -3.762) 3.803 2.146 ( 0.517 3.530 0.733) 3.643 2.229 ( -2.874 0.304 0.338) 2.910 2.279 ( -3.429 2.374 -0.808) 4.248 2.350 ( -1.809 2.410 -1.643) 3.432 2.359 ( 1.009 3.311 -1.249) 3.680 2.421 ( -3.602 -2.481 -1.730) 4.703 2.452 ( 2.477 0.025 0.058) 2.478 2.473 ( 2.468 4.304 2.505) 5.558 2.526 ( 8.210 5.593 2.748) 10.307 2.607 ( -0.608 1.215 0.079) 1.361 2.654 ( -1.274 -0.397 3.206) 3.473 2.733 ( -0.740 0.590 2.530) 2.701 2.774 ( -1.452 -3.654 -1.122) 4.089 2.805 ( -0.464 -6.445 -0.707) 6.501 2.891 ( 2.631 -5.206 0.767) 5.884 2.926 ( -3.856 1.170 -1.428) 4.275 2.983 ( 4.563 -1.436 1.945) 5.164 3.028 ( 3.686 -6.052 6.004) 9.288 3.067 ( 0.352 -4.136 -1.497) 4.413 3.127 ( 1.328 -6.784 2.395) 7.316 3.201 ( 7.805 -0.373 1.222) 7.909 3.286 ( 16.175 -1.542 -0.279) 16.251 3.334 ( 0.119 2.739 -4.838) 5.561 3.420 ( -1.463 -2.530 -3.500) 4.560 3.503 ( -7.428 0.804 -9.392) 12.001 3.518 ( -7.821 0.544 -4.908) 9.249 3.630 ( -5.236 2.119 -1.849) 5.944 3.700 ( -3.923 -1.369 1.399) 4.384 3.967 ( -3.119 4.197 -3.095) 6.077 4.010 ( -5.117 7.480 -2.099) 9.303 4.075 ( -3.077 0.491 -2.374) 3.917 4.148 ( 4.572 -0.642 0.461) 4.640 4.177 ( -2.434 3.863 2.588) 5.249 4.258 ( 0.857 2.230 -0.869) 2.542 4.331 ( 5.655 0.527 -3.115) 6.477 4.375 ( 4.557 -0.006 -2.142) 5.035 4.598 ( 3.999 0.391 -2.713) 4.848 4.627 ( 9.346 0.219 -2.602) 9.704 4.940 ( 2.128 -0.758 5.313) 5.774 5.029 ( -2.987 -4.301 -1.892) 5.568 5.237 ( -1.092 2.856 -6.509) 7.191 5.268 ( 2.894 1.259 -3.169) 4.473 5.321 ( 3.046 -0.693 -6.296) 7.028 5.401 ( -1.350 -4.021 2.305) 4.828 5.624 ( 0.315 2.435 -0.922) 2.623 5.660 ( 0.139 0.306 -1.417) 1.456 5.707 ( -2.133 0.641 3.764) 4.374 5.730 ( -1.769 -0.414 2.848) 3.378 5.831 ( 5.408 0.754 9.011) 10.536 5.875 ( 1.667 0.016 1.395) 2.173 5.898 ( 6.548 1.399 1.706) 6.910 5.942 ( -1.006 -1.037 3.013) 3.342 6.164 ( 5.136 2.029 -6.409) 8.460 6.364 ( -0.052 -2.919 -0.467) 2.957 6.381 ( 2.393 1.031 5.414) 6.008 6.487 ( 1.079 -3.744 3.043) 4.944 6.556 ( -1.617 0.043 2.568) 3.036 6.621 ( 2.043 -1.206 7.396) 7.767 6.719 ( 1.139 2.385 -4.047) 4.833 6.772 ( 0.314 -0.845 -1.412) 1.676 6.861 ( 2.272 4.690 1.163) 5.339 6.977 ( 3.120 0.079 -1.860) 3.633 7.125 ( 6.579 3.017 -2.447) 7.640 7.195 ( 2.040 -1.110 -0.180) 2.329 7.450 ( -3.231 -1.515 -0.899) 3.680 7.468 ( 4.404 -0.610 10.732) 11.617 7.518 ( 0.373 -0.356 5.311) 5.336 7.588 ( 1.506 -3.964 -10.852) 11.651 7.901 ( -1.379 2.027 -0.240) 2.463 7.961 ( -0.836 0.705 1.549) 1.896 8.038 ( 3.775 0.482 1.678) 4.159 8.072 ( 7.853 -1.580 3.637) 8.798 8.278 ( 2.073 2.178 -7.377) 7.966 8.306 ( 13.584 0.835 -6.051) 14.895 8.371 ( 5.738 -1.531 -2.920) 6.618 8.430 ( -4.878 -1.322 -3.595) 6.203 8.528 ( 0.579 -0.681 0.295) 0.941 8.612 ( -3.761 -1.203 0.394) 3.968 8.953 ( -2.637 -0.366 -0.834) 2.790 8.974 ( -1.944 -1.103 1.791) 2.864 9.052 ( 3.354 0.733 -0.675) 3.499 9.088 ( 4.508 -0.693 -1.966) 4.966 9.353 ( 1.916 0.639 -2.944) 3.570 9.409 ( 4.466 -1.148 -1.239) 4.774 9.449 ( -0.816 0.229 -0.369) 0.925 9.486 ( -2.594 -1.104 0.638) 2.890 9.548 ( -0.207 0.464 3.183) 3.224 9.616 ( 4.394 -1.834 0.943) 4.854 9.881 ( 0.512 0.130 -4.776) 4.806 9.931 ( 0.654 -2.777 -3.498) 4.514 10.127 ( -2.885 1.007 5.530) 6.318 10.230 ( -2.519 -3.601 6.075) 7.498 10.350 ( -6.393 1.914 4.439) 8.015 10.367 ( -8.088 0.501 1.129) 8.181 10.591 ( -0.518 0.805 2.926) 3.079 10.689 ( -0.547 -2.438 -3.279) 4.123 10.766 ( -3.317 0.883 -1.909) 3.928 10.787 ( -4.219 0.664 -4.803) 6.427 10.853 ( 0.272 -1.316 6.502) 6.639 10.924 ( 0.798 -6.597 13.535) 15.079 11.328 ( -2.695 1.494 -4.279) 5.273 11.345 ( -3.889 0.136 -4.154) 5.692 11.518 ( 3.948 0.599 0.845) 4.081 11.543 ( 0.607 -0.494 4.023) 4.099 11.593 ( -1.061 2.450 3.956) 4.772 11.641 ( 0.142 3.566 -0.436) 3.596 11.760 ( 0.525 -2.999 7.384) 7.987 11.824 ( -6.821 -5.997 10.516) 13.895 11.981 ( -4.022 3.061 11.216) 12.302 12.088 ( -11.488 1.026 12.634) 17.107 12.598 ( -8.311 -0.026 -8.463) 11.861 12.680 ( -7.185 -1.845 -7.463) 10.523 12.791 ( -13.899 2.845 -3.637) 14.646 12.864 ( -15.566 -0.652 -7.926) 17.480 13.623 ( -2.753 0.475 2.683) 3.873 13.651 ( -3.993 -0.668 3.948) 5.655 13.852 ( 1.922 0.345 -1.237) 2.311 13.874 ( 1.493 -0.031 -1.107) 1.859 14.211 ( 14.011 5.785 0.871) 15.183 14.251 ( 14.856 0.974 -1.196) 14.936 14.283 ( 12.916 -0.649 3.345) 13.358 14.755 ( 17.499 -18.562 -7.519) 26.595 15.400 ( 20.008 2.569 5.584) 20.931 15.453 ( 25.979 -0.523 1.745) 26.043 16.111 ( 7.160 0.776 -10.619) 12.831 16.152 ( 4.930 0.151 -10.594) 11.686 16.410 ( -4.126 -0.344 3.711) 5.560 16.446 ( -3.899 -1.776 3.841) 5.754 16.488 ( -5.043 0.407 2.734) 5.751 16.508 ( -3.432 -0.454 1.479) 3.765 16.718 ( 6.324 0.936 3.863) 7.469 16.790 ( 11.197 -1.523 1.618) 11.416 17.103 ( 11.112 -0.827 -6.606) 12.954 17.268 ( 18.088 -7.111 -16.234) 25.323 17.512 ( -1.310 0.923 4.091) 4.393 17.621 ( -1.984 -2.437 2.009) 3.730 17.712 ( -0.926 1.040 2.375) 2.754 17.776 ( -0.314 -2.868 0.577) 2.942 18.015 ( -9.049 1.439 -2.832) 9.590 18.084 ( -1.841 -1.858 -2.633) 3.711 18.176 ( -3.830 0.467 -6.823) 7.838 18.211 ( -2.466 -1.256 -6.789) 7.332 18.462 ( -0.734 1.838 3.245) 3.801 18.496 ( -2.520 2.412 4.493) 5.688 18.604 ( -1.048 -1.993 6.422) 6.806 18.688 ( -6.273 -1.165 6.008) 8.764 19.188 ( 22.822 -2.341 12.641) 26.194 19.567 ( 23.789 -21.865 17.646) 36.816 20.150 ( 1.317 2.541 -3.473) 4.500 20.184 ( 1.029 -0.463 -0.834) 1.403 20.235 ( -0.773 5.042 1.326) 5.271 20.576 ( 5.474 0.079 -5.553) 7.798 20.780 ( 13.939 -9.902 -14.289) 22.282 21.189 ( 2.449 -10.538 -8.912) 14.017 21.473 ( 2.228 4.527 10.234) 11.410 21.660 ( 5.233 1.479 -0.325) 5.447 21.717 ( 5.615 -3.473 1.315) 6.732 21.814 ( 16.061 -8.784 -3.021) 18.553 22.514 ( -3.703 1.031 3.751) 5.370 22.591 ( -2.408 -2.868 2.313) 4.402 22.708 ( -1.204 0.924 0.840) 1.735 22.803 ( 0.271 -1.920 -2.411) 3.095 24.714 ( 0.320 13.120 2.498) 13.359 25.016 ( -1.549 3.885 -0.294) 4.192 25.092 ( -1.309 1.436 -0.749) 2.082 25.113 ( -0.262 -1.046 -0.355) 1.135 25.185 ( 2.191 -1.564 -1.206) 2.950 25.248 ( -9.083 8.882 -2.991) 13.051 25.341 ( -8.244 10.583 -9.292) 16.319 25.807 ( -8.913 -2.673 -7.860) 12.181 ======================= Grid point 44 (19/36) ======================= q-point: ( 0.29 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 18.742 7.359 7.400) 21.452 1.309 ( 19.043 7.546 6.134) 21.383 1.627 ( 8.007 -4.440 9.919) 13.499 1.710 ( 2.372 -10.601 2.642) 11.180 1.870 ( 4.786 1.487 0.482) 5.035 1.910 ( 4.652 -0.585 -2.313) 5.228 1.953 ( 3.461 -3.161 -6.182) 7.758 1.993 ( 0.754 -2.440 -1.443) 2.933 2.037 ( 3.136 -0.554 -1.281) 3.432 2.085 ( -2.144 1.641 0.380) 2.727 2.139 ( -4.693 1.717 -0.081) 4.997 2.164 ( 0.160 0.317 -0.977) 1.039 2.222 ( -2.354 1.192 -1.703) 3.141 2.257 ( -5.677 -2.604 -0.076) 6.246 2.330 ( -4.196 1.332 -2.359) 4.994 2.401 ( -0.129 0.753 -4.722) 4.784 2.493 ( -0.046 4.693 -0.626) 4.735 2.529 ( 0.256 4.633 1.765) 4.964 2.555 ( -1.434 1.208 0.066) 1.876 2.626 ( -0.428 2.551 -0.570) 2.649 2.674 ( -0.816 -0.413 1.581) 1.826 2.746 ( 2.126 -0.939 1.914) 3.011 2.785 ( 0.199 -4.184 -3.214) 5.280 2.813 ( 0.052 0.027 -3.562) 3.563 2.868 ( 6.460 -1.803 -1.534) 6.880 2.960 ( 0.418 -6.742 -1.802) 6.991 3.012 ( -2.179 0.069 -0.636) 2.271 3.036 ( 0.701 -0.061 0.635) 0.948 3.149 ( 4.147 -3.277 2.364) 5.790 3.167 ( -1.471 0.765 0.387) 1.702 3.181 ( 2.386 0.076 1.099) 2.628 3.292 ( -7.197 0.661 -6.078) 9.443 3.387 ( -0.114 -1.138 -1.003) 1.521 3.424 ( 4.352 2.086 -0.807) 4.893 3.439 ( 6.774 -0.372 0.481) 6.801 3.605 ( 6.519 -6.025 -0.776) 8.910 3.794 ( 11.437 0.774 -1.404) 11.549 3.807 ( -2.583 5.361 -0.511) 5.973 3.851 ( 6.763 -0.019 -1.082) 6.849 3.909 ( -3.521 3.831 -0.352) 5.215 4.045 ( -0.302 -1.150 3.017) 3.243 4.131 ( 5.588 0.101 5.486) 7.831 4.338 ( 11.637 1.465 -3.878) 12.354 4.400 ( 9.452 -1.482 -3.441) 10.167 4.420 ( 3.670 -0.077 -2.577) 4.485 4.436 ( 2.491 0.166 -2.627) 3.624 4.686 ( 4.919 0.803 -3.764) 6.246 4.771 ( 4.597 -2.156 -4.830) 7.008 4.971 ( -0.090 -1.612 6.019) 6.232 4.989 ( 1.316 -1.534 6.967) 7.254 5.165 ( -3.514 1.736 2.127) 4.460 5.270 ( -5.079 -3.376 0.506) 6.120 5.357 ( 3.224 1.539 -4.217) 5.527 5.444 ( 2.670 -2.030 -3.220) 4.649 5.566 ( -4.928 2.437 -1.044) 5.595 5.610 ( -4.119 0.183 -2.559) 4.853 5.673 ( -0.742 1.202 1.892) 2.361 5.695 ( -1.954 -0.069 2.735) 3.362 5.832 ( -3.943 0.605 7.420) 8.425 5.881 ( -2.626 0.167 6.186) 6.723 5.970 ( 4.199 0.961 -1.622) 4.602 6.015 ( 2.175 0.301 -1.974) 2.953 6.209 ( -5.454 -0.279 -3.457) 6.463 6.248 ( -4.083 -0.499 -1.513) 4.382 6.480 ( 7.947 0.245 1.719) 8.134 6.574 ( 7.879 -3.117 0.562) 8.491 6.651 ( 7.132 1.365 3.778) 8.185 6.718 ( 7.180 -0.382 1.227) 7.294 6.793 ( 5.316 3.613 -1.091) 6.519 6.811 ( 6.250 1.866 4.216) 7.766 6.967 ( 5.213 0.480 4.359) 6.812 7.020 ( 1.068 0.914 0.919) 1.679 7.165 ( -3.661 0.083 1.336) 3.898 7.220 ( 2.450 -1.021 -1.866) 3.244 7.357 ( -5.563 1.514 -3.555) 6.774 7.419 ( -8.326 0.602 3.759) 9.155 7.476 ( -1.561 0.386 8.198) 8.354 7.627 ( 1.966 -4.004 -2.924) 5.333 7.866 ( -2.785 0.930 -1.174) 3.162 7.913 ( -4.119 -0.059 0.690) 4.177 8.158 ( 3.536 2.977 -5.402) 7.110 8.308 ( 10.882 0.253 1.995) 11.066 8.332 ( 5.478 0.418 1.057) 5.595 8.376 ( 5.925 -2.666 -0.151) 6.499 8.442 ( -2.691 -0.462 1.591) 3.160 8.466 ( 2.594 -0.880 1.791) 3.273 8.600 ( 6.696 -0.297 -5.328) 8.562 8.644 ( 5.252 -1.961 -6.180) 8.344 8.888 ( -1.122 1.111 3.672) 3.998 8.940 ( -1.303 -0.798 3.104) 3.459 9.103 ( 4.389 1.513 -4.013) 6.136 9.173 ( 4.424 -1.328 -4.932) 6.757 9.326 ( -3.761 1.036 1.103) 4.054 9.386 ( -3.852 -0.214 0.730) 3.926 9.445 ( -1.577 -0.958 -3.133) 3.636 9.473 ( -1.992 -0.688 0.144) 2.112 9.593 ( 4.531 1.171 -5.937) 7.560 9.694 ( 3.747 -2.298 -8.494) 9.563 9.880 ( -0.903 0.172 -4.709) 4.798 9.936 ( -0.684 -2.848 -4.461) 5.337 10.045 ( -4.459 1.910 3.192) 5.806 10.148 ( -5.333 -2.366 4.691) 7.486 10.213 ( -6.741 1.112 0.245) 6.837 10.238 ( -6.037 -0.282 -1.300) 6.182 10.566 ( -1.223 1.456 2.282) 2.971 10.644 ( -3.601 -1.689 -0.254) 3.986 10.681 ( -4.209 1.340 -5.603) 7.135 10.695 ( -4.450 0.907 -4.701) 6.537 10.883 ( 1.993 -0.544 12.987) 13.151 10.925 ( -0.209 -2.586 15.207) 15.427 11.247 ( -6.262 0.345 2.590) 6.785 11.266 ( -6.178 -0.224 2.210) 6.565 11.496 ( -0.351 2.001 7.144) 7.427 11.548 ( -1.632 -0.785 10.687) 10.839 11.606 ( -1.294 1.900 0.367) 2.327 11.674 ( 5.857 2.810 -2.588) 6.993 11.739 ( -3.381 -3.827 2.376) 5.632 11.795 ( 2.408 -1.933 -0.435) 3.118 11.909 ( -2.534 2.186 4.522) 5.626 11.933 ( -3.087 1.806 6.716) 7.609 12.400 ( -10.830 1.183 -7.941) 13.482 12.490 ( -11.163 -1.699 -6.475) 13.016 12.520 ( -12.562 0.490 -4.866) 13.480 12.550 ( -15.293 -0.452 -5.349) 16.208 13.616 ( 2.229 0.199 1.171) 2.526 13.623 ( 1.321 -0.055 1.632) 2.101 13.856 ( -1.773 0.702 -3.489) 3.976 13.884 ( -1.609 -0.323 -4.135) 4.449 14.469 ( 10.540 5.386 3.220) 12.267 14.512 ( 9.514 1.390 5.908) 11.285 14.547 ( 13.862 -0.998 0.847) 13.924 14.924 ( 2.500 -11.393 -3.236) 12.105 15.786 ( 17.644 2.855 3.707) 18.254 15.868 ( 15.318 -0.821 1.805) 15.446 16.215 ( 3.162 0.519 -5.188) 6.098 16.232 ( 2.722 0.074 -4.925) 5.628 16.311 ( -4.856 0.662 1.915) 5.262 16.373 ( -4.373 -1.761 2.390) 5.285 16.395 ( -4.441 0.867 0.778) 4.591 16.421 ( -5.064 -0.082 1.390) 5.252 16.925 ( 13.826 1.271 4.071) 14.469 17.031 ( 12.101 -2.778 2.278) 12.623 17.368 ( 4.852 0.833 -3.112) 5.824 17.424 ( 9.177 2.344 -5.593) 11.000 17.516 ( -2.069 -2.767 -0.644) 3.515 17.597 ( 0.809 -1.611 -5.950) 6.217 17.689 ( -1.741 0.531 0.702) 1.950 17.717 ( -4.780 -0.705 -2.180) 5.300 17.892 ( -0.940 3.066 -0.336) 3.224 18.113 ( 1.504 -1.593 -6.710) 7.058 18.168 ( -1.082 -0.791 -4.809) 4.992 18.181 ( 6.190 -4.270 -5.372) 9.241 18.399 ( -4.505 1.611 5.131) 7.016 18.455 ( -3.354 0.691 3.251) 4.721 18.536 ( -4.741 -0.979 3.670) 6.075 18.570 ( -5.345 -2.231 4.417) 7.284 19.749 ( 30.100 -0.814 9.460) 31.562 19.965 ( 15.262 -4.133 3.725) 16.244 20.181 ( 0.674 -0.728 0.151) 1.003 20.202 ( 0.665 -1.066 1.387) 1.871 20.291 ( 7.950 3.754 -0.621) 8.813 20.697 ( 7.542 -6.242 -1.280) 9.873 20.998 ( 5.873 -4.270 -10.997) 13.178 21.186 ( -3.332 -5.111 -5.589) 8.274 21.585 ( 9.863 7.677 6.249) 13.974 21.807 ( 12.191 4.049 -0.768) 12.869 21.852 ( 8.773 -3.753 2.434) 9.848 22.220 ( 19.529 -15.765 -9.977) 27.008 22.394 ( -8.748 1.338 4.355) 9.863 22.505 ( -6.532 -4.319 2.693) 8.281 22.655 ( -4.772 1.683 -0.531) 5.088 22.797 ( -1.252 -3.027 -3.440) 4.750 24.733 ( 1.917 9.999 1.887) 10.355 24.967 ( -3.301 5.635 -0.760) 6.575 25.020 ( -5.852 11.315 -3.113) 13.114 25.063 ( -3.279 3.790 -1.036) 5.118 25.141 ( -0.766 2.255 -0.005) 2.382 25.232 ( -3.580 -5.008 1.659) 6.376 25.238 ( 2.135 -2.696 -1.419) 3.720 25.601 ( -10.841 -4.899 -5.434) 13.079 ======================= Grid point 45 (20/36) ======================= q-point: ( 0.43 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 15.671 1.086 2.693) 15.938 1.623 ( 12.798 3.359 1.812) 13.355 1.716 ( 0.475 -2.556 0.830) 2.729 1.800 ( 6.378 -1.446 4.197) 7.771 1.836 ( -6.852 -0.031 -1.098) 6.940 1.911 ( -3.147 -1.998 -0.395) 3.749 1.978 ( -1.377 -3.142 -0.105) 3.432 2.012 ( -1.716 0.860 -0.853) 2.101 2.026 ( -0.609 -0.921 -1.540) 1.895 2.029 ( -5.077 -3.549 0.399) 6.207 2.099 ( 1.275 -0.059 0.330) 1.319 2.128 ( -2.611 -2.253 -1.441) 3.738 2.202 ( 1.400 -0.841 -0.573) 1.731 2.221 ( 1.640 -2.243 0.392) 2.806 2.265 ( -2.702 0.193 -0.093) 2.711 2.308 ( -6.376 -1.990 0.772) 6.724 2.482 ( 0.657 7.789 0.810) 7.859 2.515 ( -0.602 4.049 -0.157) 4.097 2.544 ( -0.488 4.285 -0.101) 4.314 2.572 ( -2.893 4.598 0.398) 5.447 2.684 ( 1.490 -2.624 -4.313) 5.264 2.720 ( -2.736 -5.914 -4.999) 8.213 2.838 ( 4.016 -0.824 -3.502) 5.392 2.860 ( 2.740 -2.287 -2.338) 4.267 2.924 ( -0.556 -6.605 0.367) 6.638 2.985 ( -1.469 1.790 -3.036) 3.818 2.999 ( 2.064 0.007 -1.908) 2.811 3.047 ( 1.470 0.594 -2.573) 3.022 3.131 ( -1.758 1.588 -0.640) 2.454 3.173 ( -3.823 -1.858 -0.155) 4.253 3.197 ( 2.977 -1.348 -3.201) 4.574 3.242 ( 0.700 -0.484 -2.564) 2.701 3.434 ( 3.529 2.374 0.991) 4.367 3.513 ( -0.851 5.898 0.544) 5.984 3.555 ( 3.700 3.450 0.137) 5.061 3.729 ( -8.498 6.037 -2.369) 10.689 3.738 ( 7.716 -3.816 2.634) 9.002 3.781 ( 7.053 -1.640 -7.505) 10.428 3.868 ( -2.857 -2.996 -3.258) 5.268 3.944 ( -4.289 -1.372 -4.368) 6.274 4.231 ( 13.138 1.772 4.817) 14.105 4.327 ( 9.770 -1.758 7.769) 12.606 4.412 ( -3.871 0.370 0.931) 3.999 4.417 ( 0.632 0.093 0.737) 0.975 4.623 ( 10.880 -1.215 -3.007) 11.353 4.638 ( 10.682 -1.202 -3.343) 11.257 4.746 ( -0.255 -0.271 -4.052) 4.069 4.781 ( -4.077 -2.124 -3.852) 5.997 5.013 ( 4.943 -0.499 7.524) 9.017 5.033 ( 3.137 -1.096 6.934) 7.689 5.099 ( -3.418 0.106 4.569) 5.706 5.146 ( -7.266 -1.933 4.038) 8.534 5.399 ( 1.482 1.885 -1.411) 2.782 5.452 ( -3.504 1.382 -0.660) 3.824 5.492 ( 0.109 -1.158 -3.338) 3.535 5.531 ( -3.413 -1.206 -3.865) 5.296 5.674 ( 0.714 1.108 4.745) 4.925 5.694 ( 3.125 0.496 3.195) 4.497 5.736 ( -5.075 1.563 7.959) 9.568 5.786 ( -5.641 -0.334 4.332) 7.121 6.025 ( 0.701 0.967 -3.336) 3.543 6.067 ( 5.591 -0.844 -2.059) 6.017 6.076 ( -4.868 1.844 -2.752) 5.888 6.177 ( -4.973 -2.070 -1.649) 5.633 6.651 ( 7.685 1.945 -0.575) 7.948 6.731 ( 0.730 1.496 -1.220) 2.064 6.757 ( 7.881 -1.381 -1.184) 8.089 6.821 ( 3.081 -0.982 -3.022) 4.426 6.886 ( 4.084 4.563 5.124) 7.985 6.951 ( -0.712 0.859 5.339) 5.455 7.027 ( 5.533 -1.405 3.944) 6.938 7.058 ( 1.990 -2.683 5.033) 6.041 7.118 ( 1.681 1.656 1.161) 2.630 7.192 ( -4.108 -0.768 2.675) 4.962 7.222 ( -7.664 0.840 2.068) 7.982 7.254 ( -7.216 0.077 1.418) 7.354 7.572 ( 11.164 2.146 1.921) 11.530 7.682 ( 4.405 -2.142 -1.881) 5.247 7.786 ( -5.409 -0.735 -1.711) 5.720 7.791 ( -8.611 -0.711 -0.284) 8.645 8.194 ( 2.615 4.696 -0.981) 5.464 8.292 ( -6.452 2.708 3.586) 7.863 8.378 ( 1.912 -0.940 0.238) 2.144 8.420 ( -1.258 -1.699 0.220) 2.125 8.506 ( 4.322 1.945 0.618) 4.780 8.590 ( -4.799 1.361 -2.249) 5.471 8.688 ( 7.426 -5.753 -3.075) 9.885 8.699 ( 3.622 -2.320 -7.697) 8.817 8.945 ( 6.772 1.703 4.282) 8.191 9.080 ( 15.152 -2.779 0.854) 15.428 9.192 ( -9.938 1.715 3.162) 10.569 9.250 ( 7.504 0.271 -1.657) 7.689 9.261 ( 4.535 -0.139 -2.533) 5.196 9.315 ( -4.441 -0.928 0.402) 4.555 9.357 ( -6.797 -1.479 -1.195) 7.058 9.388 ( -6.190 -0.895 0.551) 6.279 9.700 ( 6.934 1.370 -9.574) 11.900 9.784 ( 5.638 -2.349 -12.583) 13.987 9.836 ( -4.560 0.381 -7.207) 8.537 9.885 ( -4.383 -2.561 -7.115) 8.740 9.992 ( -0.473 3.183 -0.179) 3.223 10.044 ( -4.919 2.249 0.067) 5.409 10.105 ( -3.012 -0.400 -0.889) 3.166 10.121 ( -4.734 -0.702 -2.830) 5.559 10.568 ( 1.598 0.350 -0.449) 1.696 10.590 ( -1.067 -0.488 -0.504) 1.277 10.610 ( -2.802 0.711 -2.749) 3.989 10.620 ( -3.288 0.381 -3.581) 4.876 10.941 ( 4.808 -0.412 15.407) 16.145 10.952 ( 3.873 -0.771 16.509) 16.975 11.084 ( -9.020 -0.050 13.823) 16.506 11.091 ( -9.843 -0.218 12.695) 16.066 11.544 ( 2.681 0.866 3.567) 4.545 11.547 ( 3.635 0.827 3.307) 4.984 11.588 ( -1.561 0.797 1.058) 2.047 11.639 ( -4.969 -0.930 1.803) 5.367 11.799 ( 6.292 1.395 -2.446) 6.893 11.871 ( 3.201 -0.463 -1.636) 3.624 11.887 ( -0.809 0.603 0.216) 1.032 11.915 ( -0.465 0.792 1.124) 1.452 12.233 ( -4.120 0.963 -6.015) 7.354 12.294 ( -9.404 0.178 -3.954) 10.203 12.308 ( -5.424 -1.382 -4.959) 7.478 12.328 ( -6.543 -0.963 -4.566) 8.037 13.689 ( 4.864 0.247 -1.391) 5.065 13.698 ( 5.577 -0.098 -1.901) 5.893 13.789 ( -4.742 0.538 -3.372) 5.843 13.811 ( -5.323 -0.312 -4.167) 6.767 14.610 ( 4.076 3.806 4.985) 7.480 14.629 ( 2.287 3.293 5.593) 6.881 14.773 ( 9.106 -3.414 0.742) 9.754 14.902 ( -4.070 -6.424 -0.844) 7.651 16.069 ( 11.316 0.711 2.679) 11.650 16.080 ( 7.665 0.164 1.870) 7.892 16.198 ( -4.842 1.118 1.665) 5.241 16.251 ( -6.527 -0.591 1.412) 6.704 16.272 ( 1.397 -0.172 -1.803) 2.288 16.282 ( 0.839 -0.302 -1.918) 2.116 16.321 ( -2.861 0.452 -0.526) 2.944 16.335 ( -3.427 -0.077 0.315) 3.442 17.181 ( 10.471 1.210 3.688) 11.167 17.255 ( 10.249 -1.560 2.587) 10.685 17.321 ( -4.488 1.837 1.914) 5.213 17.420 ( -6.586 -1.898 1.247) 6.967 17.588 ( 3.400 -0.839 -5.002) 6.106 17.607 ( 0.523 -0.785 -4.171) 4.276 17.639 ( -2.691 -0.314 -2.624) 3.772 17.641 ( -2.646 -0.873 -2.913) 4.031 18.014 ( 9.653 4.322 0.645) 10.596 18.145 ( -2.784 1.265 -0.849) 3.174 18.170 ( 4.421 -0.316 -3.106) 5.412 18.267 ( -3.320 -3.388 -1.681) 5.033 18.349 ( 4.285 0.312 0.696) 4.352 18.396 ( -0.666 -0.439 1.670) 1.851 18.447 ( -4.409 -0.460 0.504) 4.462 18.462 ( -5.714 -1.153 1.262) 5.965 20.080 ( 6.121 1.457 2.470) 6.759 20.147 ( -1.000 0.709 1.487) 1.927 20.210 ( 3.745 -2.069 -0.535) 4.312 20.236 ( 1.136 -3.405 0.445) 3.617 20.622 ( 25.230 4.219 1.532) 25.626 20.873 ( 8.889 -4.523 -1.450) 10.078 21.003 ( -4.390 -1.808 -4.416) 6.484 21.027 ( -13.583 -1.408 -2.734) 13.926 21.840 ( 15.364 4.314 4.103) 16.477 22.050 ( 12.515 -4.044 3.292) 13.558 22.139 ( 2.448 3.973 0.474) 4.691 22.159 ( 1.529 3.775 1.848) 4.473 22.303 ( -11.704 -4.177 3.077) 12.803 22.455 ( -8.800 4.200 -3.623) 10.402 22.589 ( 7.810 -11.137 -6.467) 15.061 22.738 ( -5.178 -6.013 -5.384) 9.589 24.794 ( 4.281 6.196 1.162) 7.620 24.889 ( -4.882 3.768 0.703) 6.207 24.956 ( -0.140 9.709 -2.668) 10.070 24.994 ( -3.360 5.193 -1.609) 6.391 25.139 ( 0.477 -1.223 1.218) 1.791 25.166 ( -2.384 -3.346 2.244) 4.681 25.304 ( 4.167 -3.941 -2.474) 6.247 25.416 ( -7.595 -5.077 -3.485) 9.778 ======================= Grid point 49 (21/36) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 0.000 -17.671 13.738) 22.383 1.068 ( 0.000 17.671 13.738) 22.383 1.208 ( 0.000 -19.600 14.027) 24.102 1.208 ( 0.000 19.600 14.027) 24.102 1.702 ( 0.000 -11.991 4.168) 12.695 1.702 ( 0.000 11.991 4.168) 12.695 1.873 ( 0.000 -1.742 -9.937) 10.088 1.873 ( 0.000 1.742 -9.937) 10.088 1.999 ( 0.000 -5.939 -0.745) 5.986 1.999 ( 0.000 5.939 -0.745) 5.986 2.193 ( 0.000 -3.782 4.020) 5.520 2.193 ( 0.000 3.782 4.020) 5.520 2.390 ( 0.000 -2.461 -2.397) 3.436 2.390 ( 0.000 2.461 -2.397) 3.436 2.409 ( 0.000 -0.260 2.420) 2.434 2.409 ( 0.000 0.260 2.420) 2.434 2.427 ( 0.000 -0.220 -2.316) 2.327 2.427 ( 0.000 0.220 -2.316) 2.327 2.560 ( 0.000 -6.565 2.239) 6.936 2.560 ( 0.000 6.565 2.239) 6.936 2.653 ( 0.000 -7.732 3.785) 8.609 2.653 ( 0.000 7.732 3.785) 8.609 2.792 ( 0.000 -4.553 1.650) 4.843 2.792 ( 0.000 4.553 1.650) 4.843 2.837 ( 0.000 -4.976 -0.803) 5.040 2.837 ( 0.000 4.976 -0.803) 5.040 2.937 ( 0.000 -4.571 0.598) 4.610 2.937 ( 0.000 4.571 0.598) 4.610 3.024 ( 0.000 -2.670 -1.502) 3.063 3.024 ( 0.000 2.670 -1.502) 3.063 3.088 ( 0.000 -0.133 7.430) 7.431 3.088 ( 0.000 0.133 7.430) 7.431 3.377 ( 0.000 -0.008 -4.935) 4.935 3.377 ( 0.000 0.008 -4.935) 4.935 3.591 ( 0.000 -1.051 -6.534) 6.618 3.591 ( 0.000 1.051 -6.534) 6.618 3.862 ( 0.000 -2.405 -7.838) 8.199 3.862 ( 0.000 2.405 -7.838) 8.199 4.045 ( 0.000 -0.144 -14.799) 14.800 4.045 ( 0.000 0.144 -14.799) 14.800 4.153 ( 0.000 -5.031 5.078) 7.148 4.153 ( 0.000 5.031 5.078) 7.148 4.264 ( 0.000 -0.991 -0.395) 1.067 4.264 ( 0.000 0.991 -0.395) 1.067 4.381 ( 0.000 -1.851 -3.655) 4.097 4.381 ( 0.000 1.851 -3.655) 4.097 4.509 ( 0.000 -1.730 -2.497) 3.038 4.509 ( 0.000 1.730 -2.497) 3.038 4.951 ( 0.000 -3.685 1.543) 3.995 4.951 ( 0.000 3.685 1.543) 3.995 5.209 ( 0.000 -1.235 -9.199) 9.281 5.209 ( 0.000 1.235 -9.199) 9.281 5.385 ( 0.000 -2.195 2.728) 3.501 5.385 ( 0.000 2.195 2.728) 3.501 5.608 ( 0.000 -0.634 2.661) 2.736 5.608 ( 0.000 0.634 2.661) 2.736 5.744 ( 0.000 -1.058 5.485) 5.586 5.744 ( 0.000 1.058 5.485) 5.586 5.819 ( 0.000 -0.855 1.797) 1.990 5.819 ( 0.000 0.855 1.797) 1.990 5.845 ( 0.000 -3.527 7.860) 8.615 5.845 ( 0.000 3.527 7.860) 8.615 6.226 ( 0.000 -6.730 -6.222) 9.166 6.226 ( 0.000 6.730 -6.222) 9.166 6.396 ( 0.000 -1.975 6.064) 6.378 6.396 ( 0.000 1.975 6.064) 6.378 6.588 ( 0.000 -0.698 5.017) 5.065 6.588 ( 0.000 0.698 5.017) 5.065 6.762 ( 0.000 -0.257 -3.686) 3.695 6.762 ( 0.000 0.257 -3.686) 3.695 6.958 ( 0.000 -0.549 -5.189) 5.218 6.958 ( 0.000 0.549 -5.189) 5.218 7.074 ( 0.000 -3.549 1.841) 3.998 7.074 ( 0.000 3.549 1.841) 3.998 7.406 ( 0.000 -2.837 1.905) 3.417 7.406 ( 0.000 2.837 1.905) 3.417 7.499 ( 0.000 -0.489 1.817) 1.881 7.499 ( 0.000 0.489 1.817) 1.881 7.951 ( 0.000 -1.950 -0.464) 2.004 7.951 ( 0.000 1.950 -0.464) 2.004 8.054 ( 0.000 -0.709 2.646) 2.739 8.054 ( 0.000 0.709 2.646) 2.739 8.170 ( 0.000 -2.301 -1.216) 2.603 8.170 ( 0.000 2.301 -1.216) 2.603 8.385 ( 0.000 -4.681 -2.493) 5.303 8.385 ( 0.000 4.681 -2.493) 5.303 8.597 ( 0.000 -3.951 -5.401) 6.692 8.597 ( 0.000 3.951 -5.401) 6.692 8.981 ( 0.000 -1.235 1.051) 1.621 8.981 ( 0.000 1.235 1.051) 1.621 9.000 ( 0.000 -0.730 0.715) 1.022 9.000 ( 0.000 0.730 0.715) 1.022 9.329 ( 0.000 -1.776 3.805) 4.199 9.329 ( 0.000 1.776 3.805) 4.199 9.489 ( 0.000 -1.330 -1.459) 1.974 9.489 ( 0.000 1.330 -1.459) 1.974 9.550 ( 0.000 -0.138 7.845) 7.846 9.550 ( 0.000 0.138 7.845) 7.846 9.885 ( 0.000 -1.049 -4.591) 4.710 9.885 ( 0.000 1.049 -4.591) 4.710 10.187 ( 0.000 -2.533 5.861) 6.385 10.187 ( 0.000 2.533 5.861) 6.385 10.517 ( 0.000 -4.008 7.545) 8.544 10.517 ( 0.000 4.008 7.545) 8.544 10.553 ( 0.000 -5.217 2.595) 5.827 10.553 ( 0.000 5.217 2.595) 5.827 10.811 ( 0.000 -1.470 4.774) 4.995 10.811 ( 0.000 1.470 4.774) 4.995 10.850 ( 0.000 -1.330 -3.393) 3.644 10.850 ( 0.000 1.330 -3.393) 3.644 11.402 ( 0.000 -0.146 -8.265) 8.266 11.402 ( 0.000 0.146 -8.265) 8.266 11.475 ( 0.000 -0.568 1.945) 2.027 11.475 ( 0.000 0.568 1.945) 2.027 11.682 ( 0.000 -1.251 -0.512) 1.352 11.682 ( 0.000 1.251 -0.512) 1.352 11.750 ( 0.000 -5.076 14.606) 15.463 11.750 ( 0.000 5.076 14.606) 15.463 12.144 ( 0.000 -6.839 16.601) 17.955 12.144 ( 0.000 6.839 16.601) 17.955 12.704 ( 0.000 -2.439 -9.404) 9.715 12.704 ( 0.000 2.439 -9.404) 9.715 13.014 ( 0.000 -1.669 -4.699) 4.987 13.014 ( 0.000 1.669 -4.699) 4.987 13.684 ( 0.000 -0.868 2.627) 2.767 13.684 ( 0.000 0.868 2.627) 2.767 13.874 ( 0.000 -1.335 3.377) 3.631 13.874 ( 0.000 1.335 3.377) 3.631 14.038 ( 0.000 -1.682 -5.332) 5.591 14.038 ( 0.000 1.682 -5.332) 5.591 14.211 ( 0.000 -1.299 -1.928) 2.325 14.211 ( 0.000 1.299 -1.928) 2.325 15.141 ( 0.000 -0.516 9.511) 9.525 15.141 ( 0.000 0.516 9.511) 9.525 16.069 ( 0.000 -2.373 -13.841) 14.043 16.069 ( 0.000 2.373 -13.841) 14.043 16.448 ( 0.000 -1.541 5.070) 5.299 16.448 ( 0.000 1.541 5.070) 5.299 16.540 ( 0.000 -0.158 2.452) 2.457 16.540 ( 0.000 0.158 2.452) 2.457 16.666 ( 0.000 -0.250 2.262) 2.276 16.666 ( 0.000 0.250 2.262) 2.276 16.976 ( 0.000 -5.673 -4.852) 7.465 16.976 ( 0.000 5.673 -4.852) 7.465 17.582 ( 0.000 -2.924 5.826) 6.519 17.582 ( 0.000 2.924 5.826) 6.519 17.743 ( 0.000 -0.994 2.188) 2.404 17.743 ( 0.000 0.994 2.188) 2.404 18.152 ( 0.000 -2.071 -5.078) 5.484 18.152 ( 0.000 2.071 -5.078) 5.484 18.226 ( 0.000 -0.938 -7.082) 7.144 18.226 ( 0.000 0.938 -7.082) 7.144 18.499 ( 0.000 -2.747 5.706) 6.333 18.499 ( 0.000 2.747 5.706) 6.333 18.733 ( 0.000 -5.913 0.009) 5.913 18.733 ( 0.000 5.913 0.009) 5.913 18.923 ( 0.000 -6.379 26.065) 26.835 18.923 ( 0.000 6.379 26.065) 26.835 20.174 ( 0.000 -0.449 -2.636) 2.674 20.174 ( 0.000 0.449 -2.636) 2.674 20.383 ( 0.000 -5.930 -0.807) 5.985 20.383 ( 0.000 5.930 -0.807) 5.985 20.811 ( 0.000 -16.773 -20.693) 26.637 20.811 ( 0.000 16.773 -20.693) 26.637 21.507 ( 0.000 -2.737 10.098) 10.463 21.507 ( 0.000 2.737 10.098) 10.463 21.690 ( 0.000 -0.561 0.343) 0.658 21.690 ( 0.000 0.561 0.343) 0.658 22.574 ( 0.000 -1.563 2.794) 3.201 22.574 ( 0.000 1.563 2.794) 3.201 22.755 ( 0.000 -2.444 -0.926) 2.614 22.755 ( 0.000 2.444 -0.926) 2.614 25.025 ( 0.000 -12.991 2.722) 13.273 25.025 ( 0.000 12.991 2.722) 13.273 25.093 ( 0.000 -5.572 2.365) 6.053 25.093 ( 0.000 5.572 2.365) 6.053 25.133 ( 0.000 -1.656 -0.522) 1.736 25.133 ( 0.000 1.656 -0.522) 1.736 25.832 ( 0.000 -7.310 -17.789) 19.232 25.832 ( 0.000 7.310 -17.789) 19.232 ======================= Grid point 51 (22/36) ======================= q-point: ( 0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 12.182 -14.790 11.223) 22.206 1.206 ( 12.182 14.790 11.223) 22.206 1.286 ( 7.031 -18.889 9.889) 22.451 1.286 ( 7.031 18.889 9.889) 22.451 1.785 ( 6.953 -4.579 -0.029) 8.326 1.785 ( 6.953 4.579 -0.029) 8.326 1.891 ( 1.862 -2.985 -6.863) 7.712 1.891 ( 1.862 2.985 -6.863) 7.712 2.053 ( 3.561 -4.531 -0.667) 5.801 2.053 ( 3.561 4.531 -0.667) 5.801 2.206 ( 0.768 -3.350 2.562) 4.287 2.206 ( 0.768 3.350 2.562) 4.287 2.315 ( -5.612 -2.341 0.177) 6.083 2.315 ( -5.612 2.341 0.177) 6.083 2.411 ( 0.016 -0.807 -3.364) 3.459 2.411 ( 0.016 0.807 -3.364) 3.459 2.482 ( 5.961 -3.679 1.820) 7.238 2.482 ( 5.961 3.679 1.820) 7.238 2.637 ( 3.432 -1.210 1.140) 3.814 2.637 ( 3.432 1.210 1.140) 3.814 2.662 ( 1.916 -2.192 1.166) 3.136 2.662 ( 1.916 2.192 1.166) 3.136 2.729 ( -4.218 -5.193 -0.819) 6.741 2.729 ( -4.218 5.193 -0.819) 6.741 2.854 ( 3.558 -6.583 4.092) 8.529 2.854 ( 3.558 6.583 4.092) 8.529 2.983 ( -2.233 -2.928 -0.996) 3.815 2.983 ( -2.233 2.928 -0.996) 3.815 3.030 ( 3.523 -3.412 3.039) 5.770 3.030 ( 3.523 3.412 3.039) 5.770 3.235 ( 13.665 -2.926 0.779) 13.996 3.235 ( 13.665 2.926 0.779) 13.996 3.380 ( -0.834 -1.959 -4.844) 5.291 3.380 ( -0.834 1.959 -4.844) 5.291 3.517 ( -7.544 -0.652 -7.349) 10.552 3.517 ( -7.544 0.652 -7.349) 10.552 3.673 ( -5.746 -1.692 -0.605) 6.021 3.673 ( -5.746 1.692 -0.605) 6.021 4.036 ( -2.447 -2.260 -7.212) 7.944 4.036 ( -2.447 2.260 -7.212) 7.944 4.120 ( -5.461 -2.762 1.818) 6.384 4.120 ( -5.461 2.762 1.818) 6.384 4.267 ( -1.033 -2.425 0.193) 2.643 4.267 ( -1.033 2.425 0.193) 2.643 4.353 ( 5.896 -1.820 -2.303) 6.586 4.353 ( 5.896 1.820 -2.303) 6.586 4.617 ( 6.239 -1.121 -2.625) 6.861 4.617 ( 6.239 1.121 -2.625) 6.861 4.955 ( -0.283 -2.529 2.774) 3.764 4.955 ( -0.283 2.529 2.774) 3.764 5.282 ( 0.143 -1.442 -8.407) 8.531 5.282 ( 0.143 1.442 -8.407) 8.531 5.328 ( 0.746 -2.701 1.400) 3.132 5.328 ( 0.746 2.701 1.400) 3.132 5.658 ( 0.517 -0.746 -0.978) 1.335 5.658 ( 0.517 0.746 -0.978) 1.335 5.720 ( -2.024 -0.634 3.400) 4.007 5.720 ( -2.024 0.634 3.400) 4.007 5.852 ( 2.819 -1.467 7.363) 8.019 5.852 ( 2.819 1.467 7.363) 8.019 5.926 ( 5.824 -0.987 0.938) 5.981 5.926 ( 5.824 0.987 0.938) 5.981 6.253 ( 1.596 -6.283 -7.450) 9.876 6.253 ( 1.596 6.283 -7.450) 9.876 6.425 ( 1.558 -2.708 5.524) 6.347 6.425 ( 1.558 2.708 5.524) 6.347 6.583 ( 2.003 -2.166 8.380) 8.884 6.583 ( 2.003 2.166 8.380) 8.884 6.754 ( 0.830 -1.138 -4.044) 4.283 6.754 ( 0.830 1.138 -4.044) 4.283 6.953 ( 2.480 -3.326 -0.617) 4.194 6.953 ( 2.480 3.326 -0.617) 4.194 7.169 ( 3.667 -1.498 -1.764) 4.336 7.169 ( 3.667 1.498 -1.764) 4.336 7.443 ( 3.062 -1.183 4.530) 5.595 7.443 ( 3.062 1.183 4.530) 5.595 7.524 ( -0.702 -1.409 -0.277) 1.598 7.524 ( -0.702 1.409 -0.277) 1.598 7.946 ( -0.457 -1.936 -0.361) 2.022 7.946 ( -0.457 1.936 -0.361) 2.022 8.054 ( 4.191 -1.058 3.648) 5.656 8.054 ( 4.191 1.058 3.648) 5.656 8.322 ( 9.726 -0.881 -6.103) 11.515 8.322 ( 9.726 0.881 -6.103) 11.515 8.361 ( -0.771 -2.831 -2.915) 4.136 8.361 ( -0.771 2.831 -2.915) 4.136 8.566 ( -1.710 -2.984 0.164) 3.443 8.566 ( -1.710 2.984 0.164) 3.443 8.955 ( -1.713 -0.640 -0.006) 1.829 8.955 ( -1.713 0.640 -0.006) 1.829 9.070 ( 3.769 -1.020 -1.224) 4.092 9.070 ( 3.769 1.020 -1.224) 4.092 9.377 ( 2.825 -1.645 -1.600) 3.639 9.377 ( 2.825 1.645 -1.600) 3.639 9.463 ( -1.307 -1.032 -0.137) 1.671 9.463 ( -1.307 1.032 -0.137) 1.671 9.573 ( 2.061 -1.977 3.203) 4.291 9.573 ( 2.061 1.977 3.203) 4.291 9.892 ( 0.490 -1.067 -4.205) 4.366 9.892 ( 0.490 1.067 -4.205) 4.366 10.164 ( -2.474 -2.741 5.822) 6.894 10.164 ( -2.474 2.741 5.822) 6.894 10.372 ( -8.155 -0.266 2.174) 8.444 10.372 ( -8.155 0.266 2.174) 8.444 10.626 ( 1.259 -2.843 3.525) 4.700 10.626 ( 1.259 2.843 3.525) 4.700 10.789 ( -3.596 -0.980 -3.963) 5.440 10.789 ( -3.596 0.980 -3.963) 5.440 10.848 ( 1.510 -1.625 8.909) 9.181 10.848 ( 1.510 1.625 8.909) 9.181 11.343 ( -3.534 -0.370 -4.146) 5.461 11.343 ( -3.534 0.370 -4.146) 5.461 11.531 ( 2.050 -0.691 2.395) 3.228 11.531 ( 2.050 0.691 2.395) 3.228 11.664 ( -0.582 -3.922 2.851) 4.884 11.664 ( -0.582 3.922 2.851) 4.884 11.730 ( -1.222 -3.293 6.477) 7.368 11.730 ( -1.222 3.293 6.477) 7.368 12.055 ( -7.056 -3.496 12.623) 14.878 12.055 ( -7.056 3.496 12.623) 14.878 12.631 ( -7.280 -2.690 -9.020) 11.899 12.631 ( -7.280 2.690 -9.020) 11.899 12.839 ( -15.084 -1.845 -5.542) 16.175 12.839 ( -15.084 1.845 -5.542) 16.175 13.636 ( -3.025 -0.745 3.278) 4.522 13.636 ( -3.025 0.745 3.278) 4.522 13.865 ( 1.839 -0.741 -1.227) 2.332 13.865 ( 1.839 0.741 -1.227) 2.332 14.260 ( 14.365 -0.978 0.898) 14.426 14.260 ( 14.365 0.978 0.898) 14.426 14.417 ( 15.907 -13.536 -0.947) 20.909 14.417 ( 15.907 13.536 -0.947) 20.909 15.436 ( 23.482 -1.198 4.337) 23.910 15.436 ( 23.482 1.198 4.337) 23.910 16.138 ( 5.672 -1.470 -11.134) 12.581 16.138 ( 5.672 1.470 -11.134) 12.581 16.414 ( -3.171 -0.976 4.086) 5.264 16.414 ( -3.171 0.976 4.086) 5.264 16.497 ( -3.719 -0.551 1.759) 4.151 16.497 ( -3.719 0.551 1.759) 4.151 16.750 ( 8.194 -2.124 2.556) 8.842 16.750 ( 8.194 2.124 2.556) 8.842 17.138 ( 15.602 -4.611 -8.624) 18.414 17.138 ( 15.602 4.611 -8.624) 18.414 17.558 ( -2.173 -3.220 4.418) 5.884 17.558 ( -2.173 3.220 4.418) 5.884 17.737 ( -0.665 -1.374 2.219) 2.694 17.737 ( -0.665 1.374 2.219) 2.694 18.048 ( -7.129 -1.745 -3.732) 8.234 18.048 ( -7.129 1.745 -3.732) 8.234 18.189 ( -2.957 -0.887 -7.034) 7.681 18.189 ( -2.957 0.887 -7.034) 7.681 18.504 ( -0.776 -1.766 5.106) 5.458 18.504 ( -0.776 1.766 5.106) 5.458 18.625 ( -5.872 -3.802 6.153) 9.316 18.625 ( -5.872 3.802 6.153) 9.316 19.251 ( 26.340 -9.216 17.215) 32.789 19.251 ( 26.340 9.216 17.215) 32.789 20.174 ( 0.058 -0.575 -1.536) 1.641 20.174 ( 0.058 0.575 -1.536) 1.641 20.402 ( 1.885 -10.002 -0.174) 10.179 20.402 ( 1.885 10.002 -0.174) 10.179 20.926 ( 9.505 -13.718 -19.947) 26.008 20.926 ( 9.505 13.718 -19.947) 26.008 21.573 ( 6.940 -5.834 8.355) 12.329 21.573 ( 6.940 5.834 8.355) 12.329 21.729 ( 4.617 -2.417 0.359) 5.223 21.729 ( 4.617 2.417 0.359) 5.223 22.544 ( -3.217 -1.904 3.032) 4.814 22.544 ( -3.217 1.904 3.032) 4.814 22.753 ( -0.430 -2.795 -1.406) 3.158 22.753 ( -0.430 2.795 -1.406) 3.158 25.006 ( -1.768 -13.051 2.778) 13.460 25.006 ( -1.768 13.051 2.778) 13.460 25.082 ( -1.163 -4.292 1.775) 4.788 25.082 ( -1.163 4.292 1.775) 4.788 25.145 ( 1.142 -1.913 -0.606) 2.309 25.145 ( 1.142 1.913 -0.606) 2.309 25.687 ( -12.707 -10.623 -13.618) 21.442 25.687 ( -12.707 10.623 -13.618) 21.442 ======================= Grid point 53 (23/36) ======================= q-point: ( 0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 9.640 -8.884 4.365) 13.817 1.415 ( 9.640 8.884 4.365) 13.817 1.516 ( 14.085 -5.398 9.078) 17.605 1.516 ( 14.085 5.398 9.078) 17.605 1.885 ( 2.879 -0.475 -5.525) 6.248 1.885 ( 2.879 0.475 -5.525) 6.248 1.929 ( 1.057 -2.601 -1.642) 3.252 1.929 ( 1.057 2.601 -1.642) 3.252 2.086 ( -0.451 -2.585 0.388) 2.652 2.086 ( -0.451 2.585 0.388) 2.652 2.185 ( -5.183 -3.919 -0.059) 6.498 2.185 ( -5.183 3.919 -0.059) 6.498 2.209 ( -2.030 -2.512 0.740) 3.314 2.209 ( -2.030 2.512 0.740) 3.314 2.381 ( -4.062 -2.931 -3.406) 6.058 2.381 ( -4.062 2.931 -3.406) 6.058 2.586 ( 1.725 -3.574 -2.923) 4.929 2.586 ( 1.725 3.574 -2.923) 4.929 2.629 ( -2.059 -4.369 -1.447) 5.042 2.629 ( -2.059 4.369 -1.447) 5.042 2.671 ( -0.053 -7.888 0.979) 7.948 2.671 ( -0.053 7.888 0.979) 7.948 2.772 ( 5.674 -3.774 -0.966) 6.883 2.772 ( 5.674 3.774 -0.966) 6.883 2.859 ( -4.157 -3.577 -2.839) 6.175 2.859 ( -4.157 3.577 -2.839) 6.175 3.029 ( 5.003 -2.826 1.895) 6.050 3.029 ( 5.003 2.826 1.895) 6.050 3.116 ( 6.386 -2.363 2.224) 7.163 3.116 ( 6.386 2.363 2.224) 7.163 3.252 ( -5.777 -3.741 0.725) 6.920 3.252 ( -5.777 3.741 0.725) 6.920 3.415 ( 3.335 -2.085 -3.367) 5.177 3.415 ( 3.335 2.085 -3.367) 5.177 3.496 ( 6.528 -4.558 -1.325) 8.071 3.496 ( 6.528 4.558 -1.325) 8.071 3.819 ( 9.797 -1.571 -0.652) 9.944 3.819 ( 9.797 1.571 -0.652) 9.943 3.912 ( -5.673 -3.974 -0.526) 6.946 3.912 ( -5.673 3.974 -0.526) 6.946 4.087 ( 3.061 -4.212 3.141) 6.081 4.087 ( 3.061 4.212 3.141) 6.081 4.369 ( 10.324 -1.465 -2.657) 10.760 4.369 ( 10.324 1.465 -2.657) 10.760 4.430 ( 1.821 -0.759 -3.501) 4.019 4.430 ( 1.821 0.759 -3.501) 4.019 4.719 ( 4.051 -2.501 -4.217) 6.360 4.719 ( 4.051 2.501 -4.217) 6.360 4.962 ( 1.336 -0.708 7.340) 7.494 4.962 ( 1.336 0.708 7.340) 7.494 5.208 ( -4.496 -2.637 1.361) 5.386 5.208 ( -4.496 2.637 1.361) 5.386 5.398 ( 3.073 -2.382 -3.720) 5.381 5.398 ( 3.073 2.382 -3.720) 5.381 5.603 ( -4.908 -1.079 -1.871) 5.362 5.603 ( -4.908 1.079 -1.871) 5.362 5.691 ( -0.969 -0.470 2.465) 2.690 5.691 ( -0.969 0.470 2.465) 2.690 5.858 ( -2.478 -1.739 8.042) 8.593 5.858 ( -2.478 1.739 8.042) 8.593 6.005 ( 1.832 -1.517 -2.813) 3.684 6.005 ( 1.832 1.517 -2.813) 3.684 6.221 ( -4.510 -1.462 -4.275) 6.383 6.221 ( -4.510 1.462 -4.275) 6.383 6.512 ( 8.746 -2.681 1.523) 9.273 6.512 ( 8.746 2.681 1.523) 9.273 6.691 ( 6.503 -2.023 3.548) 7.679 6.691 ( 6.503 2.023 3.548) 7.679 6.831 ( 7.011 -0.503 1.839) 7.266 6.831 ( 7.011 0.503 1.839) 7.266 7.007 ( 1.294 -2.305 2.597) 3.706 7.007 ( 1.294 2.305 2.597) 3.706 7.186 ( -0.788 -1.882 -0.742) 2.171 7.186 ( -0.788 1.882 -0.742) 2.171 7.400 ( -7.377 -2.192 0.672) 7.725 7.400 ( -7.377 2.192 0.672) 7.725 7.530 ( 2.631 -4.765 2.223) 5.879 7.530 ( 2.631 4.765 2.223) 5.879 7.895 ( -4.462 -1.565 -0.800) 4.796 7.895 ( -4.462 1.565 -0.800) 4.796 8.246 ( 8.116 -5.275 -2.491) 9.995 8.246 ( 8.116 5.275 -2.491) 9.995 8.345 ( 5.536 -0.549 1.509) 5.764 8.345 ( 5.536 0.549 1.509) 5.764 8.447 ( 0.678 -0.764 2.111) 2.345 8.447 ( 0.678 0.764 2.111) 2.345 8.610 ( 5.043 -1.242 -6.038) 7.964 8.610 ( 5.043 1.242 -6.038) 7.964 8.915 ( -1.471 -1.487 3.545) 4.116 8.915 ( -1.471 1.487 3.545) 4.116 9.140 ( 4.763 -1.911 -4.327) 6.713 9.140 ( 4.763 1.911 -4.327) 6.713 9.358 ( -3.400 -1.973 1.229) 4.119 9.358 ( -3.400 1.973 1.229) 4.119 9.451 ( -2.084 -1.175 -1.978) 3.104 9.451 ( -2.084 1.175 -1.978) 3.104 9.635 ( 4.154 -2.945 -6.302) 8.102 9.635 ( 4.154 2.945 -6.302) 8.102 9.893 ( -0.694 -1.279 -4.497) 4.726 9.893 ( -0.694 1.279 -4.497) 4.726 10.093 ( -3.945 -2.764 4.038) 6.286 10.093 ( -3.945 2.764 4.038) 6.286 10.230 ( -6.555 -0.597 -1.265) 6.703 10.230 ( -6.555 0.597 -1.265) 6.703 10.604 ( -2.350 -2.128 1.453) 3.487 10.604 ( -2.350 2.128 1.453) 3.487 10.702 ( -4.472 -0.408 -5.577) 7.160 10.702 ( -4.472 0.408 -5.577) 7.160 10.885 ( 1.777 -1.043 14.688) 14.832 10.885 ( 1.777 1.043 14.688) 14.832 11.257 ( -6.363 -0.555 2.457) 6.843 11.257 ( -6.363 0.555 2.457) 6.843 11.527 ( -0.362 -1.223 8.361) 8.458 11.527 ( -0.362 1.223 8.361) 8.458 11.661 ( -2.479 -3.436 2.184) 4.767 11.661 ( -2.479 3.436 2.184) 4.767 11.742 ( 4.207 -3.254 -2.331) 5.807 11.742 ( 4.207 3.254 -2.331) 5.807 11.944 ( -3.251 -0.871 5.951) 6.837 11.944 ( -3.251 0.871 5.951) 6.837 12.442 ( -10.880 -2.689 -7.611) 13.548 12.442 ( -10.880 2.689 -7.611) 13.548 12.536 ( -14.413 -0.868 -5.072) 15.304 12.536 ( -14.413 0.868 -5.072) 15.304 13.620 ( 1.777 -0.183 1.438) 2.293 13.620 ( 1.777 0.183 1.438) 2.293 13.872 ( -1.739 -0.794 -3.835) 4.285 13.872 ( -1.739 0.794 -3.835) 4.285 14.520 ( 11.279 -1.250 3.502) 11.876 14.520 ( 11.279 1.250 3.502) 11.876 14.671 ( 8.512 -12.088 0.617) 14.797 14.671 ( 8.512 12.088 0.617) 14.797 15.839 ( 16.120 -2.098 2.665) 16.473 15.839 ( 16.120 2.098 2.665) 16.473 16.228 ( 3.009 -0.589 -5.490) 6.288 16.228 ( 3.009 0.589 -5.490) 6.288 16.335 ( -4.684 -1.709 2.320) 5.499 16.335 ( -4.684 1.709 2.320) 5.499 16.412 ( -4.628 -0.699 0.976) 4.781 16.412 ( -4.628 0.699 0.976) 4.781 16.968 ( 13.224 -2.986 3.341) 13.963 16.968 ( 13.224 2.986 3.341) 13.963 17.408 ( 4.828 -2.853 -5.481) 7.842 17.408 ( 4.828 2.853 -5.481) 7.842 17.535 ( 2.256 -3.697 -2.663) 5.085 17.535 ( 2.256 3.697 -2.663) 5.085 17.703 ( -3.248 -0.739 -0.033) 3.331 17.703 ( -3.248 0.739 -0.033) 3.331 17.996 ( 3.823 -7.101 -2.713) 8.509 17.996 ( 3.823 7.101 -2.713) 8.509 18.156 ( 0.252 -0.468 -5.435) 5.461 18.156 ( 0.252 0.468 -5.435) 5.461 18.443 ( -4.753 -2.029 5.705) 7.698 18.443 ( -4.753 2.029 5.705) 7.698 18.533 ( -4.013 -1.044 3.301) 5.300 18.533 ( -4.013 1.044 3.301) 5.300 19.812 ( 26.620 -7.135 9.302) 29.087 19.812 ( 26.620 7.135 9.302) 29.087 20.178 ( 0.352 -0.623 -0.056) 0.718 20.178 ( 0.352 0.623 -0.056) 0.718 20.477 ( 7.358 -12.010 1.422) 14.156 20.477 ( 7.358 12.010 1.422) 14.156 21.059 ( 2.141 -6.548 -12.303) 14.100 21.059 ( 2.141 6.548 -12.303) 14.100 21.740 ( 8.668 -7.086 3.656) 11.778 21.740 ( 8.668 7.086 3.656) 11.778 21.943 ( 17.888 -9.990 -1.965) 20.582 21.943 ( 17.888 9.990 -1.965) 20.582 22.436 ( -8.186 -2.783 3.756) 9.427 22.436 ( -8.186 2.783 3.756) 9.427 22.722 ( -3.307 -4.087 -2.666) 5.895 22.722 ( -3.307 4.087 -2.666) 5.895 24.967 ( -1.838 -11.109 2.207) 11.474 24.967 ( -1.838 11.109 2.207) 11.474 25.045 ( -2.625 -3.737 1.127) 4.704 25.045 ( -2.625 3.737 1.127) 4.704 25.169 ( 1.197 -3.414 -0.987) 3.750 25.169 ( 1.197 3.414 -0.987) 3.750 25.431 ( -11.543 -12.527 -7.287) 18.528 25.431 ( -11.543 12.527 -7.287) 18.528 ======================= Grid point 55 (24/36) ======================= q-point: ( 0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 10.874 -3.524 1.343) 11.509 1.621 ( 10.874 3.524 1.343) 11.509 1.731 ( 5.179 -4.177 4.120) 7.825 1.731 ( 5.179 4.177 4.120) 7.825 1.882 ( -2.469 -3.490 -0.036) 4.275 1.882 ( -2.469 3.490 -0.036) 4.275 1.923 ( -1.990 -2.184 -1.074) 3.144 1.923 ( -1.990 2.184 -1.074) 3.144 2.053 ( -1.056 -2.527 -1.016) 2.921 2.053 ( -1.056 2.527 -1.016) 2.921 2.081 ( -4.073 -2.854 0.203) 4.978 2.081 ( -4.073 2.854 0.203) 4.978 2.206 ( 1.457 -1.142 0.444) 1.904 2.206 ( 1.457 1.142 0.444) 1.904 2.272 ( -5.301 -1.015 -0.094) 5.398 2.272 ( -5.301 1.015 -0.094) 5.398 2.586 ( -0.192 -2.513 -4.119) 4.829 2.586 ( -0.192 2.513 -4.119) 4.829 2.594 ( -1.093 -2.730 -3.671) 4.703 2.594 ( -1.093 2.730 -3.671) 4.703 2.703 ( 2.374 -7.820 1.800) 8.369 2.703 ( 2.374 7.820 1.800) 8.369 2.755 ( -3.062 -6.339 0.319) 7.047 2.755 ( -3.062 6.339 0.319) 7.047 2.930 ( 7.313 -3.705 -3.577) 8.944 2.930 ( 7.313 3.705 -3.577) 8.944 3.047 ( -3.116 -1.403 -2.762) 4.394 3.047 ( -3.116 1.403 -2.762) 4.394 3.156 ( -0.118 -1.232 -0.888) 1.523 3.156 ( -0.118 1.232 -0.888) 1.523 3.185 ( -1.731 -3.561 -3.979) 5.614 3.185 ( -1.731 3.561 -3.979) 5.614 3.550 ( 6.706 -5.089 2.287) 8.724 3.550 ( 6.706 5.089 2.287) 8.724 3.637 ( 2.643 -4.992 2.822) 6.314 3.637 ( 2.643 4.992 2.822) 6.314 3.770 ( 0.731 -1.716 -6.368) 6.636 3.770 ( 0.731 1.716 -6.368) 6.636 3.884 ( -5.050 -4.304 -3.315) 7.417 3.884 ( -5.050 4.304 -3.315) 7.417 4.279 ( 11.148 -2.752 6.318) 13.106 4.279 ( 11.148 2.752 6.318) 13.106 4.418 ( -2.229 -0.122 0.636) 2.321 4.418 ( -2.229 0.122 0.636) 2.321 4.615 ( 11.022 -0.673 -3.847) 11.693 4.615 ( 11.022 0.673 -3.847) 11.693 4.747 ( -2.104 -0.812 -3.980) 4.574 4.747 ( -2.104 0.812 -3.980) 4.574 5.013 ( 4.105 -0.603 7.729) 8.773 5.013 ( 4.105 0.603 7.729) 8.773 5.112 ( -5.308 -1.271 4.478) 7.060 5.112 ( -5.308 1.271 4.478) 7.060 5.441 ( 1.744 -2.017 -2.566) 3.700 5.441 ( 1.744 2.017 -2.566) 3.700 5.501 ( -4.720 -1.620 -1.843) 5.320 5.501 ( -4.720 1.620 -1.843) 5.320 5.694 ( 1.879 -0.578 4.098) 4.545 5.694 ( 1.879 0.578 4.098) 4.545 5.769 ( -5.278 -1.403 6.802) 8.723 5.769 ( -5.278 1.403 6.802) 8.723 6.047 ( 3.128 -1.112 -3.666) 4.946 6.047 ( 3.128 1.112 -3.666) 4.946 6.126 ( -4.704 -2.793 -2.767) 6.130 6.126 ( -4.704 2.793 -2.767) 6.130 6.704 ( 8.687 -2.965 -0.613) 9.200 6.704 ( 8.687 2.965 -0.613) 9.200 6.782 ( 1.554 -2.544 -1.797) 3.481 6.782 ( 1.554 2.544 -1.797) 3.481 6.971 ( 4.393 -2.905 5.233) 7.424 6.971 ( 4.393 2.905 5.233) 7.424 6.999 ( -0.226 -2.188 5.076) 5.532 6.999 ( -0.226 2.188 5.076) 5.532 7.162 ( -0.385 -2.203 1.203) 2.540 7.162 ( -0.385 2.203 1.203) 2.540 7.244 ( -7.423 -1.053 2.387) 7.868 7.244 ( -7.423 1.053 2.387) 7.868 7.627 ( 7.305 -3.090 -0.548) 7.951 7.627 ( 7.305 3.090 -0.548) 7.951 7.779 ( -7.242 -0.223 -1.364) 7.372 7.779 ( -7.242 0.223 -1.364) 7.372 8.300 ( 2.723 -4.430 -0.765) 5.256 8.300 ( 2.723 4.430 -0.765) 5.256 8.374 ( -3.827 -2.380 2.661) 5.234 8.374 ( -3.827 2.380 2.661) 5.234 8.566 ( 6.307 -4.382 -1.345) 7.797 8.566 ( 6.307 4.382 -1.345) 7.797 8.642 ( -1.911 -3.004 -5.069) 6.195 8.642 ( -1.911 3.004 -5.069) 6.195 9.007 ( 12.148 -4.055 3.121) 13.181 9.007 ( 12.148 4.055 3.121) 13.181 9.247 ( -6.128 -2.865 0.811) 6.813 9.247 ( -6.128 2.865 0.811) 6.813 9.260 ( 3.040 -0.887 -0.905) 3.294 9.260 ( 3.040 0.887 -0.905) 3.294 9.365 ( -5.512 -1.241 -0.349) 5.660 9.365 ( -5.512 1.241 -0.349) 5.660 9.737 ( 6.283 -2.213 -10.695) 12.600 9.737 ( 6.283 2.213 -10.695) 12.600 9.850 ( -4.144 -1.083 -7.392) 8.543 9.850 ( -4.144 1.083 -7.392) 8.543 10.048 ( 0.047 -1.869 0.478) 1.930 10.048 ( 0.047 1.869 0.478) 1.930 10.106 ( -5.534 -0.685 -2.803) 6.241 10.106 ( -5.534 0.685 -2.803) 6.241 10.579 ( 0.423 -0.599 -0.581) 0.935 10.579 ( 0.423 0.599 -0.581) 0.935 10.622 ( -3.557 -0.296 -3.695) 5.138 10.622 ( -3.557 0.296 -3.695) 5.138 10.939 ( 4.712 -0.319 16.331) 17.000 10.939 ( 4.712 0.319 16.331) 17.000 11.086 ( -9.658 -0.224 13.341) 16.471 11.086 ( -9.658 0.224 13.341) 16.471 11.556 ( 2.893 -0.090 4.039) 4.969 11.556 ( 2.893 0.090 4.039) 4.969 11.612 ( -2.449 -1.531 1.614) 3.309 11.612 ( -2.449 1.531 1.614) 3.309 11.842 ( 5.076 -2.268 -2.698) 6.180 11.842 ( 5.076 2.268 -2.698) 6.180 11.910 ( -1.565 -1.170 0.638) 2.056 11.910 ( -1.565 1.170 0.638) 2.056 12.268 ( -4.754 -2.259 -5.701) 7.759 12.268 ( -4.754 2.259 -5.701) 7.759 12.307 ( -8.069 -0.963 -4.316) 9.201 12.307 ( -8.069 0.963 -4.316) 9.201 13.694 ( 5.232 -0.261 -1.654) 5.494 13.694 ( 5.232 0.261 -1.654) 5.494 13.801 ( -5.070 -0.626 -3.785) 6.358 13.801 ( -5.070 0.626 -3.785) 6.358 14.690 ( 5.983 -4.263 3.432) 8.109 14.690 ( 5.983 4.263 3.432) 8.109 14.750 ( 0.085 -7.755 2.138) 8.045 14.750 ( 0.085 7.755 2.138) 8.045 16.080 ( 9.250 -0.305 2.271) 9.529 16.080 ( 9.250 0.305 2.271) 9.529 16.226 ( -5.936 -1.525 1.852) 6.402 16.226 ( -5.936 1.525 1.852) 6.402 16.276 ( 1.858 -0.376 -2.266) 2.954 16.276 ( 1.858 0.376 -2.266) 2.954 16.329 ( -3.561 -0.382 -0.173) 3.586 16.329 ( -3.561 0.382 -0.173) 3.586 17.216 ( 10.709 -2.094 3.263) 11.389 17.216 ( 10.709 2.094 3.263) 11.389 17.369 ( -5.236 -2.811 1.303) 6.084 17.369 ( -5.236 2.811 1.303) 6.084 17.588 ( 1.804 -0.765 -4.223) 4.656 17.588 ( 1.804 0.765 -4.223) 4.656 17.633 ( -3.128 -0.083 -2.295) 3.880 17.633 ( -3.128 0.083 -2.295) 3.880 18.121 ( 5.941 -5.161 -2.012) 8.123 18.121 ( 5.941 5.161 -2.012) 8.123 18.184 ( 0.505 -2.763 -2.200) 3.568 18.184 ( 0.505 2.763 -2.200) 3.568 18.375 ( -0.140 -1.535 2.524) 2.957 18.375 ( -0.140 1.535 2.524) 2.957 18.444 ( -5.040 -0.410 0.798) 5.119 18.444 ( -5.040 0.410 0.798) 5.119 20.133 ( 6.503 -3.564 2.006) 7.682 20.133 ( 6.503 3.564 2.006) 7.682 20.182 ( -0.329 -1.841 0.753) 2.016 20.182 ( -0.329 1.841 0.753) 2.016 20.742 ( 16.980 -7.221 0.832) 18.471 20.742 ( 16.980 7.221 0.832) 18.471 21.000 ( -8.152 -1.023 -4.893) 9.562 21.000 ( -8.152 1.023 -4.893) 9.562 21.944 ( 12.785 -5.702 4.092) 14.585 21.944 ( 12.785 5.702 4.092) 14.585 22.214 ( -12.518 -4.104 3.952) 13.753 22.214 ( -12.518 4.104 3.952) 13.753 22.326 ( 16.942 -11.008 -4.377) 20.672 22.326 ( 16.942 11.008 -4.377) 20.672 22.598 ( -9.877 -7.073 -4.227) 12.862 22.598 ( -9.877 7.073 -4.227) 12.862 24.951 ( 0.490 -7.636 1.286) 7.759 24.951 ( 0.490 7.636 1.286) 7.759 24.987 ( -2.891 -4.766 0.812) 5.633 24.987 ( -2.891 4.766 0.812) 5.633 25.197 ( 1.913 -6.023 -1.678) 6.538 25.197 ( 1.913 6.023 -1.678) 6.538 25.264 ( -5.567 -9.673 -3.351) 11.652 25.264 ( -5.567 9.673 -3.351) 11.652 ======================= Grid point 70 (25/36) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 0.000 0.000 23.906) 23.906 1.164 ( 0.000 0.000 23.331) 23.331 1.409 ( 0.000 0.000 -16.383) 16.383 1.538 ( 0.000 0.000 -13.211) 13.211 1.719 ( 0.000 0.000 24.753) 24.753 1.870 ( 0.000 0.000 0.508) 0.508 1.930 ( 0.000 0.000 -6.209) 6.209 1.939 ( 0.000 0.000 18.656) 18.656 1.953 ( 0.000 0.000 0.874) 0.874 2.005 ( 0.000 0.000 3.068) 3.068 2.120 ( 0.000 0.000 0.401) 0.401 2.216 ( 0.000 0.000 -5.914) 5.914 2.271 ( 0.000 0.000 0.807) 0.807 2.301 ( 0.000 0.000 -1.722) 1.722 2.312 ( 0.000 0.000 -3.429) 3.429 2.333 ( 0.000 0.000 -4.289) 4.289 2.468 ( 0.000 0.000 2.491) 2.491 2.477 ( 0.000 0.000 2.134) 2.134 2.499 ( 0.000 0.000 -0.486) 0.486 2.548 ( 0.000 0.000 -5.643) 5.643 2.682 ( 0.000 0.000 0.292) 0.292 2.735 ( 0.000 0.000 -4.106) 4.106 2.787 ( 0.000 0.000 0.063) 0.063 2.790 ( 0.000 0.000 0.552) 0.552 2.949 ( 0.000 0.000 1.265) 1.265 3.000 ( 0.000 0.000 -3.970) 3.970 3.046 ( 0.000 0.000 3.698) 3.698 3.073 ( 0.000 0.000 1.087) 1.087 3.101 ( 0.000 0.000 -1.822) 1.822 3.160 ( 0.000 0.000 -7.324) 7.324 3.199 ( 0.000 0.000 4.759) 4.759 3.254 ( 0.000 0.000 4.776) 4.776 3.263 ( 0.000 0.000 -0.998) 0.998 3.366 ( 0.000 0.000 -8.788) 8.788 3.514 ( 0.000 0.000 5.850) 5.850 3.598 ( 0.000 0.000 4.919) 4.919 3.665 ( 0.000 0.000 5.429) 5.429 3.705 ( 0.000 0.000 -11.816) 11.816 3.754 ( 0.000 0.000 -9.940) 9.940 3.832 ( 0.000 0.000 -9.501) 9.501 4.009 ( 0.000 0.000 5.746) 5.746 4.049 ( 0.000 0.000 1.824) 1.824 4.265 ( 0.000 0.000 3.764) 3.764 4.278 ( 0.000 0.000 2.797) 2.797 4.337 ( 0.000 0.000 1.225) 1.225 4.352 ( 0.000 0.000 0.039) 0.039 4.377 ( 0.000 0.000 -1.457) 1.457 4.454 ( 0.000 0.000 -8.022) 8.022 4.948 ( 0.000 0.000 -0.212) 0.212 5.006 ( 0.000 0.000 -6.986) 6.986 5.028 ( 0.000 0.000 3.812) 3.812 5.131 ( 0.000 0.000 -5.176) 5.176 5.396 ( 0.000 0.000 8.363) 8.363 5.576 ( 0.000 0.000 2.416) 2.416 5.577 ( 0.000 0.000 -7.452) 7.452 5.580 ( 0.000 0.000 1.653) 1.653 5.801 ( 0.000 0.000 1.360) 1.360 5.820 ( 0.000 0.000 0.921) 0.921 5.825 ( 0.000 0.000 1.454) 1.454 5.827 ( 0.000 0.000 0.779) 0.779 5.984 ( 0.000 0.000 14.740) 14.740 6.014 ( 0.000 0.000 -1.146) 1.146 6.015 ( 0.000 0.000 -1.806) 1.806 6.303 ( 0.000 0.000 -15.459) 15.459 6.497 ( 0.000 0.000 6.713) 6.713 6.523 ( 0.000 0.000 9.345) 9.345 6.628 ( 0.000 0.000 -1.653) 1.653 6.631 ( 0.000 0.000 -6.533) 6.533 6.749 ( 0.000 0.000 3.056) 3.056 6.776 ( 0.000 0.000 6.933) 6.933 6.832 ( 0.000 0.000 -4.979) 4.979 6.876 ( 0.000 0.000 -3.184) 3.184 6.946 ( 0.000 0.000 5.081) 5.081 7.148 ( 0.000 0.000 -13.860) 13.860 7.201 ( 0.000 0.000 5.237) 5.237 7.342 ( 0.000 0.000 -8.277) 8.277 7.723 ( 0.000 0.000 8.842) 8.842 7.725 ( 0.000 0.000 13.354) 13.354 7.864 ( 0.000 0.000 -4.581) 4.581 7.989 ( 0.000 0.000 -12.615) 12.615 8.032 ( 0.000 0.000 3.323) 3.323 8.050 ( 0.000 0.000 3.791) 3.791 8.076 ( 0.000 0.000 1.638) 1.638 8.091 ( 0.000 0.000 -1.928) 1.928 8.334 ( 0.000 0.000 -0.795) 0.795 8.369 ( 0.000 0.000 -4.549) 4.549 8.507 ( 0.000 0.000 -0.080) 0.080 8.571 ( 0.000 0.000 -5.433) 5.433 8.946 ( 0.000 0.000 1.382) 1.382 8.981 ( 0.000 0.000 -1.214) 1.214 9.054 ( 0.000 0.000 3.776) 3.776 9.130 ( 0.000 0.000 -1.601) 1.601 9.390 ( 0.000 0.000 5.678) 5.678 9.432 ( 0.000 0.000 0.450) 0.450 9.436 ( 0.000 0.000 1.516) 1.516 9.492 ( 0.000 0.000 -4.105) 4.105 9.713 ( 0.000 0.000 5.556) 5.556 9.717 ( 0.000 0.000 7.879) 7.879 9.792 ( 0.000 0.000 -3.136) 3.136 9.860 ( 0.000 0.000 -6.248) 6.248 10.301 ( 0.000 0.000 9.292) 9.292 10.415 ( 0.000 0.000 3.177) 3.177 10.446 ( 0.000 0.000 0.234) 0.234 10.506 ( 0.000 0.000 -10.834) 10.834 10.540 ( 0.000 0.000 7.028) 7.028 10.608 ( 0.000 0.000 1.905) 1.905 10.699 ( 0.000 0.000 -6.535) 6.535 10.716 ( 0.000 0.000 -8.425) 8.425 10.989 ( 0.000 0.000 9.429) 9.429 11.168 ( 0.000 0.000 1.822) 1.822 11.187 ( 0.000 0.000 -10.406) 10.406 11.214 ( 0.000 0.000 -2.641) 2.641 11.490 ( 0.000 0.000 2.544) 2.544 11.540 ( 0.000 0.000 -2.315) 2.315 11.615 ( 0.000 0.000 4.867) 4.867 11.678 ( 0.000 0.000 -1.156) 1.156 12.095 ( 0.000 0.000 20.388) 20.388 12.215 ( 0.000 0.000 8.520) 8.520 12.225 ( 0.000 0.000 6.837) 6.837 12.335 ( 0.000 0.000 -3.091) 3.091 12.616 ( 0.000 0.000 -6.498) 6.498 12.725 ( 0.000 0.000 -15.197) 15.197 12.854 ( 0.000 0.000 0.344) 0.344 12.920 ( 0.000 0.000 -6.728) 6.728 13.732 ( 0.000 0.000 4.037) 4.037 13.838 ( 0.000 0.000 -6.633) 6.633 13.849 ( 0.000 0.000 1.922) 1.922 13.891 ( 0.000 0.000 -2.171) 2.171 14.020 ( 0.000 0.000 4.135) 4.135 14.046 ( 0.000 0.000 7.152) 7.152 14.089 ( 0.000 0.000 -2.564) 2.564 14.175 ( 0.000 0.000 -5.118) 5.118 15.389 ( 0.000 0.000 14.419) 14.419 15.445 ( 0.000 0.000 17.272) 17.272 15.703 ( 0.000 0.000 -15.925) 15.925 15.793 ( 0.000 0.000 -16.536) 16.536 16.513 ( 0.000 0.000 2.293) 2.293 16.542 ( 0.000 0.000 -0.644) 0.644 16.617 ( 0.000 0.000 3.904) 3.904 16.669 ( 0.000 0.000 -0.599) 0.599 16.698 ( 0.000 0.000 1.902) 1.902 16.747 ( 0.000 0.000 -3.190) 3.190 16.816 ( 0.000 0.000 3.772) 3.772 16.934 ( 0.000 0.000 -6.994) 6.994 17.668 ( 0.000 0.000 6.765) 6.765 17.718 ( 0.000 0.000 2.591) 2.591 17.750 ( 0.000 0.000 -0.503) 0.503 17.768 ( 0.000 0.000 -2.438) 2.438 18.082 ( 0.000 0.000 -2.432) 2.432 18.117 ( 0.000 0.000 -4.853) 4.853 18.141 ( 0.000 0.000 1.574) 1.574 18.164 ( 0.000 0.000 -0.658) 0.658 18.468 ( 0.000 0.000 1.652) 1.652 18.499 ( 0.000 0.000 -1.360) 1.360 18.775 ( 0.000 0.000 6.365) 6.365 18.839 ( 0.000 0.000 1.546) 1.546 19.278 ( 0.000 0.000 19.991) 19.991 19.796 ( 0.000 0.000 -28.317) 28.317 19.894 ( 0.000 0.000 3.156) 3.156 19.965 ( 0.000 0.000 -3.690) 3.690 20.188 ( 0.000 0.000 0.371) 0.371 20.207 ( 0.000 0.000 -2.298) 2.298 21.194 ( 0.000 0.000 2.876) 2.876 21.265 ( 0.000 0.000 -3.943) 3.943 21.481 ( 0.000 0.000 4.611) 4.611 21.559 ( 0.000 0.000 -2.919) 2.919 21.631 ( 0.000 0.000 5.717) 5.717 21.695 ( 0.000 0.000 -1.262) 1.262 22.638 ( 0.000 0.000 5.447) 5.447 22.685 ( 0.000 0.000 2.259) 2.259 22.735 ( 0.000 0.000 -2.654) 2.654 22.743 ( 0.000 0.000 -4.639) 4.639 24.584 ( 0.000 0.000 1.809) 1.809 24.620 ( 0.000 0.000 -1.642) 1.642 25.072 ( 0.000 0.000 0.599) 0.599 25.085 ( 0.000 0.000 -0.653) 0.653 25.132 ( 0.000 0.000 0.650) 0.650 25.151 ( 0.000 0.000 -1.126) 1.126 25.563 ( 0.000 0.000 8.131) 8.131 25.743 ( 0.000 0.000 -9.229) 9.229 ======================= Grid point 71 (26/36) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 12.211 0.000 20.749) 24.075 1.208 ( 7.648 0.000 20.202) 21.601 1.528 ( 8.677 0.000 -19.053) 20.936 1.581 ( 3.797 0.000 -12.475) 13.040 1.838 ( 7.395 0.000 14.205) 16.015 1.904 ( 2.154 0.000 -1.655) 2.716 1.930 ( 1.919 0.000 -0.817) 2.086 1.953 ( 3.426 0.000 12.776) 13.228 1.989 ( 0.747 0.000 1.835) 1.981 2.030 ( 0.745 0.000 2.516) 2.624 2.108 ( -0.297 0.000 0.645) 0.710 2.200 ( -1.284 0.000 -4.428) 4.611 2.237 ( -3.196 0.000 0.544) 3.242 2.254 ( -2.200 0.000 -1.320) 2.565 2.392 ( 6.154 0.000 -0.052) 6.154 2.403 ( -3.290 0.000 0.118) 3.292 2.449 ( -2.674 0.000 -0.642) 2.749 2.466 ( 3.528 0.000 0.677) 3.593 2.497 ( 5.155 0.000 -0.257) 5.161 2.542 ( -0.659 0.000 -3.612) 3.672 2.705 ( 1.492 0.000 3.263) 3.588 2.760 ( 1.729 0.000 -3.351) 3.771 2.842 ( 3.832 0.000 -1.984) 4.315 2.842 ( 3.479 0.000 1.563) 3.813 2.894 ( -8.074 0.000 2.996) 8.612 2.924 ( -3.635 0.000 4.137) 5.507 3.043 ( -1.954 0.000 -3.393) 3.915 3.079 ( -7.392 0.000 -12.620) 14.626 3.096 ( -0.493 0.000 1.069) 1.177 3.103 ( 4.663 0.000 -3.084) 5.590 3.209 ( -1.761 0.000 3.371) 3.803 3.264 ( -1.825 0.000 -3.210) 3.692 3.311 ( 5.886 0.000 1.294) 6.026 3.318 ( 6.799 0.000 0.261) 6.804 3.519 ( -1.931 0.000 2.777) 3.382 3.538 ( 1.032 0.000 3.791) 3.929 3.609 ( -2.962 0.000 -1.939) 3.541 3.704 ( 0.811 0.000 -8.126) 8.167 3.832 ( 9.523 0.000 4.242) 10.425 3.918 ( 2.042 0.000 -2.886) 3.536 4.081 ( -6.618 0.000 3.324) 7.406 4.142 ( -1.824 0.000 -2.474) 3.073 4.169 ( 10.867 0.000 1.863) 11.026 4.213 ( -2.668 0.000 0.256) 2.680 4.303 ( 4.185 0.000 0.768) 4.255 4.332 ( 0.889 0.000 -1.938) 2.133 4.498 ( 2.311 0.000 -3.963) 4.588 4.532 ( 6.194 0.000 -4.935) 7.919 5.014 ( 2.712 0.000 -1.455) 3.078 5.041 ( 8.226 0.000 -1.039) 8.291 5.105 ( 5.472 0.000 3.295) 6.388 5.218 ( 6.275 0.000 -5.594) 8.406 5.355 ( -3.001 0.000 8.831) 9.328 5.528 ( -3.884 0.000 1.779) 4.272 5.553 ( -2.525 0.000 -6.442) 6.919 5.579 ( -1.414 0.000 -0.567) 1.523 5.753 ( -3.273 0.000 2.864) 4.349 5.777 ( -1.945 0.000 1.343) 2.363 5.838 ( 0.638 0.000 -0.306) 0.708 5.868 ( 1.392 0.000 -3.471) 3.740 5.996 ( 2.344 0.000 4.157) 4.772 5.997 ( -0.394 0.000 1.773) 1.816 6.143 ( 8.468 0.000 5.700) 10.208 6.338 ( 0.946 0.000 -10.012) 10.057 6.527 ( 4.790 0.000 6.403) 7.996 6.547 ( -0.851 0.000 5.201) 5.270 6.599 ( -3.359 0.000 -0.740) 3.439 6.617 ( 3.916 0.000 1.150) 4.082 6.690 ( -2.242 0.000 -1.528) 2.713 6.733 ( -3.162 0.000 -3.777) 4.926 6.907 ( 8.397 0.000 5.440) 10.006 6.977 ( 5.535 0.000 -1.291) 5.684 7.075 ( 10.538 0.000 5.702) 11.981 7.217 ( 1.095 0.000 -0.462) 1.188 7.344 ( 10.363 0.000 -11.664) 15.603 7.353 ( -1.609 0.000 -6.236) 6.440 7.694 ( -1.441 0.000 7.242) 7.384 7.697 ( -0.283 0.000 9.010) 9.015 7.879 ( -1.872 0.000 -0.318) 1.899 7.981 ( -1.966 0.000 -8.079) 8.315 8.011 ( -0.872 0.000 4.439) 4.524 8.114 ( 2.887 0.000 -4.458) 5.312 8.174 ( 12.147 0.000 1.899) 12.295 8.190 ( 13.178 0.000 -0.319) 13.182 8.344 ( 2.050 0.000 -1.543) 2.565 8.368 ( 0.137 0.000 -2.538) 2.542 8.503 ( 0.866 0.000 -0.078) 0.870 8.578 ( 0.580 0.000 -4.861) 4.896 8.962 ( -2.281 0.000 1.329) 2.640 8.987 ( 2.378 0.000 -1.270) 2.696 9.058 ( -0.098 0.000 -0.419) 0.430 9.064 ( -5.650 0.000 0.301) 5.658 9.359 ( -2.039 0.000 4.015) 4.504 9.431 ( -1.297 0.000 -0.447) 1.371 9.444 ( 0.572 0.000 0.267) 0.631 9.461 ( -1.355 0.000 -2.828) 3.135 9.686 ( -3.180 0.000 8.364) 8.948 9.701 ( -1.170 0.000 4.485) 4.635 9.794 ( -0.090 0.000 -3.915) 3.916 9.856 ( -0.700 0.000 -7.149) 7.183 10.238 ( -6.560 0.000 5.998) 8.889 10.333 ( -8.069 0.000 -2.781) 8.534 10.398 ( -3.909 0.000 4.100) 5.665 10.417 ( -5.955 0.000 4.516) 7.474 10.583 ( 1.436 0.000 -3.380) 3.673 10.593 ( -1.911 0.000 -0.055) 1.912 10.661 ( -3.000 0.000 -5.238) 6.036 10.668 ( -3.517 0.000 -6.381) 7.286 11.043 ( 4.667 0.000 9.365) 10.463 11.159 ( 0.308 0.000 2.120) 2.142 11.224 ( 2.049 0.000 -5.765) 6.118 11.237 ( 1.838 0.000 -2.778) 3.331 11.527 ( 3.449 0.000 1.454) 3.743 11.561 ( 1.619 0.000 -1.639) 2.304 11.624 ( 1.133 0.000 2.340) 2.600 11.646 ( -2.863 0.000 0.897) 3.000 12.037 ( -4.521 0.000 15.996) 16.622 12.139 ( -7.363 0.000 7.764) 10.700 12.157 ( -6.912 0.000 8.021) 10.588 12.254 ( -7.978 0.000 3.843) 8.855 12.509 ( -20.565 0.000 -3.006) 20.783 12.534 ( -8.434 0.000 -7.677) 11.405 12.639 ( -13.159 0.000 -10.003) 16.530 12.658 ( -15.091 0.000 -5.712) 16.136 13.687 ( -2.478 0.000 4.107) 4.797 13.738 ( -4.201 0.000 1.986) 4.647 13.805 ( -2.518 0.000 -1.914) 3.163 13.837 ( -2.574 0.000 -2.532) 3.610 14.179 ( 15.713 0.000 1.138) 15.754 14.202 ( 17.599 0.000 -1.508) 17.663 14.429 ( 18.507 0.000 9.296) 20.710 14.665 ( 22.188 0.000 -14.462) 26.485 15.549 ( 15.260 0.000 12.159) 19.511 15.622 ( 17.100 0.000 11.862) 20.812 15.846 ( 12.018 0.000 -13.417) 18.012 15.915 ( 10.500 0.000 -13.072) 16.767 16.471 ( -4.662 0.000 1.824) 5.006 16.488 ( -5.008 0.000 0.059) 5.008 16.544 ( -6.203 0.000 1.392) 6.358 16.545 ( -4.312 0.000 1.150) 4.463 16.819 ( 6.677 0.000 6.165) 9.088 16.856 ( 13.233 0.000 3.512) 13.691 16.986 ( 5.735 0.000 -6.712) 8.829 17.021 ( 15.113 0.000 -10.405) 18.348 17.612 ( -4.824 0.000 6.550) 8.135 17.686 ( -3.340 0.000 2.520) 4.184 17.717 ( -3.360 0.000 -2.395) 4.126 17.744 ( -3.144 0.000 -3.143) 4.446 17.976 ( -6.514 0.000 0.961) 6.584 18.049 ( -4.077 0.000 -5.374) 6.746 18.116 ( -1.543 0.000 1.096) 1.893 18.145 ( -2.399 0.000 -2.108) 3.194 18.476 ( 0.499 0.000 1.286) 1.380 18.492 ( -0.941 0.000 0.080) 0.944 18.751 ( -3.287 0.000 3.144) 4.549 18.770 ( -6.260 0.000 2.076) 6.595 19.507 ( 21.234 0.000 19.427) 28.780 19.919 ( 5.622 0.000 -2.805) 6.283 19.998 ( 15.370 0.000 -16.896) 22.841 20.038 ( 5.904 0.000 -4.758) 7.583 20.217 ( 2.750 0.000 0.176) 2.755 20.227 ( 1.481 0.000 -1.850) 2.370 21.213 ( 1.151 0.000 2.301) 2.573 21.263 ( -2.173 0.000 -1.813) 2.830 21.486 ( 1.711 0.000 4.706) 5.008 21.570 ( 3.683 0.000 -3.698) 5.219 21.770 ( 7.396 0.000 0.940) 7.455 21.798 ( 14.720 0.000 -2.842) 14.992 22.605 ( -3.427 0.000 5.467) 6.453 22.677 ( -1.099 0.000 2.831) 3.036 22.699 ( -3.192 0.000 -3.548) 4.773 22.752 ( 0.036 0.000 -4.293) 4.293 24.601 ( 1.766 0.000 1.622) 2.398 24.634 ( 1.466 0.000 -1.556) 2.137 25.046 ( -2.520 0.000 0.981) 2.705 25.064 ( -2.071 0.000 -0.863) 2.244 25.145 ( 1.120 0.000 0.963) 1.477 25.172 ( 1.894 0.000 -1.620) 2.492 25.513 ( -4.730 0.000 7.467) 8.839 25.678 ( -6.117 0.000 -8.446) 10.429 ======================= Grid point 72 (27/36) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 17.807 0.000 15.573) 23.656 1.428 ( 12.470 0.000 13.055) 18.054 1.676 ( 5.749 0.000 -9.803) 11.365 1.729 ( 11.174 0.000 -16.508) 19.934 1.840 ( -2.974 0.000 2.832) 4.107 1.909 ( -1.712 0.000 -0.512) 1.787 1.971 ( -0.541 0.000 2.073) 2.142 2.007 ( 1.090 0.000 -1.026) 1.497 2.042 ( 1.220 0.000 0.265) 1.248 2.056 ( 1.892 0.000 1.253) 2.270 2.124 ( 1.777 0.000 2.368) 2.960 2.164 ( -2.970 0.000 -0.628) 3.036 2.180 ( -0.905 0.000 1.666) 1.896 2.216 ( -0.345 0.000 -2.475) 2.499 2.304 ( -5.458 0.000 0.806) 5.517 2.362 ( -5.097 0.000 -4.631) 6.887 2.438 ( -1.149 0.000 4.132) 4.289 2.502 ( 1.468 0.000 0.858) 1.701 2.537 ( 1.068 0.000 0.743) 1.301 2.615 ( -0.954 0.000 -1.157) 1.499 2.720 ( -3.006 0.000 -2.160) 3.702 2.769 ( -1.676 0.000 -5.278) 5.538 2.799 ( -0.607 0.000 2.188) 2.270 2.829 ( -1.476 0.000 4.799) 5.020 2.883 ( -0.590 0.000 -3.185) 3.239 2.912 ( 4.085 0.000 -1.564) 4.374 2.991 ( 1.042 0.000 -3.073) 3.244 3.001 ( -0.860 0.000 -2.590) 2.729 3.069 ( -2.228 0.000 3.592) 4.227 3.138 ( -2.129 0.000 -2.746) 3.475 3.212 ( 2.258 0.000 0.586) 2.333 3.249 ( 1.338 0.000 -2.216) 2.589 3.447 ( -1.698 0.000 6.296) 6.521 3.448 ( 3.207 0.000 3.132) 4.483 3.517 ( 7.257 0.000 -0.819) 7.303 3.578 ( -0.850 0.000 -5.528) 5.593 3.769 ( -1.072 0.000 1.948) 2.223 3.784 ( 12.607 0.000 -0.172) 12.608 3.796 ( 4.435 0.000 -0.715) 4.492 3.827 ( -8.771 0.000 -3.707) 9.522 4.146 ( 2.306 0.000 5.384) 5.857 4.201 ( 13.621 0.000 1.433) 13.696 4.239 ( 11.276 0.000 -2.430) 11.535 4.284 ( -0.520 0.000 -6.763) 6.783 4.437 ( 10.989 0.000 2.591) 11.290 4.460 ( 8.047 0.000 2.487) 8.422 4.587 ( 6.512 0.000 -3.437) 7.363 4.651 ( 5.968 0.000 -7.657) 9.708 5.099 ( 4.619 0.000 5.671) 7.314 5.179 ( 3.578 0.000 7.121) 7.969 5.191 ( 2.924 0.000 -0.361) 2.947 5.304 ( 1.300 0.000 -3.630) 3.855 5.309 ( -0.680 0.000 4.604) 4.654 5.451 ( -3.545 0.000 0.160) 3.549 5.480 ( -4.475 0.000 -6.362) 7.778 5.512 ( -4.727 0.000 -1.650) 5.007 5.715 ( 0.069 0.000 4.368) 4.369 5.769 ( 0.996 0.000 3.199) 3.350 5.852 ( -1.358 0.000 -4.209) 4.422 5.866 ( 2.679 0.000 -1.905) 3.287 6.006 ( -0.710 0.000 1.109) 1.317 6.006 ( -2.357 0.000 0.815) 2.494 6.237 ( -0.548 0.000 0.970) 1.114 6.239 ( -10.533 0.000 1.248) 10.606 6.550 ( 3.154 0.000 2.711) 4.160 6.586 ( 4.723 0.000 -1.468) 4.946 6.669 ( 2.223 0.000 0.182) 2.230 6.682 ( 7.011 0.000 -0.009) 7.011 6.778 ( 8.327 0.000 1.971) 8.557 6.833 ( 13.959 0.000 -0.859) 13.986 7.054 ( 1.401 0.000 3.512) 3.781 7.065 ( 7.537 0.000 2.996) 8.111 7.173 ( -3.563 0.000 -0.746) 3.641 7.193 ( -1.818 0.000 -2.384) 2.998 7.296 ( -0.561 0.000 3.048) 3.100 7.420 ( -2.437 0.000 -5.694) 6.193 7.648 ( -3.361 0.000 7.942) 8.624 7.693 ( -1.048 0.000 5.373) 5.474 7.823 ( -3.434 0.000 -1.919) 3.934 7.897 ( -5.439 0.000 -5.368) 7.642 8.060 ( 4.807 0.000 3.276) 5.817 8.217 ( 7.125 0.000 -10.041) 12.312 8.366 ( 0.811 0.000 1.300) 1.533 8.385 ( 4.059 0.000 1.656) 4.384 8.477 ( 11.405 0.000 -1.355) 11.486 8.498 ( 13.588 0.000 0.913) 13.619 8.577 ( 4.926 0.000 -1.550) 5.164 8.582 ( -1.203 0.000 1.598) 2.001 8.917 ( 1.310 0.000 0.801) 1.536 8.977 ( -1.309 0.000 -5.010) 5.178 9.002 ( 1.301 0.000 2.047) 2.426 9.067 ( 2.248 0.000 -4.909) 5.399 9.325 ( -1.877 0.000 1.307) 2.287 9.367 ( -3.610 0.000 -1.776) 4.023 9.444 ( -0.661 0.000 0.880) 1.100 9.472 ( 0.254 0.000 -2.104) 2.119 9.599 ( -5.131 0.000 7.845) 9.374 9.670 ( -2.140 0.000 2.039) 2.956 9.772 ( -2.459 0.000 -5.405) 5.938 9.811 ( -4.520 0.000 -9.849) 10.837 10.093 ( -6.706 0.000 3.751) 7.684 10.165 ( -7.516 0.000 -3.205) 8.171 10.265 ( -9.203 0.000 2.002) 9.419 10.265 ( -9.884 0.000 2.567) 10.212 10.558 ( -0.760 0.000 -0.338) 0.832 10.580 ( -1.090 0.000 -2.437) 2.670 10.618 ( -1.697 0.000 -1.423) 2.214 10.621 ( -1.150 0.000 -1.998) 2.305 11.136 ( 4.232 0.000 9.442) 10.347 11.178 ( 1.507 0.000 6.294) 6.472 11.257 ( 1.368 0.000 -1.570) 2.082 11.268 ( 1.124 0.000 -1.636) 1.985 11.580 ( 0.210 0.000 0.016) 0.210 11.587 ( -0.493 0.000 1.027) 1.139 11.619 ( 3.764 0.000 2.302) 4.412 11.672 ( 3.461 0.000 -1.124) 3.639 11.947 ( -11.082 0.000 10.176) 15.045 11.949 ( -6.290 0.000 11.161) 12.812 11.974 ( -8.934 0.000 5.790) 10.646 12.081 ( -7.596 0.000 10.711) 13.131 12.200 ( -10.574 0.000 -11.128) 15.350 12.321 ( -10.291 0.000 -11.394) 15.354 12.403 ( -11.380 0.000 -7.094) 13.410 12.404 ( -11.063 0.000 -5.866) 12.522 13.660 ( -0.268 0.000 3.525) 3.535 13.680 ( -1.632 0.000 3.691) 4.035 13.760 ( -2.275 0.000 -4.639) 5.167 13.787 ( -2.886 0.000 -5.173) 5.924 14.490 ( 13.775 0.000 3.608) 14.240 14.542 ( 15.349 0.000 -1.525) 15.425 14.686 ( 7.841 0.000 10.174) 12.845 14.892 ( 4.063 0.000 -9.761) 10.572 15.884 ( 16.098 0.000 8.462) 18.186 15.956 ( 13.141 0.000 6.173) 14.519 16.070 ( 9.612 0.000 -8.565) 12.875 16.105 ( 7.306 0.000 -7.325) 10.346 16.352 ( -6.268 0.000 1.998) 6.579 16.379 ( -5.592 0.000 -0.653) 5.630 16.444 ( -4.984 0.000 1.258) 5.140 16.446 ( -5.954 0.000 0.969) 6.032 17.033 ( 14.119 0.000 7.395) 15.939 17.122 ( 11.131 0.000 3.780) 11.755 17.220 ( 17.534 0.000 -7.682) 19.143 17.289 ( 9.791 0.000 -9.055) 13.336 17.523 ( -2.950 0.000 3.312) 4.435 17.585 ( -6.224 0.000 1.081) 6.317 17.639 ( -3.932 0.000 -4.167) 5.730 17.652 ( -5.090 0.000 -3.204) 6.015 17.915 ( 1.132 0.000 4.396) 4.540 18.012 ( 1.097 0.000 -4.809) 4.932 18.128 ( 1.177 0.000 -0.655) 1.347 18.146 ( 4.536 0.000 -2.553) 5.205 18.446 ( -3.967 0.000 1.699) 4.316 18.459 ( -2.591 0.000 0.205) 2.599 18.625 ( -8.001 0.000 2.482) 8.377 18.642 ( -7.329 0.000 0.687) 7.361 19.993 ( 21.893 0.000 10.116) 24.117 20.023 ( 5.483 0.000 3.485) 6.497 20.181 ( 12.127 0.000 1.570) 12.228 20.223 ( 0.106 0.000 2.191) 2.194 20.271 ( 2.555 0.000 -2.677) 3.700 20.409 ( 21.179 0.000 -16.728) 26.989 21.169 ( -6.671 0.000 0.647) 6.702 21.185 ( -4.907 0.000 -1.199) 5.051 21.607 ( 11.036 0.000 6.100) 12.610 21.713 ( 10.879 0.000 -4.100) 11.626 21.971 ( 12.620 0.000 5.389) 13.723 22.126 ( 16.359 0.000 -10.584) 19.484 22.490 ( -8.764 0.000 6.006) 10.624 22.600 ( -7.067 0.000 -4.889) 8.594 22.626 ( -4.542 0.000 4.390) 6.317 22.733 ( -2.249 0.000 -5.762) 6.185 24.657 ( 3.931 0.000 1.033) 4.064 24.682 ( 3.519 0.000 -1.341) 3.766 24.976 ( -4.574 0.000 1.199) 4.729 25.001 ( -4.438 0.000 -1.258) 4.613 25.171 ( 1.493 0.000 1.763) 2.310 25.217 ( 2.586 0.000 -2.615) 3.678 25.399 ( -6.329 0.000 6.048) 8.754 25.530 ( -8.215 0.000 -6.631) 10.557 ======================= Grid point 73 (28/36) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 9.128 0.000 6.463) 11.184 1.708 ( 12.042 0.000 8.352) 14.655 1.765 ( -3.613 0.000 2.813) 4.579 1.786 ( 4.584 0.000 -5.427) 7.104 1.860 ( -1.523 0.000 -1.116) 1.888 1.907 ( 5.046 0.000 -5.978) 7.823 1.954 ( -3.272 0.000 3.435) 4.744 2.004 ( -1.929 0.000 0.190) 1.938 2.018 ( -0.244 0.000 -1.503) 1.523 2.060 ( -1.645 0.000 -4.673) 4.955 2.071 ( -6.603 0.000 -1.219) 6.715 2.076 ( -2.647 0.000 -3.682) 4.535 2.228 ( 4.239 0.000 1.986) 4.681 2.254 ( 3.314 0.000 -0.184) 3.319 2.282 ( 1.559 0.000 -0.742) 1.726 2.289 ( -2.253 0.000 -2.066) 3.057 2.455 ( 2.912 0.000 4.564) 5.413 2.515 ( 0.853 0.000 -1.021) 1.330 2.535 ( -1.033 0.000 0.701) 1.249 2.540 ( -5.065 0.000 3.322) 6.057 2.647 ( -1.309 0.000 -0.223) 1.328 2.712 ( -7.115 0.000 0.414) 7.127 2.744 ( 0.079 0.000 -6.862) 6.863 2.774 ( -2.141 0.000 -3.387) 4.007 2.952 ( 3.618 0.000 1.649) 3.976 2.999 ( 2.191 0.000 -1.333) 2.565 3.002 ( -1.729 0.000 -0.137) 1.734 3.024 ( 1.169 0.000 -2.910) 3.136 3.102 ( 6.449 0.000 0.991) 6.525 3.120 ( 4.206 0.000 -1.055) 4.336 3.235 ( -4.811 0.000 -0.173) 4.814 3.238 ( -2.262 0.000 0.011) 2.262 3.378 ( -1.081 0.000 3.206) 3.383 3.473 ( -0.502 0.000 -2.165) 2.223 3.475 ( -2.912 0.000 -5.831) 6.518 3.477 ( -8.850 0.000 -4.899) 10.116 3.770 ( 3.819 0.000 3.131) 4.939 3.817 ( 5.122 0.000 -0.219) 5.127 3.869 ( -3.789 0.000 -0.810) 3.874 3.891 ( -1.474 0.000 -1.838) 2.356 4.313 ( 12.811 0.000 5.259) 13.849 4.400 ( 10.553 0.000 -2.609) 10.871 4.445 ( 2.855 0.000 2.384) 3.720 4.458 ( 7.833 0.000 1.909) 8.062 4.607 ( 6.474 0.000 -0.694) 6.511 4.607 ( 7.587 0.000 -0.520) 7.604 4.683 ( 1.389 0.000 -2.211) 2.611 4.708 ( -1.599 0.000 -4.708) 4.972 5.174 ( 3.504 0.000 6.478) 7.365 5.185 ( -0.841 0.000 6.914) 6.965 5.195 ( -1.369 0.000 4.441) 4.647 5.257 ( -4.700 0.000 2.176) 5.179 5.347 ( 3.098 0.000 -1.716) 3.541 5.401 ( -1.215 0.000 -5.211) 5.351 5.413 ( -2.104 0.000 -5.382) 5.778 5.419 ( -4.389 0.000 -1.859) 4.767 5.765 ( 4.724 0.000 5.110) 6.959 5.816 ( 3.859 0.000 8.674) 9.493 5.855 ( 1.113 0.000 0.767) 1.352 5.873 ( -4.976 0.000 4.928) 7.003 5.957 ( -2.778 0.000 -2.300) 3.607 5.997 ( 5.377 0.000 -7.080) 8.890 6.021 ( -9.547 0.000 2.116) 9.778 6.140 ( -7.634 0.000 -5.541) 9.433 6.647 ( 5.228 0.000 2.100) 5.634 6.707 ( 5.958 0.000 -3.522) 6.921 6.708 ( -0.110 0.000 1.792) 1.795 6.770 ( 1.013 0.000 -3.465) 3.610 6.972 ( 7.091 0.000 7.497) 10.319 7.046 ( -0.449 0.000 5.180) 5.199 7.078 ( 7.864 0.000 -1.564) 8.018 7.132 ( -0.371 0.000 -2.596) 2.622 7.146 ( 2.779 0.000 2.946) 4.049 7.187 ( 3.593 0.000 -1.650) 3.954 7.275 ( -3.217 0.000 3.169) 4.515 7.301 ( -8.690 0.000 1.967) 8.910 7.636 ( 4.388 0.000 4.617) 6.370 7.685 ( 1.304 0.000 0.319) 1.343 7.746 ( -4.138 0.000 -2.222) 4.697 7.776 ( -7.276 0.000 -3.161) 7.933 8.186 ( 8.124 0.000 5.918) 10.051 8.343 ( 4.912 0.000 -7.401) 8.883 8.359 ( -7.411 0.000 3.961) 8.403 8.393 ( 0.741 0.000 -0.287) 0.795 8.532 ( -0.529 0.000 3.058) 3.104 8.560 ( -1.412 0.000 0.661) 1.560 8.588 ( 0.875 0.000 -5.102) 5.176 8.650 ( -1.721 0.000 -5.317) 5.589 9.030 ( 9.830 0.000 6.004) 11.518 9.123 ( 15.007 0.000 0.525) 15.016 9.170 ( 7.180 0.000 -5.442) 9.010 9.177 ( 8.702 0.000 -2.443) 9.039 9.257 ( -2.744 0.000 2.241) 3.543 9.300 ( -3.527 0.000 -1.578) 3.864 9.390 ( -9.069 0.000 1.372) 9.172 9.401 ( -5.238 0.000 0.124) 5.240 9.561 ( 2.920 0.000 -1.163) 3.143 9.623 ( -1.208 0.000 -3.256) 3.472 9.683 ( -6.957 0.000 -6.306) 9.389 9.685 ( -6.832 0.000 -10.581) 12.595 10.009 ( -1.280 0.000 3.545) 3.769 10.069 ( -7.775 0.000 2.819) 8.270 10.072 ( -1.661 0.000 -2.535) 3.031 10.108 ( -5.440 0.000 -1.146) 5.559 10.564 ( 1.108 0.000 0.242) 1.134 10.573 ( 0.523 0.000 -0.460) 0.696 10.590 ( -1.365 0.000 0.041) 1.366 10.595 ( -1.474 0.000 -0.405) 1.528 11.208 ( 3.514 0.000 8.880) 9.550 11.220 ( 2.813 0.000 7.661) 8.161 11.266 ( -1.017 0.000 3.249) 3.404 11.268 ( -1.745 0.000 3.342) 3.770 11.589 ( 1.884 0.000 2.007) 2.752 11.601 ( 2.849 0.000 2.738) 3.951 11.676 ( -5.508 0.000 5.913) 8.081 11.682 ( -1.709 0.000 2.201) 2.787 11.793 ( -1.080 0.000 3.270) 3.444 11.832 ( 2.774 0.000 -2.428) 3.687 11.875 ( -5.220 0.000 0.385) 5.234 11.944 ( -7.036 0.000 -0.675) 7.069 12.106 ( 1.199 0.000 -2.429) 2.709 12.193 ( -2.350 0.000 -7.277) 7.647 12.207 ( -8.179 0.000 -3.182) 8.776 12.230 ( -5.837 0.000 -4.999) 7.685 13.675 ( 1.803 0.000 0.131) 1.808 13.676 ( 1.052 0.000 0.694) 1.260 13.713 ( -2.436 0.000 -3.093) 3.937 13.725 ( -3.122 0.000 -3.817) 4.931 14.691 ( 6.770 0.000 5.853) 8.949 14.758 ( -0.070 0.000 7.967) 7.967 14.780 ( 8.961 0.000 -2.839) 9.400 14.897 ( -2.991 0.000 -5.427) 6.197 16.129 ( 5.991 0.000 3.361) 6.869 16.137 ( 10.055 0.000 4.396) 10.974 16.204 ( 3.504 0.000 -3.684) 5.084 16.208 ( 2.271 0.000 -1.145) 2.544 16.252 ( -1.216 0.000 -0.050) 1.217 16.282 ( -4.070 0.000 -1.764) 4.435 16.314 ( -7.352 0.000 1.902) 7.594 16.340 ( -5.464 0.000 -0.470) 5.485 17.271 ( 8.122 0.000 5.641) 9.889 17.317 ( 8.223 0.000 1.622) 8.382 17.358 ( -1.450 0.000 2.817) 3.168 17.435 ( -1.740 0.000 -4.202) 4.548 17.508 ( 3.136 0.000 -0.923) 3.269 17.527 ( 2.438 0.000 -2.957) 3.833 17.576 ( -2.725 0.000 -3.259) 4.248 17.578 ( -2.648 0.000 -2.685) 3.772 18.026 ( 8.974 0.000 3.607) 9.672 18.103 ( 7.575 0.000 -3.707) 8.433 18.153 ( -1.326 0.000 2.297) 2.653 18.228 ( -0.746 0.000 -4.908) 4.965 18.372 ( 0.449 0.000 2.118) 2.165 18.402 ( -0.933 0.000 -0.685) 1.157 18.474 ( -6.832 0.000 1.122) 6.923 18.487 ( -7.925 0.000 -0.050) 7.925 20.124 ( 4.535 0.000 3.183) 5.541 20.184 ( 4.676 0.000 -2.601) 5.351 20.195 ( -2.610 0.000 2.993) 3.971 20.252 ( -2.150 0.000 -2.351) 3.186 20.652 ( 24.101 0.000 5.278) 24.672 20.782 ( 15.367 0.000 -7.106) 16.930 21.014 ( -12.949 0.000 -0.804) 12.974 21.015 ( -9.265 0.000 -0.863) 9.305 21.893 ( 17.200 0.000 5.428) 18.036 21.996 ( 17.084 0.000 -4.525) 17.673 22.194 ( -2.253 0.000 4.745) 5.252 22.289 ( -7.585 0.000 -4.552) 8.846 22.293 ( 0.125 0.000 9.471) 9.472 22.488 ( -9.573 0.000 7.000) 11.860 22.508 ( 4.942 0.000 -11.575) 12.585 22.652 ( -6.237 0.000 -8.650) 10.664 24.752 ( 5.645 0.000 0.674) 5.685 24.773 ( 5.653 0.000 -1.274) 5.795 24.870 ( -6.065 0.000 0.903) 6.132 24.893 ( -6.264 0.000 -1.382) 6.414 25.210 ( 2.749 0.000 2.986) 4.058 25.279 ( 3.980 0.000 -3.632) 5.388 25.285 ( -4.957 0.000 4.462) 6.670 25.381 ( -6.569 0.000 -4.838) 8.158 ======================= Grid point 77 (29/36) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 0.000 9.923 19.941) 22.274 1.265 ( 0.000 9.432 20.334) 22.415 1.460 ( 0.000 4.948 -19.051) 19.683 1.590 ( 0.000 4.560 -10.148) 11.126 1.673 ( 0.000 -14.563 6.747) 16.050 1.758 ( 0.000 -5.795 12.612) 13.880 1.799 ( 0.000 -8.236 -5.322) 9.806 1.842 ( 0.000 -3.782 9.604) 10.321 1.994 ( 0.000 2.228 7.509) 7.832 2.055 ( 0.000 3.931 7.734) 8.675 2.180 ( 0.000 4.340 -0.065) 4.341 2.231 ( 0.000 1.153 -4.411) 4.560 2.303 ( 0.000 2.595 0.219) 2.604 2.334 ( 0.000 2.483 -2.797) 3.740 2.339 ( 0.000 2.010 -1.582) 2.558 2.412 ( 0.000 3.792 -5.838) 6.961 2.419 ( 0.000 -0.359 2.433) 2.459 2.477 ( 0.000 -2.740 -2.780) 3.903 2.521 ( 0.000 4.561 1.884) 4.935 2.564 ( 0.000 1.615 -2.223) 2.748 2.730 ( 0.000 4.656 2.919) 5.495 2.739 ( 0.000 -4.812 1.185) 4.956 2.762 ( 0.000 -2.397 -1.280) 2.718 2.785 ( 0.000 1.931 -1.896) 2.707 2.963 ( 0.000 1.073 0.655) 1.257 2.970 ( 0.000 -5.287 5.204) 7.419 2.986 ( 0.000 -5.107 3.230) 6.042 2.995 ( 0.000 -0.716 -1.875) 2.007 3.052 ( 0.000 -3.985 -1.947) 4.436 3.161 ( 0.000 1.026 -10.716) 10.765 3.179 ( 0.000 -8.978 7.327) 11.588 3.199 ( 0.000 -0.073 3.096) 3.097 3.272 ( 0.000 -0.111 5.638) 5.639 3.368 ( 0.000 -8.837 4.527) 9.929 3.420 ( 0.000 2.947 -9.323) 9.777 3.555 ( 0.000 -5.512 -3.996) 6.808 3.620 ( 0.000 2.128 1.376) 2.534 3.732 ( 0.000 -3.016 -11.023) 11.428 3.753 ( 0.000 0.029 -10.420) 10.420 3.766 ( 0.000 -1.428 -8.762) 8.878 4.132 ( 0.000 8.053 5.167) 9.568 4.158 ( 0.000 7.676 1.622) 7.845 4.300 ( 0.000 1.673 3.807) 4.158 4.311 ( 0.000 2.194 4.253) 4.785 4.318 ( 0.000 0.083 0.795) 0.799 4.371 ( 0.000 1.456 1.313) 1.961 4.403 ( 0.000 1.671 -3.596) 3.965 4.478 ( 0.000 1.018 -6.148) 6.232 4.953 ( 0.000 0.706 1.014) 1.235 5.010 ( 0.000 -1.389 2.183) 2.587 5.023 ( 0.000 1.222 -6.967) 7.073 5.093 ( 0.000 -3.162 -5.033) 5.944 5.423 ( 0.000 2.511 7.940) 8.327 5.538 ( 0.000 -2.293 5.140) 5.628 5.588 ( 0.000 1.018 -6.196) 6.279 5.605 ( 0.000 0.884 -0.917) 1.274 5.816 ( 0.000 0.971 1.815) 2.058 5.823 ( 0.000 -0.059 1.940) 1.941 5.833 ( 0.000 0.497 0.792) 0.935 5.837 ( 0.000 1.359 0.457) 1.434 5.970 ( 0.000 -0.999 11.194) 11.239 5.986 ( 0.000 -1.956 -0.023) 1.956 6.013 ( 0.000 0.464 -2.799) 2.837 6.214 ( 0.000 -6.968 -11.668) 13.590 6.514 ( 0.000 1.653 6.989) 7.182 6.564 ( 0.000 1.745 8.280) 8.462 6.638 ( 0.000 1.055 0.382) 1.122 6.643 ( 0.000 0.883 -5.892) 5.958 6.737 ( 0.000 -1.327 1.420) 1.944 6.758 ( 0.000 -1.371 7.249) 7.377 6.819 ( 0.000 0.816 -5.251) 5.314 6.878 ( 0.000 -0.313 -4.459) 4.470 7.020 ( 0.000 5.347 3.425) 6.349 7.177 ( 0.000 2.695 -11.927) 12.227 7.182 ( 0.000 -1.978 4.429) 4.851 7.313 ( 0.000 -2.670 -8.519) 8.928 7.719 ( 0.000 -0.175 10.622) 10.623 7.722 ( 0.000 -0.201 13.373) 13.375 7.885 ( 0.000 1.760 -4.754) 5.069 7.971 ( 0.000 -2.001 -8.941) 9.162 8.048 ( 0.000 1.523 2.414) 2.854 8.070 ( 0.000 2.524 0.491) 2.571 8.092 ( 0.000 0.645 0.522) 0.830 8.103 ( 0.000 0.978 -2.331) 2.528 8.328 ( 0.000 0.259 1.225) 1.252 8.403 ( 0.000 2.913 -5.553) 6.270 8.466 ( 0.000 -3.906 1.050) 4.045 8.546 ( 0.000 -2.557 -5.741) 6.284 8.960 ( 0.000 1.335 1.563) 2.056 8.995 ( 0.000 1.397 -0.959) 1.694 9.036 ( 0.000 -1.668 3.171) 3.583 9.096 ( 0.000 -2.926 -0.812) 3.037 9.391 ( 0.000 0.224 4.875) 4.880 9.424 ( 0.000 -1.024 1.669) 1.958 9.434 ( 0.000 0.222 -0.219) 0.312 9.476 ( 0.000 -1.360 -3.408) 3.669 9.710 ( 0.000 -0.474 7.303) 7.318 9.711 ( 0.000 -0.249 5.712) 5.717 9.794 ( 0.000 0.204 -3.352) 3.358 9.835 ( 0.000 -1.927 -5.311) 5.650 10.305 ( 0.000 0.549 9.067) 9.084 10.373 ( 0.000 -2.674 5.815) 6.401 10.471 ( 0.000 1.250 -3.311) 3.540 10.502 ( 0.000 -0.392 -10.080) 10.088 10.551 ( 0.000 0.978 6.169) 6.246 10.597 ( 0.000 -1.004 2.567) 2.756 10.700 ( 0.000 0.108 -6.893) 6.894 10.712 ( 0.000 -0.348 -8.344) 8.352 11.001 ( 0.000 1.245 10.079) 10.156 11.108 ( 0.000 -3.909 6.827) 7.867 11.197 ( 0.000 0.963 -9.894) 9.941 11.233 ( 0.000 0.252 -6.265) 6.270 11.510 ( 0.000 1.844 3.207) 3.699 11.573 ( 0.000 2.945 -2.858) 4.104 11.599 ( 0.000 -1.617 5.023) 5.276 11.673 ( 0.000 -0.737 -2.116) 2.241 12.089 ( 0.000 -0.017 19.840) 19.840 12.167 ( 0.000 -3.801 12.308) 12.881 12.284 ( 0.000 6.255 7.372) 9.668 12.398 ( 0.000 4.204 -8.489) 9.473 12.583 ( 0.000 -2.616 -4.434) 5.148 12.720 ( 0.000 -10.682 9.091) 14.027 12.768 ( 0.000 3.551 -14.303) 14.738 12.910 ( 0.000 -1.995 -8.804) 9.027 13.737 ( 0.000 0.544 4.176) 4.211 13.808 ( 0.000 -3.204 3.962) 5.095 13.844 ( 0.000 0.610 -6.452) 6.481 13.876 ( 0.000 -0.736 -2.143) 2.266 14.030 ( 0.000 0.173 2.737) 2.743 14.040 ( 0.000 -0.506 6.712) 6.731 14.106 ( 0.000 1.604 -3.676) 4.011 14.165 ( 0.000 -0.931 -5.138) 5.221 15.393 ( 0.000 0.391 14.869) 14.874 15.430 ( 0.000 -1.267 17.112) 17.159 15.716 ( 0.000 1.270 -16.445) 16.494 15.781 ( 0.000 -1.195 -17.064) 17.105 16.512 ( 0.000 0.118 2.605) 2.607 16.545 ( 0.000 0.388 -0.706) 0.805 16.586 ( 0.000 -2.745 2.822) 3.937 16.617 ( 0.000 -3.917 0.043) 3.917 16.709 ( 0.000 1.207 3.115) 3.341 16.783 ( 0.000 3.240 -4.172) 5.282 16.786 ( 0.000 -2.029 6.020) 6.353 16.925 ( 0.000 -1.793 -7.492) 7.703 17.676 ( 0.000 0.755 6.294) 6.339 17.711 ( 0.000 -0.629 3.304) 3.364 17.754 ( 0.000 0.391 -0.702) 0.804 17.767 ( 0.000 -0.147 -1.932) 1.938 18.080 ( 0.000 -0.050 -1.971) 1.971 18.114 ( 0.000 -1.976 0.907) 2.174 18.117 ( 0.000 0.059 -4.626) 4.627 18.143 ( 0.000 -1.441 -1.853) 2.347 18.515 ( 0.000 4.137 2.959) 5.086 18.565 ( 0.000 5.721 -1.932) 6.039 18.715 ( 0.000 -4.717 6.642) 8.146 18.811 ( 0.000 -3.812 -2.270) 4.436 19.320 ( 0.000 5.048 25.405) 25.902 19.749 ( 0.000 -11.876 16.254) 20.130 19.883 ( 0.000 6.794 -28.314) 29.118 19.997 ( 0.000 0.853 -9.548) 9.586 20.236 ( 0.000 6.078 -0.159) 6.080 20.250 ( 0.000 4.213 -2.035) 4.678 20.742 ( 0.000 -25.937 9.891) 27.759 20.938 ( 0.000 -23.482 -9.782) 25.438 21.610 ( 0.000 3.855 2.580) 4.639 21.637 ( 0.000 0.495 5.265) 5.288 21.654 ( 0.000 3.746 -1.654) 4.094 21.694 ( 0.000 -0.089 -1.064) 1.068 22.639 ( 0.000 0.129 5.006) 5.008 22.664 ( 0.000 -1.371 2.838) 3.152 22.714 ( 0.000 -0.736 -1.726) 1.877 22.735 ( 0.000 -0.776 -4.168) 4.240 24.799 ( 0.000 17.912 6.156) 18.940 24.961 ( 0.000 19.458 -8.686) 21.309 25.093 ( 0.000 1.622 0.045) 1.623 25.119 ( 0.000 -1.349 0.792) 1.564 25.128 ( 0.000 8.757 -5.204) 10.186 25.139 ( 0.000 -1.136 -1.160) 1.623 25.469 ( 0.000 -9.186 9.218) 13.014 25.683 ( 0.000 -6.259 -11.585) 13.168 ======================= Grid point 78 (30/36) ======================= q-point: ( 0.14 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 10.995 8.856 17.132) 22.199 1.307 ( 6.364 9.152 17.187) 20.485 1.556 ( 7.477 3.390 -17.068) 18.940 1.627 ( 3.270 4.231 -9.136) 10.586 1.724 ( 5.195 -13.941 5.478) 15.855 1.778 ( 1.428 -8.840 3.148) 9.492 1.835 ( 2.540 -6.868 0.299) 7.329 1.888 ( 3.258 -4.835 0.895) 5.899 2.061 ( 4.993 5.779 9.756) 12.390 2.081 ( 1.678 3.454 5.837) 6.987 2.168 ( -0.797 4.201 0.215) 4.282 2.221 ( -0.912 1.476 -2.696) 3.206 2.261 ( -4.245 2.109 0.143) 4.742 2.296 ( -2.220 2.543 -3.041) 4.543 2.343 ( -1.327 -1.568 -0.042) 2.055 2.379 ( -3.464 -3.055 -2.530) 5.266 2.463 ( 3.099 0.773 1.435) 3.501 2.499 ( 3.278 4.160 0.625) 5.333 2.557 ( 4.524 5.238 -1.688) 7.124 2.588 ( -0.103 3.648 -3.016) 4.734 2.709 ( -1.381 -2.606 1.920) 3.519 2.739 ( -1.261 -0.116 -0.806) 1.501 2.783 ( 2.428 -4.849 1.136) 5.541 2.829 ( -1.198 -2.908 0.791) 3.243 2.892 ( -2.366 -0.051 3.832) 4.504 2.938 ( -2.303 1.708 3.654) 4.645 2.997 ( 0.896 -3.647 -0.915) 3.865 3.054 ( 3.985 -2.043 -0.143) 4.481 3.088 ( -0.106 -1.686 -4.218) 4.543 3.127 ( -0.466 3.345 -11.329) 11.822 3.197 ( -1.327 -1.663 4.455) 4.937 3.265 ( 7.025 -4.017 4.705) 9.360 3.276 ( 2.650 -0.311 -1.842) 3.242 3.328 ( -1.003 1.262 -2.701) 3.146 3.389 ( 1.888 -6.800 0.680) 7.089 3.455 ( -5.705 -6.662 -4.149) 9.703 3.638 ( 4.742 3.158 3.535) 6.705 3.730 ( 3.203 -0.269 0.197) 3.221 3.829 ( 6.684 0.129 -6.011) 8.990 3.897 ( 6.322 -2.524 -7.538) 10.157 4.116 ( -10.593 3.533 4.609) 12.080 4.184 ( -0.805 3.284 -0.506) 3.419 4.221 ( 4.979 3.459 1.814) 6.329 4.239 ( -5.722 1.806 1.606) 6.212 4.330 ( 3.369 1.803 0.370) 3.839 4.343 ( 2.786 1.411 0.443) 3.154 4.494 ( 2.061 -0.298 -5.114) 5.522 4.532 ( 4.598 -0.517 -6.119) 7.671 5.009 ( 3.657 0.107 1.301) 3.883 5.049 ( 6.441 -0.182 2.694) 6.984 5.100 ( 5.947 0.333 -2.297) 6.384 5.187 ( 6.504 -2.609 -5.548) 8.938 5.379 ( -3.021 2.294 8.486) 9.296 5.497 ( -3.336 -2.742 6.182) 7.541 5.561 ( -2.973 1.485 -7.656) 8.346 5.599 ( -1.505 0.661 -3.421) 3.796 5.776 ( -2.791 1.657 3.519) 4.788 5.788 ( -1.858 0.818 2.586) 3.287 5.849 ( 0.497 1.148 -1.450) 1.915 5.873 ( 1.318 0.345 -3.391) 3.655 5.989 ( 1.648 -0.182 2.620) 3.101 6.004 ( 2.038 0.882 3.506) 4.150 6.102 ( 6.774 -2.965 2.509) 7.809 6.251 ( 1.960 -7.037 -8.505) 11.211 6.515 ( 0.126 1.064 6.365) 6.455 6.589 ( -2.000 -1.455 4.756) 5.361 6.620 ( -1.165 1.596 -4.494) 4.909 6.657 ( 6.648 6.030 6.765) 11.239 6.683 ( -2.334 -0.764 -1.956) 3.139 6.785 ( 1.033 4.263 -2.468) 5.033 6.877 ( 8.725 -2.933 4.629) 10.304 6.953 ( 6.220 -1.352 -1.350) 6.507 7.124 ( 7.099 3.426 3.090) 8.466 7.212 ( 1.509 -0.534 1.006) 1.890 7.311 ( 3.733 -1.561 -8.608) 9.512 7.353 ( 4.610 -1.413 -8.677) 9.927 7.699 ( -0.753 0.847 9.480) 9.547 7.716 ( -1.073 1.149 9.949) 10.072 7.879 ( -1.999 0.371 -2.305) 3.074 7.960 ( -2.291 -2.170 -6.859) 7.550 8.038 ( 1.195 2.721 3.143) 4.325 8.130 ( 3.792 0.833 -2.463) 4.598 8.176 ( 9.268 -0.649 -1.789) 9.462 8.187 ( 10.167 0.435 -1.611) 10.303 8.337 ( 1.979 0.366 1.262) 2.376 8.401 ( 0.508 2.004 -1.216) 2.399 8.478 ( 2.210 -1.867 -0.987) 3.057 8.559 ( 1.482 -1.955 -5.331) 5.868 8.967 ( -2.387 0.669 1.905) 3.126 8.995 ( 1.723 0.524 -0.600) 1.898 9.042 ( -3.786 -1.473 0.180) 4.066 9.050 ( -0.487 -1.016 -1.021) 1.521 9.366 ( -1.506 0.777 3.290) 3.701 9.420 ( -0.465 -1.108 0.615) 1.350 9.438 ( -0.445 -0.428 -1.070) 1.236 9.452 ( -1.162 -0.837 -2.541) 2.917 9.679 ( -2.906 -0.260 7.758) 8.288 9.698 ( -1.378 -0.478 5.159) 5.361 9.794 ( -0.250 0.056 -4.281) 4.289 9.833 ( -0.583 -1.873 -6.265) 6.565 10.251 ( -5.823 1.259 6.133) 8.550 10.329 ( -5.390 -0.941 1.181) 5.598 10.367 ( -7.228 -1.383 1.449) 7.500 10.404 ( -6.795 -1.465 1.217) 7.057 10.587 ( 0.464 0.850 -1.233) 1.567 10.610 ( 0.382 0.645 -0.983) 1.236 10.662 ( -3.393 0.172 -5.237) 6.243 10.669 ( -3.036 0.062 -6.530) 7.202 11.052 ( 4.358 0.919 9.757) 10.726 11.130 ( 1.844 -2.464 6.661) 7.338 11.218 ( 1.867 0.448 -6.554) 6.829 11.249 ( 1.221 -0.002 -5.112) 5.256 11.544 ( 3.216 1.514 2.035) 4.096 11.587 ( 1.028 2.095 -1.345) 2.694 11.615 ( 1.922 -0.662 1.922) 2.797 11.654 ( -1.739 0.388 -0.649) 1.896 12.025 ( -5.467 -0.640 16.879) 17.754 12.088 ( -7.621 -3.993 13.846) 16.301 12.192 ( -8.126 4.366 6.016) 11.013 12.330 ( -6.882 5.110 -3.304) 9.186 12.440 ( -18.829 -5.769 4.699) 20.245 12.508 ( -7.488 -2.535 -6.256) 10.082 12.644 ( -11.620 0.812 -11.352) 16.265 12.672 ( -17.145 0.336 -9.142) 19.433 13.697 ( -2.486 0.936 4.338) 5.087 13.736 ( -4.041 -0.325 3.562) 5.397 13.801 ( -1.564 -0.040 -3.178) 3.542 13.830 ( -2.362 -0.703 -3.165) 4.011 14.225 ( 17.037 3.770 0.475) 17.455 14.234 ( 16.591 3.962 -0.467) 17.064 14.391 ( 18.286 -3.563 7.303) 20.010 14.565 ( 21.175 -8.808 -9.766) 24.927 15.569 ( 16.185 1.671 11.593) 19.979 15.619 ( 17.229 -0.406 12.109) 21.063 15.851 ( 11.841 0.671 -13.938) 18.301 15.903 ( 10.696 -1.106 -13.639) 17.368 16.471 ( -4.482 0.207 2.167) 4.983 16.490 ( -4.562 0.164 0.479) 4.590 16.528 ( -5.063 -1.414 1.200) 5.392 16.534 ( -4.540 -1.028 0.660) 4.701 16.817 ( 7.864 0.146 5.560) 9.632 16.855 ( 10.997 -0.443 4.787) 12.002 16.955 ( 10.434 -1.197 -6.727) 12.472 17.014 ( 11.017 -1.527 -9.340) 14.524 17.624 ( -4.649 1.110 6.160) 7.797 17.676 ( -3.663 -0.977 3.263) 5.002 17.725 ( -3.124 0.646 -2.564) 4.093 17.743 ( -3.023 -0.108 -3.035) 4.285 17.982 ( -6.093 0.825 1.046) 6.237 18.054 ( -4.032 0.420 -4.910) 6.367 18.077 ( -2.146 -3.089 0.802) 3.846 18.116 ( -2.486 -2.225 -2.958) 4.459 18.519 ( -0.257 3.811 2.443) 4.534 18.547 ( -1.801 4.681 0.099) 5.016 18.701 ( -2.424 -3.836 3.907) 5.988 18.748 ( -5.713 -2.896 -0.087) 6.406 19.545 ( 20.588 4.238 22.523) 30.808 19.867 ( 10.014 -7.385 11.607) 17.016 20.011 ( 9.963 3.532 -17.493) 20.439 20.061 ( 6.074 0.724 -9.924) 11.657 20.257 ( 1.164 4.668 0.815) 4.880 20.301 ( 6.523 7.763 -6.657) 12.129 20.807 ( 5.916 -25.579 7.905) 27.418 20.991 ( 4.549 -21.235 -9.901) 23.868 21.610 ( 1.206 5.294 3.820) 6.639 21.651 ( 2.823 4.451 -0.814) 5.333 21.747 ( 6.812 -2.021 1.435) 7.248 21.773 ( 9.212 -2.100 -1.345) 9.543 22.608 ( -3.224 0.380 4.977) 5.942 22.647 ( -2.068 -1.677 3.012) 4.020 22.693 ( -2.071 -0.262 -2.054) 2.928 22.733 ( -0.461 -1.414 -4.203) 4.458 24.792 ( -0.531 16.305 5.436) 17.196 24.935 ( -2.500 19.579 -8.178) 21.365 25.073 ( -2.220 2.629 -0.036) 3.441 25.092 ( -2.490 4.006 -1.745) 5.029 25.131 ( 0.880 -0.427 0.445) 1.075 25.157 ( 1.521 -1.379 -1.614) 2.612 25.424 ( -4.264 -8.725 8.234) 12.732 25.615 ( -6.412 -6.597 -10.251) 13.774 ======================= Grid point 79 (31/36) ======================= q-point: ( 0.29 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 14.498 4.243 13.577) 20.311 1.495 ( 10.928 5.947 11.214) 16.750 1.702 ( 4.329 2.120 -6.939) 8.449 1.721 ( 8.042 -0.349 -12.674) 15.014 1.772 ( 1.978 -6.116 2.927) 7.063 1.873 ( 1.345 -2.645 -3.904) 4.904 1.892 ( 6.303 -7.388 3.749) 10.410 1.937 ( 2.411 -4.390 -1.786) 5.317 2.084 ( -1.431 2.359 2.259) 3.566 2.103 ( -2.131 4.771 0.854) 5.295 2.147 ( -3.142 1.629 1.782) 3.963 2.180 ( -0.359 -0.118 2.801) 2.827 2.191 ( -3.029 1.969 -0.986) 3.745 2.247 ( -3.103 -0.352 -1.694) 3.553 2.274 ( -3.659 -1.085 -1.700) 4.178 2.312 ( -2.719 -2.478 -3.657) 5.187 2.487 ( -1.433 4.102 0.809) 4.420 2.527 ( -1.709 -0.199 -0.496) 1.791 2.549 ( 0.036 2.002 -0.930) 2.207 2.624 ( -2.585 -1.176 -4.126) 5.009 2.695 ( -0.749 -1.752 1.452) 2.396 2.731 ( 1.091 0.411 -2.222) 2.509 2.750 ( -3.337 -2.305 2.723) 4.885 2.814 ( 0.323 -3.224 -1.233) 3.467 2.870 ( 1.395 -0.002 3.692) 3.947 2.919 ( -0.121 -2.133 1.532) 2.629 2.969 ( -2.563 -0.359 -4.598) 5.276 3.024 ( -2.474 0.945 -3.573) 4.448 3.143 ( 1.321 1.477 0.164) 1.989 3.159 ( 0.911 3.591 -1.285) 3.921 3.188 ( 0.438 -0.617 1.156) 1.382 3.226 ( -1.616 -1.427 -1.705) 2.748 3.395 ( 4.081 -1.346 0.250) 4.304 3.410 ( 2.816 -2.616 -0.122) 3.845 3.491 ( 10.034 -1.880 3.643) 10.839 3.555 ( 8.743 -4.726 -2.888) 10.349 3.798 ( 4.362 3.377 1.961) 5.854 3.814 ( -6.504 4.165 0.606) 7.747 3.857 ( 3.042 1.961 0.405) 3.642 3.884 ( -0.246 4.724 -2.264) 5.245 4.123 ( 3.557 -1.529 5.096) 6.400 4.184 ( 11.863 -2.086 0.606) 12.060 4.229 ( 9.719 -0.580 -4.424) 10.694 4.273 ( 0.450 -1.221 -7.039) 7.158 4.444 ( 8.897 0.809 3.766) 9.695 4.465 ( 6.722 0.371 3.534) 7.604 4.583 ( 6.288 -0.246 -4.840) 7.939 4.632 ( 5.368 -1.826 -7.595) 9.478 5.100 ( 4.525 0.369 6.458) 7.894 5.159 ( 3.353 -1.726 7.716) 8.589 5.197 ( 2.719 0.761 -1.694) 3.293 5.273 ( 1.389 -2.322 -2.404) 3.619 5.337 ( -0.874 2.134 4.175) 4.770 5.432 ( -2.776 -1.952 3.640) 4.976 5.487 ( -4.273 1.507 -7.628) 8.873 5.529 ( -5.096 0.516 -4.385) 6.743 5.742 ( 0.004 2.094 4.666) 5.114 5.776 ( 0.594 0.424 4.578) 4.635 5.856 ( 0.438 0.893 -3.614) 3.748 5.887 ( 1.907 1.270 -4.664) 5.197 6.006 ( -2.385 0.547 3.165) 4.001 6.016 ( -1.071 0.720 1.184) 1.751 6.166 ( -3.074 -4.112 0.229) 5.139 6.207 ( -5.295 -4.293 -2.517) 7.267 6.549 ( 4.542 0.814 4.460) 6.418 6.594 ( 4.566 0.140 1.100) 4.699 6.662 ( 4.180 -0.476 -2.508) 4.898 6.678 ( 2.920 -0.397 -2.271) 3.720 6.847 ( 10.842 6.419 5.271) 13.658 6.911 ( 10.412 5.232 1.146) 11.709 7.034 ( 5.285 -1.508 3.126) 6.322 7.061 ( 5.228 -0.700 1.579) 5.506 7.172 ( -3.140 0.327 0.134) 3.160 7.216 ( -1.246 2.099 -2.314) 3.363 7.276 ( -1.748 -1.724 1.744) 3.012 7.398 ( -2.427 -2.687 -6.377) 7.334 7.653 ( -3.478 0.669 8.345) 9.065 7.687 ( -1.920 -0.362 7.354) 7.609 7.818 ( -4.020 -0.082 -3.383) 5.255 7.879 ( -5.458 -1.752 -5.586) 8.004 8.107 ( 5.039 4.397 2.617) 7.182 8.239 ( 6.954 1.885 -7.927) 10.712 8.335 ( 3.393 -2.827 -0.534) 4.448 8.377 ( 4.908 -2.926 -3.601) 6.754 8.447 ( 10.892 0.535 5.099) 12.038 8.510 ( 9.324 0.049 1.412) 9.431 8.551 ( 2.774 -0.867 0.033) 2.907 8.593 ( 0.697 -0.568 -1.005) 1.348 8.929 ( 1.424 1.266 1.387) 2.357 8.987 ( -1.876 -0.138 0.007) 1.882 8.998 ( 3.224 0.655 -3.132) 4.543 9.057 ( 2.381 -0.939 -5.042) 5.655 9.343 ( -1.630 1.572 1.173) 2.551 9.378 ( -2.842 1.073 -1.742) 3.502 9.424 ( -1.280 -1.800 1.153) 2.492 9.454 ( -0.216 -1.751 -2.056) 2.709 9.606 ( -4.012 0.827 6.985) 8.098 9.661 ( -2.384 -0.933 2.954) 3.909 9.769 ( -2.630 -0.226 -6.053) 6.603 9.794 ( -3.869 -1.364 -8.809) 9.717 10.113 ( -6.692 1.919 3.366) 7.732 10.176 ( -7.750 1.035 -2.696) 8.271 10.225 ( -8.150 -2.892 2.727) 9.068 10.249 ( -9.195 -1.938 0.539) 9.412 10.568 ( -1.073 1.036 -0.108) 1.496 10.595 ( -2.168 1.032 -2.459) 3.437 10.613 ( -0.866 -0.412 -1.358) 1.663 10.623 ( -1.870 0.099 -2.235) 2.916 11.139 ( 3.973 0.311 9.601) 10.395 11.169 ( 2.104 -0.814 7.903) 8.219 11.254 ( 1.505 0.116 -1.987) 2.496 11.270 ( 0.844 -0.114 -1.999) 2.173 11.601 ( 0.528 1.858 0.741) 2.069 11.624 ( 4.672 0.908 0.240) 4.766 11.626 ( -0.609 2.527 1.442) 2.972 11.675 ( 3.767 0.209 -1.088) 3.927 11.898 ( -8.652 -2.689 12.400) 15.358 11.914 ( -8.103 -2.814 12.826) 15.430 12.014 ( -8.754 2.687 3.473) 9.793 12.109 ( -11.399 0.363 8.328) 14.122 12.198 ( -7.874 1.463 -10.015) 12.823 12.322 ( -10.069 -0.610 -8.941) 13.480 12.381 ( -11.648 -1.161 -7.503) 13.904 12.402 ( -12.023 -0.638 -7.797) 14.344 13.665 ( -0.555 0.487 3.717) 3.789 13.680 ( -1.580 -0.074 3.940) 4.246 13.764 ( -2.256 0.376 -5.010) 5.507 13.784 ( -2.759 -0.336 -5.300) 5.985 14.533 ( 12.947 4.264 2.492) 13.857 14.558 ( 14.267 1.733 -0.051) 14.372 14.660 ( 9.018 -2.351 8.209) 12.420 14.819 ( 6.219 -6.699 -6.999) 11.513 15.903 ( 15.381 1.582 7.697) 17.272 15.951 ( 13.376 -0.470 6.307) 14.796 16.075 ( 9.436 0.535 -8.329) 12.598 16.101 ( 7.773 -0.392 -7.546) 10.840 16.359 ( -6.029 0.793 2.211) 6.471 16.390 ( -5.406 1.009 -0.805) 5.557 16.423 ( -5.555 -1.620 1.781) 6.055 16.440 ( -5.368 -0.853 0.181) 5.439 17.041 ( 14.228 0.880 7.276) 16.005 17.107 ( 12.417 -1.474 5.244) 13.559 17.219 ( 16.060 0.181 -8.651) 18.243 17.272 ( 11.028 -1.581 -9.419) 14.589 17.532 ( -3.585 0.886 3.909) 5.377 17.579 ( -5.406 -0.724 2.116) 5.850 17.641 ( -4.603 0.283 -4.741) 6.614 17.652 ( -5.124 -0.052 -3.750) 6.350 17.932 ( 1.783 1.896 4.055) 4.818 18.019 ( 1.319 0.612 -3.955) 4.214 18.099 ( 4.005 -3.904 -2.066) 5.962 18.101 ( 1.717 -2.288 -1.902) 3.435 18.475 ( -4.317 2.803 2.400) 5.680 18.494 ( -3.663 2.842 0.570) 4.671 18.603 ( -7.153 -2.059 2.263) 7.780 18.619 ( -6.958 -2.115 0.723) 7.308 19.985 ( 17.495 0.653 11.642) 21.024 20.049 ( 8.390 0.581 3.656) 9.171 20.161 ( 5.496 -0.978 -1.273) 5.726 20.203 ( 4.820 -4.105 -2.864) 6.949 20.316 ( 9.547 8.438 4.838) 13.629 20.522 ( 15.095 9.045 -14.158) 22.586 20.927 ( 4.631 -18.113 3.841) 19.086 21.050 ( 0.088 -12.626 -7.235) 14.552 21.696 ( 8.419 6.338 4.663) 11.524 21.771 ( 10.172 4.883 -2.819) 11.630 21.922 ( 11.436 -4.312 4.529) 13.034 22.039 ( 16.260 -7.382 -7.336) 19.305 22.500 ( -8.244 1.089 5.500) 9.970 22.567 ( -6.408 -1.573 1.840) 6.850 22.621 ( -5.742 -0.447 -0.804) 5.815 22.702 ( -3.108 -2.690 -5.540) 6.898 24.791 ( 0.735 12.153 3.862) 12.773 24.887 ( -1.622 15.151 -5.464) 16.188 25.009 ( -4.138 3.186 1.035) 5.324 25.036 ( -3.598 3.137 -1.493) 5.001 25.150 ( 1.029 -1.427 1.438) 2.272 25.192 ( 2.030 -2.271 -2.450) 3.909 25.324 ( -5.302 -7.150 6.236) 10.868 25.465 ( -7.963 -6.554 -7.409) 12.699 ======================= Grid point 80 (32/36) ======================= q-point: ( 0.43 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 8.515 1.944 6.328) 10.786 1.702 ( 10.226 -0.267 6.658) 12.205 1.769 ( -0.602 0.828 3.826) 3.960 1.787 ( 3.873 -0.008 -3.710) 5.363 1.852 ( -2.868 0.020 -1.604) 3.286 1.868 ( 3.150 -2.628 -4.241) 5.900 1.937 ( -2.670 -2.766 -1.087) 3.995 1.967 ( -1.737 -4.359 -2.478) 5.306 2.017 ( -1.102 1.132 0.579) 1.683 2.059 ( -2.602 1.434 1.210) 3.208 2.072 ( -1.957 1.289 -2.422) 3.370 2.109 ( -4.202 0.368 -2.012) 4.673 2.212 ( 3.869 -1.110 2.911) 4.967 2.239 ( 2.116 -2.082 0.897) 3.101 2.257 ( 0.384 -0.905 -0.343) 1.041 2.287 ( -0.863 -1.204 -2.486) 2.894 2.477 ( 0.686 2.047 0.504) 2.217 2.500 ( -1.034 -1.088 -0.290) 1.529 2.526 ( -1.013 0.002 -2.574) 2.766 2.554 ( -3.296 -1.308 -3.165) 4.753 2.673 ( -0.744 1.084 3.216) 3.475 2.682 ( -1.603 3.053 3.035) 4.593 2.760 ( 0.512 -0.444 -3.810) 3.870 2.791 ( -2.450 1.201 -5.086) 5.772 2.921 ( 1.535 -2.461 0.676) 2.978 2.936 ( 0.036 -4.583 0.322) 4.594 2.949 ( 2.985 -3.699 -2.411) 5.330 3.001 ( -1.044 -0.952 -3.464) 3.741 3.140 ( 0.060 1.373 0.978) 1.687 3.155 ( 1.074 0.984 -0.641) 1.591 3.181 ( -3.091 -2.179 0.427) 3.806 3.195 ( -1.680 -2.811 -1.345) 3.540 3.452 ( 3.156 4.758 0.923) 5.784 3.497 ( 4.758 6.347 -2.484) 8.312 3.544 ( -3.873 7.228 1.354) 8.311 3.632 ( -4.535 6.574 -6.037) 10.011 3.732 ( 2.414 -2.544 1.424) 3.785 3.760 ( 4.129 -4.333 -0.619) 6.017 3.842 ( -4.736 -3.490 0.543) 5.908 3.872 ( -5.582 -1.772 -2.367) 6.317 4.335 ( 13.144 2.160 4.943) 14.208 4.406 ( 10.841 0.559 -0.943) 10.896 4.451 ( 8.200 -0.696 2.176) 8.512 4.454 ( 6.071 0.177 2.058) 6.413 4.582 ( 5.324 -1.585 0.286) 5.562 4.588 ( 6.443 -1.699 -0.742) 6.704 4.667 ( 0.338 -1.353 -3.380) 3.656 4.683 ( -1.538 -2.079 -4.915) 5.553 5.168 ( 2.822 -0.347 6.325) 6.934 5.179 ( -0.054 -0.568 6.908) 6.931 5.196 ( -1.496 0.151 4.102) 4.369 5.238 ( -3.895 -1.598 2.910) 5.118 5.357 ( 2.441 0.995 -1.869) 3.232 5.396 ( -0.923 -0.596 -2.692) 2.908 5.413 ( -2.640 0.604 -5.974) 6.559 5.429 ( -4.487 0.325 -3.797) 5.887 5.786 ( 4.262 1.709 5.583) 7.228 5.819 ( 3.951 0.177 8.417) 9.300 5.879 ( -0.021 1.993 1.704) 2.622 5.892 ( -4.030 1.915 4.335) 6.221 5.957 ( -2.628 -0.471 -0.546) 2.726 5.986 ( 3.905 -1.116 -5.809) 7.088 6.015 ( -7.234 0.126 -1.609) 7.412 6.106 ( -6.397 -2.927 -5.374) 8.853 6.664 ( 5.591 1.586 1.916) 6.119 6.711 ( 5.024 0.285 -1.862) 5.366 6.721 ( 1.239 0.879 -0.308) 1.550 6.758 ( 2.157 -1.213 -3.057) 3.933 7.023 ( 3.377 4.195 7.283) 9.058 7.063 ( 0.682 1.669 4.797) 5.125 7.102 ( 6.885 1.966 1.174) 7.256 7.132 ( 1.320 -0.196 0.392) 1.391 7.138 ( 0.787 -1.073 1.710) 2.166 7.187 ( 2.216 1.189 -2.963) 3.886 7.260 ( -2.135 -1.681 2.842) 3.932 7.294 ( -6.911 -1.076 0.359) 7.003 7.633 ( 3.257 -0.054 3.875) 5.062 7.670 ( 1.033 -1.280 1.161) 2.013 7.731 ( -4.415 -1.125 -3.021) 5.466 7.756 ( -7.052 -1.768 -3.555) 8.093 8.232 ( 7.866 4.291 5.344) 10.433 8.348 ( 2.727 0.718 -1.101) 3.027 8.398 ( -2.556 2.677 -0.398) 3.723 8.404 ( 1.583 0.995 -0.129) 1.874 8.518 ( -0.981 -1.435 0.592) 1.836 8.546 ( -0.299 -1.181 -1.072) 1.623 8.550 ( -1.069 -2.965 -2.871) 4.263 8.620 ( -2.415 -2.781 -4.587) 5.883 9.045 ( 10.147 1.465 5.806) 11.782 9.114 ( 13.778 -0.937 2.374) 14.013 9.173 ( 8.148 0.493 -5.667) 9.937 9.187 ( 11.182 0.371 -3.975) 11.874 9.265 ( -6.164 1.068 3.012) 6.943 9.313 ( -4.154 1.241 -1.600) 4.621 9.357 ( -7.379 -2.519 1.947) 8.037 9.390 ( -6.408 -1.539 -0.721) 6.629 9.573 ( 2.110 1.050 -1.019) 2.568 9.616 ( -0.779 -0.723 -2.409) 2.633 9.679 ( -6.668 -0.383 -9.454) 11.575 9.680 ( -6.431 -0.260 -6.939) 9.464 10.027 ( -1.581 1.565 2.438) 3.300 10.070 ( -6.191 0.118 1.583) 6.391 10.073 ( -2.280 0.074 -1.932) 2.990 10.096 ( -4.714 -1.087 -0.870) 4.915 10.565 ( 0.733 0.223 0.335) 0.836 10.574 ( 0.077 0.147 -0.430) 0.461 10.590 ( -1.556 -0.244 -0.370) 1.617 10.591 ( -1.313 -0.259 -0.427) 1.405 11.208 ( 3.434 0.005 8.807) 9.453 11.217 ( 2.855 -0.308 8.129) 8.621 11.263 ( -1.088 -0.144 3.126) 3.314 11.267 ( -1.737 -0.148 3.289) 3.723 11.618 ( 1.719 2.486 2.817) 4.131 11.637 ( 2.158 2.902 3.840) 5.275 11.689 ( -4.146 1.262 6.875) 8.127 11.704 ( -1.226 1.685 3.476) 4.052 11.773 ( 0.014 -1.631 3.086) 3.491 11.816 ( 3.091 -1.583 -2.911) 4.532 11.876 ( -6.342 0.246 -1.471) 6.515 11.934 ( -7.489 -1.231 -2.299) 7.930 12.114 ( 0.293 1.055 -2.397) 2.635 12.183 ( -3.289 -0.881 -5.908) 6.819 12.202 ( -7.428 -0.491 -4.354) 8.624 12.212 ( -5.493 -1.527 -5.303) 7.787 13.676 ( 1.638 0.084 0.249) 1.659 13.677 ( 1.121 0.070 0.643) 1.294 13.715 ( -2.535 0.223 -3.267) 4.141 13.724 ( -3.024 -0.128 -3.774) 4.837 14.714 ( 5.607 2.285 4.513) 7.552 14.757 ( 1.265 0.001 6.274) 6.400 14.773 ( 7.557 -0.646 -1.177) 7.676 14.860 ( -1.365 -3.331 -3.605) 5.095 16.134 ( 6.588 0.403 3.501) 7.472 16.141 ( 9.219 0.257 4.023) 10.062 16.208 ( 4.020 0.425 -3.603) 5.415 16.216 ( 4.706 0.427 -2.677) 5.431 16.250 ( -4.407 0.336 1.709) 4.739 16.294 ( -4.112 0.852 -1.901) 4.609 16.301 ( -6.876 -1.142 2.075) 7.272 16.333 ( -5.358 -0.758 -0.803) 5.471 17.279 ( 8.125 0.817 5.554) 9.875 17.316 ( 8.161 -0.299 2.715) 8.606 17.362 ( -0.853 0.478 1.492) 1.784 17.415 ( -0.089 -1.802 -3.719) 4.133 17.510 ( 1.923 0.333 -0.378) 1.988 17.527 ( 1.842 -0.065 -2.393) 3.020 17.568 ( -2.953 -0.434 -3.356) 4.492 17.576 ( -2.746 -0.320 -3.138) 4.182 18.047 ( 8.254 2.046 2.628) 8.900 18.107 ( 6.769 0.322 -3.068) 7.439 18.141 ( 0.472 -0.882 0.830) 1.300 18.192 ( 1.748 -3.263 -4.015) 5.461 18.390 ( -1.545 1.638 2.123) 3.094 18.416 ( -2.549 1.154 -0.180) 2.804 18.463 ( -6.241 -1.072 1.028) 6.415 18.475 ( -7.299 -1.088 -0.003) 7.380 20.138 ( 4.152 1.430 2.883) 5.253 20.179 ( 2.968 -0.087 -0.008) 2.969 20.198 ( -0.352 -0.085 0.693) 0.782 20.231 ( -0.732 -1.956 -1.204) 2.411 20.683 ( 19.997 3.313 4.760) 20.821 20.800 ( 11.283 1.787 -5.905) 12.859 20.942 ( -3.318 -6.196 -0.498) 7.046 20.968 ( -8.861 -4.135 -2.602) 10.118 21.942 ( 15.841 4.509 5.573) 17.388 22.048 ( 16.621 4.913 -4.430) 17.889 22.176 ( 11.119 -3.485 6.019) 13.115 22.264 ( -8.294 -0.104 4.242) 9.316 22.320 ( -2.852 1.153 -2.505) 3.967 22.420 ( -1.034 -5.796 -3.361) 6.779 22.458 ( -9.701 -2.844 0.900) 10.150 22.596 ( -7.975 -5.009 -8.034) 12.379 24.830 ( 3.354 7.517 2.418) 8.579 24.888 ( 1.622 8.737 -2.851) 9.333 24.917 ( -4.688 4.725 1.121) 6.750 24.954 ( -4.273 4.962 -2.143) 6.890 25.177 ( 1.947 -2.736 2.677) 4.294 25.233 ( -3.792 -4.758 4.222) 7.406 25.241 ( 3.183 -3.564 -3.429) 5.881 25.328 ( -5.775 -5.254 -4.904) 9.220 ======================= Grid point 84 (33/36) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 0.000 -16.270 12.774) 20.685 1.333 ( 0.000 16.270 12.774) 20.685 1.514 ( 0.000 -13.319 14.429) 19.636 1.514 ( 0.000 13.319 14.429) 19.636 1.607 ( 0.000 -9.238 -14.414) 17.120 1.607 ( 0.000 9.238 -14.414) 17.120 1.730 ( 0.000 -7.343 -5.653) 9.267 1.730 ( 0.000 7.343 -5.653) 9.267 2.089 ( 0.000 -1.625 10.678) 10.801 2.089 ( 0.000 1.625 10.678) 10.801 2.240 ( 0.000 -0.999 -1.682) 1.956 2.240 ( 0.000 0.999 -1.682) 1.956 2.358 ( 0.000 -2.685 -0.378) 2.711 2.358 ( 0.000 2.685 -0.378) 2.711 2.377 ( 0.000 -1.283 -2.270) 2.608 2.377 ( 0.000 1.283 -2.270) 2.608 2.481 ( 0.000 -7.552 4.039) 8.565 2.481 ( 0.000 7.552 4.039) 8.565 2.562 ( 0.000 -5.470 -2.796) 6.143 2.562 ( 0.000 5.470 -2.796) 6.143 2.724 ( 0.000 -5.707 2.359) 6.175 2.724 ( 0.000 5.707 2.359) 6.175 2.765 ( 0.000 -3.368 -2.044) 3.940 2.765 ( 0.000 3.368 -2.044) 3.940 2.949 ( 0.000 -4.872 4.016) 6.313 2.949 ( 0.000 4.872 4.016) 6.313 2.974 ( 0.000 -3.589 5.070) 6.211 2.974 ( 0.000 3.589 5.070) 6.211 2.994 ( 0.000 -0.286 2.702) 2.717 2.994 ( 0.000 0.286 2.702) 2.717 3.214 ( 0.000 -1.302 -8.508) 8.607 3.214 ( 0.000 1.302 -8.508) 8.607 3.255 ( 0.000 -1.494 7.244) 7.397 3.255 ( 0.000 1.494 7.244) 7.397 3.466 ( 0.000 -2.719 -9.250) 9.642 3.466 ( 0.000 2.719 -9.250) 9.642 3.669 ( 0.000 -2.655 -4.881) 5.556 3.669 ( 0.000 2.655 -4.881) 5.556 3.756 ( 0.000 -0.274 -10.646) 10.650 3.756 ( 0.000 0.274 -10.646) 10.650 4.251 ( 0.000 -4.317 3.792) 5.746 4.251 ( 0.000 4.317 3.792) 5.746 4.294 ( 0.000 -4.394 1.030) 4.513 4.294 ( 0.000 4.394 1.030) 4.513 4.375 ( 0.000 -1.752 2.390) 2.963 4.375 ( 0.000 1.752 2.390) 2.963 4.454 ( 0.000 -3.084 -3.313) 4.526 4.454 ( 0.000 3.084 -3.313) 4.526 4.979 ( 0.000 -1.745 1.166) 2.099 4.979 ( 0.000 1.745 1.166) 2.099 5.044 ( 0.000 -1.251 -6.023) 6.152 5.044 ( 0.000 1.251 -6.023) 6.152 5.483 ( 0.000 -3.157 7.159) 7.824 5.483 ( 0.000 3.157 7.159) 7.824 5.608 ( 0.000 -0.630 -3.538) 3.594 5.608 ( 0.000 0.630 -3.538) 3.594 5.825 ( 0.000 -0.088 2.399) 2.401 5.825 ( 0.000 0.088 2.399) 2.401 5.845 ( 0.000 -0.548 0.610) 0.820 5.845 ( 0.000 0.548 0.610) 0.820 5.959 ( 0.000 -0.278 4.610) 4.618 5.959 ( 0.000 0.278 4.610) 4.618 6.077 ( 0.000 -5.827 -7.241) 9.295 6.077 ( 0.000 5.827 -7.241) 9.295 6.554 ( 0.000 -1.976 7.535) 7.789 6.554 ( 0.000 1.976 7.535) 7.789 6.655 ( 0.000 -0.038 -1.807) 1.808 6.655 ( 0.000 0.038 -1.807) 1.808 6.732 ( 0.000 -1.037 4.190) 4.316 6.732 ( 0.000 1.037 4.190) 4.316 6.854 ( 0.000 -1.930 -5.732) 6.048 6.854 ( 0.000 1.930 -5.732) 6.048 7.120 ( 0.000 -4.209 3.341) 5.374 7.120 ( 0.000 4.209 3.341) 5.374 7.245 ( 0.000 -3.785 -9.383) 10.117 7.245 ( 0.000 3.785 -9.383) 10.117 7.719 ( 0.000 -0.106 12.731) 12.732 7.719 ( 0.000 0.106 12.731) 12.732 7.926 ( 0.000 -2.241 -5.466) 5.907 7.926 ( 0.000 2.241 -5.466) 5.907 8.081 ( 0.000 -1.326 0.444) 1.398 8.081 ( 0.000 1.326 0.444) 1.398 8.113 ( 0.000 -0.549 -2.647) 2.703 8.113 ( 0.000 0.549 -2.647) 2.703 8.373 ( 0.000 -4.337 2.976) 5.260 8.373 ( 0.000 4.337 2.976) 5.260 8.476 ( 0.000 -4.049 -6.215) 7.417 8.476 ( 0.000 4.049 -6.215) 7.417 8.996 ( 0.000 -2.082 2.134) 2.982 8.996 ( 0.000 2.082 2.134) 2.982 9.036 ( 0.000 -2.671 -0.448) 2.708 9.036 ( 0.000 2.671 -0.448) 2.708 9.402 ( 0.000 -0.916 3.071) 3.205 9.402 ( 0.000 0.916 3.071) 3.205 9.448 ( 0.000 -1.193 -1.859) 2.208 9.448 ( 0.000 1.193 -1.859) 2.208 9.706 ( 0.000 -0.122 6.291) 6.292 9.706 ( 0.000 0.122 6.291) 6.292 9.804 ( 0.000 -0.990 -4.026) 4.146 9.804 ( 0.000 0.990 -4.026) 4.146 10.327 ( 0.000 -1.732 8.039) 8.224 10.327 ( 0.000 1.732 8.039) 8.224 10.491 ( 0.000 -0.769 -7.361) 7.401 10.491 ( 0.000 0.769 -7.361) 7.401 10.574 ( 0.000 -1.213 4.171) 4.344 10.574 ( 0.000 1.213 4.171) 4.344 10.705 ( 0.000 -0.331 -7.746) 7.753 10.705 ( 0.000 0.331 -7.746) 7.753 11.040 ( 0.000 -2.697 10.180) 10.531 11.040 ( 0.000 2.697 10.180) 10.531 11.221 ( 0.000 -1.170 -8.646) 8.725 11.221 ( 0.000 1.170 -8.646) 8.725 11.556 ( 0.000 -2.487 4.492) 5.135 11.556 ( 0.000 2.487 4.492) 5.135 11.637 ( 0.000 -2.894 -3.391) 4.458 11.637 ( 0.000 2.894 -3.391) 4.458 12.107 ( 0.000 -1.952 18.254) 18.358 12.107 ( 0.000 1.952 18.254) 18.358 12.429 ( 0.000 -5.051 -9.393) 10.665 12.429 ( 0.000 5.051 -9.393) 10.665 12.545 ( 0.000 -1.816 13.138) 13.263 12.545 ( 0.000 1.816 13.138) 13.263 12.847 ( 0.000 -3.955 -12.143) 12.771 12.847 ( 0.000 3.955 -12.143) 12.771 13.758 ( 0.000 -1.639 4.560) 4.846 13.758 ( 0.000 1.639 4.560) 4.846 13.860 ( 0.000 -0.869 -5.083) 5.157 13.860 ( 0.000 0.869 -5.083) 5.157 14.031 ( 0.000 -0.229 4.970) 4.976 14.031 ( 0.000 0.229 4.970) 4.976 14.140 ( 0.000 -1.585 -4.907) 5.157 14.140 ( 0.000 1.585 -4.907) 5.157 15.406 ( 0.000 -0.955 16.044) 16.073 15.406 ( 0.000 0.955 16.044) 16.073 15.749 ( 0.000 -1.829 -17.257) 17.354 15.749 ( 0.000 1.829 -17.257) 17.354 16.530 ( 0.000 -1.985 2.902) 3.516 16.530 ( 0.000 1.985 2.902) 3.516 16.563 ( 0.000 -1.555 -0.329) 1.590 16.563 ( 0.000 1.555 -0.329) 1.590 16.744 ( 0.000 -2.091 5.242) 5.644 16.744 ( 0.000 2.091 5.242) 5.644 16.861 ( 0.000 -4.083 -6.079) 7.323 16.861 ( 0.000 4.083 -6.079) 7.323 17.694 ( 0.000 -0.985 4.932) 5.030 17.694 ( 0.000 0.985 4.932) 5.030 17.762 ( 0.000 -0.330 -1.206) 1.250 17.762 ( 0.000 0.330 -1.206) 1.250 18.086 ( 0.000 -0.757 -0.643) 0.993 18.086 ( 0.000 0.757 -0.643) 0.993 18.122 ( 0.000 -0.598 -3.685) 3.734 18.122 ( 0.000 0.598 -3.685) 3.734 18.612 ( 0.000 -5.235 5.156) 7.347 18.612 ( 0.000 5.235 5.156) 7.347 18.696 ( 0.000 -6.800 -3.095) 7.471 18.696 ( 0.000 6.800 -3.095) 7.471 19.492 ( 0.000 -11.829 28.104) 30.492 19.492 ( 0.000 11.829 28.104) 30.492 19.983 ( 0.000 -2.514 -18.479) 18.650 19.983 ( 0.000 2.514 -18.479) 18.650 20.388 ( 0.000 -10.603 2.032) 10.796 20.388 ( 0.000 10.603 2.032) 10.796 20.488 ( 0.000 -18.996 -9.409) 21.198 20.488 ( 0.000 18.996 -9.409) 21.198 21.643 ( 0.000 -0.144 4.014) 4.017 21.643 ( 0.000 0.144 4.014) 4.017 21.689 ( 0.000 -0.623 -0.825) 1.033 21.689 ( 0.000 0.623 -0.825) 1.033 22.645 ( 0.000 -0.542 3.923) 3.961 22.645 ( 0.000 0.542 3.923) 3.961 22.717 ( 0.000 -0.789 -2.901) 3.007 22.717 ( 0.000 0.789 -2.901) 3.007 25.074 ( 0.000 -4.113 1.926) 4.542 25.074 ( 0.000 4.113 1.926) 4.542 25.106 ( 0.000 -2.480 -1.285) 2.793 25.106 ( 0.000 2.480 -1.285) 2.793 25.214 ( 0.000 -14.562 9.231) 17.242 25.214 ( 0.000 14.562 9.231) 17.242 25.471 ( 0.000 -15.563 -16.166) 22.440 25.471 ( 0.000 15.563 -16.166) 22.440 ======================= Grid point 86 (34/36) ======================= q-point: ( 0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 7.020 -14.758 10.468) 19.408 1.417 ( 7.020 14.758 10.468) 19.408 1.538 ( 4.696 -12.190 10.902) 17.015 1.538 ( 4.696 12.190 10.902) 17.015 1.669 ( 3.968 -6.576 -9.478) 12.199 1.669 ( 3.968 6.576 -9.478) 12.199 1.764 ( 3.880 -5.910 -6.580) 9.658 1.764 ( 3.880 5.910 -6.580) 9.658 2.129 ( 2.394 -0.995 7.708) 8.132 2.129 ( 2.394 0.995 7.708) 8.132 2.231 ( -0.922 -1.188 -0.821) 1.714 2.231 ( -0.922 1.188 -0.821) 1.714 2.305 ( -4.602 -1.992 -0.426) 5.032 2.305 ( -4.602 1.992 -0.426) 5.032 2.338 ( -2.658 -0.175 -3.566) 4.451 2.338 ( -2.658 0.175 -3.566) 4.451 2.545 ( 3.610 -6.705 3.858) 8.537 2.545 ( 3.610 6.705 3.858) 8.537 2.618 ( 2.278 -4.989 -2.501) 6.028 2.618 ( 2.278 4.989 -2.501) 6.028 2.703 ( -1.998 -4.865 0.785) 5.318 2.703 ( -1.998 4.865 0.785) 5.318 2.726 ( -0.834 -6.586 -0.988) 6.711 2.726 ( -0.834 6.586 -0.988) 6.711 2.925 ( -2.640 -2.839 4.958) 6.294 2.925 ( -2.640 2.839 4.958) 6.294 2.994 ( 1.941 -4.105 1.650) 4.831 2.994 ( 1.941 4.105 1.650) 4.831 3.108 ( 6.629 -4.838 3.127) 8.782 3.108 ( 6.629 4.838 3.127) 8.782 3.204 ( 2.721 -2.727 -6.285) 7.372 3.204 ( 2.721 2.727 -6.285) 7.372 3.292 ( 2.629 -2.978 0.333) 3.986 3.292 ( 2.629 2.978 0.333) 3.986 3.365 ( -4.740 -2.239 -6.070) 8.020 3.365 ( -4.740 2.239 -6.070) 8.020 3.696 ( 5.468 -2.611 4.032) 7.278 3.696 ( 5.468 2.611 4.032) 7.278 3.848 ( 6.198 -1.848 -10.066) 11.965 3.848 ( 6.198 1.848 -10.066) 11.965 4.190 ( -7.746 -2.887 4.473) 9.399 4.190 ( -7.746 2.887 4.473) 9.399 4.265 ( -2.778 -1.691 -2.262) 3.962 4.265 ( -2.778 1.691 -2.262) 3.962 4.359 ( 3.940 -1.203 4.697) 6.248 4.359 ( 3.940 1.203 4.697) 6.248 4.504 ( 2.671 -1.675 -8.004) 8.602 4.504 ( 2.671 1.675 -8.004) 8.602 5.026 ( 4.655 -1.421 4.445) 6.592 5.026 ( 4.655 1.421 4.445) 6.592 5.133 ( 6.639 -2.500 -6.006) 9.295 5.133 ( 6.639 2.500 -6.006) 9.295 5.437 ( -3.236 -3.143 7.983) 9.169 5.437 ( -3.236 3.143 7.983) 9.169 5.593 ( -2.277 -1.227 -6.057) 6.586 5.593 ( -2.277 1.227 -6.057) 6.586 5.796 ( -1.900 -0.263 4.089) 4.517 5.796 ( -1.900 0.263 4.089) 4.517 5.872 ( 0.645 -0.693 -2.863) 3.015 5.872 ( 0.645 0.693 -2.863) 3.015 6.003 ( 3.784 -1.495 5.155) 6.567 6.003 ( 3.784 1.495 5.155) 6.567 6.114 ( 2.787 -5.299 -6.139) 8.575 6.114 ( 2.787 5.299 -6.139) 8.575 6.550 ( -0.970 -2.112 6.164) 6.587 6.550 ( -0.970 2.112 6.164) 6.587 6.656 ( -1.257 -1.744 -4.110) 4.638 6.656 ( -1.257 1.744 -4.110) 4.638 6.772 ( 7.073 -4.916 7.993) 11.751 6.772 ( 7.073 4.916 7.993) 11.751 6.902 ( 5.516 -4.031 -4.324) 8.085 6.902 ( 5.516 4.031 -4.324) 8.085 7.186 ( 3.572 -2.356 3.248) 5.372 7.186 ( 3.572 2.356 3.248) 5.372 7.311 ( 3.630 -1.786 -8.807) 9.692 7.311 ( 3.630 1.786 -8.807) 9.692 7.720 ( -0.689 -0.813 11.633) 11.682 7.720 ( -0.689 0.813 11.633) 11.682 7.909 ( -2.090 -2.482 -5.518) 6.402 7.909 ( -2.090 2.482 -5.518) 6.402 8.103 ( 4.097 -3.177 2.072) 5.583 8.103 ( 4.097 3.177 2.072) 5.583 8.183 ( 6.019 -0.999 -5.910) 8.495 8.183 ( 6.019 0.999 -5.910) 8.495 8.378 ( 1.665 -3.255 4.756) 5.999 8.378 ( 1.665 3.255 4.756) 5.999 8.501 ( 2.909 -3.401 -5.986) 7.474 8.501 ( 2.909 3.401 -5.986) 7.474 8.988 ( -2.067 -1.229 2.340) 3.355 8.988 ( -2.067 1.229 2.340) 3.355 9.031 ( 0.019 -0.620 -1.918) 2.015 9.031 ( 0.019 0.620 -1.918) 2.015 9.391 ( -0.515 -1.571 2.025) 2.614 9.391 ( -0.515 1.571 2.025) 2.614 9.437 ( -1.059 -0.412 -2.168) 2.448 9.437 ( -1.059 0.412 -2.168) 2.448 9.684 ( -2.071 -0.694 6.494) 6.851 9.684 ( -2.071 0.694 6.494) 6.851 9.802 ( -0.471 -0.929 -5.086) 5.192 9.802 ( -0.471 0.929 -5.086) 5.192 10.287 ( -4.378 -2.339 6.077) 7.847 10.287 ( -4.378 2.339 6.077) 7.847 10.373 ( -8.500 -1.315 -1.696) 8.767 10.373 ( -8.500 1.315 -1.696) 8.767 10.607 ( 0.768 -0.816 -0.814) 1.385 10.607 ( 0.768 0.816 -0.814) 1.385 10.668 ( -2.973 -0.249 -5.954) 6.659 10.668 ( -2.973 0.249 -5.954) 6.659 11.082 ( 3.508 -2.063 9.589) 10.417 11.082 ( 3.508 2.063 9.589) 10.417 11.236 ( 1.350 -1.029 -6.363) 6.586 11.236 ( 1.350 1.029 -6.363) 6.586 11.580 ( 2.261 -1.807 3.006) 4.173 11.580 ( 2.261 1.807 3.006) 4.173 11.642 ( 0.537 -1.783 -2.812) 3.373 11.642 ( 0.537 1.783 -2.812) 3.373 12.030 ( -7.044 -1.514 17.695) 19.106 12.030 ( -7.044 1.514 17.695) 19.106 12.303 ( -11.584 -6.405 1.418) 13.313 12.303 ( -11.584 6.405 1.418) 13.313 12.437 ( -7.930 -4.383 -0.391) 9.069 12.437 ( -7.930 4.383 -0.391) 9.069 12.664 ( -14.701 -0.911 -11.754) 18.844 12.664 ( -14.701 0.911 -11.754) 18.844 13.720 ( -2.983 -1.211 4.729) 5.721 13.720 ( -2.983 1.211 4.729) 5.721 13.811 ( -1.628 -0.957 -3.985) 4.410 13.811 ( -1.628 0.957 -3.985) 4.410 14.304 ( 17.957 -4.422 3.278) 18.782 14.304 ( 17.957 4.422 3.278) 18.782 14.374 ( 18.070 -8.969 -3.208) 20.427 14.374 ( 18.070 8.969 -3.208) 20.427 15.602 ( 17.233 -1.366 11.784) 20.921 15.602 ( 17.233 1.366 11.784) 20.921 15.875 ( 11.247 -1.535 -14.313) 18.268 15.875 ( 11.247 1.535 -14.313) 18.268 16.484 ( -4.156 -0.964 2.610) 5.002 16.484 ( -4.156 0.964 2.610) 5.002 16.514 ( -4.261 -0.597 -0.317) 4.314 16.514 ( -4.261 0.597 -0.317) 4.314 16.833 ( 8.809 -1.335 5.632) 10.541 16.833 ( 8.809 1.335 5.632) 10.541 16.969 ( 10.827 -2.251 -7.742) 13.499 16.969 ( 10.827 2.251 -7.742) 13.499 17.651 ( -4.203 -1.446 4.867) 6.591 17.651 ( -4.203 1.446 4.867) 6.591 17.737 ( -2.923 -0.487 -2.835) 4.101 17.737 ( -2.923 0.487 -2.835) 4.101 18.015 ( -4.611 -2.444 1.149) 5.344 18.015 ( -4.611 2.444 1.149) 5.344 18.076 ( -2.991 -1.543 -4.409) 5.547 18.076 ( -2.991 1.543 -4.409) 5.547 18.603 ( -1.597 -3.696 4.360) 5.935 18.603 ( -1.597 3.696 4.360) 5.935 18.664 ( -3.425 -4.423 -1.232) 5.728 18.664 ( -3.425 4.423 -1.232) 5.728 19.684 ( 17.167 -9.241 22.774) 29.979 19.684 ( 17.167 9.241 22.774) 29.979 20.059 ( 5.930 -0.987 -12.135) 13.542 20.059 ( 5.930 0.987 -12.135) 13.542 20.422 ( 3.557 -12.646 2.964) 13.467 20.422 ( 3.557 12.646 2.964) 13.467 20.569 ( 8.457 -18.651 -13.125) 24.324 20.569 ( 8.457 18.651 -13.125) 24.324 21.687 ( 4.473 -2.596 3.486) 6.237 21.687 ( 4.473 2.596 3.486) 6.237 21.728 ( 4.351 -2.146 -0.800) 4.917 21.728 ( 4.351 2.146 -0.800) 4.917 22.622 ( -2.529 -0.968 4.343) 5.118 22.622 ( -2.529 0.968 4.343) 5.118 22.704 ( -1.523 -1.273 -3.455) 3.985 22.704 ( -1.523 1.273 -3.455) 3.985 25.065 ( -1.122 -5.255 2.484) 5.920 25.065 ( -1.122 5.255 2.484) 5.920 25.103 ( -0.719 -2.788 -1.120) 3.089 25.103 ( -0.719 2.788 -1.120) 3.089 25.189 ( -1.897 -11.886 7.040) 13.944 25.189 ( -1.897 11.886 7.040) 13.944 25.399 ( -6.387 -15.229 -13.292) 21.199 25.399 ( -6.387 15.229 -13.292) 21.199 ======================= Grid point 88 (35/36) ======================= q-point: ( 0.29 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 6.771 -5.241 8.591) 12.129 1.549 ( 6.771 5.241 8.591) 12.129 1.703 ( 7.958 -3.557 4.725) 9.915 1.703 ( 7.958 3.557 4.725) 9.915 1.749 ( 6.393 -2.922 -4.474) 8.332 1.749 ( 6.393 2.922 -4.474) 8.332 1.861 ( 4.534 -2.212 -5.200) 7.245 1.861 ( 4.534 2.212 -5.200) 7.245 2.136 ( -2.792 -2.519 4.641) 5.974 2.136 ( -2.792 2.519 4.641) 5.974 2.192 ( -4.562 -3.502 0.867) 5.816 2.192 ( -4.562 3.502 0.867) 5.816 2.206 ( -2.487 -1.630 -0.795) 3.078 2.206 ( -2.487 1.630 -0.795) 3.078 2.273 ( -3.321 -1.657 -6.325) 7.334 2.273 ( -3.321 1.657 -6.325) 7.334 2.540 ( -2.545 -1.908 -0.308) 3.196 2.540 ( -2.545 1.908 -0.308) 3.196 2.578 ( -4.032 -3.204 -3.180) 6.053 2.578 ( -4.032 3.204 -3.180) 6.053 2.715 ( 2.187 -0.846 1.606) 2.842 2.715 ( 2.187 0.846 1.606) 2.842 2.752 ( 0.889 -2.024 -2.292) 3.184 2.752 ( 0.889 2.024 -2.292) 3.184 2.866 ( -1.654 -1.187 5.963) 6.301 2.866 ( -1.654 1.187 5.963) 6.301 3.001 ( -1.622 -2.669 -5.335) 6.182 3.001 ( -1.622 2.669 -5.335) 6.182 3.156 ( 0.743 -1.836 2.668) 3.323 3.156 ( 0.743 1.836 2.668) 3.323 3.221 ( -2.701 -0.781 -3.436) 4.440 3.221 ( -2.701 0.781 -3.436) 4.440 3.410 ( 9.818 -3.286 2.162) 10.577 3.410 ( 9.818 3.286 2.162) 10.577 3.456 ( 8.340 -3.746 -2.274) 9.421 3.456 ( 8.340 3.746 -2.274) 9.421 3.850 ( 3.462 -1.472 3.774) 5.328 3.850 ( 3.462 1.472 3.774) 5.328 3.916 ( -2.551 -2.491 -1.152) 3.747 3.916 ( -2.551 2.491 -1.152) 3.747 4.127 ( 8.171 -2.506 2.844) 9.008 4.127 ( 8.171 2.506 2.844) 9.008 4.239 ( 4.105 -1.667 -7.509) 8.718 4.239 ( 4.105 1.667 -7.509) 8.718 4.464 ( 6.210 -0.745 4.974) 7.991 4.464 ( 6.210 0.745 4.974) 7.991 4.593 ( 5.542 -1.500 -7.276) 9.269 4.593 ( 5.542 1.500 -7.276) 9.269 5.122 ( 3.932 -1.719 7.301) 8.469 5.122 ( 3.932 1.719 7.301) 8.469 5.226 ( 1.801 -2.082 -2.130) 3.480 5.226 ( 1.801 2.082 -2.130) 3.480 5.386 ( -1.527 -2.520 4.416) 5.309 5.386 ( -1.527 2.520 4.416) 5.309 5.520 ( -4.778 -1.355 -6.447) 8.138 5.520 ( -4.778 1.355 -6.447) 8.138 5.774 ( 0.137 -0.830 5.374) 5.439 5.774 ( 0.137 0.830 5.374) 5.439 5.886 ( 1.663 -1.435 -4.991) 5.453 5.886 ( 1.663 1.435 -4.991) 5.453 6.028 ( -2.626 -0.400 5.105) 5.754 6.028 ( -2.626 0.400 5.105) 5.754 6.127 ( -2.287 -1.710 -4.778) 5.567 6.127 ( -2.287 1.710 -4.778) 5.567 6.576 ( 4.930 -1.525 4.464) 6.823 6.576 ( 4.930 1.525 4.464) 6.823 6.668 ( 2.963 -0.741 -3.916) 4.966 6.668 ( 2.963 0.741 -3.916) 4.966 6.953 ( 9.722 -2.735 6.927) 12.246 6.953 ( 9.722 2.735 6.927) 12.246 7.032 ( 6.246 -2.028 -0.756) 6.611 7.032 ( 6.246 2.028 -0.756) 6.611 7.203 ( -1.207 -2.731 3.019) 4.246 7.203 ( -1.207 2.731 3.019) 4.246 7.312 ( -3.081 -5.001 -6.731) 8.934 7.312 ( -3.081 5.001 -6.731) 8.934 7.674 ( -3.214 -1.119 9.312) 9.914 7.674 ( -3.214 1.119 9.312) 9.914 7.837 ( -5.090 -1.998 -5.757) 7.940 7.837 ( -5.090 1.998 -5.757) 7.940 8.216 ( 5.464 -5.671 1.459) 8.009 8.216 ( 5.464 5.671 1.459) 8.009 8.312 ( 6.733 -2.695 -6.435) 9.695 8.312 ( 6.733 2.695 -6.435) 9.695 8.485 ( 8.066 -2.229 4.863) 9.678 8.485 ( 8.066 2.229 4.863) 9.678 8.564 ( 1.071 -1.760 -1.584) 2.599 8.564 ( 1.071 1.760 -1.584) 2.599 8.962 ( 1.039 -1.726 1.908) 2.775 8.962 ( 1.039 1.726 1.908) 2.775 9.030 ( 2.306 -1.713 -5.184) 5.927 9.030 ( 2.306 1.713 -5.184) 5.927 9.381 ( -1.395 -2.061 1.175) 2.752 9.381 ( -1.395 2.061 1.175) 2.752 9.412 ( -1.519 -2.059 -1.784) 3.119 9.412 ( -1.519 2.059 -1.784) 3.119 9.633 ( -2.923 -1.672 5.063) 6.080 9.633 ( -2.923 1.672 5.063) 6.080 9.771 ( -3.021 -0.647 -7.333) 7.957 9.771 ( -3.021 0.647 -7.333) 7.957 10.164 ( -7.010 -2.949 2.876) 8.131 10.164 ( -7.010 2.949 2.876) 8.131 10.207 ( -8.241 -1.949 -1.398) 8.583 10.207 ( -8.241 1.949 -1.398) 8.583 10.592 ( -1.572 -1.132 -0.396) 1.977 10.592 ( -1.572 1.132 -0.396) 1.977 10.619 ( -1.919 -0.619 -2.742) 3.404 10.619 ( -1.919 0.619 -2.742) 3.404 11.151 ( 3.203 -0.862 9.423) 9.990 11.151 ( 3.203 0.862 9.423) 9.990 11.263 ( 1.104 -0.556 -2.229) 2.549 11.263 ( 1.104 0.556 -2.229) 2.549 11.629 ( 2.184 -0.483 1.983) 2.989 11.629 ( 2.184 0.483 1.983) 2.989 11.671 ( 2.965 -1.109 -2.378) 3.960 11.671 ( 2.965 1.109 -2.378) 3.960 11.872 ( -8.380 -0.716 14.650) 16.892 11.872 ( -8.380 0.716 14.650) 16.892 12.071 ( -10.580 -2.927 2.095) 11.176 12.071 ( -10.580 2.927 2.095) 11.176 12.269 ( -8.543 -4.135 -5.045) 10.749 12.269 ( -8.543 4.135 -5.045) 10.749 12.383 ( -12.672 -0.999 -9.434) 15.830 12.383 ( -12.672 0.999 -9.434) 15.830 13.675 ( -1.181 -0.432 4.045) 4.236 13.675 ( -1.181 0.432 4.045) 4.236 13.774 ( -2.434 -0.551 -5.399) 5.948 13.774 ( -2.434 0.551 -5.399) 5.948 14.602 ( 11.633 -2.694 4.091) 12.622 14.602 ( 11.633 2.694 4.091) 12.622 14.664 ( 10.293 -7.611 -1.705) 12.915 14.664 ( 10.293 7.611 -1.705) 12.915 15.934 ( 14.162 -1.303 6.724) 15.731 15.934 ( 14.162 1.303 6.724) 15.731 16.089 ( 8.760 -0.743 -7.939) 11.845 16.089 ( 8.760 0.743 -7.939) 11.845 16.385 ( -5.584 -1.739 2.274) 6.276 16.385 ( -5.584 1.739 2.274) 6.276 16.416 ( -5.364 -1.322 -0.687) 5.567 16.416 ( -5.364 1.322 -0.687) 5.567 17.070 ( 13.964 -1.908 6.778) 15.639 17.070 ( 13.964 1.908 6.778) 15.639 17.236 ( 13.438 -1.585 -9.425) 16.490 17.236 ( 13.438 1.585 -9.425) 16.490 17.556 ( -4.398 -1.384 3.607) 5.854 17.556 ( -4.398 1.384 3.607) 5.854 17.648 ( -5.203 -0.352 -4.681) 7.008 17.648 ( -5.203 0.352 -4.681) 7.008 17.992 ( 2.959 -3.783 2.209) 5.286 17.992 ( 2.959 3.783 2.209) 5.286 18.060 ( 1.846 -1.352 -4.161) 4.749 18.060 ( 1.846 1.352 -4.161) 4.749 18.535 ( -5.313 -1.697 3.311) 6.486 18.535 ( -5.313 1.697 3.311) 6.486 18.570 ( -5.813 -1.585 -0.008) 6.025 18.570 ( -5.813 1.585 -0.008) 6.025 20.024 ( 13.715 -2.589 9.788) 17.048 20.024 ( 13.715 2.589 9.788) 17.048 20.154 ( 3.321 -0.641 -3.156) 4.627 20.154 ( 3.321 0.641 -3.156) 4.627 20.552 ( 10.516 -14.235 7.059) 19.054 20.552 ( 10.516 14.235 7.059) 19.054 20.775 ( 9.986 -12.493 -14.207) 21.392 20.775 ( 9.986 12.493 -14.207) 21.392 21.818 ( 9.136 -5.610 3.857) 11.393 21.818 ( 9.136 5.610 3.857) 11.393 21.890 ( 12.684 -6.686 -3.187) 14.688 21.890 ( 12.684 6.686 -3.187) 14.688 22.533 ( -6.926 -2.011 5.563) 9.109 22.533 ( -6.926 2.011 5.563) 9.109 22.643 ( -5.149 -2.651 -4.989) 7.644 22.643 ( -5.149 2.651 -4.989) 7.644 25.024 ( -2.741 -6.993 3.054) 8.108 25.024 ( -2.741 6.993 3.054) 8.108 25.063 ( -3.156 -1.661 -0.217) 3.573 25.063 ( -3.156 1.661 -0.217) 3.573 25.167 ( -0.372 -3.807 1.981) 4.308 25.167 ( -0.372 3.807 1.981) 4.308 25.270 ( -5.672 -12.184 -7.582) 15.431 25.270 ( -5.672 12.184 -7.582) 15.431 ======================= Grid point 90 (36/36) ======================= q-point: ( 0.43 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 8.089 -0.606 5.737) 9.935 1.697 ( 8.089 0.606 5.737) 9.935 1.792 ( 2.570 -0.208 -0.058) 2.579 1.792 ( 2.570 0.208 -0.058) 2.579 1.861 ( -0.946 -2.672 -2.095) 3.525 1.861 ( -0.946 2.672 -2.095) 3.525 1.883 ( -1.381 -1.762 -1.554) 2.725 1.883 ( -1.381 1.762 -1.554) 2.725 2.062 ( -0.930 -2.713 2.140) 3.579 2.062 ( -0.930 2.713 2.140) 3.579 2.095 ( -3.821 -0.411 -0.077) 3.844 2.095 ( -3.821 0.411 -0.077) 3.844 2.212 ( 2.130 -0.554 0.757) 2.328 2.212 ( 2.130 0.554 0.757) 2.328 2.247 ( -0.550 -1.078 -2.106) 2.429 2.247 ( -0.550 1.078 -2.106) 2.429 2.504 ( -0.697 -1.280 -2.449) 2.850 2.504 ( -0.697 1.280 -2.449) 2.850 2.517 ( -1.948 -1.708 -3.237) 4.146 2.517 ( -1.948 1.708 -3.237) 4.146 2.743 ( 0.766 -2.967 1.269) 3.317 2.743 ( 0.766 2.967 1.269) 3.317 2.753 ( -0.226 -3.070 0.094) 3.080 2.753 ( -0.226 3.070 0.094) 3.080 2.878 ( 2.662 -0.891 0.039) 2.808 2.878 ( 2.662 0.891 0.038) 2.808 2.951 ( -3.667 -3.072 -5.891) 7.589 2.951 ( -3.667 3.072 -5.891) 7.589 3.154 ( -0.378 -0.185 1.157) 1.231 3.154 ( -0.378 0.185 1.157) 1.231 3.167 ( -1.999 -0.769 0.267) 2.159 3.167 ( -1.999 0.769 0.267) 2.159 3.578 ( 7.555 -4.290 0.955) 8.741 3.578 ( 7.555 4.290 0.955) 8.741 3.622 ( 8.613 -2.868 -3.691) 9.800 3.622 ( 8.613 2.868 -3.691) 9.800 3.737 ( -7.997 -5.695 2.863) 10.227 3.737 ( -7.997 5.695 2.863) 10.227 3.806 ( -8.848 -4.854 -3.825) 10.792 3.806 ( -8.848 4.854 -3.825) 10.792 4.389 ( 12.365 -2.709 4.308) 13.371 4.389 ( 12.365 2.709 4.308) 13.371 4.446 ( 9.608 -0.951 -0.052) 9.655 4.446 ( 9.608 0.951 -0.052) 9.655 4.566 ( 3.993 -0.145 1.103) 4.145 4.566 ( 3.993 0.145 1.103) 4.145 4.652 ( -1.157 -0.437 -5.329) 5.471 4.652 ( -1.157 0.437 -5.329) 5.471 5.168 ( 1.475 -0.348 6.510) 6.684 5.168 ( 1.475 0.348 6.510) 6.684 5.208 ( -2.446 -1.128 3.592) 4.490 5.208 ( -2.446 1.128 3.592) 4.490 5.380 ( 0.763 -1.059 -2.122) 2.492 5.380 ( 0.763 1.059 -2.122) 2.492 5.427 ( -4.058 -0.510 -4.958) 6.427 5.427 ( -4.058 0.510 -4.958) 6.427 5.814 ( 4.011 -0.836 7.070) 8.171 5.814 ( 4.011 0.836 7.070) 8.171 5.918 ( -5.063 -1.507 6.386) 8.288 5.918 ( -5.063 1.507 6.386) 8.288 5.951 ( 2.920 -1.954 -5.030) 6.135 5.951 ( 2.920 1.954 -5.030) 6.135 6.045 ( -5.175 -2.663 -5.091) 7.733 6.045 ( -5.175 2.663 -5.091) 7.733 6.700 ( 5.590 -1.604 0.696) 5.856 6.700 ( 5.590 1.604 0.696) 5.856 6.736 ( 2.190 -0.706 -2.475) 3.379 6.736 ( 2.190 0.706 -2.475) 3.379 7.090 ( 1.174 -2.708 4.985) 5.793 7.090 ( 1.174 2.708 4.985) 5.793 7.104 ( 2.198 -1.588 4.058) 4.881 7.104 ( 2.198 1.588 4.058) 4.881 7.188 ( 1.566 -4.006 1.557) 4.574 7.188 ( 1.566 4.006 1.557) 4.574 7.249 ( -2.518 -2.895 -2.505) 4.583 7.249 ( -2.518 2.895 -2.505) 4.583 7.644 ( 1.257 -1.140 2.816) 3.288 7.644 ( 1.257 1.140 2.816) 3.288 7.724 ( -5.851 -0.845 -4.082) 7.184 7.724 ( -5.851 0.845 -4.082) 7.184 8.327 ( 6.514 -3.888 3.945) 8.551 8.327 ( 6.514 3.888 3.945) 8.551 8.424 ( 2.402 -0.511 -1.473) 2.864 8.424 ( 2.402 0.511 -1.473) 2.864 8.499 ( -2.968 -0.710 -1.012) 3.215 8.499 ( -2.968 0.710 -1.012) 3.215 8.559 ( -2.836 -2.461 -3.417) 5.077 8.559 ( -2.836 2.461 -3.417) 5.077 9.083 ( 11.734 -2.036 4.498) 12.730 9.083 ( 11.734 2.036 4.498) 12.730 9.185 ( 10.442 -0.491 -4.999) 11.588 9.185 ( 10.442 0.491 -4.999) 11.588 9.303 ( -7.666 -2.557 2.848) 8.569 9.303 ( -7.666 2.557 2.848) 8.569 9.348 ( -5.536 -2.200 -1.474) 6.137 9.348 ( -5.536 2.200 -1.474) 6.137 9.596 ( 0.570 -1.166 -1.395) 1.905 9.596 ( 0.570 1.166 -1.395) 1.905 9.676 ( -6.183 -0.096 -7.964) 10.083 9.676 ( -6.183 0.096 -7.964) 10.083 10.062 ( -2.607 -1.561 0.720) 3.123 10.062 ( -2.607 1.561 0.720) 3.123 10.076 ( -4.103 -0.334 -0.765) 4.187 10.076 ( -4.103 0.334 -0.765) 4.187 10.573 ( -0.132 -0.426 0.284) 0.529 10.573 ( -0.132 0.426 0.284) 0.529 10.586 ( -1.317 -0.192 -0.884) 1.598 10.586 ( -1.317 0.192 -0.884) 1.598 11.211 ( 3.135 -0.278 8.612) 9.169 11.211 ( 3.135 0.278 8.612) 9.169 11.263 ( -1.514 -0.143 3.169) 3.514 11.263 ( -1.514 0.143 3.169) 3.514 11.664 ( 1.715 -1.170 4.652) 5.094 11.664 ( 1.715 1.170 4.652) 5.094 11.715 ( -3.333 -1.098 9.282) 9.923 11.715 ( -3.333 1.098 9.282) 9.923 11.772 ( 3.860 -2.297 -3.259) 5.550 11.772 ( 3.860 2.297 -3.259) 5.550 11.897 ( -7.698 -1.919 -3.843) 8.816 11.897 ( -7.698 1.919 -3.843) 8.816 12.150 ( -2.239 -2.270 -3.362) 4.634 12.150 ( -2.239 2.270 -3.362) 4.634 12.194 ( -6.283 -0.101 -5.782) 8.539 12.194 ( -6.283 0.101 -5.782) 8.539 13.677 ( 1.331 -0.008 0.480) 1.415 13.677 ( 1.331 0.008 0.480) 1.415 13.720 ( -2.780 -0.252 -3.586) 4.544 13.720 ( -2.780 0.252 -3.586) 4.544 14.759 ( 4.530 -0.671 2.731) 5.332 14.759 ( 4.530 0.671 2.731) 5.332 14.782 ( 2.203 -3.813 0.500) 4.432 14.782 ( 2.203 3.813 0.500) 4.432 16.142 ( 7.823 -0.272 3.656) 8.640 16.142 ( 7.823 0.272 3.656) 8.640 16.216 ( 4.978 -0.288 -3.505) 6.095 16.216 ( 4.978 0.288 -3.505) 6.095 16.273 ( -5.855 -1.548 2.381) 6.508 16.273 ( -5.855 1.548 2.381) 6.508 16.313 ( -5.020 -1.055 -1.473) 5.337 16.313 ( -5.020 1.055 -1.473) 5.337 17.301 ( 8.093 -1.126 4.816) 9.485 17.301 ( 8.093 1.126 4.816) 9.485 17.380 ( 0.340 -1.350 -1.710) 2.204 17.380 ( 0.340 1.350 -1.710) 2.204 17.521 ( 1.313 -0.532 -0.606) 1.541 17.521 ( 1.313 0.532 -0.606) 1.541 17.567 ( -2.994 -0.373 -3.735) 4.801 17.567 ( -2.994 0.373 -3.735) 4.801 18.101 ( 6.087 -2.318 0.265) 6.519 18.101 ( 6.087 2.318 0.265) 6.519 18.132 ( 3.586 -0.862 -2.520) 4.467 18.132 ( 3.586 0.862 -2.520) 4.467 18.425 ( -4.100 -1.348 2.063) 4.784 18.425 ( -4.100 1.348 2.063) 4.784 18.450 ( -5.607 -0.982 -0.385) 5.705 18.450 ( -5.607 0.982 -0.385) 5.705 20.175 ( 3.127 -1.513 1.769) 3.899 20.175 ( 3.127 1.513 1.769) 3.899 20.193 ( 0.751 -0.369 0.031) 0.838 20.193 ( 0.751 0.369 0.031) 0.838 20.782 ( 10.029 -5.836 3.496) 12.119 20.782 ( 10.029 5.836 3.496) 12.119 20.882 ( 0.214 -3.341 -6.053) 6.917 20.882 ( 0.214 3.341 -6.053) 6.917 22.054 ( 14.411 -6.120 6.505) 16.954 22.054 ( 14.411 6.120 6.505) 16.954 22.191 ( 15.714 -7.508 -6.620) 18.631 22.191 ( 15.714 7.508 -6.620) 18.631 22.342 ( -11.893 -3.611 6.584) 14.065 22.342 ( -11.893 3.611 6.584) 14.065 22.483 ( -11.444 -5.260 -6.835) 14.330 22.483 ( -11.444 5.260 -6.835) 14.330 24.984 ( -0.817 -4.787 1.713) 5.149 24.984 ( -0.817 4.787 1.713) 5.149 25.001 ( -2.482 -1.693 0.226) 3.013 25.001 ( -2.482 1.693 0.226) 3.013 25.166 ( 0.443 -1.488 -0.624) 1.673 25.166 ( 0.443 1.488 -0.624) 1.673 25.192 ( -2.429 -6.464 -3.061) 7.553 25.192 ( -2.429 6.464 -3.061) 7.553 =================== 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 3/25200 10.0 361.145 310.609 374.089 0.000 0.000 0.000 3/25200 20.0 62.642 45.988 54.098 0.000 0.000 0.000 3/25200 30.0 25.239 17.915 21.488 0.000 0.000 0.000 3/25200 40.0 14.687 10.269 12.315 0.000 0.000 0.000 3/25200 50.0 10.199 7.015 8.421 0.000 0.000 0.000 3/25200 60.0 7.796 5.274 6.358 0.000 0.000 0.000 3/25200 70.0 6.317 4.208 5.105 0.000 0.000 0.000 3/25200 80.0 5.319 3.495 4.270 0.000 0.000 0.000 3/25200 90.0 4.604 2.986 3.678 0.000 0.000 0.000 3/25200 100.0 4.066 2.607 3.237 0.000 0.000 0.000 3/25200 110.0 3.649 2.314 2.896 0.000 0.000 0.000 3/25200 120.0 3.316 2.082 2.624 0.000 0.000 0.000 3/25200 130.0 3.044 1.893 2.403 0.000 0.000 0.000 3/25200 140.0 2.818 1.737 2.220 0.000 0.000 0.000 3/25200 150.0 2.627 1.606 2.065 0.000 0.000 0.000 3/25200 160.0 2.464 1.495 1.932 0.000 0.000 0.000 3/25200 170.0 2.323 1.399 1.817 0.000 0.000 0.000 3/25200 180.0 2.200 1.316 1.717 0.000 0.000 0.000 3/25200 190.0 2.091 1.243 1.628 0.000 0.000 0.000 3/25200 200.0 1.994 1.179 1.549 0.000 0.000 0.000 3/25200 210.0 1.907 1.122 1.478 0.000 0.000 0.000 3/25200 220.0 1.829 1.071 1.414 0.000 0.000 0.000 3/25200 230.0 1.757 1.025 1.356 0.000 0.000 0.000 3/25200 240.0 1.692 0.983 1.303 0.000 0.000 0.000 3/25200 250.0 1.632 0.945 1.254 0.000 0.000 0.000 3/25200 260.0 1.576 0.911 1.209 0.000 0.000 0.000 3/25200 270.0 1.525 0.879 1.167 0.000 0.000 0.000 3/25200 280.0 1.477 0.849 1.129 0.000 0.000 0.000 3/25200 290.0 1.433 0.822 1.093 0.000 0.000 0.000 3/25200 300.0 1.391 0.797 1.060 0.000 0.000 0.000 3/25200 310.0 1.352 0.773 1.028 0.000 0.000 0.000 3/25200 320.0 1.315 0.751 0.999 0.000 0.000 0.000 3/25200 330.0 1.280 0.730 0.971 0.000 0.000 0.000 3/25200 340.0 1.247 0.711 0.945 0.000 0.000 0.000 3/25200 350.0 1.215 0.692 0.920 0.000 0.000 0.000 3/25200 360.0 1.186 0.675 0.896 0.000 0.000 0.000 3/25200 370.0 1.157 0.658 0.874 0.000 0.000 0.000 3/25200 380.0 1.130 0.643 0.853 0.000 0.000 0.000 3/25200 390.0 1.105 0.628 0.833 0.000 0.000 0.000 3/25200 400.0 1.080 0.614 0.814 0.000 0.000 0.000 3/25200 410.0 1.057 0.600 0.795 0.000 0.000 0.000 3/25200 420.0 1.034 0.587 0.778 0.000 0.000 0.000 3/25200 430.0 1.013 0.575 0.761 0.000 0.000 0.000 3/25200 440.0 0.992 0.563 0.745 0.000 0.000 0.000 3/25200 450.0 0.973 0.552 0.730 0.000 0.000 0.000 3/25200 460.0 0.953 0.541 0.715 0.000 0.000 0.000 3/25200 470.0 0.935 0.530 0.701 0.000 0.000 0.000 3/25200 480.0 0.918 0.520 0.688 0.000 0.000 0.000 3/25200 490.0 0.901 0.511 0.674 0.000 0.000 0.000 3/25200 500.0 0.884 0.501 0.662 0.000 0.000 0.000 3/25200 510.0 0.868 0.492 0.650 0.000 0.000 0.000 3/25200 520.0 0.853 0.484 0.638 0.000 0.000 0.000 3/25200 530.0 0.838 0.475 0.627 0.000 0.000 0.000 3/25200 540.0 0.824 0.467 0.616 0.000 0.000 0.000 3/25200 550.0 0.810 0.460 0.605 0.000 0.000 0.000 3/25200 560.0 0.797 0.452 0.595 0.000 0.000 0.000 3/25200 570.0 0.784 0.445 0.585 0.000 0.000 0.000 3/25200 580.0 0.772 0.438 0.576 0.000 0.000 0.000 3/25200 590.0 0.760 0.431 0.567 0.000 0.000 0.000 3/25200 600.0 0.748 0.424 0.558 0.000 0.000 0.000 3/25200 610.0 0.736 0.418 0.549 0.000 0.000 0.000 3/25200 620.0 0.725 0.411 0.541 0.000 0.000 0.000 3/25200 630.0 0.715 0.405 0.533 0.000 0.000 0.000 3/25200 640.0 0.704 0.400 0.525 0.000 0.000 0.000 3/25200 650.0 0.694 0.394 0.517 0.000 0.000 0.000 3/25200 660.0 0.684 0.388 0.509 0.000 0.000 0.000 3/25200 670.0 0.675 0.383 0.502 0.000 0.000 0.000 3/25200 680.0 0.665 0.378 0.495 0.000 0.000 0.000 3/25200 690.0 0.656 0.372 0.488 0.000 0.000 0.000 3/25200 700.0 0.647 0.367 0.482 0.000 0.000 0.000 3/25200 710.0 0.639 0.363 0.475 0.000 0.000 0.000 3/25200 720.0 0.630 0.358 0.469 0.000 0.000 0.000 3/25200 730.0 0.622 0.353 0.463 0.000 0.000 0.000 3/25200 740.0 0.614 0.349 0.457 0.000 0.000 0.000 3/25200 750.0 0.607 0.344 0.451 0.000 0.000 0.000 3/25200 760.0 0.599 0.340 0.445 0.000 0.000 0.000 3/25200 770.0 0.592 0.336 0.440 0.000 0.000 0.000 3/25200 780.0 0.584 0.332 0.434 0.000 0.000 0.000 3/25200 790.0 0.577 0.328 0.429 0.000 0.000 0.000 3/25200 800.0 0.570 0.324 0.424 0.000 0.000 0.000 3/25200 810.0 0.564 0.320 0.419 0.000 0.000 0.000 3/25200 820.0 0.557 0.317 0.414 0.000 0.000 0.000 3/25200 830.0 0.551 0.313 0.409 0.000 0.000 0.000 3/25200 840.0 0.544 0.309 0.404 0.000 0.000 0.000 3/25200 850.0 0.538 0.306 0.400 0.000 0.000 0.000 3/25200 860.0 0.532 0.303 0.395 0.000 0.000 0.000 3/25200 870.0 0.526 0.299 0.391 0.000 0.000 0.000 3/25200 880.0 0.521 0.296 0.386 0.000 0.000 0.000 3/25200 890.0 0.515 0.293 0.382 0.000 0.000 0.000 3/25200 900.0 0.510 0.290 0.378 0.000 0.000 0.000 3/25200 910.0 0.504 0.287 0.374 0.000 0.000 0.000 3/25200 920.0 0.499 0.284 0.370 0.000 0.000 0.000 3/25200 930.0 0.494 0.281 0.366 0.000 0.000 0.000 3/25200 940.0 0.489 0.278 0.363 0.000 0.000 0.000 3/25200 950.0 0.484 0.275 0.359 0.000 0.000 0.000 3/25200 960.0 0.479 0.272 0.355 0.000 0.000 0.000 3/25200 970.0 0.474 0.270 0.352 0.000 0.000 0.000 3/25200 980.0 0.469 0.267 0.348 0.000 0.000 0.000 3/25200 990.0 0.465 0.264 0.345 0.000 0.000 0.000 3/25200 1000.0 0.460 0.262 0.341 0.000 0.000 0.000 3/25200 Thermal conductivity related properties were written into "kappa-m745.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:31:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|