----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:28:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fdd2 (43) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 9.007959415000000 3.081641910000000 b 7.385106845000000 0.000000000000000 3.081641910000000 c 7.385106845000000 9.007959415000000 0.000000000000000 Atomic positions (fractional): *1 P 0.07507437810726 0.91257002938648 0.43167188194405 30.974 2 P 0.91257002938648 0.07507437810726 0.58068371056221 30.974 3 P 0.66931628943779 0.81832811805595 0.33742997061352 30.974 4 P 0.81832811805595 0.66931628943779 0.17492562189275 30.974 *5 P 0.53963103010959 0.00300161099925 0.80346666990988 30.974 6 P 0.00300161099925 0.53963103010959 0.65390068898128 30.974 7 P 0.44653333009012 0.59609931101872 0.71036896989041 30.974 8 P 0.59609931101872 0.44653333009012 0.24699838900075 30.974 *9 Ba 0.58229253256580 0.93316948678776 0.07832903680955 137.327 10 Ba 0.93316948678776 0.58229253256580 0.40620894383690 137.327 11 Ba 0.84379105616310 0.17167096319045 0.31683051321224 137.327 12 Ba 0.17167096319045 0.84379105616310 0.66770746743420 137.327 *13 Ba 0.50162091204393 0.50162091204393 0.99837908795607 137.327 14 Ba 0.25162091204393 0.25162091204393 0.74837908795607 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.770213690000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.015918830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.163283820000000 Atomic positions (fractional): *1 P 0.17212095566527 0.75337313002565 0.49382220374687 30.974 > 1 2 P 0.32787904433473 0.74662686997435 0.49382220374687 30.974 > 2 3 P 0.07787904433473 0.50337313002565 0.24382220374687 30.974 > 3 4 P 0.42212095566527 0.99662686997435 0.24382220374687 30.974 > 4 *5 P 0.40323414045457 0.67154885000973 0.27131632055442 30.974 > 5 6 P 0.09676585954543 0.82845114999027 0.27131632055442 30.974 > 6 7 P 0.15323414045456 0.57845114999027 0.02131632055442 30.974 > 7 8 P 0.34676585954543 0.92154885000973 0.02131632055442 30.974 > 8 9 P 0.17212095566527 0.25337313002565 0.99382220374687 30.974 > 1 10 P 0.32787904433473 0.24662686997435 0.99382220374687 30.974 > 2 11 P 0.07787904433473 0.00337313002565 0.74382220374687 30.974 > 3 12 P 0.42212095566527 0.49662686997435 0.74382220374687 30.974 > 4 13 P 0.40323414045457 0.17154885000973 0.77131632055442 30.974 > 5 14 P 0.09676585954543 0.32845114999026 0.77131632055442 30.974 > 6 15 P 0.15323414045456 0.07845114999027 0.52131632055442 30.974 > 7 16 P 0.34676585954543 0.42154885000974 0.52131632055442 30.974 > 8 17 P 0.67212095566527 0.75337313002565 0.99382220374687 30.974 > 1 18 P 0.82787904433473 0.74662686997435 0.99382220374687 30.974 > 2 19 P 0.57787904433473 0.50337313002565 0.74382220374687 30.974 > 3 20 P 0.92212095566527 0.99662686997435 0.74382220374687 30.974 > 4 21 P 0.90323414045456 0.67154885000973 0.77131632055442 30.974 > 5 22 P 0.59676585954544 0.82845114999027 0.77131632055442 30.974 > 6 23 P 0.65323414045456 0.57845114999027 0.52131632055442 30.974 > 7 24 P 0.84676585954544 0.92154885000973 0.52131632055442 30.974 > 8 25 P 0.67212095566527 0.25337313002565 0.49382220374687 30.974 > 1 26 P 0.82787904433473 0.24662686997435 0.49382220374687 30.974 > 2 27 P 0.57787904433473 0.00337313002565 0.24382220374687 30.974 > 3 28 P 0.92212095566527 0.49662686997435 0.24382220374687 30.974 > 4 29 P 0.90323414045456 0.17154885000973 0.27131632055442 30.974 > 5 30 P 0.59676585954544 0.32845114999026 0.27131632055442 30.974 > 6 31 P 0.65323414045456 0.07845114999027 0.02131632055442 30.974 > 7 32 P 0.84676585954544 0.42154885000974 0.02131632055442 30.974 > 8 *33 Ba 0.00574926179865 0.83031078468767 0.75773100967678 137.327 > 9 34 Ba 0.49425073820135 0.66968921531233 0.75773100967678 137.327 > 10 35 Ba 0.24425073820135 0.58031078468767 0.50773100967678 137.327 > 11 36 Ba 0.25574926179865 0.91968921531233 0.50773100967678 137.327 > 12 *37 Ba 0.25000000000000 0.75000000000000 0.00162091204393 137.327 > 13 38 Ba 0.00000000000000 0.00000000000000 0.25162091204393 137.327 > 14 39 Ba 0.00574926179865 0.33031078468767 0.25773100967678 137.327 > 9 40 Ba 0.49425073820135 0.16968921531233 0.25773100967678 137.327 > 10 41 Ba 0.24425073820135 0.08031078468767 0.00773100967678 137.327 > 11 42 Ba 0.25574926179865 0.41968921531233 0.00773100967678 137.327 > 12 43 Ba 0.25000000000000 0.25000000000000 0.50162091204393 137.327 > 13 44 Ba 0.00000000000000 0.50000000000000 0.75162091204393 137.327 > 14 45 Ba 0.50574926179865 0.83031078468767 0.25773100967678 137.327 > 9 46 Ba 0.99425073820135 0.66968921531233 0.25773100967678 137.327 > 10 47 Ba 0.74425073820135 0.58031078468767 0.00773100967678 137.327 > 11 48 Ba 0.75574926179865 0.91968921531233 0.00773100967678 137.327 > 12 49 Ba 0.75000000000000 0.75000000000000 0.50162091204393 137.327 > 13 50 Ba 0.50000000000000 0.00000000000000 0.75162091204393 137.327 > 14 51 Ba 0.50574926179865 0.33031078468767 0.75773100967678 137.327 > 9 52 Ba 0.99425073820135 0.16968921531233 0.75773100967678 137.327 > 10 53 Ba 0.74425073820135 0.08031078468767 0.50773100967678 137.327 > 11 54 Ba 0.75574926179865 0.41968921531233 0.50773100967678 137.327 > 12 55 Ba 0.75000000000000 0.25000000000000 0.00162091204393 137.327 > 13 56 Ba 0.50000000000000 0.50000000000000 0.25162091204393 137.327 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.770213690000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.015918830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.326567640000000 Atomic positions (fractional): *1 P 0.17212095566527 0.75337313002565 0.24691110187343 30.974 > 1 2 P 0.17212095566527 0.75337313002565 0.74691110187343 30.974 > 1 3 P 0.32787904433473 0.74662686997435 0.24691110187343 30.974 > 2 4 P 0.32787904433473 0.74662686997435 0.74691110187343 30.974 > 2 5 P 0.07787904433473 0.50337313002565 0.12191110187343 30.974 > 3 6 P 0.07787904433473 0.50337313002565 0.62191110187343 30.974 > 3 7 P 0.42212095566527 0.99662686997435 0.12191110187343 30.974 > 4 8 P 0.42212095566527 0.99662686997435 0.62191110187343 30.974 > 4 *9 P 0.40323414045457 0.67154885000973 0.13565816027721 30.974 > 5 10 P 0.40323414045457 0.67154885000973 0.63565816027721 30.974 > 5 11 P 0.09676585954543 0.82845114999027 0.13565816027721 30.974 > 6 12 P 0.09676585954543 0.82845114999027 0.63565816027721 30.974 > 6 13 P 0.15323414045456 0.57845114999027 0.01065816027721 30.974 > 7 14 P 0.15323414045456 0.57845114999027 0.51065816027721 30.974 > 7 15 P 0.34676585954543 0.92154885000973 0.01065816027721 30.974 > 8 16 P 0.34676585954543 0.92154885000973 0.51065816027721 30.974 > 8 17 P 0.17212095566527 0.25337313002565 0.49691110187343 30.974 > 1 18 P 0.17212095566527 0.25337313002565 0.99691110187343 30.974 > 1 19 P 0.32787904433473 0.24662686997435 0.49691110187343 30.974 > 2 20 P 0.32787904433473 0.24662686997435 0.99691110187343 30.974 > 2 21 P 0.07787904433473 0.00337313002565 0.37191110187343 30.974 > 3 22 P 0.07787904433473 0.00337313002565 0.87191110187343 30.974 > 3 23 P 0.42212095566527 0.49662686997435 0.37191110187343 30.974 > 4 24 P 0.42212095566527 0.49662686997435 0.87191110187343 30.974 > 4 25 P 0.40323414045457 0.17154885000973 0.38565816027721 30.974 > 5 26 P 0.40323414045457 0.17154885000973 0.88565816027721 30.974 > 5 27 P 0.09676585954543 0.32845114999026 0.38565816027721 30.974 > 6 28 P 0.09676585954543 0.32845114999026 0.88565816027721 30.974 > 6 29 P 0.15323414045456 0.07845114999027 0.26065816027721 30.974 > 7 30 P 0.15323414045456 0.07845114999027 0.76065816027721 30.974 > 7 31 P 0.34676585954543 0.42154885000974 0.26065816027721 30.974 > 8 32 P 0.34676585954543 0.42154885000974 0.76065816027721 30.974 > 8 33 P 0.67212095566527 0.75337313002565 0.49691110187343 30.974 > 1 34 P 0.67212095566527 0.75337313002565 0.99691110187343 30.974 > 1 35 P 0.82787904433473 0.74662686997435 0.49691110187343 30.974 > 2 36 P 0.82787904433473 0.74662686997435 0.99691110187343 30.974 > 2 37 P 0.57787904433473 0.50337313002565 0.37191110187343 30.974 > 3 38 P 0.57787904433473 0.50337313002565 0.87191110187343 30.974 > 3 39 P 0.92212095566527 0.99662686997435 0.37191110187343 30.974 > 4 40 P 0.92212095566527 0.99662686997435 0.87191110187343 30.974 > 4 41 P 0.90323414045456 0.67154885000973 0.38565816027721 30.974 > 5 42 P 0.90323414045456 0.67154885000973 0.88565816027721 30.974 > 5 43 P 0.59676585954544 0.82845114999027 0.38565816027721 30.974 > 6 44 P 0.59676585954544 0.82845114999027 0.88565816027721 30.974 > 6 45 P 0.65323414045456 0.57845114999027 0.26065816027721 30.974 > 7 46 P 0.65323414045456 0.57845114999027 0.76065816027721 30.974 > 7 47 P 0.84676585954544 0.92154885000973 0.26065816027721 30.974 > 8 48 P 0.84676585954544 0.92154885000973 0.76065816027721 30.974 > 8 49 P 0.67212095566527 0.25337313002565 0.24691110187343 30.974 > 1 50 P 0.67212095566527 0.25337313002565 0.74691110187343 30.974 > 1 51 P 0.82787904433473 0.24662686997435 0.24691110187343 30.974 > 2 52 P 0.82787904433473 0.24662686997435 0.74691110187343 30.974 > 2 53 P 0.57787904433473 0.00337313002565 0.12191110187343 30.974 > 3 54 P 0.57787904433473 0.00337313002565 0.62191110187343 30.974 > 3 55 P 0.92212095566527 0.49662686997435 0.12191110187343 30.974 > 4 56 P 0.92212095566527 0.49662686997435 0.62191110187343 30.974 > 4 57 P 0.90323414045456 0.17154885000973 0.13565816027721 30.974 > 5 58 P 0.90323414045456 0.17154885000973 0.63565816027721 30.974 > 5 59 P 0.59676585954544 0.32845114999026 0.13565816027721 30.974 > 6 60 P 0.59676585954544 0.32845114999026 0.63565816027721 30.974 > 6 61 P 0.65323414045456 0.07845114999027 0.01065816027721 30.974 > 7 62 P 0.65323414045456 0.07845114999027 0.51065816027721 30.974 > 7 63 P 0.84676585954544 0.42154885000974 0.01065816027721 30.974 > 8 64 P 0.84676585954544 0.42154885000974 0.51065816027721 30.974 > 8 *65 Ba 0.00574926179865 0.83031078468767 0.37886550483839 137.327 > 9 66 Ba 0.00574926179865 0.83031078468767 0.87886550483839 137.327 > 9 67 Ba 0.49425073820135 0.66968921531233 0.37886550483839 137.327 > 10 68 Ba 0.49425073820135 0.66968921531233 0.87886550483839 137.327 > 10 69 Ba 0.24425073820135 0.58031078468767 0.25386550483839 137.327 > 11 70 Ba 0.24425073820135 0.58031078468767 0.75386550483839 137.327 > 11 71 Ba 0.25574926179865 0.91968921531233 0.25386550483839 137.327 > 12 72 Ba 0.25574926179865 0.91968921531233 0.75386550483839 137.327 > 12 *73 Ba 0.25000000000000 0.75000000000000 0.00081045602196 137.327 > 13 74 Ba 0.25000000000000 0.75000000000000 0.50081045602196 137.327 > 13 75 Ba 0.00000000000000 0.00000000000000 0.12581045602196 137.327 > 14 76 Ba 0.00000000000000 0.00000000000000 0.62581045602196 137.327 > 14 77 Ba 0.00574926179865 0.33031078468767 0.12886550483839 137.327 > 9 78 Ba 0.00574926179865 0.33031078468767 0.62886550483839 137.327 > 9 79 Ba 0.49425073820135 0.16968921531233 0.12886550483839 137.327 > 10 80 Ba 0.49425073820135 0.16968921531233 0.62886550483839 137.327 > 10 81 Ba 0.24425073820135 0.08031078468767 0.00386550483839 137.327 > 11 82 Ba 0.24425073820135 0.08031078468767 0.50386550483839 137.327 > 11 83 Ba 0.25574926179865 0.41968921531233 0.00386550483839 137.327 > 12 84 Ba 0.25574926179865 0.41968921531233 0.50386550483839 137.327 > 12 85 Ba 0.25000000000000 0.25000000000000 0.25081045602196 137.327 > 13 86 Ba 0.25000000000000 0.25000000000000 0.75081045602196 137.327 > 13 87 Ba 0.00000000000000 0.50000000000000 0.37581045602196 137.327 > 14 88 Ba 0.00000000000000 0.50000000000000 0.87581045602196 137.327 > 14 89 Ba 0.50574926179865 0.83031078468767 0.12886550483839 137.327 > 9 90 Ba 0.50574926179865 0.83031078468767 0.62886550483839 137.327 > 9 91 Ba 0.99425073820135 0.66968921531233 0.12886550483839 137.327 > 10 92 Ba 0.99425073820135 0.66968921531233 0.62886550483839 137.327 > 10 93 Ba 0.74425073820135 0.58031078468767 0.00386550483839 137.327 > 11 94 Ba 0.74425073820135 0.58031078468767 0.50386550483839 137.327 > 11 95 Ba 0.75574926179865 0.91968921531233 0.00386550483839 137.327 > 12 96 Ba 0.75574926179865 0.91968921531233 0.50386550483839 137.327 > 12 97 Ba 0.75000000000000 0.75000000000000 0.25081045602196 137.327 > 13 98 Ba 0.75000000000000 0.75000000000000 0.75081045602196 137.327 > 13 99 Ba 0.50000000000000 0.00000000000000 0.37581045602196 137.327 > 14 100 Ba 0.50000000000000 0.00000000000000 0.87581045602196 137.327 > 14 101 Ba 0.50574926179865 0.33031078468767 0.37886550483839 137.327 > 9 102 Ba 0.50574926179865 0.33031078468767 0.87886550483839 137.327 > 9 103 Ba 0.99425073820135 0.16968921531233 0.37886550483839 137.327 > 10 104 Ba 0.99425073820135 0.16968921531233 0.87886550483839 137.327 > 10 105 Ba 0.74425073820135 0.08031078468767 0.25386550483839 137.327 > 11 106 Ba 0.74425073820135 0.08031078468767 0.75386550483839 137.327 > 11 107 Ba 0.75574926179865 0.41968921531233 0.25386550483839 137.327 > 12 108 Ba 0.75574926179865 0.41968921531233 0.75386550483839 137.327 > 12 109 Ba 0.75000000000000 0.25000000000000 0.00081045602196 137.327 > 13 110 Ba 0.75000000000000 0.25000000000000 0.50081045602196 137.327 > 13 111 Ba 0.50000000000000 0.50000000000000 0.12581045602196 137.327 > 14 112 Ba 0.50000000000000 0.50000000000000 0.62581045602196 137.327 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.9167796 0.0000000 0.0000000 0.0000000 11.2964137 0.0000000 0.0000000 0.0000000 9.3162235 -------------------------- Born effective charges -------------------------- 1 P -0.5266962 -0.9751923 0.5885206 -0.4633216 -1.1601164 -0.7169744 0.3621682 -0.3857633 -1.4821007 2 P -0.5266962 -0.9751923 -0.5885206 -0.4633216 -1.1601164 0.7169744 -0.3621682 0.3857633 -1.4821007 3 P -0.5266962 0.9751923 -0.5885206 0.4633216 -1.1601164 -0.7169744 -0.3621682 -0.3857633 -1.4821007 4 P -0.5266962 0.9751923 0.5885206 0.4633216 -1.1601164 0.7169744 0.3621682 0.3857633 -1.4821007 5 P -2.9516051 0.7790882 0.7742551 0.4553088 -3.0395848 -0.5439931 0.1599136 0.1272203 -2.3727095 6 P -2.9516051 0.7790882 -0.7742551 0.4553088 -3.0395848 0.5439931 -0.1599136 -0.1272203 -2.3727095 7 P -2.9516051 -0.7790882 0.7742551 -0.4553088 -3.0395848 0.5439931 0.1599136 -0.1272203 -2.3727095 8 P -2.9516051 -0.7790882 -0.7742551 -0.4553088 -3.0395848 -0.5439931 -0.1599136 0.1272203 -2.3727095 9 Ba 2.5480528 0.1984295 -0.4449871 -0.3043568 2.8865956 -0.3805348 -0.2404812 -0.3638011 2.2997810 10 Ba 2.5480528 0.1984295 0.4449871 -0.3043568 2.8865956 0.3805348 0.2404812 0.3638011 2.2997810 11 Ba 2.5480528 -0.1984295 0.4449871 0.3043568 2.8865956 -0.3805348 0.2404812 -0.3638011 2.2997810 12 Ba 2.5480528 -0.1984295 -0.4449871 0.3043568 2.8865956 0.3805348 -0.2404812 0.3638011 2.2997810 13 Ba 1.8604969 1.1502587 0.0000000 0.4101879 2.6262112 0.0000000 0.0000000 0.0000000 3.1100585 14 Ba 1.8604969 -1.1502587 0.0000000 -0.4101879 2.6262112 0.0000000 0.0000000 0.0000000 3.1100585 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 9798/9798 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1808 Number of blocks in projector: 1808 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: 396 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 212 Use standard eigh solver. Tree of FC basis block matrices: - (1808, 1776), data: False |-- (212, 208), data: True |-- (212, 208), data: True |-- (212, 208), data: True |-- (388, 382), data: True |-- (388, 382), data: True |-- (396, 388), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 2.886 Solver_block: 200 / 480 - Time: 2.870 Solver_block: 300 / 480 - Time: 2.880 Solver_block: 400 / 480 - Time: 2.875 Solver_block: 480 / 480 - Time: 2.333 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.893 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yx) -0.00000000 (yx) Permutation basis: 336/336 Permutation basis: 9798/9798 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1808 Number of blocks in projector: 1808 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: 396 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 212 Use standard eigh solver. Tree of FC basis block matrices: - (1808, 1776), data: False |-- (212, 208), data: True |-- (212, 208), data: True |-- (212, 208), data: True |-- (388, 382), data: True |-- (388, 382), data: True |-- (396, 388), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yx) 0.00000000 (yx) 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 00:28:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:28:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fdd2 (43) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 9.007959415000000 3.081641910000000 b 7.385106845000000 0.000000000000000 3.081641910000000 c 7.385106845000000 9.007959415000000 0.000000000000000 Atomic positions (fractional): 1 P 0.07507437810726 0.91257002938648 0.43167188194405 30.974 2 P 0.91257002938648 0.07507437810726 0.58068371056221 30.974 3 P 0.66931628943779 0.81832811805595 0.33742997061352 30.974 4 P 0.81832811805595 0.66931628943779 0.17492562189275 30.974 5 P 0.53963103010959 0.00300161099925 0.80346666990988 30.974 6 P 0.00300161099925 0.53963103010959 0.65390068898128 30.974 7 P 0.44653333009012 0.59609931101872 0.71036896989041 30.974 8 P 0.59609931101872 0.44653333009012 0.24699838900075 30.974 9 Ba 0.58229253256580 0.93316948678776 0.07832903680955 137.327 10 Ba 0.93316948678776 0.58229253256580 0.40620894383690 137.327 11 Ba 0.84379105616310 0.17167096319045 0.31683051321224 137.327 12 Ba 0.17167096319045 0.84379105616310 0.66770746743420 137.327 13 Ba 0.50162091204393 0.50162091204393 0.99837908795607 137.327 14 Ba 0.25162091204393 0.25162091204393 0.74837908795607 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.770213690000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.015918830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.326567640000000 Atomic positions (fractional): 1 P 0.17212095566527 0.75337313002565 0.24691110187343 30.974 > 1 2 P 0.17212095566527 0.75337313002565 0.74691110187343 30.974 > 1 3 P 0.32787904433473 0.74662686997435 0.24691110187343 30.974 > 3 4 P 0.32787904433473 0.74662686997435 0.74691110187343 30.974 > 3 5 P 0.07787904433473 0.50337313002565 0.12191110187343 30.974 > 5 6 P 0.07787904433473 0.50337313002565 0.62191110187343 30.974 > 5 7 P 0.42212095566527 0.99662686997435 0.12191110187343 30.974 > 7 8 P 0.42212095566527 0.99662686997435 0.62191110187343 30.974 > 7 9 P 0.40323414045457 0.67154885000973 0.13565816027721 30.974 > 9 10 P 0.40323414045457 0.67154885000973 0.63565816027721 30.974 > 9 11 P 0.09676585954543 0.82845114999027 0.13565816027721 30.974 > 11 12 P 0.09676585954543 0.82845114999027 0.63565816027721 30.974 > 11 13 P 0.15323414045456 0.57845114999027 0.01065816027721 30.974 > 13 14 P 0.15323414045456 0.57845114999027 0.51065816027721 30.974 > 13 15 P 0.34676585954543 0.92154885000973 0.01065816027721 30.974 > 15 16 P 0.34676585954543 0.92154885000973 0.51065816027721 30.974 > 15 17 P 0.17212095566527 0.25337313002565 0.49691110187343 30.974 > 1 18 P 0.17212095566527 0.25337313002565 0.99691110187343 30.974 > 1 19 P 0.32787904433473 0.24662686997435 0.49691110187343 30.974 > 3 20 P 0.32787904433473 0.24662686997435 0.99691110187343 30.974 > 3 21 P 0.07787904433473 0.00337313002565 0.37191110187343 30.974 > 5 22 P 0.07787904433473 0.00337313002565 0.87191110187343 30.974 > 5 23 P 0.42212095566527 0.49662686997435 0.37191110187343 30.974 > 7 24 P 0.42212095566527 0.49662686997435 0.87191110187343 30.974 > 7 25 P 0.40323414045457 0.17154885000973 0.38565816027721 30.974 > 9 26 P 0.40323414045457 0.17154885000973 0.88565816027721 30.974 > 9 27 P 0.09676585954543 0.32845114999026 0.38565816027721 30.974 > 11 28 P 0.09676585954543 0.32845114999026 0.88565816027721 30.974 > 11 29 P 0.15323414045456 0.07845114999027 0.26065816027721 30.974 > 13 30 P 0.15323414045456 0.07845114999027 0.76065816027721 30.974 > 13 31 P 0.34676585954543 0.42154885000974 0.26065816027721 30.974 > 15 32 P 0.34676585954543 0.42154885000974 0.76065816027721 30.974 > 15 33 P 0.67212095566527 0.75337313002565 0.49691110187343 30.974 > 1 34 P 0.67212095566527 0.75337313002565 0.99691110187343 30.974 > 1 35 P 0.82787904433473 0.74662686997435 0.49691110187343 30.974 > 3 36 P 0.82787904433473 0.74662686997435 0.99691110187343 30.974 > 3 37 P 0.57787904433473 0.50337313002565 0.37191110187343 30.974 > 5 38 P 0.57787904433473 0.50337313002565 0.87191110187343 30.974 > 5 39 P 0.92212095566527 0.99662686997435 0.37191110187343 30.974 > 7 40 P 0.92212095566527 0.99662686997435 0.87191110187343 30.974 > 7 41 P 0.90323414045456 0.67154885000973 0.38565816027721 30.974 > 9 42 P 0.90323414045456 0.67154885000973 0.88565816027721 30.974 > 9 43 P 0.59676585954544 0.82845114999027 0.38565816027721 30.974 > 11 44 P 0.59676585954544 0.82845114999027 0.88565816027721 30.974 > 11 45 P 0.65323414045456 0.57845114999027 0.26065816027721 30.974 > 13 46 P 0.65323414045456 0.57845114999027 0.76065816027721 30.974 > 13 47 P 0.84676585954544 0.92154885000973 0.26065816027721 30.974 > 15 48 P 0.84676585954544 0.92154885000973 0.76065816027721 30.974 > 15 49 P 0.67212095566527 0.25337313002565 0.24691110187343 30.974 > 1 50 P 0.67212095566527 0.25337313002565 0.74691110187343 30.974 > 1 51 P 0.82787904433473 0.24662686997435 0.24691110187343 30.974 > 3 52 P 0.82787904433473 0.24662686997435 0.74691110187343 30.974 > 3 53 P 0.57787904433473 0.00337313002565 0.12191110187343 30.974 > 5 54 P 0.57787904433473 0.00337313002565 0.62191110187343 30.974 > 5 55 P 0.92212095566527 0.49662686997435 0.12191110187343 30.974 > 7 56 P 0.92212095566527 0.49662686997435 0.62191110187343 30.974 > 7 57 P 0.90323414045456 0.17154885000973 0.13565816027721 30.974 > 9 58 P 0.90323414045456 0.17154885000973 0.63565816027721 30.974 > 9 59 P 0.59676585954544 0.32845114999026 0.13565816027721 30.974 > 11 60 P 0.59676585954544 0.32845114999026 0.63565816027721 30.974 > 11 61 P 0.65323414045456 0.07845114999027 0.01065816027721 30.974 > 13 62 P 0.65323414045456 0.07845114999027 0.51065816027721 30.974 > 13 63 P 0.84676585954544 0.42154885000974 0.01065816027721 30.974 > 15 64 P 0.84676585954544 0.42154885000974 0.51065816027721 30.974 > 15 65 Ba 0.00574926179865 0.83031078468767 0.37886550483839 137.327 > 65 66 Ba 0.00574926179865 0.83031078468767 0.87886550483839 137.327 > 65 67 Ba 0.49425073820135 0.66968921531233 0.37886550483839 137.327 > 67 68 Ba 0.49425073820135 0.66968921531233 0.87886550483839 137.327 > 67 69 Ba 0.24425073820135 0.58031078468767 0.25386550483839 137.327 > 69 70 Ba 0.24425073820135 0.58031078468767 0.75386550483839 137.327 > 69 71 Ba 0.25574926179865 0.91968921531233 0.25386550483839 137.327 > 71 72 Ba 0.25574926179865 0.91968921531233 0.75386550483839 137.327 > 71 73 Ba 0.25000000000000 0.75000000000000 0.00081045602196 137.327 > 73 74 Ba 0.25000000000000 0.75000000000000 0.50081045602196 137.327 > 73 75 Ba 0.00000000000000 0.00000000000000 0.12581045602196 137.327 > 75 76 Ba 0.00000000000000 0.00000000000000 0.62581045602196 137.327 > 75 77 Ba 0.00574926179865 0.33031078468767 0.12886550483839 137.327 > 65 78 Ba 0.00574926179865 0.33031078468767 0.62886550483839 137.327 > 65 79 Ba 0.49425073820135 0.16968921531233 0.12886550483839 137.327 > 67 80 Ba 0.49425073820135 0.16968921531233 0.62886550483839 137.327 > 67 81 Ba 0.24425073820135 0.08031078468767 0.00386550483839 137.327 > 69 82 Ba 0.24425073820135 0.08031078468767 0.50386550483839 137.327 > 69 83 Ba 0.25574926179865 0.41968921531233 0.00386550483839 137.327 > 71 84 Ba 0.25574926179865 0.41968921531233 0.50386550483839 137.327 > 71 85 Ba 0.25000000000000 0.25000000000000 0.25081045602196 137.327 > 73 86 Ba 0.25000000000000 0.25000000000000 0.75081045602196 137.327 > 73 87 Ba 0.00000000000000 0.50000000000000 0.37581045602196 137.327 > 75 88 Ba 0.00000000000000 0.50000000000000 0.87581045602196 137.327 > 75 89 Ba 0.50574926179865 0.83031078468767 0.12886550483839 137.327 > 65 90 Ba 0.50574926179865 0.83031078468767 0.62886550483839 137.327 > 65 91 Ba 0.99425073820135 0.66968921531233 0.12886550483839 137.327 > 67 92 Ba 0.99425073820135 0.66968921531233 0.62886550483839 137.327 > 67 93 Ba 0.74425073820135 0.58031078468767 0.00386550483839 137.327 > 69 94 Ba 0.74425073820135 0.58031078468767 0.50386550483839 137.327 > 69 95 Ba 0.75574926179865 0.91968921531233 0.00386550483839 137.327 > 71 96 Ba 0.75574926179865 0.91968921531233 0.50386550483839 137.327 > 71 97 Ba 0.75000000000000 0.75000000000000 0.25081045602196 137.327 > 73 98 Ba 0.75000000000000 0.75000000000000 0.75081045602196 137.327 > 73 99 Ba 0.50000000000000 0.00000000000000 0.37581045602196 137.327 > 75 100 Ba 0.50000000000000 0.00000000000000 0.87581045602196 137.327 > 75 101 Ba 0.50574926179865 0.33031078468767 0.37886550483839 137.327 > 65 102 Ba 0.50574926179865 0.33031078468767 0.87886550483839 137.327 > 65 103 Ba 0.99425073820135 0.16968921531233 0.37886550483839 137.327 > 67 104 Ba 0.99425073820135 0.16968921531233 0.87886550483839 137.327 > 67 105 Ba 0.74425073820135 0.08031078468767 0.25386550483839 137.327 > 69 106 Ba 0.74425073820135 0.08031078468767 0.75386550483839 137.327 > 69 107 Ba 0.75574926179865 0.41968921531233 0.25386550483839 137.327 > 71 108 Ba 0.75574926179865 0.41968921531233 0.75386550483839 137.327 > 71 109 Ba 0.75000000000000 0.25000000000000 0.00081045602196 137.327 > 73 110 Ba 0.75000000000000 0.25000000000000 0.50081045602196 137.327 > 73 111 Ba 0.50000000000000 0.50000000000000 0.12581045602196 137.327 > 75 112 Ba 0.50000000000000 0.50000000000000 0.62581045602196 137.327 > 75 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.9167796 0.0000000 0.0000000 0.0000000 11.2964137 0.0000000 0.0000000 0.0000000 9.3162235 -------------------------- Born effective charges -------------------------- 1 P -0.5266962 -0.9751923 0.5885206 -0.4633216 -1.1601164 -0.7169744 0.3621682 -0.3857633 -1.4821007 2 P -0.5266962 -0.9751923 -0.5885206 -0.4633216 -1.1601164 0.7169744 -0.3621682 0.3857633 -1.4821007 3 P -0.5266962 0.9751923 -0.5885206 0.4633216 -1.1601164 -0.7169744 -0.3621682 -0.3857633 -1.4821007 4 P -0.5266962 0.9751923 0.5885206 0.4633216 -1.1601164 0.7169744 0.3621682 0.3857633 -1.4821007 5 P -2.9516051 0.7790882 0.7742551 0.4553088 -3.0395848 -0.5439931 0.1599136 0.1272203 -2.3727095 6 P -2.9516051 0.7790882 -0.7742551 0.4553088 -3.0395848 0.5439931 -0.1599136 -0.1272203 -2.3727095 7 P -2.9516051 -0.7790882 0.7742551 -0.4553088 -3.0395848 0.5439931 0.1599136 -0.1272203 -2.3727095 8 P -2.9516051 -0.7790882 -0.7742551 -0.4553088 -3.0395848 -0.5439931 -0.1599136 0.1272203 -2.3727095 9 Ba 2.5480528 0.1984295 -0.4449871 -0.3043568 2.8865956 -0.3805348 -0.2404812 -0.3638011 2.2997810 10 Ba 2.5480528 0.1984295 0.4449871 -0.3043568 2.8865956 0.3805348 0.2404812 0.3638011 2.2997810 11 Ba 2.5480528 -0.1984295 0.4449871 0.3043568 2.8865956 -0.3805348 0.2404812 -0.3638011 2.2997810 12 Ba 2.5480528 -0.1984295 -0.4449871 0.3043568 2.8865956 0.3805348 -0.2404812 0.3638011 2.2997810 13 Ba 1.8604969 1.1502587 0.0000000 0.4101879 2.6262112 0.0000000 0.0000000 0.0000000 3.1100585 14 Ba 1.8604969 -1.1502587 0.0000000 -0.4101879 2.6262112 0.0000000 0.0000000 0.0000000 3.1100585 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (zzz) -0.00000003 (zzz) -0.00000003 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:28:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:28:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fdd2 (43) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 9.007959415000000 3.081641910000000 b 7.385106845000000 0.000000000000000 3.081641910000000 c 7.385106845000000 9.007959415000000 0.000000000000000 Atomic positions (fractional): 1 P 0.07507437810726 0.91257002938648 0.43167188194405 30.974 2 P 0.91257002938648 0.07507437810726 0.58068371056221 30.974 3 P 0.66931628943779 0.81832811805595 0.33742997061352 30.974 4 P 0.81832811805595 0.66931628943779 0.17492562189275 30.974 5 P 0.53963103010959 0.00300161099925 0.80346666990988 30.974 6 P 0.00300161099925 0.53963103010959 0.65390068898128 30.974 7 P 0.44653333009012 0.59609931101872 0.71036896989041 30.974 8 P 0.59609931101872 0.44653333009012 0.24699838900075 30.974 9 Ba 0.58229253256580 0.93316948678776 0.07832903680955 137.327 10 Ba 0.93316948678776 0.58229253256580 0.40620894383690 137.327 11 Ba 0.84379105616310 0.17167096319045 0.31683051321224 137.327 12 Ba 0.17167096319045 0.84379105616310 0.66770746743420 137.327 13 Ba 0.50162091204393 0.50162091204393 0.99837908795607 137.327 14 Ba 0.25162091204393 0.25162091204393 0.74837908795607 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.770213690000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.015918830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.326567640000000 Atomic positions (fractional): 1 P 0.17212095566527 0.75337313002565 0.24691110187343 30.974 > 1 2 P 0.17212095566527 0.75337313002565 0.74691110187343 30.974 > 1 3 P 0.32787904433473 0.74662686997435 0.24691110187343 30.974 > 3 4 P 0.32787904433473 0.74662686997435 0.74691110187343 30.974 > 3 5 P 0.07787904433473 0.50337313002565 0.12191110187343 30.974 > 5 6 P 0.07787904433473 0.50337313002565 0.62191110187343 30.974 > 5 7 P 0.42212095566527 0.99662686997435 0.12191110187343 30.974 > 7 8 P 0.42212095566527 0.99662686997435 0.62191110187343 30.974 > 7 9 P 0.40323414045457 0.67154885000973 0.13565816027721 30.974 > 9 10 P 0.40323414045457 0.67154885000973 0.63565816027721 30.974 > 9 11 P 0.09676585954543 0.82845114999027 0.13565816027721 30.974 > 11 12 P 0.09676585954543 0.82845114999027 0.63565816027721 30.974 > 11 13 P 0.15323414045456 0.57845114999027 0.01065816027721 30.974 > 13 14 P 0.15323414045456 0.57845114999027 0.51065816027721 30.974 > 13 15 P 0.34676585954543 0.92154885000973 0.01065816027721 30.974 > 15 16 P 0.34676585954543 0.92154885000973 0.51065816027721 30.974 > 15 17 P 0.17212095566527 0.25337313002565 0.49691110187343 30.974 > 1 18 P 0.17212095566527 0.25337313002565 0.99691110187343 30.974 > 1 19 P 0.32787904433473 0.24662686997435 0.49691110187343 30.974 > 3 20 P 0.32787904433473 0.24662686997435 0.99691110187343 30.974 > 3 21 P 0.07787904433473 0.00337313002565 0.37191110187343 30.974 > 5 22 P 0.07787904433473 0.00337313002565 0.87191110187343 30.974 > 5 23 P 0.42212095566527 0.49662686997435 0.37191110187343 30.974 > 7 24 P 0.42212095566527 0.49662686997435 0.87191110187343 30.974 > 7 25 P 0.40323414045457 0.17154885000973 0.38565816027721 30.974 > 9 26 P 0.40323414045457 0.17154885000973 0.88565816027721 30.974 > 9 27 P 0.09676585954543 0.32845114999026 0.38565816027721 30.974 > 11 28 P 0.09676585954543 0.32845114999026 0.88565816027721 30.974 > 11 29 P 0.15323414045456 0.07845114999027 0.26065816027721 30.974 > 13 30 P 0.15323414045456 0.07845114999027 0.76065816027721 30.974 > 13 31 P 0.34676585954543 0.42154885000974 0.26065816027721 30.974 > 15 32 P 0.34676585954543 0.42154885000974 0.76065816027721 30.974 > 15 33 P 0.67212095566527 0.75337313002565 0.49691110187343 30.974 > 1 34 P 0.67212095566527 0.75337313002565 0.99691110187343 30.974 > 1 35 P 0.82787904433473 0.74662686997435 0.49691110187343 30.974 > 3 36 P 0.82787904433473 0.74662686997435 0.99691110187343 30.974 > 3 37 P 0.57787904433473 0.50337313002565 0.37191110187343 30.974 > 5 38 P 0.57787904433473 0.50337313002565 0.87191110187343 30.974 > 5 39 P 0.92212095566527 0.99662686997435 0.37191110187343 30.974 > 7 40 P 0.92212095566527 0.99662686997435 0.87191110187343 30.974 > 7 41 P 0.90323414045456 0.67154885000973 0.38565816027721 30.974 > 9 42 P 0.90323414045456 0.67154885000973 0.88565816027721 30.974 > 9 43 P 0.59676585954544 0.82845114999027 0.38565816027721 30.974 > 11 44 P 0.59676585954544 0.82845114999027 0.88565816027721 30.974 > 11 45 P 0.65323414045456 0.57845114999027 0.26065816027721 30.974 > 13 46 P 0.65323414045456 0.57845114999027 0.76065816027721 30.974 > 13 47 P 0.84676585954544 0.92154885000973 0.26065816027721 30.974 > 15 48 P 0.84676585954544 0.92154885000973 0.76065816027721 30.974 > 15 49 P 0.67212095566527 0.25337313002565 0.24691110187343 30.974 > 1 50 P 0.67212095566527 0.25337313002565 0.74691110187343 30.974 > 1 51 P 0.82787904433473 0.24662686997435 0.24691110187343 30.974 > 3 52 P 0.82787904433473 0.24662686997435 0.74691110187343 30.974 > 3 53 P 0.57787904433473 0.00337313002565 0.12191110187343 30.974 > 5 54 P 0.57787904433473 0.00337313002565 0.62191110187343 30.974 > 5 55 P 0.92212095566527 0.49662686997435 0.12191110187343 30.974 > 7 56 P 0.92212095566527 0.49662686997435 0.62191110187343 30.974 > 7 57 P 0.90323414045456 0.17154885000973 0.13565816027721 30.974 > 9 58 P 0.90323414045456 0.17154885000973 0.63565816027721 30.974 > 9 59 P 0.59676585954544 0.32845114999026 0.13565816027721 30.974 > 11 60 P 0.59676585954544 0.32845114999026 0.63565816027721 30.974 > 11 61 P 0.65323414045456 0.07845114999027 0.01065816027721 30.974 > 13 62 P 0.65323414045456 0.07845114999027 0.51065816027721 30.974 > 13 63 P 0.84676585954544 0.42154885000974 0.01065816027721 30.974 > 15 64 P 0.84676585954544 0.42154885000974 0.51065816027721 30.974 > 15 65 Ba 0.00574926179865 0.83031078468767 0.37886550483839 137.327 > 65 66 Ba 0.00574926179865 0.83031078468767 0.87886550483839 137.327 > 65 67 Ba 0.49425073820135 0.66968921531233 0.37886550483839 137.327 > 67 68 Ba 0.49425073820135 0.66968921531233 0.87886550483839 137.327 > 67 69 Ba 0.24425073820135 0.58031078468767 0.25386550483839 137.327 > 69 70 Ba 0.24425073820135 0.58031078468767 0.75386550483839 137.327 > 69 71 Ba 0.25574926179865 0.91968921531233 0.25386550483839 137.327 > 71 72 Ba 0.25574926179865 0.91968921531233 0.75386550483839 137.327 > 71 73 Ba 0.25000000000000 0.75000000000000 0.00081045602196 137.327 > 73 74 Ba 0.25000000000000 0.75000000000000 0.50081045602196 137.327 > 73 75 Ba 0.00000000000000 0.00000000000000 0.12581045602196 137.327 > 75 76 Ba 0.00000000000000 0.00000000000000 0.62581045602196 137.327 > 75 77 Ba 0.00574926179865 0.33031078468767 0.12886550483839 137.327 > 65 78 Ba 0.00574926179865 0.33031078468767 0.62886550483839 137.327 > 65 79 Ba 0.49425073820135 0.16968921531233 0.12886550483839 137.327 > 67 80 Ba 0.49425073820135 0.16968921531233 0.62886550483839 137.327 > 67 81 Ba 0.24425073820135 0.08031078468767 0.00386550483839 137.327 > 69 82 Ba 0.24425073820135 0.08031078468767 0.50386550483839 137.327 > 69 83 Ba 0.25574926179865 0.41968921531233 0.00386550483839 137.327 > 71 84 Ba 0.25574926179865 0.41968921531233 0.50386550483839 137.327 > 71 85 Ba 0.25000000000000 0.25000000000000 0.25081045602196 137.327 > 73 86 Ba 0.25000000000000 0.25000000000000 0.75081045602196 137.327 > 73 87 Ba 0.00000000000000 0.50000000000000 0.37581045602196 137.327 > 75 88 Ba 0.00000000000000 0.50000000000000 0.87581045602196 137.327 > 75 89 Ba 0.50574926179865 0.83031078468767 0.12886550483839 137.327 > 65 90 Ba 0.50574926179865 0.83031078468767 0.62886550483839 137.327 > 65 91 Ba 0.99425073820135 0.66968921531233 0.12886550483839 137.327 > 67 92 Ba 0.99425073820135 0.66968921531233 0.62886550483839 137.327 > 67 93 Ba 0.74425073820135 0.58031078468767 0.00386550483839 137.327 > 69 94 Ba 0.74425073820135 0.58031078468767 0.50386550483839 137.327 > 69 95 Ba 0.75574926179865 0.91968921531233 0.00386550483839 137.327 > 71 96 Ba 0.75574926179865 0.91968921531233 0.50386550483839 137.327 > 71 97 Ba 0.75000000000000 0.75000000000000 0.25081045602196 137.327 > 73 98 Ba 0.75000000000000 0.75000000000000 0.75081045602196 137.327 > 73 99 Ba 0.50000000000000 0.00000000000000 0.37581045602196 137.327 > 75 100 Ba 0.50000000000000 0.00000000000000 0.87581045602196 137.327 > 75 101 Ba 0.50574926179865 0.33031078468767 0.37886550483839 137.327 > 65 102 Ba 0.50574926179865 0.33031078468767 0.87886550483839 137.327 > 65 103 Ba 0.99425073820135 0.16968921531233 0.37886550483839 137.327 > 67 104 Ba 0.99425073820135 0.16968921531233 0.87886550483839 137.327 > 67 105 Ba 0.74425073820135 0.08031078468767 0.25386550483839 137.327 > 69 106 Ba 0.74425073820135 0.08031078468767 0.75386550483839 137.327 > 69 107 Ba 0.75574926179865 0.41968921531233 0.25386550483839 137.327 > 71 108 Ba 0.75574926179865 0.41968921531233 0.75386550483839 137.327 > 71 109 Ba 0.75000000000000 0.25000000000000 0.00081045602196 137.327 > 73 110 Ba 0.75000000000000 0.25000000000000 0.50081045602196 137.327 > 73 111 Ba 0.50000000000000 0.50000000000000 0.12581045602196 137.327 > 75 112 Ba 0.50000000000000 0.50000000000000 0.62581045602196 137.327 > 75 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 11.9167796 0.0000000 0.0000000 0.0000000 11.2964137 0.0000000 0.0000000 0.0000000 9.3162235 -------------------------- Born effective charges -------------------------- 1 P -0.5266962 -0.9751923 0.5885206 -0.4633216 -1.1601164 -0.7169744 0.3621682 -0.3857633 -1.4821007 2 P -0.5266962 -0.9751923 -0.5885206 -0.4633216 -1.1601164 0.7169744 -0.3621682 0.3857633 -1.4821007 3 P -0.5266962 0.9751923 -0.5885206 0.4633216 -1.1601164 -0.7169744 -0.3621682 -0.3857633 -1.4821007 4 P -0.5266962 0.9751923 0.5885206 0.4633216 -1.1601164 0.7169744 0.3621682 0.3857633 -1.4821007 5 P -2.9516051 0.7790882 0.7742551 0.4553088 -3.0395848 -0.5439931 0.1599136 0.1272203 -2.3727095 6 P -2.9516051 0.7790882 -0.7742551 0.4553088 -3.0395848 0.5439931 -0.1599136 -0.1272203 -2.3727095 7 P -2.9516051 -0.7790882 0.7742551 -0.4553088 -3.0395848 0.5439931 0.1599136 -0.1272203 -2.3727095 8 P -2.9516051 -0.7790882 -0.7742551 -0.4553088 -3.0395848 -0.5439931 -0.1599136 0.1272203 -2.3727095 9 Ba 2.5480528 0.1984295 -0.4449871 -0.3043568 2.8865956 -0.3805348 -0.2404812 -0.3638011 2.2997810 10 Ba 2.5480528 0.1984295 0.4449871 -0.3043568 2.8865956 0.3805348 0.2404812 0.3638011 2.2997810 11 Ba 2.5480528 -0.1984295 0.4449871 0.3043568 2.8865956 -0.3805348 0.2404812 -0.3638011 2.2997810 12 Ba 2.5480528 -0.1984295 -0.4449871 0.3043568 2.8865956 0.3805348 -0.2404812 0.3638011 2.2997810 13 Ba 1.8604969 1.1502587 0.0000000 0.4101879 2.6262112 0.0000000 0.0000000 0.0000000 3.1100585 14 Ba 1.8604969 -1.1502587 0.0000000 -0.4101879 2.6262112 0.0000000 0.0000000 0.0000000 3.1100585 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (zzz) -0.00000003 (zzz) -0.00000003 (zzz) Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) --------------------------- 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 ... [ 9 9 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 305, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 125 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 1.649 ( 0.000 0.000 -0.000) 0.000 1.653 ( 0.000 0.000 0.000) 0.000 1.719 ( 0.000 0.000 0.000) 0.000 2.004 ( 0.000 0.000 0.000) 0.000 2.170 ( -0.000 0.000 0.000) 0.000 2.325 ( -0.000 0.000 -0.000) 0.000 2.438 ( 0.000 0.000 0.000) 0.000 2.499 ( 0.000 0.000 0.000) 0.000 2.631 ( 0.000 0.000 0.000) 0.000 2.631 ( 0.000 0.000 0.000) 0.000 2.729 ( 0.000 0.000 0.000) 0.000 2.790 ( 0.000 0.000 -0.000) 0.000 2.861 ( -0.000 0.000 0.000) 0.000 3.353 ( 0.000 0.000 0.000) 0.000 3.400 ( 0.000 0.000 -0.000) 0.000 3.712 ( 0.000 0.000 -0.000) 0.000 4.198 ( 0.000 0.000 -0.000) 0.000 4.744 ( -0.000 0.000 -0.000) 0.000 4.796 ( 0.000 0.000 0.000) 0.000 4.829 ( 0.000 0.000 0.000) 0.000 4.923 ( 0.000 0.000 0.000) 0.000 5.084 ( 0.000 0.000 -0.000) 0.000 5.231 ( 0.000 0.000 0.000) 0.000 5.383 ( 0.000 0.000 0.000) 0.000 5.546 ( 0.000 0.000 -0.000) 0.000 5.694 ( 0.000 0.000 0.000) 0.000 5.733 ( -0.000 0.000 0.000) 0.000 5.834 ( 0.000 0.000 0.000) 0.000 5.928 ( -0.000 0.000 0.000) 0.000 6.297 ( 0.000 0.000 0.000) 0.000 6.315 ( -0.000 0.000 0.000) 0.000 6.782 ( 0.000 0.000 0.000) 0.000 6.975 ( 0.000 0.000 0.000) 0.000 9.321 ( 0.000 0.000 -0.000) 0.000 9.397 ( -0.000 0.000 0.000) 0.000 11.574 ( -0.000 0.000 -0.000) 0.000 11.746 ( 0.000 0.000 0.000) 0.000 11.790 ( -0.000 0.000 0.000) 0.000 11.870 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( -9.626 2.007 18.237) 20.719 0.464 ( -13.086 7.709 16.631) 22.522 0.821 ( -9.830 10.934 35.794) 38.697 1.603 ( -1.323 -3.754 -4.732) 6.183 1.688 ( 2.510 3.782 0.668) 4.588 1.747 ( -5.102 1.644 1.228) 5.499 2.020 ( 1.288 -5.340 3.326) 6.422 2.163 ( 0.848 -1.099 0.252) 1.411 2.345 ( 5.771 1.470 4.585) 7.516 2.422 ( 1.841 3.028 -1.861) 4.003 2.513 ( -3.932 -0.594 -0.517) 4.010 2.610 ( 5.296 0.196 0.810) 5.361 2.663 ( -0.908 -0.857 2.974) 3.226 2.707 ( -1.427 0.585 -3.031) 3.400 2.871 ( -4.476 0.535 4.849) 6.621 2.948 ( 0.176 -2.422 4.284) 4.925 3.312 ( 3.660 -0.502 -2.738) 4.599 3.399 ( -0.845 -3.998 1.164) 4.249 3.755 ( -1.686 5.771 0.116) 6.013 4.199 ( -4.222 -0.357 -3.553) 5.529 4.775 ( 2.871 -2.223 -0.827) 3.724 4.814 ( -2.035 -2.990 -0.517) 3.654 4.917 ( 4.356 3.829 1.241) 5.932 5.031 ( 4.876 2.862 1.562) 5.865 5.143 ( -6.136 -0.001 -1.330) 6.278 5.367 ( -0.330 -1.114 -0.900) 1.470 5.510 ( 3.532 -2.711 -0.706) 4.508 5.585 ( -0.734 -7.278 0.317) 7.322 5.712 ( 2.933 1.727 -1.134) 3.588 5.766 ( -1.878 7.606 -2.296) 8.164 5.832 ( -0.466 1.915 -1.879) 2.723 6.185 ( 5.429 0.518 1.135) 5.570 6.311 ( -0.067 -0.156 1.440) 1.450 6.444 ( 11.591 -1.446 4.004) 12.348 6.821 ( -6.216 -0.480 -1.121) 6.335 6.975 ( -0.082 -0.024 -0.014) 0.087 9.321 ( 0.243 0.172 0.125) 0.323 9.401 ( 0.940 -0.501 -0.109) 1.070 11.597 ( -0.048 4.069 -0.312) 4.081 11.745 ( -0.393 -0.019 -0.174) 0.430 11.814 ( -4.536 -0.151 -2.348) 5.110 11.907 ( -2.529 -1.345 -0.677) 2.944 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -7.199 0.698 16.366) 17.893 0.877 ( -10.950 6.494 13.938) 18.877 1.465 ( -0.820 -0.832 1.454) 1.865 1.540 ( -6.256 3.505 17.014) 18.464 1.683 ( -0.754 4.925 0.616) 5.020 1.863 ( -2.545 2.027 5.207) 6.140 2.029 ( 0.920 -6.835 3.674) 7.814 2.166 ( 0.630 -0.453 1.115) 1.358 2.354 ( 4.013 0.711 -1.926) 4.508 2.447 ( 1.984 1.260 5.675) 6.143 2.514 ( -0.216 -0.349 -1.226) 1.293 2.602 ( 2.609 0.542 1.587) 3.101 2.645 ( -1.046 -0.511 -1.955) 2.276 2.756 ( 1.296 0.768 4.505) 4.751 2.958 ( 0.898 -0.681 3.652) 3.822 3.077 ( -5.826 0.016 7.661) 9.625 3.211 ( 4.174 -1.243 -4.091) 5.975 3.427 ( -1.123 -5.456 5.096) 7.550 3.820 ( -3.402 3.136 1.619) 4.902 4.148 ( -1.586 -0.252 -4.310) 4.599 4.688 ( 2.083 -2.019 -4.582) 5.423 4.807 ( -0.481 -4.975 0.785) 5.059 4.932 ( 2.752 4.495 0.530) 5.297 5.044 ( 1.789 3.087 0.539) 3.608 5.175 ( -3.550 -0.420 0.857) 3.676 5.340 ( -0.029 -0.374 -1.685) 1.726 5.445 ( 2.829 -2.504 -2.072) 4.309 5.518 ( 0.633 -1.282 -4.376) 4.603 5.682 ( 2.741 1.763 -0.781) 3.351 5.786 ( -2.309 2.113 -1.094) 3.316 5.813 ( -0.202 2.839 -1.615) 3.272 6.154 ( 4.007 -1.280 -0.501) 4.236 6.341 ( 0.534 -0.620 2.034) 2.192 6.420 ( 3.591 0.540 0.283) 3.643 6.851 ( -4.545 0.194 -0.075) 4.550 6.976 ( -0.090 -0.094 0.009) 0.131 9.323 ( 0.384 0.267 0.186) 0.503 9.384 ( 0.932 -0.416 -0.599) 1.183 11.624 ( -1.167 2.379 0.451) 2.688 11.745 ( -0.626 -0.051 -0.256) 0.679 11.801 ( -0.820 -0.066 -1.241) 1.489 11.906 ( -1.404 -0.976 -0.282) 1.733 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -4.277 -1.833 11.597) 12.496 1.196 ( -7.785 5.256 8.329) 12.554 1.379 ( -0.457 -3.574 -1.386) 3.860 1.616 ( 1.072 2.726 -2.089) 3.598 1.951 ( -1.088 -3.457 3.571) 5.088 1.974 ( -2.038 2.461 8.826) 9.386 2.112 ( -1.270 4.803 4.705) 6.842 2.166 ( 0.088 -0.847 -1.080) 1.375 2.326 ( -0.509 1.336 2.689) 3.046 2.447 ( 0.785 -2.533 -3.649) 4.510 2.539 ( 2.850 -1.891 5.383) 6.377 2.620 ( -0.510 0.351 0.830) 1.035 2.670 ( 0.071 3.128 2.736) 4.156 2.796 ( 3.073 1.567 1.147) 3.635 3.001 ( 2.341 -1.003 2.539) 3.596 3.108 ( 1.615 -1.790 -3.001) 3.849 3.280 ( -5.654 0.030 9.636) 11.172 3.539 ( -0.817 -4.105 8.874) 9.812 3.893 ( -3.223 1.043 1.979) 3.923 4.072 ( -0.562 -0.171 -4.449) 4.488 4.572 ( 1.159 -1.071 -5.385) 5.612 4.776 ( 1.131 -4.999 -0.581) 5.158 4.953 ( 1.055 3.498 0.677) 3.716 5.056 ( 0.980 2.801 -0.152) 2.971 5.214 ( -2.611 -0.933 1.098) 2.982 5.302 ( 0.728 -1.191 -1.767) 2.252 5.359 ( 2.495 -1.232 -3.579) 4.533 5.432 ( -0.277 0.572 -3.933) 3.984 5.668 ( 1.891 1.900 -0.102) 2.683 5.773 ( 1.269 1.360 -1.106) 2.164 5.831 ( -3.330 2.241 -0.293) 4.024 6.093 ( 3.469 -1.987 -1.788) 4.379 6.359 ( 1.271 -1.031 1.237) 2.051 6.415 ( 0.555 1.403 0.169) 1.518 6.886 ( -3.335 0.417 0.406) 3.385 6.974 ( 0.145 -0.258 -0.130) 0.323 9.326 ( 0.352 0.252 0.213) 0.482 9.363 ( 0.757 -0.343 -0.727) 1.104 11.656 ( -1.375 1.605 0.586) 2.193 11.745 ( -0.679 -0.167 -0.191) 0.725 11.782 ( 0.565 -0.057 -0.829) 1.004 11.906 ( -0.888 -0.630 -0.087) 1.092 ======================= Grid point 4 (5/125) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -0.489 -1.471 0.903) 1.794 1.303 ( -3.284 -0.380 1.743) 3.737 1.462 ( -0.550 1.009 5.441) 5.561 1.598 ( 0.453 2.169 -0.809) 2.359 1.958 ( -0.113 -1.957 -0.019) 1.960 2.087 ( -0.125 1.284 0.398) 1.350 2.127 ( -3.166 -1.958 0.226) 3.730 2.182 ( 1.834 1.511 2.311) 3.314 2.343 ( 2.604 -1.575 -2.995) 4.270 2.428 ( -2.044 2.101 1.409) 3.253 2.590 ( 1.226 -0.356 2.400) 2.719 2.650 ( -0.849 0.268 1.302) 1.577 2.723 ( 0.815 1.468 0.943) 1.926 2.807 ( 0.323 1.535 1.042) 1.883 2.972 ( 1.260 -1.997 -1.720) 2.921 3.083 ( 0.314 -0.355 0.600) 0.765 3.474 ( -2.751 0.211 6.198) 6.784 3.652 ( 0.088 -1.567 4.053) 4.346 3.939 ( -0.958 -0.597 0.769) 1.366 4.018 ( -0.599 0.421 -1.588) 1.749 4.485 ( 0.301 0.100 -2.708) 2.727 4.721 ( 0.962 -2.356 -1.157) 2.796 4.976 ( 0.164 1.423 0.371) 1.479 5.058 ( 0.441 1.234 -0.320) 1.348 5.233 ( 0.532 -0.629 0.185) 0.844 5.256 ( -1.142 -1.820 -1.136) 2.431 5.299 ( 1.090 0.915 -1.300) 1.927 5.391 ( -0.365 0.265 -1.345) 1.419 5.668 ( 0.613 0.783 0.028) 0.995 5.759 ( 0.660 0.607 -0.323) 0.953 5.865 ( -1.856 1.189 0.327) 2.228 6.029 ( 1.850 -1.229 -1.299) 2.573 6.360 ( 0.541 -0.374 0.347) 0.744 6.424 ( 0.061 0.567 0.173) 0.596 6.916 ( -1.527 0.324 0.402) 1.612 6.966 ( 0.378 -0.264 -0.241) 0.521 9.329 ( 0.126 0.151 0.218) 0.294 9.346 ( 0.312 -0.186 -0.453) 0.581 11.680 ( -0.687 0.662 0.285) 0.996 11.747 ( -0.549 -0.231 0.013) 0.596 11.765 ( 0.742 0.043 -0.421) 0.854 11.908 ( -0.320 -0.213 -0.008) 0.384 ======================= Grid point 10 (6/125) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 0.000 -0.000 18.634) 18.634 0.766 ( 0.000 -0.000 19.398) 19.398 1.414 ( 0.000 -0.000 32.707) 32.707 1.501 ( -0.000 0.000 -6.498) 6.498 1.657 ( -0.000 0.000 -2.202) 2.202 1.821 ( 0.000 -0.000 6.196) 6.196 2.094 ( 0.000 -0.000 1.464) 1.464 2.185 ( 0.000 -0.000 1.077) 1.077 2.373 ( -0.000 0.000 -2.946) 2.946 2.432 ( 0.000 -0.000 3.060) 3.060 2.521 ( 0.000 -0.000 2.835) 2.835 2.618 ( -0.000 0.000 -4.513) 4.513 2.652 ( 0.000 -0.000 1.204) 1.204 2.764 ( 0.000 -0.000 6.698) 6.698 2.955 ( 0.000 -0.000 5.846) 5.846 3.040 ( 0.000 -0.000 6.283) 6.283 3.251 ( -0.000 0.000 -5.641) 5.641 3.458 ( 0.000 -0.000 4.770) 4.770 3.765 ( 0.000 -0.000 2.736) 2.736 4.130 ( -0.000 0.000 -3.518) 3.518 4.718 ( -0.000 0.000 -5.856) 5.856 4.842 ( 0.000 -0.000 2.360) 2.360 4.933 ( 0.000 -0.000 0.576) 0.576 5.047 ( -0.000 0.000 -1.182) 1.182 5.133 ( 0.000 -0.000 2.117) 2.117 5.341 ( -0.000 0.000 -1.591) 1.591 5.477 ( -0.000 0.000 -3.377) 3.377 5.564 ( -0.000 0.000 -5.431) 5.431 5.708 ( -0.000 0.000 -0.904) 0.904 5.713 ( 0.000 -0.000 0.477) 0.477 5.802 ( -0.000 0.000 -1.360) 1.360 6.195 ( -0.000 0.000 -1.127) 1.127 6.346 ( 0.000 -0.000 2.242) 2.242 6.473 ( -0.000 0.000 -3.019) 3.019 6.797 ( 0.000 -0.000 0.889) 0.889 6.975 ( 0.000 -0.000 0.033) 0.033 9.325 ( 0.000 -0.000 0.184) 0.184 9.395 ( -0.000 0.000 -0.873) 0.873 11.594 ( 0.000 -0.000 1.058) 1.058 11.740 ( -0.000 0.000 -0.218) 0.218 11.790 ( 0.000 -0.000 0.001) 0.001 11.900 ( -0.000 0.000 -0.063) 0.063 ======================= Grid point 11 (7/125) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -3.594 2.745 13.015) 13.778 1.088 ( -2.168 -0.652 14.611) 14.786 1.400 ( -0.720 -1.343 -2.953) 3.323 1.621 ( 0.769 -0.148 -1.006) 1.275 1.906 ( -0.858 3.013 17.269) 17.551 1.934 ( -1.109 1.707 5.738) 6.089 2.073 ( -1.577 -1.998 -2.270) 3.411 2.193 ( 1.417 -0.532 0.391) 1.563 2.319 ( 0.874 1.141 -2.592) 2.963 2.461 ( -0.256 -0.261 -0.756) 0.840 2.552 ( -2.684 0.630 -3.136) 4.176 2.603 ( 1.233 -0.431 6.404) 6.535 2.682 ( 1.675 0.320 3.163) 3.593 2.851 ( 2.982 -0.808 3.248) 4.483 3.039 ( 1.143 -0.192 3.503) 3.690 3.127 ( -0.318 -0.450 -7.116) 7.137 3.207 ( -3.053 0.092 10.653) 11.082 3.578 ( 0.159 -2.187 8.747) 9.018 3.833 ( -2.034 1.078 3.198) 3.940 4.060 ( -0.430 0.306 -4.417) 4.448 4.594 ( 0.463 -0.362 -7.021) 7.046 4.870 ( 0.325 -5.873 1.998) 6.212 4.940 ( 2.234 2.142 0.601) 3.153 5.025 ( 0.178 3.412 -1.759) 3.843 5.179 ( -2.141 -0.248 1.848) 2.839 5.317 ( 0.314 -0.209 -0.958) 1.030 5.411 ( 0.365 -0.639 -3.373) 3.452 5.442 ( 1.784 -0.833 -6.002) 6.317 5.684 ( 2.833 0.945 -0.072) 2.987 5.740 ( -3.824 0.627 -0.213) 3.881 5.782 ( 0.363 1.363 -1.020) 1.741 6.150 ( 1.657 -0.552 -2.855) 3.346 6.385 ( 0.272 -0.296 2.045) 2.084 6.419 ( 1.249 -0.062 -1.568) 2.006 6.830 ( -2.392 0.526 1.223) 2.738 6.976 ( 0.023 0.065 -0.020) 0.072 9.328 ( 0.161 0.085 0.181) 0.256 9.375 ( 0.327 -0.157 -1.113) 1.171 11.622 ( -0.677 0.903 1.233) 1.672 11.738 ( -0.272 0.003 -0.094) 0.288 11.789 ( 0.278 0.099 -0.157) 0.334 11.901 ( -0.628 -0.435 -0.024) 0.764 ======================= Grid point 12 (8/125) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -3.036 2.829 -1.794) 4.521 1.287 ( -1.095 -0.901 6.150) 6.311 1.468 ( -0.064 -0.472 9.319) 9.331 1.616 ( 1.517 -1.659 2.045) 3.039 1.961 ( -1.836 -2.400 -3.590) 4.692 2.058 ( -2.543 -0.152 3.656) 4.456 2.113 ( 2.367 3.948 -0.006) 4.603 2.183 ( 0.699 1.497 0.552) 1.742 2.324 ( -3.140 3.294 0.812) 4.623 2.405 ( 1.312 -2.428 -3.407) 4.385 2.551 ( -3.587 3.034 -1.772) 5.021 2.693 ( 2.425 -2.913 5.811) 6.938 2.746 ( 2.377 0.217 3.842) 4.523 2.831 ( 3.990 -0.497 -0.061) 4.022 3.003 ( -1.965 -2.618 -5.196) 6.141 3.079 ( 0.069 0.872 0.015) 0.875 3.428 ( -2.742 0.201 9.291) 9.690 3.689 ( 1.642 -1.713 3.986) 4.639 3.914 ( -2.522 0.355 2.839) 3.814 3.993 ( -0.487 1.236 -3.243) 3.505 4.484 ( 0.362 0.557 -3.844) 3.901 4.815 ( 3.036 -6.596 -1.501) 7.414 4.960 ( 0.244 1.291 1.174) 1.762 5.027 ( -0.538 3.776 -0.798) 3.897 5.224 ( -2.226 -1.014 1.514) 2.876 5.292 ( 1.359 -1.184 -0.967) 2.045 5.322 ( 2.902 -0.188 -2.861) 4.080 5.375 ( -0.959 0.535 -1.486) 1.848 5.674 ( 1.794 0.692 0.187) 1.931 5.751 ( -1.523 -0.477 -0.772) 1.773 5.801 ( -2.403 2.934 0.896) 3.897 6.073 ( 2.045 -0.522 -3.346) 3.956 6.386 ( 1.167 -0.952 -0.266) 1.529 6.418 ( -0.133 0.118 0.939) 0.956 6.877 ( -2.226 0.745 1.453) 2.760 6.972 ( 0.230 0.094 -0.374) 0.449 9.330 ( 0.143 0.061 0.176) 0.235 9.352 ( 0.202 -0.142 -1.022) 1.051 11.656 ( -0.845 0.896 1.135) 1.675 11.742 ( -0.364 -0.061 0.210) 0.425 11.780 ( 1.155 0.156 -0.220) 1.186 11.903 ( -0.780 -0.517 0.053) 0.937 ======================= Grid point 13 (9/125) ======================= q-point: (-0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -2.280 4.520 -2.660) 5.719 1.333 ( 1.956 1.863 -0.043) 2.702 1.546 ( 3.801 -5.250 -0.103) 6.482 1.650 ( 1.068 -4.189 4.559) 6.283 1.909 ( -3.061 1.104 -2.967) 4.404 2.087 ( 0.621 1.222 -0.358) 1.417 2.118 ( -0.914 0.548 0.640) 1.244 2.210 ( 1.917 1.196 0.205) 2.269 2.312 ( 0.770 -0.422 -2.241) 2.407 2.379 ( -3.199 4.775 -1.422) 5.921 2.556 ( -3.267 1.475 -2.372) 4.298 2.704 ( 2.122 -1.959 -1.862) 3.436 2.756 ( 1.896 -3.451 1.870) 4.359 2.838 ( 0.855 -1.644 0.790) 2.015 2.936 ( -2.232 -0.758 -1.455) 2.770 3.064 ( -0.602 1.148 -2.403) 2.730 3.509 ( 0.974 -0.626 -2.258) 2.537 3.656 ( 2.467 0.718 -4.847) 5.485 3.937 ( 0.266 0.803 -0.554) 1.011 4.003 ( -1.540 1.614 1.578) 2.733 4.476 ( 0.141 0.929 2.219) 2.410 4.740 ( 2.227 -3.087 -0.159) 3.810 4.983 ( -0.940 -0.975 0.731) 1.539 5.045 ( -0.962 1.455 0.246) 1.761 5.231 ( 0.255 -1.342 -0.396) 1.423 5.271 ( 0.938 -0.900 0.970) 1.622 5.300 ( 1.283 1.219 1.128) 2.099 5.388 ( -0.655 0.548 1.605) 1.818 5.670 ( 0.228 -0.236 0.014) 0.328 5.748 ( -2.022 -1.122 -0.394) 2.345 5.862 ( -1.959 1.882 1.749) 3.231 6.009 ( 1.165 0.736 -1.935) 2.376 6.366 ( 0.621 -0.889 -0.568) 1.224 6.430 ( -0.265 -0.739 0.290) 0.837 6.918 ( -0.839 0.625 1.148) 1.553 6.961 ( 0.333 0.387 -0.570) 0.765 9.330 ( -0.005 -0.203 -0.252) 0.323 9.339 ( -0.300 0.149 -0.187) 0.384 11.683 ( -0.380 0.404 0.817) 0.988 11.750 ( -0.133 -0.202 0.532) 0.584 11.769 ( 1.353 0.307 -0.000) 1.387 11.907 ( -0.502 -0.338 0.076) 0.610 ======================= Grid point 14 (10/125) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 2.438 3.519 -5.529) 6.993 1.322 ( 2.282 3.331 0.111) 4.039 1.403 ( 6.092 -6.071 -5.556) 10.239 1.671 ( 0.883 -6.052 2.653) 6.666 1.884 ( -0.384 5.527 -4.208) 6.957 2.059 ( 2.229 -3.069 -4.030) 5.534 2.122 ( -1.527 -1.155 -3.278) 3.796 2.173 ( 2.445 3.083 2.852) 4.860 2.339 ( -2.555 0.657 -2.770) 3.825 2.383 ( -1.684 4.034 0.220) 4.377 2.511 ( -1.184 -2.561 -5.842) 6.487 2.613 ( -0.297 -1.550 -4.193) 4.481 2.717 ( -0.347 -2.201 -2.025) 3.011 2.813 ( 0.314 -3.493 -1.311) 3.744 2.959 ( -1.703 0.319 0.194) 1.743 3.041 ( -2.712 2.845 -1.573) 4.234 3.361 ( 4.415 -0.560 -8.718) 9.789 3.518 ( 2.923 3.274 -8.712) 9.755 3.933 ( 1.421 0.552 -0.058) 1.526 4.062 ( -0.487 1.723 3.125) 3.601 4.544 ( -0.247 1.101 4.044) 4.198 4.741 ( 0.789 0.340 1.671) 1.879 4.983 ( -0.996 -3.170 -0.140) 3.325 5.061 ( -1.263 -0.721 0.207) 1.469 5.226 ( 0.284 -0.141 0.002) 0.318 5.283 ( 1.154 1.178 1.613) 2.307 5.339 ( -0.188 -0.181 2.799) 2.811 5.443 ( 0.272 0.249 3.891) 3.908 5.666 ( -1.147 -1.356 -0.246) 1.793 5.757 ( -3.209 -1.819 0.367) 3.707 5.894 ( 1.705 -0.817 1.305) 2.298 6.013 ( -2.270 2.958 0.512) 3.763 6.345 ( 0.024 -0.490 -1.038) 1.148 6.424 ( -0.741 -1.515 -0.497) 1.758 6.926 ( 1.711 0.250 -0.106) 1.732 6.963 ( -0.332 0.968 0.179) 1.039 9.324 ( -0.349 -0.322 -0.297) 0.560 9.346 ( -0.773 0.314 0.276) 0.879 11.691 ( 0.856 -0.777 0.268) 1.187 11.753 ( 0.903 0.332 0.236) 0.990 11.776 ( 0.068 0.186 1.154) 1.171 11.909 ( 0.039 0.078 0.077) 0.117 ======================= Grid point 15 (11/125) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 8.491 -1.549 -10.374) 13.495 1.142 ( 11.167 -7.436 -8.980) 16.144 1.413 ( -0.274 5.412 4.123) 6.809 1.668 ( 1.954 -3.817 -0.841) 4.369 1.808 ( 4.460 0.637 -8.410) 9.540 1.886 ( 3.543 -1.782 -5.983) 7.178 2.019 ( 1.890 -2.671 -8.368) 8.985 2.175 ( 2.118 -1.525 -2.462) 3.588 2.287 ( -4.791 0.225 0.259) 4.803 2.378 ( -4.668 1.538 -7.267) 8.772 2.484 ( -1.842 3.744 3.383) 5.372 2.568 ( -2.682 -1.276 -2.435) 3.840 2.680 ( 1.585 -0.782 -0.466) 1.828 2.752 ( -1.181 -1.988 -3.167) 3.922 2.937 ( -0.403 -0.374 -2.736) 2.790 3.094 ( -5.435 4.264 -0.198) 6.911 3.186 ( 5.368 -1.143 -5.029) 7.444 3.383 ( 2.543 5.035 -5.653) 7.985 3.909 ( 3.299 -1.964 -0.205) 3.845 4.142 ( -0.598 2.341 3.516) 4.266 4.631 ( -1.391 1.705 3.812) 4.401 4.771 ( 0.371 1.766 1.080) 2.103 4.961 ( -1.345 -4.621 -0.404) 4.830 5.060 ( -1.061 -2.290 -0.278) 2.539 5.209 ( 2.081 0.564 -0.810) 2.303 5.324 ( -0.700 1.298 1.724) 2.269 5.387 ( -0.877 0.683 1.532) 1.892 5.520 ( 0.673 -0.089 4.726) 4.775 5.666 ( -2.445 -1.990 -0.031) 3.153 5.786 ( -3.412 -1.708 1.047) 3.957 5.891 ( 3.105 -2.438 1.817) 4.346 6.068 ( -3.586 2.404 0.646) 4.365 6.323 ( -0.325 0.237 -1.395) 1.452 6.405 ( -1.452 -1.835 -1.489) 2.774 6.907 ( 2.947 0.446 -0.125) 2.983 6.971 ( 0.090 0.921 -0.047) 0.926 9.321 ( -0.514 -0.447 -0.185) 0.706 9.362 ( -1.181 0.474 0.298) 1.307 11.673 ( 1.589 -1.937 -0.084) 2.507 11.755 ( 0.872 0.417 0.329) 1.021 11.804 ( 0.210 0.382 1.817) 1.869 11.912 ( 0.693 0.822 0.255) 1.105 ======================= Grid point 16 (12/125) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 13.613 -4.634 -9.936) 17.479 0.798 ( 13.808 -10.378 -12.521) 21.334 1.271 ( 20.666 -16.210 -16.729) 31.140 1.543 ( -0.176 5.498 4.084) 6.851 1.712 ( -1.580 -3.131 -2.740) 4.450 1.829 ( 4.585 1.986 0.004) 4.997 1.904 ( -0.058 6.423 -3.461) 7.296 2.123 ( -2.344 1.547 -2.829) 3.986 2.269 ( -7.775 -4.613 -4.419) 10.063 2.397 ( -5.889 -1.285 1.870) 6.311 2.542 ( -3.732 -0.220 -1.655) 4.088 2.564 ( 2.740 2.569 2.508) 4.517 2.677 ( 1.597 1.004 0.420) 1.933 2.698 ( -0.581 0.033 -1.707) 1.803 2.881 ( -0.870 0.581 -3.734) 3.878 3.021 ( 7.325 -0.212 -4.261) 8.477 3.206 ( -6.456 2.425 1.753) 7.115 3.346 ( 1.108 5.825 -1.299) 6.070 3.861 ( 3.048 -4.785 0.252) 5.678 4.217 ( -0.037 2.767 2.732) 3.888 4.713 ( -1.891 1.152 2.615) 3.426 4.790 ( -0.350 1.409 -0.074) 1.454 4.933 ( -2.232 -5.829 -0.628) 6.273 5.042 ( -0.269 -2.961 -0.296) 2.988 5.189 ( 2.055 0.956 0.370) 2.296 5.355 ( 1.142 3.315 -0.087) 3.507 5.411 ( -2.883 0.935 -0.698) 3.110 5.586 ( 1.201 -0.355 3.061) 3.307 5.680 ( -3.228 -1.406 0.309) 3.534 5.815 ( -2.209 -1.830 0.763) 2.968 5.893 ( 1.752 -3.808 2.906) 5.100 6.103 ( -4.404 -0.492 -1.215) 4.595 6.304 ( -0.163 0.699 -1.108) 1.320 6.366 ( -1.994 -1.690 -3.124) 4.073 6.885 ( 3.699 0.608 0.099) 3.750 6.973 ( 0.263 0.893 -0.219) 0.956 9.319 ( -0.542 -0.472 -0.114) 0.728 9.378 ( -1.235 0.518 0.071) 1.341 11.646 ( 0.974 -2.930 0.007) 3.088 11.755 ( 0.881 0.183 0.221) 0.927 11.840 ( 0.577 0.694 1.972) 2.169 11.923 ( 1.893 2.423 1.131) 3.276 ======================= Grid point 17 (13/125) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( 17.655 -8.500 0.000) 19.595 0.425 ( 16.516 -13.828 0.000) 21.541 0.766 ( 30.388 -22.375 0.000) 37.737 1.622 ( -0.750 2.148 -0.000) 2.276 1.670 ( 0.035 2.106 -0.000) 2.107 1.822 ( 2.435 -2.199 0.000) 3.281 1.927 ( -2.076 8.169 -0.000) 8.428 2.140 ( -3.107 2.179 -0.000) 3.795 2.253 ( -8.163 -3.950 0.000) 9.068 2.440 ( -5.381 -5.017 0.000) 7.357 2.547 ( 2.767 2.543 -0.000) 3.759 2.581 ( 0.077 1.358 -0.000) 1.360 2.643 ( 1.423 -1.179 0.000) 1.848 2.736 ( -2.516 2.534 -0.000) 3.571 2.842 ( -0.194 0.056 0.000) 0.202 2.908 ( 9.254 -0.594 -0.000) 9.273 3.291 ( -6.308 2.396 -0.000) 6.748 3.366 ( 0.728 5.538 -0.000) 5.585 3.820 ( -0.768 -7.673 0.000) 7.711 4.273 ( 1.481 5.632 -0.000) 5.823 4.752 ( 0.590 0.000 -0.000) 0.590 4.793 ( -3.589 -0.790 0.000) 3.675 4.902 ( -2.465 -6.943 0.000) 7.368 5.020 ( -0.179 -3.508 0.000) 3.513 5.212 ( -0.323 1.767 -0.000) 1.797 5.338 ( 6.582 7.167 -0.000) 9.731 5.431 ( -3.770 0.642 0.000) 3.824 5.594 ( 2.711 -0.999 0.000) 2.889 5.703 ( -3.547 -0.851 0.000) 3.647 5.820 ( -2.132 -4.195 0.000) 4.706 5.926 ( -1.134 -1.390 0.000) 1.794 6.076 ( -7.637 -10.104 0.000) 12.665 6.301 ( -0.173 0.592 -0.000) 0.617 6.317 ( -0.011 -1.413 0.000) 1.413 6.865 ( 3.879 1.509 -0.000) 4.162 6.973 ( 0.275 0.741 -0.000) 0.790 9.319 ( -0.447 -0.363 0.000) 0.576 9.388 ( -0.846 0.353 -0.000) 0.917 11.626 ( -1.174 -4.349 0.000) 4.505 11.752 ( 0.704 0.010 -0.000) 0.704 11.864 ( -0.093 0.660 -0.000) 0.667 11.952 ( 4.305 6.905 -0.000) 8.137 ======================= Grid point 20 (14/125) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -0.000 0.000 -0.895) 0.895 1.282 ( 0.000 -0.000 6.278) 6.278 1.466 ( 0.000 -0.000 10.132) 10.132 1.645 ( 0.000 -0.000 3.415) 3.415 1.980 ( -0.000 0.000 -5.734) 5.734 2.022 ( 0.000 -0.000 5.266) 5.266 2.094 ( 0.000 -0.000 3.567) 3.567 2.183 ( -0.000 0.000 -2.339) 2.339 2.285 ( -0.000 0.000 -0.628) 0.628 2.439 ( -0.000 0.000 -2.390) 2.390 2.484 ( -0.000 0.000 -1.852) 1.852 2.734 ( 0.000 -0.000 5.911) 5.911 2.762 ( 0.000 -0.000 5.240) 5.240 2.898 ( -0.000 0.000 -0.298) 0.298 2.976 ( -0.000 0.000 -8.141) 8.141 3.079 ( 0.000 -0.000 0.157) 0.157 3.402 ( 0.000 -0.000 10.675) 10.675 3.721 ( 0.000 -0.000 4.368) 4.368 3.882 ( 0.000 -0.000 3.346) 3.346 3.982 ( -0.000 0.000 -3.819) 3.819 4.483 ( -0.000 0.000 -4.216) 4.216 4.936 ( -0.000 0.000 -5.183) 5.183 4.944 ( 0.000 -0.000 2.948) 2.948 4.959 ( 0.000 -0.000 0.690) 0.690 5.210 ( 0.000 -0.000 2.246) 2.246 5.316 ( 0.000 -0.000 0.520) 0.520 5.353 ( -0.000 0.000 -4.233) 4.233 5.357 ( -0.000 0.000 -2.506) 2.506 5.709 ( -0.000 0.000 -0.536) 0.536 5.716 ( 0.000 -0.000 1.758) 1.758 5.760 ( -0.000 0.000 -0.987) 0.987 6.093 ( -0.000 0.000 -3.877) 3.877 6.402 ( -0.000 0.000 -0.825) 0.825 6.419 ( 0.000 -0.000 1.404) 1.404 6.851 ( 0.000 -0.000 2.082) 2.082 6.973 ( -0.000 0.000 -0.382) 0.382 9.331 ( 0.000 -0.000 0.149) 0.149 9.354 ( -0.000 0.000 -1.247) 1.247 11.642 ( 0.000 -0.000 1.474) 1.474 11.739 ( 0.000 -0.000 0.304) 0.304 11.789 ( -0.000 0.000 -0.047) 0.047 11.900 ( 0.000 -0.000 0.069) 0.069 ======================= Grid point 21 (15/125) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -1.165 2.023 -2.483) 3.408 1.328 ( 0.359 1.143 -0.104) 1.203 1.647 ( 2.207 -1.783 5.845) 6.498 1.675 ( -1.161 -0.539 0.402) 1.342 1.920 ( 0.803 -5.356 1.711) 5.680 2.087 ( 4.149 5.325 -1.727) 6.968 2.107 ( -2.302 -3.052 1.418) 4.077 2.159 ( -2.598 3.819 0.732) 4.677 2.282 ( -2.160 1.827 -1.917) 3.417 2.369 ( 2.067 -1.764 -3.547) 4.468 2.482 ( -2.009 2.420 -0.994) 3.299 2.730 ( 0.831 -0.086 -6.080) 6.138 2.839 ( 1.590 -2.828 -0.471) 3.279 2.858 ( 0.020 -1.010 2.455) 2.655 2.915 ( -1.414 0.133 -0.063) 1.421 3.050 ( -0.077 0.210 -3.270) 3.277 3.519 ( -0.043 -0.181 0.683) 0.708 3.696 ( 2.159 -0.345 -5.376) 5.804 3.931 ( 0.095 0.647 -1.503) 1.639 3.951 ( -1.764 1.280 2.592) 3.386 4.471 ( 0.234 0.373 2.502) 2.540 4.828 ( 2.484 -3.249 -2.681) 4.890 4.974 ( -1.449 -0.540 0.443) 1.609 5.003 ( -0.546 2.325 1.728) 2.947 5.253 ( -0.244 -1.119 2.142) 2.429 5.299 ( 0.762 -1.564 -0.188) 1.750 5.314 ( 2.782 1.388 -0.047) 3.109 5.357 ( -2.236 0.876 1.221) 2.694 5.689 ( 1.731 -0.193 -0.280) 1.764 5.736 ( -1.623 -2.226 -0.415) 2.785 5.788 ( -2.378 3.321 2.151) 4.616 6.026 ( 1.007 0.061 -2.794) 2.971 6.386 ( 0.436 -0.547 -0.630) 0.941 6.434 ( -0.085 -0.407 0.435) 0.601 6.895 ( -0.739 0.462 2.050) 2.227 6.961 ( 0.125 0.238 -0.900) 0.939 9.333 ( 0.025 -0.100 -0.291) 0.309 9.334 ( -0.129 0.059 -0.593) 0.609 11.671 ( -0.280 0.326 1.381) 1.446 11.750 ( -0.080 -0.055 0.869) 0.874 11.785 ( 0.865 0.178 -0.100) 0.889 11.903 ( -0.458 -0.286 0.123) 0.554 ======================= Grid point 22 (16/125) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -0.552 3.895 -0.459) 3.961 1.315 ( 1.036 1.967 -1.564) 2.718 1.554 ( 2.813 -4.336 -4.549) 6.885 1.725 ( 1.790 1.836 -0.709) 2.661 1.892 ( 3.177 -6.871 1.063) 7.644 2.080 ( -3.555 -5.584 -0.404) 6.632 2.121 ( 3.685 6.525 0.335) 7.501 2.207 ( 0.849 -0.020 -2.384) 2.531 2.280 ( -0.673 4.396 -3.371) 5.580 2.292 ( -1.331 2.250 0.355) 2.638 2.489 ( -2.346 0.716 -1.515) 2.882 2.629 ( -3.211 -1.006 -5.353) 6.323 2.713 ( -1.908 -1.866 -8.343) 8.760 2.877 ( 1.974 -3.759 -0.755) 4.312 2.947 ( 0.703 1.088 1.754) 2.181 2.985 ( -1.441 0.712 -3.659) 3.997 3.421 ( 1.985 -1.101 -8.511) 8.809 3.545 ( 3.883 1.266 -7.859) 8.857 3.929 ( -0.005 1.366 0.568) 1.479 4.019 ( -1.540 2.052 2.277) 3.430 4.540 ( 0.631 0.484 4.338) 4.411 4.777 ( 2.157 -1.797 0.371) 2.831 4.988 ( -2.321 -1.522 0.074) 2.776 5.042 ( -0.950 0.550 0.949) 1.451 5.255 ( 1.889 -2.210 0.942) 3.056 5.303 ( 1.613 -0.383 1.340) 2.132 5.338 ( 0.314 0.939 2.681) 2.858 5.422 ( -1.644 1.568 3.422) 4.108 5.672 ( 0.443 -0.657 -0.415) 0.894 5.732 ( -2.749 -1.800 -0.366) 3.307 5.873 ( -2.575 2.148 2.995) 4.496 5.987 ( 1.344 0.729 -0.655) 1.663 6.363 ( 0.635 -1.073 -0.923) 1.551 6.430 ( -0.534 -1.020 -0.677) 1.336 6.933 ( -0.029 0.593 0.947) 1.118 6.946 ( -0.006 0.943 -0.698) 1.173 9.321 ( -0.374 -0.073 -0.505) 0.632 9.336 ( -0.310 0.023 0.031) 0.313 11.697 ( -0.034 0.235 1.140) 1.165 11.767 ( 0.536 -0.371 0.779) 1.016 11.779 ( 0.964 0.567 0.580) 1.260 11.907 ( -0.514 -0.312 0.052) 0.603 ======================= Grid point 23 (17/125) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 5.257 -0.273 -3.187) 6.154 1.303 ( -0.177 1.424 -1.152) 1.840 1.420 ( 7.706 -3.611 -2.103) 8.766 1.688 ( 0.442 2.568 -2.664) 3.727 1.835 ( 4.381 -1.609 -1.128) 4.801 2.014 ( 4.569 -1.929 -6.053) 7.826 2.050 ( 0.659 -1.290 -6.474) 6.634 2.173 ( -5.522 -1.166 -0.556) 5.671 2.246 ( 0.235 4.644 -3.481) 5.809 2.334 ( -1.627 0.764 -5.288) 5.585 2.430 ( -0.564 -3.565 -1.662) 3.973 2.545 ( -2.184 -0.658 -1.724) 2.859 2.672 ( -2.913 0.916 -0.333) 3.072 2.780 ( 1.594 -2.529 -4.246) 5.193 2.942 ( -3.169 2.246 -3.618) 5.308 2.972 ( 0.148 1.484 -0.834) 1.708 3.258 ( 2.303 -0.973 -5.172) 5.744 3.395 ( 4.445 1.839 -5.819) 7.550 3.952 ( 1.047 0.317 1.290) 1.691 4.083 ( -1.930 3.195 1.686) 4.096 4.614 ( 0.413 0.321 4.099) 4.133 4.771 ( 0.915 -0.159 0.588) 1.099 4.988 ( -1.826 -2.980 -0.228) 3.503 5.060 ( -1.403 -0.706 0.117) 1.575 5.240 ( 2.124 -1.313 0.094) 2.499 5.317 ( 1.521 0.189 1.516) 2.156 5.385 ( -0.168 -0.528 2.041) 2.115 5.513 ( -0.917 1.709 4.107) 4.542 5.661 ( -0.900 -1.476 -0.237) 1.745 5.744 ( -3.845 -1.146 0.043) 4.013 5.940 ( 0.254 -0.539 2.298) 2.374 6.002 ( -0.820 1.988 1.861) 2.844 6.332 ( 0.661 -1.051 -1.119) 1.671 6.406 ( -1.078 -1.441 -1.786) 2.535 6.928 ( 1.104 0.979 -0.430) 1.537 6.957 ( -0.013 1.365 0.066) 1.367 9.318 ( -0.517 -0.308 -0.158) 0.622 9.341 ( -0.865 0.258 0.002) 0.903 11.710 ( 0.987 -0.600 0.652) 1.327 11.762 ( 1.136 0.413 0.107) 1.213 11.804 ( 0.329 0.231 1.901) 1.943 11.908 ( -0.272 0.103 -0.115) 0.313 ======================= Grid point 24 (18/125) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 10.992 -5.745 -4.589) 13.225 1.121 ( 11.895 -9.351 -8.602) 17.405 1.450 ( -0.990 5.079 4.150) 6.633 1.648 ( 5.493 3.443 -3.217) 7.237 1.742 ( 8.957 -2.461 -4.643) 10.385 1.853 ( 2.757 -2.522 -4.904) 6.165 1.916 ( 1.361 0.134 -2.687) 3.015 2.104 ( 0.618 -3.037 -7.589) 8.198 2.218 ( -6.119 -3.651 -2.417) 7.524 2.293 ( -5.995 1.296 2.429) 6.597 2.451 ( -6.852 0.486 -2.026) 7.162 2.567 ( 2.111 2.100 2.837) 4.113 2.665 ( 1.963 2.154 -1.775) 3.413 2.730 ( 0.306 -1.972 0.476) 2.052 2.882 ( 0.667 -0.398 -4.070) 4.143 2.982 ( -4.894 7.156 -2.715) 9.084 3.191 ( 2.712 -2.454 -0.127) 3.659 3.312 ( 1.929 2.775 -2.008) 3.931 3.950 ( 2.583 -2.180 0.659) 3.444 4.148 ( -2.798 3.956 0.981) 4.944 4.686 ( -0.860 -0.112 3.601) 3.704 4.774 ( -0.356 0.412 -0.277) 0.611 4.973 ( -1.358 -4.417 -0.188) 4.625 5.063 ( -1.182 -1.462 0.098) 1.882 5.214 ( 2.122 -0.564 -0.308) 2.217 5.328 ( 1.687 2.544 -0.115) 3.055 5.402 ( -0.917 -2.253 0.542) 2.492 5.594 ( -0.134 1.365 3.036) 3.332 5.660 ( -2.163 -2.241 0.092) 3.116 5.774 ( -4.069 -0.011 0.161) 4.073 5.956 ( 1.506 -2.308 1.462) 3.120 6.062 ( -1.583 0.677 2.009) 2.645 6.304 ( 0.602 -0.514 -0.814) 1.135 6.366 ( -1.051 -1.391 -2.417) 2.980 6.919 ( 2.001 0.981 -0.072) 2.230 6.961 ( 0.293 1.641 -0.370) 1.707 9.318 ( -0.534 -0.568 -0.070) 0.783 9.352 ( -1.300 0.506 0.026) 1.396 11.698 ( 1.845 -1.728 0.121) 2.531 11.763 ( 0.848 0.753 0.201) 1.152 11.839 ( 0.308 0.266 1.785) 1.831 11.911 ( 0.010 1.358 -0.062) 1.360 ======================= Grid point 25 (19/125) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 13.772 -7.892 0.000) 15.873 0.835 ( 15.490 -12.756 0.000) 20.067 1.418 ( 23.419 -12.566 0.000) 26.577 1.589 ( 1.023 2.462 -0.000) 2.666 1.616 ( -0.811 3.567 -0.000) 3.658 1.808 ( 0.730 5.871 -0.000) 5.916 1.915 ( 5.811 -0.751 -0.000) 5.860 2.026 ( -7.873 -0.502 0.000) 7.889 2.218 ( -5.337 -3.966 0.000) 6.650 2.377 ( -9.448 -3.849 0.000) 10.202 2.482 ( -4.640 3.410 -0.000) 5.758 2.603 ( 3.846 3.075 -0.000) 4.924 2.652 ( -1.295 3.672 -0.000) 3.893 2.711 ( 3.442 -2.371 0.000) 4.180 2.832 ( -0.201 0.260 -0.000) 0.329 3.011 ( 1.914 4.728 -0.000) 5.101 3.176 ( -2.666 -0.989 0.000) 2.843 3.312 ( 0.680 4.179 -0.000) 4.234 3.915 ( 2.821 -4.139 0.000) 5.009 4.204 ( -2.677 3.937 -0.000) 4.761 4.742 ( -2.314 -0.636 0.000) 2.400 4.767 ( -0.454 0.151 0.000) 0.478 4.950 ( -1.215 -5.213 0.000) 5.353 5.060 ( -0.059 -2.222 0.000) 2.223 5.200 ( 0.819 0.220 -0.000) 0.848 5.327 ( 3.255 5.771 -0.000) 6.626 5.400 ( -2.371 -3.257 0.000) 4.029 5.627 ( 0.433 -0.245 0.000) 0.498 5.668 ( -2.727 -1.444 0.000) 3.085 5.805 ( -3.529 -0.187 0.000) 3.533 5.946 ( 0.615 -2.682 0.000) 2.752 6.088 ( -1.583 -2.305 0.000) 2.796 6.291 ( 0.311 0.204 -0.000) 0.372 6.334 ( -0.330 -1.318 0.000) 1.359 6.905 ( 2.798 0.676 -0.000) 2.879 6.964 ( 0.414 1.576 -0.000) 1.630 9.317 ( -0.577 -0.604 0.000) 0.835 9.366 ( -1.324 0.536 -0.000) 1.429 11.672 ( 1.547 -2.453 0.000) 2.901 11.762 ( 0.924 0.486 -0.000) 1.044 11.856 ( 0.101 0.324 -0.000) 0.339 11.925 ( 0.553 3.197 -0.000) 3.244 ======================= Grid point 30 (20/125) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 0.000 -0.000 0.330) 0.330 1.306 ( -0.000 0.000 -1.912) 1.912 1.580 ( -0.000 0.000 -4.782) 4.782 1.747 ( 0.000 -0.000 0.703) 0.703 2.029 ( -0.000 0.000 -3.085) 3.085 2.077 ( 0.000 -0.000 7.854) 7.854 2.119 ( 0.000 -0.000 1.763) 1.763 2.157 ( -0.000 0.000 -0.617) 0.617 2.191 ( -0.000 0.000 -6.356) 6.356 2.336 ( -0.000 0.000 -1.658) 1.658 2.460 ( 0.000 -0.000 0.016) 0.016 2.584 ( -0.000 0.000 -8.113) 8.113 2.714 ( -0.000 0.000 -9.405) 9.405 2.922 ( -0.000 0.000 -0.705) 0.705 2.957 ( 0.000 -0.000 3.822) 3.822 2.962 ( -0.000 0.000 -6.024) 6.024 3.443 ( -0.000 0.000 -8.132) 8.132 3.575 ( -0.000 0.000 -7.750) 7.750 3.915 ( 0.000 -0.000 0.404) 0.404 3.991 ( 0.000 -0.000 2.413) 2.413 4.542 ( 0.000 -0.000 4.531) 4.531 4.816 ( -0.000 0.000 -0.685) 0.685 4.970 ( -0.000 0.000 -0.096) 0.096 5.031 ( 0.000 -0.000 1.493) 1.493 5.310 ( 0.000 -0.000 3.224) 3.224 5.320 ( 0.000 -0.000 1.793) 1.793 5.330 ( 0.000 -0.000 0.911) 0.911 5.377 ( 0.000 -0.000 2.521) 2.521 5.685 ( -0.000 0.000 -0.713) 0.713 5.726 ( -0.000 0.000 -0.842) 0.842 5.826 ( 0.000 -0.000 4.098) 4.098 5.996 ( -0.000 0.000 -0.804) 0.804 6.377 ( -0.000 0.000 -0.859) 0.859 6.433 ( -0.000 0.000 -0.754) 0.754 6.925 ( 0.000 -0.000 1.506) 1.506 6.941 ( -0.000 0.000 -1.191) 1.191 9.318 ( -0.000 0.000 -0.628) 0.628 9.334 ( -0.000 0.000 -0.030) 0.030 11.695 ( 0.000 -0.000 1.392) 1.392 11.772 ( 0.000 -0.000 1.571) 1.571 11.785 ( -0.000 0.000 -0.161) 0.161 11.904 ( 0.000 -0.000 0.075) 0.075 ======================= Grid point 34 (21/125) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 0.471 1.925 2.253) 3.001 1.261 ( -1.165 0.884 -3.248) 3.562 1.543 ( 2.546 -0.601 1.051) 2.819 1.704 ( 3.901 -0.160 -2.219) 4.491 1.942 ( 1.693 -4.381 -4.750) 6.680 2.053 ( 0.836 -2.661 -6.727) 7.282 2.069 ( -1.445 -0.028 -4.364) 4.597 2.153 ( 0.998 0.755 -2.035) 2.389 2.186 ( -0.479 4.222 -4.416) 6.129 2.263 ( -0.721 1.537 -3.658) 4.032 2.479 ( -0.213 -1.400 1.656) 2.179 2.507 ( -3.760 0.598 -2.258) 4.426 2.613 ( -1.678 -0.332 0.818) 1.896 2.840 ( 1.549 -0.435 -6.204) 6.410 2.875 ( -0.530 0.146 -4.276) 4.311 2.985 ( 0.411 0.147 -1.078) 1.163 3.292 ( 0.793 -0.691 -6.110) 6.200 3.440 ( 2.297 0.308 -6.072) 6.499 3.943 ( -0.334 1.010 1.912) 2.188 4.030 ( -0.875 1.217 1.083) 1.849 4.620 ( 0.348 0.094 4.078) 4.094 4.797 ( 1.217 -0.688 -0.634) 1.535 4.975 ( -1.986 -0.513 0.009) 2.051 5.046 ( -0.654 -0.134 -0.029) 0.669 5.316 ( 3.600 -3.337 1.366) 5.095 5.349 ( 1.945 -0.002 1.884) 2.708 5.381 ( -0.834 0.293 2.661) 2.804 5.447 ( -3.432 2.541 2.503) 4.950 5.673 ( 0.442 -0.401 -0.108) 0.606 5.715 ( -1.406 -0.802 -0.566) 1.715 5.915 ( -1.323 0.908 4.331) 4.619 5.999 ( 0.616 0.150 1.222) 1.377 6.355 ( 0.453 -0.684 -1.059) 1.340 6.408 ( -0.364 -0.592 -1.863) 1.988 6.924 ( 0.086 0.690 -0.776) 1.042 6.944 ( -0.011 0.581 0.286) 0.648 9.312 ( -0.333 0.018 -0.142) 0.362 9.332 ( -0.203 -0.046 -0.208) 0.295 11.719 ( 0.155 0.128 1.268) 1.283 11.778 ( 0.796 -0.062 -0.233) 0.832 11.805 ( 0.118 0.188 1.971) 1.984 11.904 ( -0.286 -0.155 -0.221) 0.393 ======================= Grid point 35 (22/125) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 5.804 -2.628 -0.616) 6.401 1.251 ( -1.979 3.946 -1.625) 4.704 1.485 ( 8.735 -5.905 -1.092) 10.600 1.659 ( 5.245 3.329 -0.015) 6.212 1.835 ( -1.008 -0.138 -2.579) 2.772 1.895 ( 1.723 -0.936 -6.615) 6.899 1.970 ( 5.201 -1.682 -5.642) 7.856 2.062 ( -4.300 3.375 -5.895) 8.039 2.153 ( -6.480 -1.142 -1.916) 6.853 2.246 ( -5.040 1.555 -3.197) 6.168 2.460 ( 4.050 -7.500 1.497) 8.654 2.569 ( 0.434 1.424 4.389) 4.634 2.682 ( 0.642 0.132 1.042) 1.230 2.742 ( 0.210 -0.118 -0.326) 0.405 2.811 ( -3.013 4.541 -4.773) 7.245 2.918 ( 0.720 0.044 -5.035) 5.086 3.235 ( 0.759 -0.610 0.247) 1.005 3.332 ( 2.254 0.396 -3.979) 4.590 3.985 ( 0.414 0.189 1.711) 1.771 4.061 ( -2.147 2.906 -0.045) 3.614 4.686 ( 0.014 -0.312 3.442) 3.457 4.772 ( 0.181 -0.372 -1.086) 1.162 4.989 ( -1.869 -1.742 0.437) 2.592 5.044 ( -1.934 -0.152 -0.917) 2.146 5.281 ( 4.060 -2.946 0.321) 5.027 5.354 ( 3.615 0.767 0.627) 3.748 5.418 ( -1.452 -2.730 1.222) 3.325 5.534 ( -3.696 3.454 1.753) 5.354 5.670 ( 0.098 -1.431 0.548) 1.536 5.719 ( -2.430 0.181 -0.391) 2.468 5.990 ( 0.143 -0.732 2.580) 2.686 6.032 ( -0.602 0.947 2.176) 2.448 6.328 ( 0.783 -1.040 -0.623) 1.443 6.368 ( -0.503 -0.875 -2.266) 2.480 6.922 ( 0.443 1.255 0.034) 1.331 6.945 ( 0.170 1.314 -0.591) 1.451 9.316 ( -0.453 -0.233 0.120) 0.524 9.331 ( -0.723 0.181 -0.243) 0.783 11.735 ( 1.031 -0.349 0.823) 1.364 11.767 ( 0.891 0.415 -0.264) 1.018 11.842 ( 0.211 0.086 1.972) 1.985 11.898 ( -0.355 0.184 -0.722) 0.825 ======================= Grid point 36 (23/125) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 9.452 -6.555 0.000) 11.503 1.174 ( 10.978 -6.361 0.000) 12.688 1.452 ( -2.874 3.413 -0.000) 4.461 1.625 ( 8.857 6.069 -0.000) 10.736 1.795 ( 7.059 -1.045 -0.000) 7.136 1.842 ( 6.049 0.446 -0.000) 6.066 1.878 ( -6.213 -4.292 0.000) 7.551 2.035 ( -1.656 1.602 -0.000) 2.304 2.170 ( -5.279 -2.807 0.000) 5.979 2.281 ( -7.320 0.405 0.000) 7.331 2.396 ( -0.066 -5.859 0.000) 5.859 2.620 ( 2.809 1.568 -0.000) 3.216 2.642 ( 2.548 1.047 -0.000) 2.754 2.780 ( 2.017 -1.602 0.000) 2.575 2.821 ( -1.291 2.827 -0.000) 3.108 2.866 ( -4.772 6.175 -0.000) 7.804 3.227 ( 2.148 -2.302 0.000) 3.149 3.289 ( 0.761 1.677 -0.000) 1.842 3.987 ( 1.729 -1.546 0.000) 2.320 4.105 ( -3.336 4.152 -0.000) 5.326 4.727 ( -0.841 -1.180 0.000) 1.449 4.755 ( -0.722 0.339 -0.000) 0.798 4.988 ( -1.113 -3.436 0.000) 3.612 5.053 ( -2.649 -0.102 0.000) 2.651 5.239 ( 3.008 -2.170 0.000) 3.710 5.334 ( 4.693 2.497 -0.000) 5.316 5.418 ( -1.935 -4.263 0.000) 4.682 5.596 ( -2.300 3.226 -0.000) 3.962 5.666 ( -1.065 -2.782 0.000) 2.979 5.741 ( -3.191 1.212 -0.000) 3.413 5.995 ( 1.292 -2.208 0.000) 2.559 6.073 ( -1.411 0.889 -0.000) 1.668 6.311 ( 0.921 -1.357 0.000) 1.640 6.339 ( -0.394 -0.593 0.000) 0.712 6.925 ( 1.298 1.090 -0.000) 1.695 6.946 ( 0.149 1.982 -0.000) 1.988 9.317 ( -0.419 -0.572 0.000) 0.709 9.339 ( -1.223 0.494 -0.000) 1.319 11.724 ( 1.951 -1.294 0.000) 2.341 11.765 ( 0.641 0.957 -0.000) 1.152 11.861 ( 0.376 -0.432 0.000) 0.573 11.895 ( -0.496 1.513 -0.000) 1.593 ======================= Grid point 43 (24/125) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 0.000 -0.000 2.165) 2.165 1.198 ( -0.000 0.000 -2.401) 2.401 1.632 ( 0.000 -0.000 5.813) 5.813 1.712 ( 0.000 -0.000 0.785) 0.785 1.799 ( -0.000 0.000 -8.800) 8.800 1.870 ( -0.000 0.000 -12.307) 12.307 2.022 ( 0.000 -0.000 0.454) 0.454 2.095 ( -0.000 0.000 -4.741) 4.741 2.101 ( -0.000 0.000 -5.640) 5.640 2.129 ( -0.000 0.000 -5.553) 5.553 2.535 ( 0.000 -0.000 4.908) 4.908 2.563 ( 0.000 -0.000 5.649) 5.649 2.688 ( 0.000 -0.000 6.516) 6.516 2.732 ( -0.000 0.000 -5.626) 5.626 2.787 ( -0.000 0.000 -5.678) 5.678 2.921 ( -0.000 0.000 -5.305) 5.305 3.243 ( -0.000 0.000 -0.177) 0.177 3.347 ( -0.000 0.000 -4.994) 4.994 3.977 ( 0.000 -0.000 2.216) 2.216 4.030 ( -0.000 0.000 -0.351) 0.351 4.687 ( 0.000 -0.000 3.353) 3.353 4.780 ( -0.000 0.000 -1.774) 1.774 4.976 ( 0.000 -0.000 0.891) 0.891 5.030 ( -0.000 0.000 -1.411) 1.411 5.378 ( 0.000 -0.000 1.138) 1.138 5.388 ( 0.000 -0.000 0.874) 0.874 5.412 ( 0.000 -0.000 1.991) 1.991 5.442 ( 0.000 -0.000 0.434) 0.434 5.681 ( 0.000 -0.000 0.604) 0.604 5.703 ( -0.000 0.000 -0.515) 0.515 5.986 ( 0.000 -0.000 3.845) 3.845 6.027 ( 0.000 -0.000 1.362) 1.362 6.342 ( -0.000 0.000 -0.692) 0.692 6.371 ( -0.000 0.000 -2.124) 2.124 6.914 ( 0.000 -0.000 0.053) 0.053 6.937 ( -0.000 0.000 -0.682) 0.682 9.312 ( 0.000 -0.000 0.235) 0.235 9.326 ( -0.000 0.000 -0.399) 0.399 11.742 ( 0.000 -0.000 1.182) 1.182 11.774 ( -0.000 0.000 -0.559) 0.559 11.842 ( 0.000 -0.000 1.992) 1.992 11.895 ( -0.000 0.000 -0.790) 0.790 ======================= Grid point 47 (25/125) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 3.461 -2.156 0.000) 4.078 1.190 ( -1.881 4.585 -0.000) 4.956 1.586 ( 10.433 -8.998 0.000) 13.777 1.693 ( 9.879 7.298 -0.000) 12.282 1.755 ( -10.472 -6.275 0.000) 12.208 1.847 ( -8.774 7.376 -0.000) 11.463 1.951 ( 8.332 -3.705 0.000) 9.119 1.994 ( 9.056 3.027 -0.000) 9.548 2.094 ( -9.210 -3.702 0.000) 9.926 2.133 ( -8.662 2.774 0.000) 9.095 2.586 ( 5.467 -5.958 0.000) 8.086 2.633 ( 0.106 1.577 -0.000) 1.581 2.672 ( 1.497 -0.509 -0.000) 1.581 2.693 ( -1.923 2.752 -0.000) 3.357 2.809 ( 0.493 -0.262 0.000) 0.558 2.821 ( -0.866 1.326 -0.000) 1.583 3.267 ( 0.854 -0.637 0.000) 1.065 3.277 ( -0.290 0.875 -0.000) 0.922 4.010 ( 0.346 -0.217 0.000) 0.409 4.024 ( -1.498 1.996 -0.000) 2.495 4.738 ( 0.163 -0.711 0.000) 0.729 4.743 ( -0.408 0.074 0.000) 0.415 5.000 ( -0.663 -0.997 0.000) 1.198 5.009 ( -1.814 0.472 0.000) 1.874 5.342 ( 4.947 -4.086 0.000) 6.417 5.382 ( 3.460 1.153 -0.000) 3.647 5.436 ( -1.852 -2.910 0.000) 3.449 5.489 ( -5.014 4.360 -0.000) 6.644 5.688 ( 0.273 -1.054 0.000) 1.089 5.698 ( -0.960 0.545 -0.000) 1.104 6.028 ( 0.514 -0.807 0.000) 0.957 6.039 ( -0.891 0.912 -0.000) 1.275 6.337 ( 0.452 -0.806 0.000) 0.924 6.341 ( -0.055 -0.226 0.000) 0.233 6.924 ( 0.268 0.621 -0.000) 0.677 6.926 ( -0.064 1.005 -0.000) 1.007 9.318 ( -0.146 -0.235 0.000) 0.277 9.321 ( -0.506 0.208 -0.000) 0.547 11.756 ( 0.877 -0.348 0.000) 0.944 11.761 ( 0.231 0.476 -0.000) 0.529 11.872 ( 0.211 -0.320 0.000) 0.384 11.876 ( -0.340 0.394 -0.000) 0.520 ======================= Grid point 94 (26/125) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.272 ( 0.000 21.921 -0.000) 21.921 0.295 ( 0.000 23.609 -0.000) 23.609 0.433 ( 0.000 34.560 -0.000) 34.560 1.627 ( -0.000 -3.930 0.000) 3.930 1.653 ( 0.000 0.228 -0.000) 0.228 1.834 ( -0.000 -0.979 0.000) 0.979 1.947 ( -0.000 -8.927 0.000) 8.927 2.159 ( -0.000 -1.336 0.000) 1.336 2.342 ( 0.000 2.381 -0.000) 2.381 2.473 ( 0.000 3.577 -0.000) 3.577 2.488 ( -0.000 -1.498 0.000) 1.498 2.630 ( 0.000 0.140 -0.000) 0.140 2.638 ( 0.000 1.135 -0.000) 1.135 2.741 ( 0.000 0.370 -0.000) 0.370 2.789 ( 0.000 0.790 -0.000) 0.790 2.858 ( -0.000 -0.432 0.000) 0.432 3.345 ( -0.000 -8.291 0.000) 8.291 3.354 ( -0.000 -1.796 0.000) 1.796 3.897 ( 0.000 2.577 -0.000) 2.577 4.198 ( -0.000 -0.081 0.000) 0.081 4.745 ( 0.000 0.073 -0.000) 0.073 4.820 ( -0.000 -1.313 0.000) 1.313 4.956 ( 0.000 4.821 -0.000) 4.821 5.082 ( -0.000 -0.336 0.000) 0.336 5.203 ( 0.000 0.374 -0.000) 0.374 5.216 ( -0.000 -2.320 0.000) 2.320 5.472 ( 0.000 0.825 -0.000) 0.825 5.546 ( -0.000 -0.220 0.000) 0.220 5.737 ( 0.000 0.970 -0.000) 0.970 5.857 ( 0.000 3.302 -0.000) 3.302 5.928 ( 0.000 0.026 -0.000) 0.026 6.287 ( -0.000 -3.157 0.000) 3.157 6.295 ( -0.000 -0.378 0.000) 0.378 6.333 ( 0.000 0.557 -0.000) 0.557 6.790 ( 0.000 1.270 -0.000) 1.270 6.971 ( -0.000 -0.711 0.000) 0.711 9.323 ( 0.000 0.362 -0.000) 0.362 9.395 ( -0.000 -0.367 0.000) 0.367 11.732 ( 0.000 0.484 -0.000) 0.484 11.745 ( -0.000 -0.092 0.000) 0.092 11.792 ( 0.000 0.366 -0.000) 0.366 11.865 ( -0.000 -0.803 0.000) 0.803 ======================= Grid point 95 (27/125) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( -2.608 12.881 13.005) 18.489 0.612 ( -9.916 15.304 12.200) 21.941 1.032 ( -9.088 20.807 27.754) 35.858 1.541 ( -0.370 -6.131 -4.509) 7.620 1.732 ( 1.255 2.706 3.214) 4.385 1.767 ( -3.008 0.661 -0.851) 3.195 1.917 ( 0.856 -9.748 3.189) 10.292 2.142 ( 0.400 -1.727 -0.028) 1.773 2.376 ( 5.774 2.761 4.286) 7.703 2.451 ( 0.531 -0.214 -2.359) 2.428 2.514 ( -2.287 1.566 0.221) 2.781 2.616 ( 4.576 0.907 0.284) 4.673 2.654 ( -0.819 -0.354 0.697) 1.132 2.708 ( 0.257 -0.684 -0.326) 0.800 2.880 ( -2.464 0.299 4.139) 4.826 2.920 ( -3.176 -0.988 5.450) 6.384 3.283 ( 3.569 -5.915 -0.796) 6.954 3.324 ( -1.793 -5.561 -0.278) 5.850 3.847 ( 0.630 7.572 -2.637) 8.043 4.191 ( -2.467 -1.131 -2.412) 3.631 4.741 ( 1.586 -2.236 -0.616) 2.809 4.783 ( -1.040 -2.004 -2.284) 3.212 4.978 ( 2.164 5.436 -0.107) 5.852 5.068 ( 3.932 2.619 1.031) 4.835 5.142 ( -4.358 -0.225 -1.211) 4.529 5.332 ( -1.168 -4.154 2.531) 5.003 5.468 ( 3.944 -1.886 0.489) 4.398 5.542 ( -3.826 -1.699 -1.939) 4.613 5.733 ( 2.501 2.525 -0.576) 3.601 5.841 ( 1.199 4.001 -3.451) 5.418 5.872 ( -0.996 3.995 -2.797) 4.977 6.186 ( 4.570 -0.810 -0.930) 4.734 6.307 ( 0.161 -0.453 1.517) 1.591 6.418 ( 4.687 -2.336 3.978) 6.576 6.821 ( -4.078 0.766 0.010) 4.149 6.971 ( -0.026 -0.837 0.306) 0.892 9.326 ( 0.244 0.497 0.093) 0.561 9.392 ( 0.573 -0.790 -0.022) 0.976 11.658 ( 2.279 4.569 -1.957) 5.468 11.746 ( -0.430 0.059 -0.207) 0.481 11.811 ( -3.429 -0.272 -1.600) 3.793 11.884 ( -1.881 -2.142 0.536) 2.900 ======================= Grid point 96 (28/125) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -4.062 5.521 13.253) 14.921 0.985 ( -9.042 10.685 11.675) 18.227 1.414 ( -0.151 -5.681 -4.500) 7.249 1.612 ( -4.083 4.784 11.982) 13.532 1.758 ( -2.375 6.314 5.300) 8.579 1.871 ( 0.999 -1.679 6.021) 6.330 1.972 ( -3.580 0.017 8.502) 9.225 2.145 ( -1.306 -2.347 0.944) 2.847 2.360 ( 3.849 -0.965 -2.687) 4.793 2.456 ( 4.272 1.042 4.423) 6.237 2.499 ( 1.601 -1.880 -1.683) 2.988 2.609 ( 0.467 -0.092 0.529) 0.711 2.655 ( 0.130 2.269 1.101) 2.525 2.768 ( 0.484 1.233 4.304) 4.503 2.947 ( 0.928 -1.124 3.837) 4.104 3.077 ( -6.139 -0.377 7.142) 9.426 3.186 ( 4.175 -2.649 -3.214) 5.897 3.343 ( -2.620 -7.223 5.704) 9.570 3.872 ( -1.482 4.891 0.020) 5.110 4.138 ( -0.889 -1.475 -3.739) 4.117 4.661 ( 2.319 -2.141 -4.078) 5.157 4.755 ( -1.629 -3.292 -0.836) 3.767 4.987 ( 1.866 4.134 -0.230) 4.541 5.079 ( 1.452 2.394 0.269) 2.813 5.170 ( -2.750 -0.291 1.005) 2.942 5.327 ( -0.167 -1.829 -1.052) 2.117 5.418 ( 2.836 -1.399 -1.757) 3.617 5.499 ( -2.023 -1.702 -3.868) 4.685 5.713 ( 3.525 3.024 -0.754) 4.705 5.819 ( -0.634 3.078 -1.680) 3.563 5.854 ( -0.351 3.574 -2.284) 4.256 6.129 ( 4.022 -2.699 -0.917) 4.930 6.333 ( 0.990 -0.548 1.917) 2.226 6.425 ( 1.157 0.127 0.551) 1.288 6.858 ( -3.298 0.983 0.362) 3.461 6.971 ( -0.010 -0.820 0.225) 0.850 9.328 ( 0.401 0.513 0.105) 0.659 9.377 ( 0.783 -0.689 -0.494) 1.154 11.659 ( -0.260 3.055 -0.247) 3.076 11.745 ( -0.444 -0.004 -0.266) 0.518 11.799 ( -0.407 -0.238 -1.026) 1.129 11.891 ( -1.791 -1.423 0.087) 2.289 ======================= Grid point 97 (29/125) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -2.384 -0.189 9.122) 9.430 1.261 ( -5.026 3.017 3.295) 6.725 1.351 ( -1.334 1.509 3.957) 4.440 1.668 ( 0.296 5.411 -1.898) 5.742 1.869 ( -2.418 -8.168 4.791) 9.774 2.009 ( -1.333 2.524 5.905) 6.558 2.128 ( -1.398 -4.339 -1.819) 4.908 2.180 ( 1.412 3.063 2.947) 4.479 2.352 ( -0.333 2.279 5.368) 5.841 2.412 ( 1.657 -1.996 -2.882) 3.877 2.537 ( 2.608 1.991 5.216) 6.162 2.625 ( 0.654 0.720 1.615) 1.885 2.710 ( -0.499 2.982 2.169) 3.721 2.817 ( 0.732 1.719 0.480) 1.929 2.989 ( 2.022 -0.910 1.796) 2.853 3.076 ( 1.725 -3.583 -1.932) 4.420 3.284 ( -5.286 0.874 9.742) 11.118 3.477 ( -2.358 -5.562 10.291) 11.933 3.913 ( -1.170 2.098 0.783) 2.527 4.063 ( -0.296 -1.259 -3.566) 3.793 4.558 ( 1.484 -1.101 -4.267) 4.650 4.725 ( -1.226 -3.030 -1.354) 3.538 4.997 ( 0.916 3.323 -0.222) 3.454 5.079 ( 0.967 0.871 -0.409) 1.365 5.205 ( -2.233 -0.447 0.914) 2.454 5.282 ( 0.951 -1.806 -2.269) 3.052 5.354 ( 1.547 0.178 -2.628) 3.055 5.431 ( -1.206 -0.681 -3.618) 3.874 5.695 ( 2.521 2.151 -0.537) 3.357 5.800 ( 1.789 2.974 -1.918) 3.966 5.860 ( -2.107 2.320 -0.299) 3.149 6.059 ( 3.474 -3.448 -1.373) 5.083 6.350 ( 0.843 -0.375 1.124) 1.454 6.429 ( -0.269 0.858 -0.140) 0.910 6.895 ( -2.269 1.006 0.664) 2.570 6.967 ( 0.249 -0.860 0.052) 0.897 9.330 ( 0.372 0.407 0.098) 0.560 9.358 ( 0.645 -0.507 -0.605) 1.019 11.678 ( -0.670 1.918 0.098) 2.034 11.743 ( -0.456 -0.261 -0.199) 0.562 11.781 ( 0.693 -0.197 -0.673) 0.986 11.898 ( -1.423 -0.721 0.091) 1.598 ======================= Grid point 98 (30/125) ======================= q-point: ( 0.56 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 2.104 -2.928 4.060) 5.430 1.295 ( -2.828 -1.027 1.666) 3.439 1.507 ( -1.265 5.546 2.406) 6.176 1.651 ( 1.310 6.168 -3.544) 7.234 1.916 ( -2.887 -4.379 2.810) 5.950 2.052 ( -1.620 -6.565 -0.812) 6.811 2.128 ( -2.219 1.983 2.438) 3.847 2.198 ( 2.337 0.392 1.496) 2.803 2.335 ( 2.825 0.380 -1.693) 3.315 2.422 ( 1.993 -2.329 1.604) 3.459 2.605 ( 2.557 1.499 1.911) 3.526 2.669 ( -1.977 2.835 0.299) 3.469 2.740 ( -0.088 1.408 -1.300) 1.919 2.822 ( -0.848 0.592 -0.953) 1.407 2.961 ( 0.675 0.357 -0.234) 0.799 3.066 ( -0.306 -2.361 1.521) 2.825 3.485 ( -2.122 1.568 5.962) 6.520 3.623 ( -1.697 -3.084 5.902) 6.872 3.938 ( 0.322 0.423 1.030) 1.160 4.017 ( 0.193 -0.456 -1.048) 1.159 4.482 ( 0.953 -0.529 -2.218) 2.471 4.705 ( -2.374 -0.386 -0.391) 2.436 4.995 ( 0.664 1.628 -1.269) 2.168 5.061 ( 0.969 -0.722 -0.860) 1.483 5.228 ( -0.647 -0.311 -0.161) 0.736 5.238 ( -1.749 -0.913 0.158) 1.979 5.311 ( 1.747 0.998 -1.306) 2.398 5.388 ( -0.531 -0.637 -1.376) 1.606 5.679 ( 1.353 0.916 -0.706) 1.780 5.772 ( 0.957 1.446 -1.406) 2.232 5.881 ( 0.419 1.321 -0.200) 1.400 6.006 ( 1.000 -2.441 0.273) 2.652 6.359 ( -0.159 0.175 0.334) 0.409 6.429 ( -0.429 0.246 -0.616) 0.790 6.922 ( -0.459 0.651 0.336) 0.864 6.961 ( 0.312 -0.608 0.170) 0.704 9.331 ( 0.116 0.217 0.020) 0.247 9.343 ( 0.240 -0.248 -0.243) 0.422 11.688 ( 0.254 0.610 -0.231) 0.700 11.745 ( -0.746 -0.145 0.154) 0.775 11.764 ( 0.857 -0.085 -0.317) 0.918 11.905 ( -0.813 -0.178 0.081) 0.836 ======================= Grid point 99 (31/125) ======================= q-point: (-0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 4.264 -0.935 3.143) 5.380 1.306 ( 1.489 0.052 -2.341) 2.775 1.472 ( 0.683 1.473 -7.084) 7.268 1.602 ( 0.225 2.596 -3.207) 4.133 1.966 ( -2.247 -0.011 1.413) 2.654 2.041 ( -2.935 -5.500 0.372) 6.245 2.154 ( 4.677 2.274 -0.438) 5.219 2.174 ( 1.049 -0.041 -1.713) 2.009 2.364 ( -1.750 1.145 2.102) 2.965 2.387 ( 2.826 -3.053 0.599) 4.203 2.606 ( 1.971 1.076 -0.332) 2.270 2.656 ( -1.190 0.802 -3.655) 3.927 2.710 ( -1.764 -0.131 -3.378) 3.813 2.786 ( -1.857 -1.875 -2.036) 3.333 3.005 ( -1.677 3.109 1.395) 3.798 3.076 ( -0.563 -1.500 0.819) 1.799 3.476 ( 3.299 0.395 -6.499) 7.299 3.662 ( -1.749 0.167 -2.438) 3.005 3.954 ( 2.320 1.692 -0.644) 2.943 4.006 ( 1.167 -1.441 2.204) 2.880 4.481 ( 0.096 -0.412 3.390) 3.416 4.757 ( -4.322 2.947 1.934) 5.577 4.963 ( 0.578 -0.503 -1.931) 2.077 5.033 ( 0.280 -2.467 -0.297) 2.500 5.244 ( -1.361 1.047 0.080) 1.719 5.274 ( -1.519 0.420 1.864) 2.441 5.293 ( 1.492 0.386 1.298) 2.015 5.383 ( 0.060 -0.928 1.113) 1.450 5.661 ( 0.038 -0.351 -0.817) 0.890 5.757 ( -0.380 0.232 -0.486) 0.659 5.852 ( 3.692 -0.921 -0.668) 3.864 6.037 ( -2.378 0.212 2.571) 3.509 6.368 ( -1.102 0.722 -0.205) 1.333 6.416 ( -0.517 -0.685 -1.071) 1.372 6.914 ( 2.343 -0.076 -0.365) 2.373 6.968 ( -0.306 0.030 0.501) 0.588 9.328 ( -0.140 -0.074 -0.337) 0.373 9.347 ( -0.370 0.097 0.583) 0.698 11.673 ( 1.399 -0.428 -0.698) 1.621 11.750 ( 0.709 0.274 0.032) 0.761 11.763 ( -0.856 -0.182 0.542) 1.030 11.910 ( -0.104 0.145 0.084) 0.197 ======================= Grid point 100 (32/125) ======================= q-point: (-0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 7.619 0.713 -10.596) 13.070 1.152 ( 6.838 -1.446 -10.901) 12.949 1.414 ( 0.784 1.530 2.684) 3.188 1.602 ( -1.574 -0.012 1.386) 2.097 1.931 ( 1.727 -2.618 -11.731) 12.143 1.958 ( 1.722 -1.525 -4.909) 5.422 2.109 ( 1.674 3.236 -1.632) 3.992 2.155 ( -1.616 -2.561 -0.496) 3.069 2.323 ( 1.731 0.359 0.163) 1.775 2.463 ( -0.503 0.283 3.204) 3.255 2.565 ( -2.467 1.540 -6.549) 7.166 2.611 ( 2.874 -0.899 0.732) 3.099 2.647 ( -1.674 -0.445 -3.216) 3.653 2.781 ( -5.359 -0.772 -1.651) 5.660 3.011 ( -2.543 0.433 -3.207) 4.116 3.122 ( -1.324 0.552 3.642) 3.914 3.280 ( 5.844 0.048 -9.660) 11.290 3.573 ( -0.509 1.406 -7.596) 7.742 3.887 ( 4.843 -0.108 -2.839) 5.615 4.070 ( 0.757 -0.204 4.991) 5.053 4.582 ( -0.972 0.464 6.432) 6.522 4.838 ( -4.366 4.231 0.223) 6.084 4.916 ( 0.162 -2.391 -1.924) 3.073 5.019 ( -0.520 -2.385 0.289) 2.458 5.224 ( 2.865 0.513 -1.329) 3.200 5.309 ( -0.762 0.083 1.528) 1.710 5.384 ( -2.939 2.332 4.728) 6.036 5.417 ( -0.787 -1.806 3.559) 4.068 5.652 ( -1.366 -0.697 -0.118) 1.538 5.765 ( -1.126 -0.141 0.662) 1.314 5.809 ( 4.432 -1.136 0.097) 4.577 6.109 ( -3.401 0.624 2.168) 4.081 6.375 ( -1.199 1.459 -1.393) 2.347 6.396 ( -1.421 -1.601 -0.412) 2.180 6.883 ( 3.988 -0.078 -0.166) 3.992 6.975 ( -0.010 0.004 0.178) 0.178 9.324 ( -0.345 -0.085 -0.277) 0.450 9.366 ( -0.826 0.122 0.798) 1.155 11.642 ( 1.860 -0.642 -0.954) 2.187 11.747 ( 0.865 0.079 0.202) 0.892 11.782 ( -0.512 -0.014 0.911) 1.045 11.912 ( 0.557 0.248 0.209) 0.644 ======================= Grid point 101 (33/125) ======================= q-point: (-0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 12.673 0.000 -14.929) 19.582 0.831 ( 7.981 0.000 -16.870) 18.663 1.446 ( 4.044 0.000 -19.421) 19.838 1.541 ( 4.919 0.000 -3.745) 6.182 1.648 ( -1.183 -0.000 1.880) 2.221 1.848 ( 3.405 0.000 -4.952) 6.010 2.086 ( -0.815 0.000 -2.736) 2.854 2.157 ( -3.803 -0.000 -0.742) 3.875 2.356 ( -1.538 -0.000 2.441) 2.885 2.429 ( -1.429 0.000 -7.233) 7.373 2.516 ( 0.460 -0.000 0.891) 1.002 2.600 ( -3.158 -0.000 -1.691) 3.582 2.652 ( 1.338 -0.000 2.963) 3.251 2.750 ( -1.816 0.000 -4.829) 5.159 2.962 ( -0.758 0.000 -3.645) 3.723 3.078 ( 5.400 0.000 -7.642) 9.357 3.218 ( -4.122 -0.000 4.176) 5.868 3.462 ( 0.386 0.000 -4.532) 4.548 3.800 ( 4.447 0.000 -2.496) 5.100 4.149 ( 1.894 -0.000 4.549) 4.927 4.702 ( -1.858 -0.000 5.010) 5.343 4.857 ( 1.821 0.000 -1.671) 2.471 4.889 ( -5.406 -0.000 -0.986) 5.495 5.019 ( -1.567 -0.000 -0.407) 1.619 5.178 ( 3.805 0.000 -0.866) 3.902 5.341 ( -0.134 -0.000 1.695) 1.700 5.463 ( -1.458 -0.000 2.615) 2.994 5.527 ( -4.153 -0.000 5.017) 6.513 5.671 ( -1.947 -0.000 0.906) 2.148 5.772 ( 4.714 0.000 0.060) 4.715 5.794 ( -1.081 -0.000 1.456) 1.814 6.162 ( -3.900 -0.000 0.314) 3.913 6.345 ( -0.120 0.000 -2.152) 2.155 6.416 ( -4.924 -0.000 -0.201) 4.928 6.850 ( 5.043 0.000 0.355) 5.055 6.976 ( 0.165 0.000 0.031) 0.168 9.322 ( -0.379 -0.000 -0.216) 0.437 9.387 ( -1.006 -0.000 0.655) 1.201 11.608 ( 1.718 0.000 -0.927) 1.952 11.746 ( 0.688 0.000 0.261) 0.736 11.801 ( 0.978 -0.000 1.331) 1.652 11.912 ( 1.261 0.000 0.481) 1.350 ======================= Grid point 102 (34/125) ======================= q-point: ( 0.00 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.328 ( 21.623 0.000 -0.000) 21.623 0.374 ( 24.098 0.000 -0.000) 24.098 0.585 ( 38.211 0.000 -0.000) 38.211 1.627 ( -1.331 -0.000 0.000) 1.331 1.696 ( -2.719 -0.000 0.000) 2.719 1.790 ( 7.138 0.000 -0.000) 7.138 1.986 ( -2.336 -0.000 0.000) 2.336 2.156 ( -2.052 -0.000 0.000) 2.052 2.226 ( -10.009 -0.000 0.000) 10.009 2.400 ( -5.188 -0.000 0.000) 5.188 2.572 ( 6.850 0.000 -0.000) 6.850 2.585 ( -2.859 -0.000 0.000) 2.859 2.636 ( 0.528 0.000 -0.000) 0.528 2.751 ( -2.071 -0.000 0.000) 2.071 2.842 ( -0.322 -0.000 0.000) 0.322 2.912 ( 7.843 0.000 -0.000) 7.843 3.298 ( -6.506 -0.000 0.000) 6.506 3.406 ( 0.090 0.000 -0.000) 0.090 3.752 ( 5.061 0.000 -0.000) 5.061 4.330 ( -4.001 -0.000 0.000) 4.001 4.753 ( 0.880 0.000 -0.000) 0.880 4.766 ( -2.842 -0.000 0.000) 2.842 4.854 ( 2.192 0.000 -0.000) 2.192 4.992 ( 1.273 0.000 -0.000) 1.273 5.225 ( -0.843 -0.000 0.000) 0.843 5.383 ( -0.472 -0.000 0.000) 0.472 5.509 ( -3.070 -0.000 0.000) 3.070 5.542 ( -1.673 -0.000 0.000) 1.673 5.700 ( -0.787 -0.000 0.000) 0.787 5.771 ( 5.221 0.000 -0.000) 5.221 5.902 ( -2.556 -0.000 0.000) 2.556 5.984 ( 2.193 0.000 -0.000) 2.193 6.299 ( 0.189 0.000 -0.000) 0.189 6.313 ( -0.263 -0.000 0.000) 0.263 6.879 ( 2.004 0.000 -0.000) 2.004 6.978 ( 0.318 0.000 -0.000) 0.318 9.317 ( -0.444 -0.000 0.000) 0.444 9.391 ( -0.863 -0.000 0.000) 0.863 11.590 ( 2.048 0.000 -0.000) 2.048 11.752 ( 0.799 0.000 -0.000) 0.799 11.868 ( -0.230 -0.000 0.000) 0.230 12.015 ( -1.441 -0.000 0.000) 1.441 ======================= Grid point 104 (35/125) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 0.000 8.596 17.105) 19.144 0.776 ( 0.000 1.929 18.010) 18.113 1.471 ( 0.000 8.399 28.983) 30.176 1.474 ( -0.000 -3.982 -5.954) 7.162 1.678 ( 0.000 3.224 -0.980) 3.370 1.843 ( 0.000 3.192 6.064) 6.853 2.038 ( -0.000 -7.798 2.450) 8.173 2.169 ( -0.000 -2.293 1.290) 2.631 2.394 ( 0.000 1.793 -3.436) 3.875 2.450 ( 0.000 2.515 2.557) 3.586 2.525 ( 0.000 0.931 2.924) 3.068 2.605 ( -0.000 -1.966 -3.776) 4.257 2.657 ( 0.000 0.845 1.081) 1.372 2.764 ( -0.000 0.099 5.830) 5.831 2.959 ( 0.000 0.472 5.529) 5.549 3.031 ( -0.000 -1.302 6.982) 7.102 3.245 ( -0.000 -1.072 -5.571) 5.673 3.416 ( -0.000 -6.370 5.520) 8.429 3.795 ( 0.000 4.393 1.479) 4.635 4.132 ( 0.000 0.157 -3.465) 3.469 4.707 ( -0.000 -1.591 -5.608) 5.829 4.799 ( -0.000 -5.461 1.826) 5.759 4.957 ( 0.000 3.462 0.106) 3.464 5.072 ( 0.000 2.822 -0.960) 2.980 5.133 ( 0.000 0.154 2.059) 2.064 5.339 ( -0.000 -0.528 -1.428) 1.522 5.473 ( -0.000 -0.705 -3.468) 3.539 5.519 ( -0.000 -5.270 -2.730) 5.935 5.719 ( 0.000 1.852 -0.650) 1.963 5.747 ( 0.000 3.969 -1.955) 4.424 5.820 ( 0.000 2.647 -1.583) 3.084 6.188 ( -0.000 -1.140 -1.306) 1.734 6.345 ( -0.000 -0.120 2.258) 2.261 6.461 ( -0.000 -1.738 -2.149) 2.763 6.805 ( 0.000 1.270 0.881) 1.545 6.975 ( -0.000 -0.023 0.048) 0.053 9.326 ( 0.000 0.271 0.154) 0.312 9.392 ( -0.000 -0.519 -0.761) 0.921 11.616 ( 0.000 3.101 0.152) 3.105 11.740 ( 0.000 0.008 -0.195) 0.195 11.791 ( 0.000 0.249 -0.022) 0.250 11.893 ( -0.000 -1.177 0.086) 1.180 ======================= Grid point 105 (36/125) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -0.985 -0.371 13.518) 13.559 1.107 ( -3.639 6.778 11.401) 13.754 1.371 ( -0.464 -3.016 -1.511) 3.405 1.631 ( 0.600 2.096 -0.988) 2.394 1.922 ( -0.789 -3.428 6.824) 7.678 1.964 ( -0.895 2.667 5.213) 5.924 2.082 ( -1.220 5.861 7.864) 9.883 2.174 ( 0.171 -2.521 0.641) 2.607 2.338 ( 1.308 1.448 -1.960) 2.766 2.448 ( -0.268 -1.912 -2.976) 3.548 2.567 ( 0.107 1.528 1.044) 1.854 2.598 ( -0.528 0.112 3.095) 3.141 2.692 ( 1.449 1.449 3.248) 3.840 2.836 ( 1.567 -1.344 2.167) 2.993 3.033 ( 1.744 -0.833 3.170) 3.713 3.115 ( -0.572 -1.641 -6.340) 6.574 3.210 ( -2.731 0.539 10.797) 11.150 3.528 ( -0.399 -5.471 10.052) 11.451 3.858 ( -1.276 2.913 2.326) 3.940 4.064 ( -0.348 0.056 -4.131) 4.146 4.587 ( 0.607 -0.657 -6.095) 6.160 4.785 ( 0.191 -7.046 0.656) 7.079 4.972 ( 0.998 3.023 -0.083) 3.184 5.069 ( 0.616 2.833 -0.849) 3.020 5.175 ( -1.792 -0.249 1.549) 2.382 5.311 ( 0.324 -0.819 -1.193) 1.483 5.397 ( 1.790 -1.417 -3.414) 4.107 5.426 ( -0.487 -1.498 -4.433) 4.704 5.706 ( 2.899 2.391 -0.634) 3.811 5.756 ( -3.087 1.909 -1.184) 3.818 5.811 ( 0.262 3.193 -0.736) 3.287 6.135 ( 1.722 -1.874 -2.593) 3.634 6.379 ( 1.112 -0.616 1.685) 2.111 6.418 ( -0.132 -0.233 -1.243) 1.271 6.843 ( -1.881 1.511 1.237) 2.711 6.976 ( 0.063 -0.144 0.021) 0.159 9.330 ( 0.160 0.256 0.106) 0.320 9.371 ( 0.297 -0.431 -1.007) 1.134 11.642 ( -0.462 2.189 0.674) 2.336 11.739 ( -0.217 0.019 -0.103) 0.241 11.791 ( 0.446 0.239 -0.124) 0.521 11.891 ( -0.846 -1.165 0.111) 1.444 ======================= Grid point 106 (37/125) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -1.730 2.940 -1.105) 3.586 1.267 ( -1.331 -1.957 7.189) 7.569 1.470 ( 1.092 1.331 9.025) 9.187 1.620 ( 1.929 2.731 -0.939) 3.473 1.912 ( -4.359 -5.300 -1.967) 7.138 2.064 ( -2.373 0.879 2.474) 3.538 2.119 ( 2.099 -2.378 -0.724) 3.254 2.222 ( 2.231 3.188 1.223) 4.079 2.377 ( 0.940 -0.132 -2.038) 2.248 2.384 ( -2.733 4.119 1.025) 5.048 2.591 ( -0.959 2.983 -1.081) 3.315 2.656 ( 1.453 -2.088 4.463) 5.137 2.751 ( 2.295 0.479 1.924) 3.033 2.820 ( 1.221 -1.046 0.138) 1.614 2.973 ( -0.757 -1.937 -4.996) 5.411 3.080 ( -0.669 -0.890 0.275) 1.147 3.434 ( -2.190 0.932 9.148) 9.453 3.656 ( 0.343 -3.476 5.448) 6.472 3.925 ( -0.775 1.397 2.338) 2.832 4.007 ( -0.630 0.803 -2.129) 2.361 4.493 ( 0.637 0.845 -3.143) 3.316 4.734 ( 0.631 -6.113 -0.828) 6.201 4.979 ( 0.284 1.776 -0.317) 1.826 5.064 ( 0.255 1.825 -1.062) 2.126 5.210 ( -1.880 -1.013 1.142) 2.422 5.268 ( 1.421 -2.310 -1.614) 3.156 5.328 ( 2.154 0.848 -1.170) 2.594 5.378 ( -1.212 -0.050 -1.276) 1.761 5.687 ( 1.862 1.426 -0.735) 2.458 5.754 ( -1.442 0.836 -1.643) 2.341 5.841 ( -0.979 3.416 1.068) 3.711 6.060 ( 1.889 -1.646 -2.569) 3.589 6.373 ( 1.119 -0.956 -0.127) 1.477 6.418 ( -0.793 -0.159 0.130) 0.819 6.890 ( -1.600 1.394 1.426) 2.557 6.972 ( 0.321 -0.163 -0.180) 0.403 9.331 ( 0.133 0.133 0.056) 0.196 9.349 ( 0.163 -0.259 -0.884) 0.935 11.671 ( -0.497 1.458 0.727) 1.704 11.740 ( -0.274 -0.157 0.166) 0.357 11.783 ( 1.385 0.234 -0.117) 1.409 11.895 ( -1.207 -0.854 0.153) 1.486 ======================= Grid point 107 (38/125) ======================= q-point: (-0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -1.081 4.815 -0.919) 5.019 1.348 ( 2.193 0.136 2.604) 3.407 1.503 ( 5.039 -1.176 -2.985) 5.974 1.612 ( 2.230 -1.342 0.856) 2.740 1.913 ( -5.446 -0.676 -0.252) 5.494 2.044 ( -5.273 -5.062 -2.318) 7.668 2.156 ( 1.961 2.706 2.472) 4.156 2.225 ( 4.063 1.377 -0.830) 4.369 2.319 ( 0.215 1.443 -0.793) 1.661 2.435 ( -0.861 2.937 -0.899) 3.190 2.569 ( -1.134 0.984 -3.322) 3.646 2.676 ( 2.712 -1.455 -1.026) 3.244 2.724 ( 0.380 -2.147 -0.676) 2.282 2.808 ( -0.130 -2.856 -1.279) 3.132 2.940 ( -2.419 1.370 0.140) 2.783 3.070 ( -1.477 -0.345 -1.591) 2.198 3.507 ( 1.509 0.438 -2.862) 3.265 3.655 ( 0.459 -0.825 -3.147) 3.286 3.955 ( 1.267 1.950 0.452) 2.369 4.019 ( -0.466 0.853 1.723) 1.978 4.487 ( 0.632 0.731 2.288) 2.484 4.707 ( -0.959 -2.068 1.181) 2.567 4.974 ( -0.112 -0.414 -0.787) 0.896 5.052 ( -0.311 -0.410 -0.592) 0.784 5.217 ( -0.739 -0.846 -0.089) 1.127 5.258 ( -1.006 -0.935 1.587) 2.099 5.319 ( 2.879 1.581 1.015) 3.437 5.390 ( -0.430 -0.238 1.717) 1.786 5.669 ( 0.634 0.066 -0.800) 1.023 5.740 ( -1.652 -0.089 -1.179) 2.032 5.884 ( 0.444 1.647 1.050) 2.004 6.014 ( -0.017 0.006 -0.542) 0.542 6.357 ( 0.054 -0.489 -0.657) 0.821 6.418 ( -0.699 -1.142 -0.399) 1.398 6.928 ( 0.015 0.918 1.028) 1.378 6.965 ( 0.328 0.198 -0.094) 0.394 9.328 ( 0.020 -0.154 -0.401) 0.430 9.340 ( -0.392 0.092 -0.024) 0.403 11.689 ( 0.389 0.484 0.390) 0.733 11.748 ( -0.281 -0.143 0.585) 0.665 11.772 ( 1.534 0.247 0.123) 1.559 11.902 ( -1.006 -0.414 0.156) 1.100 ======================= Grid point 108 (39/125) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 5.093 4.271 -7.508) 10.027 1.329 ( 9.290 -2.777 -5.205) 11.004 1.384 ( 0.766 3.198 0.794) 3.383 1.607 ( 0.153 -3.757 2.285) 4.400 1.929 ( -2.672 1.208 -2.077) 3.593 2.007 ( -2.688 -4.778 -4.348) 6.997 2.107 ( 2.267 -0.452 -5.286) 5.769 2.201 ( 3.355 0.900 -0.007) 3.473 2.345 ( 0.833 0.726 -2.736) 2.951 2.427 ( -1.105 2.024 1.861) 2.964 2.504 ( -1.451 2.134 -5.777) 6.327 2.604 ( -1.226 -0.359 -4.067) 4.263 2.687 ( 0.723 -2.320 -1.015) 2.634 2.766 ( -0.481 -3.901 -1.186) 4.105 2.963 ( -2.527 0.336 -1.616) 3.018 3.069 ( -3.432 1.786 -0.108) 3.871 3.360 ( 4.638 0.297 -8.692) 9.856 3.549 ( 0.433 1.591 -7.684) 7.859 3.947 ( 3.656 1.597 -0.816) 4.072 4.077 ( 0.084 0.621 4.112) 4.159 4.559 ( -0.352 1.203 4.605) 4.772 4.750 ( -2.113 1.161 1.727) 2.965 4.947 ( 0.183 -2.258 -1.117) 2.526 5.042 ( -0.824 -2.351 -0.164) 2.496 5.229 ( -0.850 0.508 -0.048) 0.992 5.290 ( -1.205 0.047 1.284) 1.761 5.348 ( 1.584 1.536 3.271) 3.945 5.436 ( 0.366 -1.272 3.792) 4.017 5.650 ( -0.559 -1.098 -0.672) 1.404 5.743 ( -2.386 -0.523 0.164) 2.448 5.884 ( 3.301 -0.804 0.718) 3.472 6.043 ( -2.908 1.853 1.066) 3.610 6.343 ( -0.766 0.333 -1.099) 1.380 6.402 ( -1.066 -1.995 -0.911) 2.438 6.931 ( 2.456 0.507 0.183) 2.514 6.972 ( -0.105 0.521 0.390) 0.659 9.321 ( -0.261 -0.212 -0.357) 0.491 9.350 ( -0.938 0.205 0.334) 1.017 11.681 ( 1.841 -0.688 -0.153) 1.971 11.759 ( 0.917 0.512 0.417) 1.130 11.777 ( 0.002 -0.069 1.212) 1.214 11.910 ( -0.493 0.053 0.233) 0.548 ======================= Grid point 109 (40/125) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 11.176 2.517 -11.935) 16.544 1.068 ( 13.471 -4.563 -10.360) 17.595 1.475 ( 0.056 4.058 4.067) 5.746 1.624 ( 2.188 -2.455 -2.152) 3.930 1.732 ( 8.037 -8.460 -13.666) 17.970 1.905 ( 2.096 1.210 -2.920) 3.792 2.018 ( -0.331 3.025 -4.866) 5.739 2.140 ( -2.700 -4.378 -1.941) 5.498 2.307 ( -1.635 3.321 -2.926) 4.719 2.394 ( -3.768 0.028 -7.146) 8.079 2.528 ( -0.759 2.744 3.018) 4.149 2.553 ( -1.913 -0.958 -1.936) 2.886 2.672 ( 1.552 -0.118 1.137) 1.927 2.729 ( -1.654 -1.779 -1.928) 3.101 2.933 ( -2.085 -0.295 -3.107) 3.753 3.128 ( -6.099 1.532 0.919) 6.356 3.177 ( 6.236 -0.346 -6.492) 9.009 3.439 ( 0.230 3.447 -5.028) 6.100 3.892 ( 5.832 -0.681 -1.321) 6.018 4.162 ( -0.065 0.917 4.341) 4.438 4.656 ( -1.881 2.060 3.668) 4.608 4.794 ( -2.264 1.679 0.082) 2.820 4.909 ( 0.286 -3.205 -0.901) 3.342 5.028 ( -0.596 -2.701 -0.273) 2.779 5.216 ( 1.515 0.500 -0.987) 1.876 5.329 ( -1.894 -0.182 1.512) 2.431 5.414 ( -0.568 3.272 2.103) 3.931 5.502 ( -0.856 -2.620 4.469) 5.251 5.649 ( -1.659 -0.656 0.414) 1.831 5.773 ( -2.204 -0.445 1.342) 2.618 5.862 ( 4.372 -2.038 1.090) 4.945 6.091 ( -3.750 1.338 -0.082) 3.982 6.330 ( -0.795 0.928 -1.530) 1.958 6.379 ( -1.970 -2.177 -1.497) 3.296 6.914 ( 3.621 0.585 0.181) 3.672 6.979 ( 0.297 0.295 0.158) 0.447 9.317 ( -0.448 -0.238 -0.256) 0.568 9.367 ( -1.341 0.260 0.350) 1.411 11.652 ( 2.523 -1.306 -0.413) 2.871 11.759 ( 1.250 0.318 0.362) 1.340 11.807 ( 0.015 0.161 1.995) 2.002 11.921 ( 0.200 0.566 0.702) 0.923 ======================= Grid point 110 (41/125) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 17.613 2.383 -11.085) 20.947 0.705 ( 16.555 -4.347 -14.111) 22.183 1.099 ( 25.078 -9.294 -21.108) 34.071 1.605 ( -1.148 4.499 3.309) 5.702 1.663 ( -1.409 -4.240 -0.279) 4.477 1.837 ( 6.505 -0.038 -0.190) 6.508 1.988 ( -2.496 5.398 -3.487) 6.894 2.132 ( -3.666 -1.324 -0.070) 3.899 2.229 ( -8.397 -0.538 -7.607) 11.343 2.368 ( -4.650 -2.393 -0.097) 5.231 2.550 ( -2.423 0.884 0.168) 2.585 2.583 ( 3.950 0.462 2.759) 4.840 2.678 ( 1.134 0.186 -2.409) 2.669 2.707 ( -0.868 0.461 1.757) 2.013 2.885 ( -1.955 0.083 -3.871) 4.337 3.017 ( 7.820 -0.113 -4.303) 8.926 3.222 ( -7.937 0.464 1.806) 8.153 3.406 ( -0.142 2.896 -1.359) 3.202 3.815 ( 6.034 -2.186 -0.970) 6.491 4.241 ( 0.009 1.074 4.037) 4.178 4.731 ( -2.770 1.390 1.334) 3.374 4.804 ( -3.292 0.610 -2.322) 4.075 4.875 ( 1.121 -2.967 -0.130) 3.174 5.009 ( 0.364 -1.862 -0.266) 1.916 5.199 ( 1.676 0.454 0.649) 1.854 5.365 ( -1.448 -0.393 1.160) 1.896 5.463 ( -1.509 5.291 -0.159) 5.504 5.559 ( -3.168 -3.345 1.380) 4.810 5.678 ( -1.734 0.326 1.017) 2.037 5.805 ( 1.940 0.824 0.705) 2.222 5.842 ( 1.853 -4.008 2.752) 5.203 6.093 ( -4.348 -0.690 -4.143) 6.045 6.311 ( -0.069 0.355 -1.227) 1.279 6.347 ( -2.642 -1.032 -3.029) 4.150 6.893 ( 3.700 0.499 0.275) 3.744 6.979 ( 0.424 0.210 0.061) 0.477 9.315 ( -0.517 -0.167 -0.149) 0.563 9.383 ( -1.388 0.200 0.055) 1.404 11.617 ( 2.464 -1.447 -0.341) 2.878 11.757 ( 1.130 0.092 0.217) 1.154 11.846 ( 0.319 0.262 2.068) 2.109 11.948 ( 1.246 1.319 2.779) 3.319 ======================= Grid point 114 (42/125) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 0.000 3.274 -1.206) 3.489 1.278 ( -0.000 -0.918 7.299) 7.356 1.468 ( -0.000 0.351 10.661) 10.666 1.630 ( -0.000 -1.284 1.824) 2.231 1.944 ( -0.000 -4.759 -4.870) 6.809 2.029 ( 0.000 1.063 4.494) 4.618 2.157 ( 0.000 7.968 3.176) 8.578 2.174 ( -0.000 -1.513 -2.061) 2.557 2.301 ( 0.000 2.548 -0.407) 2.580 2.410 ( -0.000 -2.860 -2.605) 3.869 2.523 ( 0.000 4.502 -1.496) 4.744 2.713 ( -0.000 -3.047 6.069) 6.791 2.766 ( 0.000 0.443 4.320) 4.343 2.877 ( -0.000 -3.159 -0.520) 3.202 2.973 ( -0.000 -0.454 -7.840) 7.854 3.079 ( -0.000 -0.081 0.208) 0.224 3.405 ( 0.000 0.561 10.579) 10.594 3.703 ( -0.000 -2.668 4.854) 5.539 3.892 ( 0.000 1.635 3.297) 3.680 3.990 ( 0.000 1.075 -3.438) 3.602 4.487 ( 0.000 0.609 -3.965) 4.012 4.839 ( -0.000 -8.421 -0.876) 8.466 4.965 ( 0.000 0.974 0.240) 1.003 5.021 ( 0.000 5.206 -1.262) 5.356 5.205 ( -0.000 -0.722 2.072) 2.195 5.305 ( -0.000 -1.584 -0.538) 1.673 5.354 ( 0.000 0.098 -2.904) 2.905 5.357 ( 0.000 0.059 -2.102) 2.103 5.710 ( -0.000 -0.273 0.113) 0.296 5.713 ( 0.000 0.681 -0.736) 1.003 5.786 ( 0.000 3.497 0.191) 3.502 6.090 ( -0.000 -0.610 -3.663) 3.714 6.397 ( -0.000 -0.683 -0.928) 1.152 6.415 ( -0.000 -0.493 1.287) 1.378 6.858 ( 0.000 1.076 2.030) 2.297 6.974 ( 0.000 0.149 -0.324) 0.357 9.331 ( 0.000 0.056 0.110) 0.123 9.353 ( -0.000 -0.161 -1.199) 1.209 11.649 ( 0.000 1.053 1.291) 1.666 11.739 ( -0.000 -0.008 0.284) 0.284 11.791 ( 0.000 0.290 -0.022) 0.291 11.895 ( -0.000 -0.738 0.118) 0.747 ======================= Grid point 115 (43/125) ======================= q-point: ( 0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -1.007 5.119 -1.788) 5.515 1.351 ( 0.551 2.175 1.248) 2.567 1.611 ( 3.956 -3.204 -0.107) 5.091 1.665 ( 0.118 -0.980 6.831) 6.902 1.856 ( -2.755 -4.233 -1.679) 5.323 2.047 ( -2.340 -5.166 -2.815) 6.332 2.161 ( 3.451 3.658 2.411) 5.577 2.208 ( -1.530 3.663 0.079) 3.971 2.333 ( -1.168 5.813 -1.131) 6.037 2.348 ( 0.983 -0.318 -2.328) 2.547 2.523 ( -0.916 3.619 -2.062) 4.265 2.728 ( 0.999 -0.338 -5.930) 6.023 2.789 ( 2.360 -4.855 2.055) 5.776 2.827 ( -2.283 -3.562 -1.156) 4.386 2.917 ( -0.109 0.095 1.152) 1.161 3.052 ( -0.729 -0.034 -3.225) 3.307 3.516 ( 0.189 -0.069 0.068) 0.212 3.686 ( 1.199 -1.320 -4.252) 4.611 3.948 ( 1.182 2.072 -0.264) 2.400 3.976 ( -1.894 2.408 2.040) 3.681 4.481 ( 0.257 1.110 2.363) 2.623 4.767 ( 1.038 -5.860 -0.549) 5.976 4.970 ( -0.579 -0.114 -0.116) 0.601 5.035 ( -0.353 2.133 -0.124) 2.165 5.234 ( 0.055 -1.702 1.359) 2.179 5.272 ( 0.024 -2.469 -0.159) 2.474 5.336 ( 2.375 1.939 0.901) 3.196 5.370 ( -1.537 1.067 1.743) 2.557 5.685 ( 1.656 -0.405 -0.580) 1.800 5.715 ( -2.212 -0.832 -0.989) 2.562 5.835 ( -1.085 4.053 1.802) 4.567 6.026 ( 0.761 -0.138 -2.431) 2.551 6.375 ( 0.374 -1.225 -0.804) 1.513 6.425 ( -0.256 -1.153 0.163) 1.192 6.906 ( -0.549 1.239 1.998) 2.414 6.966 ( 0.180 0.481 -0.640) 0.821 9.331 ( 0.133 -0.121 -0.416) 0.454 9.334 ( -0.252 0.017 -0.454) 0.520 11.679 ( -0.154 0.889 1.184) 1.488 11.749 ( -0.055 -0.172 0.783) 0.803 11.789 ( 0.979 0.503 -0.010) 1.101 11.896 ( -0.651 -0.818 0.186) 1.062 ======================= Grid point 116 (44/125) ======================= q-point: (-0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 0.806 6.450 -1.096) 6.592 1.348 ( 1.421 3.215 -2.236) 4.166 1.508 ( 6.736 -2.903 -3.005) 7.927 1.698 ( 2.785 -5.533 1.078) 6.287 1.863 ( -2.861 1.081 -0.426) 3.088 1.995 ( -5.638 -7.553 -1.298) 9.514 2.163 ( 2.008 0.588 -2.584) 3.325 2.221 ( 2.470 1.933 -2.775) 4.188 2.312 ( 1.326 3.066 2.054) 3.921 2.364 ( -1.021 6.619 -2.130) 7.028 2.493 ( -0.861 -0.194 -3.913) 4.011 2.610 ( -0.914 -1.586 -6.612) 6.861 2.693 ( -2.226 -1.307 -5.097) 5.713 2.827 ( 1.445 -4.261 -0.353) 4.513 2.947 ( 0.114 -0.657 1.688) 1.815 2.998 ( -2.808 1.186 -3.485) 4.630 3.410 ( 2.131 -0.435 -8.622) 8.893 3.557 ( 1.955 0.356 -7.503) 7.762 3.955 ( 1.457 2.895 0.596) 3.295 4.049 ( -1.159 2.484 2.669) 3.826 4.549 ( 0.671 1.010 4.116) 4.291 4.749 ( 0.272 -2.633 1.576) 3.081 4.967 ( -0.936 -1.576 -0.349) 1.866 5.045 ( -0.860 -0.312 0.075) 0.918 5.231 ( 0.842 -1.731 0.702) 2.049 5.283 ( -1.398 -2.009 1.352) 2.796 5.363 ( 2.866 2.385 2.378) 4.423 5.439 ( -0.778 0.928 3.926) 4.108 5.661 ( 0.407 -1.023 -0.781) 1.350 5.712 ( -2.704 -1.119 -0.380) 2.951 5.901 ( -0.530 2.146 2.195) 3.115 5.998 ( 0.112 1.056 -0.365) 1.123 6.347 ( 0.240 -1.306 -1.021) 1.675 6.412 ( -0.727 -1.854 -0.877) 2.176 6.943 ( 0.556 1.102 0.852) 1.500 6.959 ( -0.031 1.141 -0.126) 1.148 9.320 ( -0.149 -0.104 -0.473) 0.506 9.336 ( -0.568 0.024 0.005) 0.568 11.701 ( 0.525 0.395 0.906) 1.119 11.763 ( 0.260 -0.206 0.876) 0.936 11.786 ( 1.268 0.571 0.570) 1.503 11.901 ( -0.942 -0.586 0.162) 1.121 ======================= Grid point 117 (45/125) ======================= q-point: (-0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 9.321 2.479 -6.226) 11.480 1.295 ( 7.422 -2.532 -5.420) 9.533 1.416 ( 2.038 2.823 1.504) 3.792 1.670 ( -0.861 -3.869 0.587) 4.007 1.861 ( 1.328 3.857 -2.182) 4.626 1.950 ( 0.897 -6.835 -4.935) 8.478 2.041 ( 3.749 -1.476 -5.180) 6.563 2.155 ( -2.642 -1.402 -3.925) 4.935 2.285 ( 2.934 0.417 -7.589) 8.147 2.332 ( -0.849 1.758 -6.360) 6.653 2.436 ( -4.003 2.927 -0.041) 4.959 2.542 ( -1.282 0.161 0.136) 1.299 2.679 ( -1.945 0.057 0.441) 1.996 2.750 ( 1.386 -2.094 -3.107) 3.995 2.933 ( -0.557 -1.990 -2.094) 2.942 3.008 ( -5.158 2.593 -1.276) 5.913 3.252 ( 2.966 0.095 -5.463) 6.217 3.418 ( 2.055 1.649 -6.025) 6.576 3.963 ( 3.648 1.391 0.412) 3.926 4.121 ( -1.908 2.773 2.302) 4.078 4.622 ( 0.104 0.984 3.602) 3.735 4.766 ( -0.837 -0.618 0.861) 1.350 4.950 ( -0.099 -2.780 -0.421) 2.813 5.046 ( -0.915 -1.568 -0.020) 1.816 5.226 ( 0.421 -0.947 -0.169) 1.050 5.306 ( -1.743 -1.588 1.243) 2.666 5.398 ( 2.245 2.225 1.765) 3.620 5.522 ( -0.263 -0.408 4.352) 4.379 5.641 ( -0.818 -1.413 -0.464) 1.697 5.735 ( -3.286 -0.402 0.784) 3.402 5.933 ( 2.313 -0.629 1.648) 2.909 6.027 ( -1.906 1.870 1.182) 2.920 6.321 ( -0.022 -0.675 -1.086) 1.279 6.383 ( -1.261 -2.173 -1.704) 3.036 6.943 ( 1.803 1.338 -0.096) 2.247 6.973 ( 0.135 1.187 0.249) 1.221 9.315 ( -0.262 -0.271 -0.237) 0.446 9.344 ( -1.162 0.210 0.069) 1.183 11.702 ( 2.080 -0.685 0.314) 2.212 11.770 ( 0.995 0.775 0.371) 1.314 11.806 ( 0.211 0.018 1.859) 1.871 11.909 ( -0.909 0.065 0.225) 0.938 ======================= Grid point 118 (46/125) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 15.516 0.974 -6.180) 16.730 1.016 ( 14.961 -7.210 -10.507) 19.652 1.504 ( -0.694 3.353 2.695) 4.357 1.620 ( 17.755 -6.951 -5.356) 19.805 1.690 ( 0.161 -4.849 -3.555) 6.015 1.856 ( -1.023 3.338 -2.023) 4.035 1.947 ( 4.479 2.937 -1.925) 5.692 2.086 ( -0.842 0.242 -7.382) 7.433 2.149 ( -7.959 -6.034 -2.201) 10.227 2.312 ( -4.463 0.690 -1.623) 4.799 2.469 ( -6.219 2.250 -0.831) 6.665 2.599 ( 1.207 2.280 3.259) 4.157 2.686 ( 0.064 0.836 -1.345) 1.585 2.709 ( 1.653 -0.678 0.756) 1.940 2.872 ( -0.160 -1.104 -3.342) 3.523 3.049 ( -6.953 3.628 -1.616) 8.007 3.160 ( 3.858 -2.391 -1.280) 4.716 3.356 ( 0.143 3.840 -1.947) 4.308 3.930 ( 5.500 -1.143 -0.129) 5.619 4.190 ( -3.055 2.580 1.235) 4.186 4.687 ( -1.372 0.352 2.565) 2.930 4.775 ( -1.436 -0.412 -0.610) 1.614 4.925 ( 0.779 -2.892 -0.018) 2.995 5.041 ( -0.173 -2.021 0.355) 2.060 5.208 ( 0.521 -0.336 -0.595) 0.859 5.335 ( -3.169 -1.409 0.880) 3.578 5.411 ( 2.219 3.734 -0.427) 4.365 5.580 ( -0.735 -3.224 2.456) 4.119 5.648 ( -1.875 -0.077 0.629) 1.979 5.778 ( -2.761 0.818 1.109) 3.086 5.929 ( 3.050 -2.102 1.226) 3.902 6.063 ( -1.395 -0.399 0.310) 1.484 6.302 ( -0.125 0.132 -0.841) 0.860 6.345 ( -1.123 -1.941 -2.042) 3.033 6.932 ( 2.673 1.097 -0.112) 2.891 6.979 ( 0.501 1.136 -0.074) 1.243 9.312 ( -0.389 -0.384 -0.133) 0.563 9.357 ( -1.490 0.327 0.062) 1.527 11.678 ( 2.873 -1.461 -0.042) 3.223 11.772 ( 1.335 0.747 0.263) 1.552 11.841 ( -0.321 0.044 1.591) 1.624 11.928 ( -0.892 1.400 0.826) 1.854 ======================= Grid point 119 (47/125) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 18.905 -1.555 -0.000) 18.969 0.709 ( 20.387 -5.181 -0.000) 21.035 1.240 ( 31.266 -13.648 0.000) 34.115 1.616 ( -2.136 1.571 -0.000) 2.651 1.640 ( -1.069 0.300 0.000) 1.111 1.886 ( -3.501 5.924 -0.000) 6.881 1.912 ( 7.956 -0.214 -0.000) 7.959 2.047 ( -7.955 3.436 -0.000) 8.665 2.150 ( -6.074 -6.104 0.000) 8.611 2.333 ( -7.229 -3.266 0.000) 7.932 2.526 ( -3.594 3.345 -0.000) 4.909 2.633 ( 1.910 1.161 -0.000) 2.235 2.673 ( 1.742 -0.170 -0.000) 1.751 2.704 ( 0.312 1.311 -0.000) 1.348 2.832 ( -0.530 -0.113 0.000) 0.542 3.039 ( 6.977 0.525 -0.000) 6.997 3.170 ( -8.909 -0.321 0.000) 8.915 3.369 ( -0.405 4.266 -0.000) 4.285 3.871 ( 5.978 -2.829 0.000) 6.614 4.244 ( -3.941 2.326 -0.000) 4.577 4.730 ( -3.056 -1.056 0.000) 3.233 4.765 ( -0.186 -0.362 0.000) 0.407 4.902 ( 1.343 -2.386 0.000) 2.737 5.031 ( 0.918 -2.272 0.000) 2.450 5.205 ( -0.579 0.493 -0.000) 0.760 5.364 ( -4.107 -2.054 0.000) 4.592 5.411 ( 3.080 7.266 -0.000) 7.892 5.583 ( -1.930 -5.202 0.000) 5.548 5.673 ( -1.750 0.362 0.000) 1.787 5.813 ( -0.273 2.104 -0.000) 2.122 5.912 ( 0.722 -3.293 0.000) 3.371 6.045 ( 0.530 -3.837 0.000) 3.873 6.297 ( -0.259 0.521 -0.000) 0.582 6.316 ( -0.207 -1.348 0.000) 1.364 6.914 ( 3.041 0.653 -0.000) 3.110 6.980 ( 0.617 0.886 -0.000) 1.080 9.311 ( -0.508 -0.331 0.000) 0.607 9.371 ( -1.428 0.287 0.000) 1.456 11.645 ( 2.801 -1.801 0.000) 3.330 11.767 ( 1.405 0.356 -0.000) 1.450 11.860 ( -0.538 0.190 0.000) 0.571 11.965 ( -1.254 2.860 -0.000) 3.123 ======================= Grid point 122 (48/125) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 3.449 0.000 -1.731) 3.859 1.291 ( 0.995 -0.000 5.136) 5.231 1.472 ( 0.620 -0.000 9.182) 9.202 1.633 ( -1.052 -0.000 3.860) 4.000 1.974 ( 0.199 0.000 -3.095) 3.102 2.058 ( -3.999 -0.000 1.247) 4.189 2.078 ( 5.874 0.000 2.467) 6.371 2.178 ( -0.924 -0.000 -0.372) 0.996 2.304 ( 2.694 0.000 0.420) 2.726 2.424 ( -2.097 0.000 -3.196) 3.823 2.529 ( 5.095 0.000 -2.171) 5.538 2.713 ( -2.762 -0.000 5.580) 6.226 2.745 ( -1.910 -0.000 5.341) 5.673 2.833 ( -5.413 -0.000 -0.574) 5.444 3.025 ( 3.525 0.000 -5.758) 6.751 3.069 ( -1.414 -0.000 0.622) 1.545 3.427 ( 3.010 -0.000 9.375) 9.846 3.699 ( -2.340 -0.000 3.379) 4.110 3.913 ( 3.579 0.000 3.238) 4.826 3.984 ( 0.257 0.000 -3.898) 3.907 4.480 ( -0.340 0.000 -4.118) 4.132 4.869 ( -5.788 -0.000 -2.983) 6.511 4.949 ( 0.601 -0.000 2.861) 2.923 4.994 ( 1.908 0.000 -0.562) 1.989 5.231 ( 2.516 0.000 1.735) 3.056 5.296 ( -1.791 -0.000 -0.751) 1.942 5.328 ( -2.981 0.000 -3.836) 4.858 5.370 ( 0.896 0.000 -1.369) 1.636 5.670 ( -1.835 -0.000 0.632) 1.941 5.761 ( 0.070 0.000 -0.462) 0.467 5.776 ( 4.549 0.000 0.812) 4.621 6.076 ( -2.127 0.000 -3.639) 4.215 6.393 ( -1.082 -0.000 -0.540) 1.210 6.417 ( -0.218 -0.000 1.480) 1.496 6.872 ( 2.474 0.000 1.447) 2.866 6.971 ( -0.181 0.000 -0.430) 0.467 9.330 ( -0.148 -0.000 0.218) 0.263 9.353 ( -0.217 0.000 -1.071) 1.092 11.650 ( 0.978 -0.000 1.303) 1.629 11.742 ( 0.414 0.000 0.224) 0.471 11.779 ( -1.095 -0.000 -0.252) 1.124 11.907 ( 0.636 0.000 0.011) 0.636 ======================= Grid point 124 (49/125) ======================= q-point: (-0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 0.000 4.569 0.440) 4.591 1.321 ( 0.000 2.375 -2.280) 3.292 1.577 ( -0.000 -0.535 -3.930) 3.966 1.747 ( -0.000 -0.129 0.244) 0.276 1.917 ( -0.000 -10.079 1.702) 10.222 2.050 ( -0.000 -7.393 0.288) 7.399 2.145 ( 0.000 3.079 -1.476) 3.415 2.206 ( 0.000 3.907 0.416) 3.929 2.244 ( 0.000 8.444 -2.774) 8.888 2.332 ( -0.000 -0.082 -0.488) 0.494 2.474 ( 0.000 1.742 -0.992) 2.005 2.585 ( 0.000 0.254 -7.829) 7.833 2.700 ( -0.000 -1.990 -9.083) 9.298 2.895 ( -0.000 -3.643 0.390) 3.664 2.962 ( 0.000 0.174 2.991) 2.996 2.964 ( 0.000 0.192 -5.793) 5.796 3.436 ( -0.000 -0.924 -8.344) 8.395 3.576 ( 0.000 0.110 -7.537) 7.538 3.930 ( 0.000 2.323 0.452) 2.366 4.005 ( 0.000 2.119 2.461) 3.248 4.545 ( 0.000 0.524 4.454) 4.485 4.796 ( -0.000 -2.925 0.076) 2.926 4.966 ( -0.000 -0.527 -0.172) 0.554 5.035 ( 0.000 0.490 0.885) 1.012 5.281 ( -0.000 -2.729 1.920) 3.337 5.296 ( -0.000 -2.993 1.304) 3.264 5.360 ( 0.000 2.978 2.138) 3.666 5.398 ( 0.000 2.413 3.029) 3.873 5.682 ( -0.000 -0.333 -0.861) 0.923 5.707 ( -0.000 -2.471 -0.277) 2.486 5.851 ( 0.000 3.264 3.254) 4.609 5.998 ( 0.000 0.270 -0.774) 0.819 6.368 ( -0.000 -1.242 -0.915) 1.543 6.426 ( -0.000 -1.123 -0.815) 1.387 6.931 ( 0.000 0.928 1.531) 1.790 6.947 ( 0.000 0.892 -1.011) 1.348 9.318 ( 0.000 0.052 -0.607) 0.609 9.333 ( -0.000 -0.116 -0.046) 0.125 11.697 ( 0.000 0.454 1.337) 1.412 11.769 ( -0.000 -0.350 1.285) 1.332 11.790 ( 0.000 0.615 0.116) 0.626 11.901 ( -0.000 -0.529 0.114) 0.541 ======================= Grid point 126 (50/125) ======================= q-point: (-0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 2.913 4.908 1.086) 5.809 1.282 ( -1.501 2.461 -2.713) 3.959 1.529 ( 5.253 -1.594 -0.534) 5.515 1.693 ( -0.099 -2.000 -3.174) 3.753 1.878 ( 1.157 -4.665 -0.422) 4.825 1.994 ( -1.647 -6.059 -2.852) 6.897 2.070 ( -2.708 0.193 -6.373) 6.927 2.178 ( 6.242 2.150 -4.428) 7.949 2.245 ( -0.223 4.876 -5.969) 7.711 2.298 ( -3.289 3.604 -4.482) 6.626 2.446 ( 1.749 -4.039 -1.409) 4.621 2.514 ( -1.778 0.716 -0.511) 1.984 2.618 ( -2.869 1.403 1.508) 3.532 2.821 ( 3.450 -2.487 -4.280) 6.033 2.884 ( -3.831 0.994 -4.535) 6.020 2.984 ( 0.595 -0.382 -0.912) 1.154 3.279 ( 0.670 -0.937 -5.881) 5.993 3.445 ( 1.824 0.257 -6.191) 6.460 3.967 ( 0.724 2.828 1.694) 3.375 4.057 ( -1.192 2.825 1.081) 3.251 4.622 ( 0.456 0.360 3.827) 3.871 4.780 ( 0.353 -1.924 -0.134) 1.960 4.965 ( -1.002 -1.067 0.047) 1.465 5.042 ( -0.695 -0.531 -0.207) 0.899 5.275 ( 2.565 -3.206 0.959) 4.216 5.314 ( -2.013 -3.736 1.522) 4.509 5.409 ( 3.006 2.889 2.168) 4.699 5.482 ( -2.715 2.664 2.999) 4.844 5.663 ( 0.880 -1.171 -0.209) 1.479 5.700 ( -2.038 -1.351 0.067) 2.446 5.934 ( -0.545 1.928 3.468) 4.005 6.002 ( 0.274 0.441 1.121) 1.236 6.340 ( 0.299 -1.559 -1.015) 1.884 6.394 ( -0.439 -1.633 -1.816) 2.481 6.939 ( 0.352 1.678 -0.500) 1.786 6.956 ( -0.027 1.388 0.400) 1.445 9.313 ( -0.188 0.047 -0.160) 0.251 9.331 ( -0.353 -0.122 -0.188) 0.418 11.722 ( 0.448 0.386 1.180) 1.320 11.777 ( 0.588 -0.045 0.036) 0.590 11.809 ( 0.296 0.418 1.725) 1.800 11.900 ( -0.525 -0.502 -0.097) 0.733 ======================= Grid point 127 (51/125) ======================= q-point: (-0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 11.199 0.395 -2.459) 11.473 1.277 ( 5.790 -0.737 -3.382) 6.746 1.431 ( 1.241 -1.792 -0.638) 2.272 1.665 ( -3.020 -2.337 -0.143) 3.821 1.836 ( 2.075 -0.075 -1.417) 2.514 1.902 ( 1.064 1.826 -4.463) 4.938 1.964 ( 8.969 0.770 -6.155) 10.905 2.070 ( -7.109 -2.133 -2.537) 7.844 2.150 ( -1.670 0.506 -6.409) 6.642 2.263 ( -1.978 1.278 -2.594) 3.504 2.380 ( 1.691 -4.520 -0.352) 4.839 2.585 ( -0.677 0.964 4.148) 4.312 2.690 ( 0.488 0.613 0.023) 0.783 2.729 ( 0.580 -0.899 0.625) 1.239 2.858 ( -5.199 2.146 -3.227) 6.484 2.922 ( -0.689 0.723 -4.456) 4.567 3.228 ( 1.779 -0.437 0.169) 1.840 3.340 ( 1.576 0.884 -3.778) 4.188 3.993 ( 2.837 1.161 0.937) 3.206 4.102 ( -3.034 3.459 0.201) 4.605 4.681 ( 0.107 -0.398 2.901) 2.930 4.764 ( -0.911 -0.911 -0.890) 1.566 4.964 ( 0.093 -1.957 0.371) 1.994 5.040 ( -1.821 -0.515 -0.506) 1.959 5.245 ( 2.254 -2.785 -0.051) 3.584 5.328 ( -2.149 -3.763 0.882) 4.422 5.422 ( 3.854 2.374 0.310) 4.538 5.567 ( -3.405 1.666 2.091) 4.330 5.648 ( 0.678 -2.000 0.206) 2.122 5.722 ( -3.007 0.396 0.416) 3.061 5.982 ( 1.914 -0.462 1.717) 2.613 6.043 ( -1.213 0.670 2.123) 2.535 6.313 ( 0.479 -1.249 -0.607) 1.469 6.352 ( -0.733 -1.621 -1.991) 2.669 6.942 ( 1.068 1.904 0.041) 2.183 6.965 ( 0.203 1.810 -0.321) 1.849 9.312 ( -0.105 -0.271 -0.013) 0.291 9.334 ( -1.075 0.182 -0.115) 1.096 11.730 ( 2.063 -0.454 0.516) 2.175 11.774 ( 0.518 0.878 0.034) 1.020 11.842 ( 0.222 -0.131 1.733) 1.752 11.901 ( -1.097 0.275 -0.295) 1.169 ======================= Grid point 128 (52/125) ======================= q-point: (-0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 14.961 -0.982 -0.000) 14.993 1.079 ( 16.438 -7.883 0.000) 18.230 1.494 ( -6.922 2.838 -0.000) 7.481 1.660 ( 1.736 -0.565 -0.000) 1.826 1.776 ( 16.348 -3.970 -0.000) 16.823 1.811 ( 1.606 -2.147 0.000) 2.681 1.898 ( -2.483 5.962 -0.000) 6.458 2.038 ( 5.129 -0.715 -0.000) 5.178 2.120 ( -7.822 -5.395 0.000) 9.502 2.262 ( -4.074 -1.680 0.000) 4.407 2.389 ( -6.481 2.967 -0.000) 7.128 2.643 ( 0.622 0.238 -0.000) 0.666 2.649 ( 1.031 1.615 -0.000) 1.916 2.758 ( 2.196 -1.298 0.000) 2.551 2.832 ( 0.277 0.182 -0.000) 0.331 2.943 ( -8.745 4.723 -0.000) 9.939 3.197 ( 4.092 -2.431 0.000) 4.759 3.318 ( -0.126 2.909 -0.000) 2.912 3.974 ( 4.398 -0.596 -0.000) 4.438 4.151 ( -3.854 3.218 -0.000) 5.021 4.711 ( -1.252 -1.425 0.000) 1.896 4.757 ( -1.166 -0.084 0.000) 1.169 4.949 ( 0.912 -2.475 0.000) 2.637 5.048 ( -1.651 -0.732 0.000) 1.807 5.214 ( 1.227 -1.826 0.000) 2.201 5.334 ( -2.684 -2.802 0.000) 3.881 5.406 ( 3.736 2.835 -0.000) 4.690 5.615 ( -1.161 -1.203 0.000) 1.672 5.638 ( -1.897 -0.985 0.000) 2.138 5.757 ( -3.101 1.532 -0.000) 3.459 5.972 ( 2.718 -1.498 0.000) 3.103 6.073 ( -0.855 -0.824 0.000) 1.188 6.297 ( 0.466 -0.710 0.000) 0.849 6.327 ( -0.661 -1.341 0.000) 1.495 6.941 ( 2.008 1.420 -0.000) 2.459 6.971 ( 0.386 1.896 -0.000) 1.935 9.311 ( -0.209 -0.440 0.000) 0.487 9.344 ( -1.440 0.343 0.000) 1.480 11.708 ( 2.902 -1.176 0.000) 3.131 11.777 ( 0.923 1.141 -0.000) 1.467 11.856 ( -0.106 -0.569 0.000) 0.578 11.915 ( -1.547 1.629 -0.000) 2.247 ======================= Grid point 132 (53/125) ======================= q-point: ( 0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 2.896 -1.762 -3.296) 4.728 1.313 ( -1.627 -0.919 -0.922) 2.084 1.607 ( -2.842 3.476 4.249) 6.182 1.696 ( 1.962 2.250 1.884) 3.530 1.906 ( -1.098 1.278 -2.222) 2.789 2.015 ( -4.688 -6.228 -1.177) 7.883 2.152 ( 2.240 3.168 -0.113) 3.881 2.190 ( 0.889 -2.084 1.862) 2.933 2.324 ( -0.157 0.879 -3.100) 3.226 2.336 ( 2.529 -1.868 -1.937) 3.693 2.539 ( 4.991 -0.973 -1.775) 5.386 2.715 ( -0.962 0.256 -2.039) 2.269 2.805 ( -2.685 3.879 2.895) 5.535 2.840 ( -2.008 -1.393 2.911) 3.801 2.952 ( 2.733 1.277 -3.932) 4.956 3.047 ( -0.632 -1.207 -2.419) 2.777 3.518 ( -0.203 0.653 -1.573) 1.715 3.644 ( -4.196 -0.815 -6.320) 7.630 3.934 ( 0.478 0.084 -1.441) 1.520 3.985 ( 2.328 -0.994 1.783) 3.096 4.467 ( -0.085 -0.387 2.314) 2.348 4.772 ( -4.330 1.598 -1.560) 4.872 4.997 ( 1.258 1.339 1.970) 2.694 5.022 ( 1.781 -1.915 0.980) 2.793 5.248 ( -1.238 1.267 -0.401) 1.816 5.269 ( -2.890 -0.986 -0.523) 3.098 5.297 ( 0.968 0.403 2.109) 2.355 5.380 ( 0.695 -0.508 1.426) 1.666 5.673 ( -0.038 0.191 0.441) 0.482 5.763 ( 1.928 0.959 0.265) 2.170 5.841 ( 4.072 -1.121 2.090) 4.713 6.000 ( -2.132 -0.468 -2.704) 3.475 6.375 ( -0.933 0.444 -0.519) 1.157 6.436 ( -0.020 0.237 0.711) 0.750 6.913 ( 1.426 -0.206 1.217) 1.886 6.957 ( -0.344 -0.201 -0.883) 0.968 9.333 ( 0.042 0.174 0.052) 0.186 9.337 ( 0.221 -0.153 -0.500) 0.567 11.679 ( 0.813 -0.157 1.070) 1.353 11.753 ( 0.292 0.148 0.635) 0.715 11.765 ( -1.466 -0.191 -0.183) 1.489 11.910 ( 0.213 0.127 0.016) 0.249 ======================= Grid point 133 (54/125) ======================= q-point: (-0.67 -0.56 -0.89) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 1.165 0.000 -0.184) 1.179 1.302 ( -0.832 0.000 -1.241) 1.494 1.592 ( 1.783 0.000 -6.028) 6.286 1.699 ( -5.530 -0.000 -0.637) 5.566 1.995 ( -4.376 -0.000 -1.250) 4.551 2.014 ( -5.433 -0.000 4.669) 7.163 2.131 ( 2.575 0.000 -0.762) 2.686 2.209 ( 0.447 0.000 0.332) 0.557 2.239 ( 4.613 0.000 -4.607) 6.519 2.285 ( -1.397 0.000 -1.925) 2.378 2.483 ( 3.014 0.000 -0.494) 3.054 2.634 ( 4.322 0.000 -4.677) 6.368 2.728 ( 1.864 0.000 -9.552) 9.733 2.918 ( -0.189 0.000 -0.944) 0.963 2.920 ( -3.203 -0.000 0.391) 3.227 2.981 ( 0.921 0.000 -2.482) 2.647 3.430 ( -1.685 0.000 -8.450) 8.616 3.535 ( -4.887 0.000 -7.912) 9.299 3.921 ( 0.702 0.000 0.547) 0.890 4.005 ( 1.626 -0.000 2.148) 2.694 4.537 ( -0.621 -0.000 4.442) 4.485 4.789 ( -2.887 -0.000 -0.249) 2.898 4.999 ( 3.032 0.000 0.025) 3.033 5.037 ( 0.805 -0.000 1.633) 1.821 5.283 ( -2.026 -0.000 1.919) 2.790 5.286 ( -3.816 -0.000 0.360) 3.833 5.340 ( 1.275 -0.000 3.122) 3.372 5.410 ( 2.145 -0.000 2.976) 3.669 5.676 ( -0.438 -0.000 -0.333) 0.550 5.746 ( 2.605 0.000 -0.557) 2.664 5.858 ( 3.487 0.000 3.490) 4.933 5.982 ( -1.805 -0.000 -0.680) 1.929 6.370 ( -0.775 -0.000 -0.884) 1.175 6.436 ( 0.452 0.000 -0.604) 0.754 6.929 ( 0.451 -0.000 1.201) 1.283 6.939 ( -0.182 0.000 -1.153) 1.167 9.322 ( 0.482 0.000 -0.520) 0.709 9.335 ( 0.191 0.000 0.044) 0.196 11.696 ( 0.221 -0.000 1.225) 1.245 11.772 ( -0.052 -0.000 1.482) 1.483 11.773 ( -1.429 -0.000 -0.145) 1.437 11.909 ( 0.370 0.000 0.005) 0.370 ======================= Grid point 136 (55/125) ======================= q-point: (-0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 0.000 3.730 1.857) 4.167 1.211 ( -0.000 2.069 -2.124) 2.966 1.594 ( 0.000 -5.222 1.982) 5.585 1.663 ( -0.000 -6.488 -2.538) 6.967 1.832 ( -0.000 4.401 -4.485) 6.283 1.898 ( -0.000 2.640 -7.273) 7.737 1.999 ( -0.000 -2.997 -0.225) 3.006 2.072 ( 0.000 -1.709 -7.091) 7.294 2.117 ( -0.000 2.078 -5.668) 6.037 2.155 ( -0.000 2.827 -4.859) 5.622 2.538 ( 0.000 -4.207 5.288) 6.757 2.542 ( -0.000 0.805 4.322) 4.397 2.672 ( -0.000 -0.360 3.702) 3.719 2.765 ( -0.000 3.362 -2.465) 4.169 2.773 ( -0.000 -1.965 -5.539) 5.878 2.924 ( -0.000 0.257 -5.184) 5.191 3.241 ( -0.000 -0.225 0.227) 0.319 3.350 ( -0.000 0.341 -4.966) 4.978 3.990 ( -0.000 1.988 2.088) 2.883 4.042 ( -0.000 1.854 -0.444) 1.906 4.686 ( -0.000 -0.181 3.183) 3.189 4.774 ( -0.000 -1.081 -1.635) 1.960 4.973 ( -0.000 -0.430 0.948) 1.040 5.028 ( -0.000 -0.367 -1.389) 1.437 5.336 ( -0.000 -4.389 0.993) 4.500 5.346 ( -0.000 -4.777 0.607) 4.816 5.447 ( 0.000 3.279 1.893) 3.786 5.475 ( -0.000 3.435 0.527) 3.475 5.677 ( -0.000 -0.489 0.650) 0.813 5.697 ( -0.000 -0.819 -0.307) 0.875 5.991 ( -0.000 0.774 3.548) 3.631 6.027 ( -0.000 0.045 1.344) 1.345 6.334 ( -0.000 -1.132 -0.617) 1.289 6.364 ( -0.000 -1.053 -2.081) 2.332 6.925 ( -0.000 1.608 0.084) 1.610 6.946 ( -0.000 1.308 -0.585) 1.433 9.312 ( -0.000 0.045 0.214) 0.219 9.325 ( -0.000 -0.098 -0.379) 0.391 11.743 ( -0.000 0.274 1.155) 1.188 11.774 ( -0.000 0.086 -0.515) 0.522 11.843 ( -0.000 0.150 1.942) 1.948 11.893 ( -0.000 -0.208 -0.717) 0.747 ======================= Grid point 138 (56/125) ======================= q-point: (-0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 9.441 0.780 -0.000) 9.473 1.251 ( -3.422 4.797 -0.000) 5.893 1.477 ( 8.975 -8.434 0.000) 12.316 1.648 ( -10.727 -7.475 0.000) 13.074 1.810 ( 8.124 7.664 -0.000) 11.169 1.901 ( 6.761 -1.415 -0.000) 6.908 1.939 ( -5.462 4.875 -0.000) 7.321 2.027 ( 8.561 2.641 -0.000) 8.960 2.041 ( -9.961 -4.780 0.000) 11.048 2.165 ( -8.617 2.631 0.000) 9.010 2.502 ( 11.141 -7.257 0.000) 13.296 2.637 ( -3.272 -1.528 0.000) 3.611 2.668 ( 1.915 0.169 -0.000) 1.922 2.721 ( -6.756 1.720 0.000) 6.972 2.821 ( 1.394 1.908 -0.000) 2.363 2.836 ( -0.635 0.966 -0.000) 1.157 3.262 ( 2.301 -0.216 -0.000) 2.311 3.288 ( -0.981 1.024 -0.000) 1.418 4.018 ( 2.310 1.266 -0.000) 2.635 4.057 ( -2.916 3.075 -0.000) 4.238 4.726 ( 0.574 -1.250 0.000) 1.376 4.740 ( -1.160 -0.459 0.000) 1.247 4.986 ( 0.879 -1.183 0.000) 1.474 5.012 ( -2.486 0.113 0.000) 2.489 5.290 ( 3.650 -4.209 0.000) 5.571 5.344 ( -3.168 -4.985 0.000) 5.906 5.446 ( 5.586 2.587 -0.000) 6.156 5.534 ( -5.475 2.853 -0.000) 6.174 5.672 ( 1.529 -1.456 0.000) 2.111 5.702 ( -2.262 0.256 0.000) 2.277 6.020 ( 1.966 -0.449 -0.000) 2.017 6.049 ( -1.769 0.654 -0.000) 1.886 6.323 ( 0.723 -1.411 0.000) 1.585 6.332 ( -0.529 -1.123 0.000) 1.241 6.940 ( 0.697 1.831 -0.000) 1.959 6.946 ( -0.188 2.093 -0.000) 2.101 9.315 ( 0.191 -0.230 0.000) 0.299 9.323 ( -0.840 0.154 0.000) 0.854 11.753 ( 1.683 -0.197 -0.000) 1.695 11.769 ( -0.307 0.727 -0.000) 0.789 11.868 ( 0.628 -0.408 0.000) 0.749 11.882 ( -1.090 0.422 -0.000) 1.169 ======================= Grid point 143 (57/125) ======================= q-point: ( 0.22 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 0.419 -1.766 -2.792) 3.330 1.287 ( -2.537 -2.091 -0.370) 3.308 1.499 ( -4.263 9.122 -5.893) 11.667 1.715 ( 0.286 -2.731 -1.682) 3.220 1.840 ( -3.310 2.554 -1.814) 4.558 2.043 ( -4.802 -7.054 -0.944) 8.586 2.123 ( -2.170 1.232 -1.124) 2.737 2.162 ( 0.710 0.467 -0.898) 1.236 2.324 ( 3.909 -1.317 -3.511) 5.416 2.351 ( 4.558 -1.124 1.387) 4.896 2.536 ( 3.383 1.039 -2.972) 4.621 2.649 ( -0.066 3.631 -5.037) 6.210 2.740 ( 0.832 1.757 -4.188) 4.617 2.849 ( -1.551 2.358 -0.908) 2.965 2.952 ( 1.663 -1.276 0.995) 2.320 3.003 ( 1.056 -2.644 -3.098) 4.208 3.376 ( -4.043 1.846 -8.856) 9.909 3.473 ( -5.035 -3.673 -9.079) 11.012 3.933 ( 0.469 0.299 0.583) 0.806 4.040 ( 0.909 -1.699 2.234) 2.950 4.533 ( 0.072 -0.568 4.059) 4.099 4.741 ( -2.575 0.182 1.089) 2.802 5.019 ( 1.465 2.469 0.437) 2.904 5.062 ( 1.448 -0.569 0.947) 1.822 5.231 ( -1.678 0.477 -0.203) 1.756 5.267 ( -1.651 -1.111 1.874) 2.733 5.347 ( 0.839 0.941 2.815) 3.085 5.433 ( -0.250 -1.103 3.554) 3.729 5.681 ( 1.645 0.855 0.089) 1.856 5.785 ( 4.191 2.336 0.630) 4.840 5.905 ( 0.415 0.895 1.938) 2.175 5.973 ( 0.607 -3.229 0.045) 3.286 6.352 ( -0.672 0.599 -0.981) 1.331 6.438 ( 0.410 0.768 -0.244) 0.904 6.927 ( -0.816 0.373 -0.308) 0.949 6.949 ( 0.335 -1.193 -0.080) 1.242 9.328 ( 0.511 0.348 -0.241) 0.663 9.342 ( 0.545 -0.343 0.222) 0.681 11.699 ( 0.158 0.513 0.682) 0.868 11.750 ( -1.216 -0.128 0.011) 1.223 11.773 ( -0.016 -0.225 1.134) 1.156 11.908 ( -0.470 -0.062 -0.073) 0.480 ======================= Grid point 144 (58/125) ======================= q-point: ( 0.33 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -1.154 0.754 0.382) 1.431 1.282 ( 0.742 -1.175 -0.981) 1.700 1.482 ( -4.831 5.203 -3.585) 7.954 1.621 ( -5.783 -5.896 -3.495) 8.968 1.895 ( -4.301 6.396 -2.785) 8.195 1.981 ( -7.037 -5.147 -6.386) 10.807 2.092 ( 1.255 3.816 -5.236) 6.600 2.158 ( -0.822 -3.445 -1.361) 3.794 2.215 ( 5.477 -0.028 -1.622) 5.713 2.313 ( 4.869 -1.451 -1.867) 5.412 2.489 ( 0.945 3.745 -0.972) 3.983 2.552 ( 1.615 0.165 -4.621) 4.898 2.664 ( 3.970 -0.179 0.007) 3.974 2.811 ( -1.847 2.451 -5.694) 6.468 2.886 ( 1.351 -4.536 -4.552) 6.567 2.972 ( -1.180 0.277 -1.204) 1.708 3.270 ( -1.972 0.692 -5.336) 5.731 3.378 ( -5.623 -0.813 -4.938) 7.527 3.953 ( 1.001 0.240 1.960) 2.214 4.051 ( 1.582 -1.598 1.125) 2.515 4.612 ( -0.507 -0.048 4.387) 4.416 4.772 ( -1.804 0.037 0.275) 1.825 5.016 ( 2.617 1.231 -0.108) 2.894 5.065 ( 1.661 0.160 0.402) 1.716 5.255 ( -4.114 0.920 0.116) 4.217 5.306 ( -2.227 -0.971 1.337) 2.773 5.403 ( 1.065 1.640 3.163) 3.718 5.488 ( 1.347 -1.723 3.378) 4.024 5.673 ( 1.096 0.532 0.078) 1.221 5.758 ( 4.384 0.779 -0.793) 4.522 5.945 ( 2.161 0.237 3.272) 3.928 5.982 ( -1.217 -0.979 1.997) 2.536 6.343 ( -1.059 0.505 -1.142) 1.637 6.418 ( 0.877 0.485 -1.856) 2.110 6.920 ( -0.373 -0.278 -0.731) 0.866 6.943 ( -0.108 -0.681 0.011) 0.690 9.321 ( 0.811 0.165 -0.076) 0.831 9.338 ( 0.546 -0.146 -0.073) 0.570 11.716 ( -0.167 0.237 0.930) 0.974 11.759 ( -1.432 -0.112 -0.121) 1.441 11.802 ( -0.362 -0.128 1.926) 1.964 11.907 ( -0.100 -0.053 -0.317) 0.337 ======================= Grid point 145 (59/125) ======================= q-point: (-0.56 -0.44 -0.89) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -1.813 0.000 1.728) 2.505 1.214 ( 2.069 -0.000 -3.237) 3.842 1.541 ( -9.271 0.000 1.354) 9.370 1.617 ( -9.299 -0.000 -2.697) 9.683 1.838 ( 2.196 0.000 -3.559) 4.182 1.904 ( -4.472 -0.000 -5.154) 6.824 2.006 ( -0.485 -0.000 -4.880) 4.905 2.012 ( 2.564 0.000 -8.217) 8.608 2.163 ( 6.834 0.000 -0.428) 6.848 2.233 ( 5.402 0.000 -3.541) 6.459 2.531 ( -0.355 0.000 3.459) 3.477 2.546 ( -2.086 -0.000 4.179) 4.670 2.692 ( 0.127 -0.000 3.671) 3.674 2.722 ( -1.073 0.000 -5.400) 5.506 2.783 ( 0.076 0.000 -4.155) 4.156 2.918 ( -0.525 0.000 -5.122) 5.149 3.240 ( -0.464 0.000 0.204) 0.507 3.330 ( -2.269 0.000 -3.985) 4.586 3.985 ( 1.082 0.000 2.257) 2.503 4.040 ( 1.275 0.000 -0.418) 1.342 4.688 ( 0.029 0.000 3.610) 3.610 4.774 ( -0.630 0.000 -1.138) 1.300 5.001 ( 2.778 0.000 0.584) 2.839 5.044 ( 1.830 0.000 -1.150) 2.162 5.308 ( -6.001 0.000 0.799) 6.054 5.336 ( -4.009 0.000 -0.047) 4.009 5.454 ( 2.602 -0.000 2.713) 3.760 5.498 ( 4.012 0.000 0.753) 4.082 5.680 ( 0.270 0.000 0.882) 0.922 5.717 ( 2.128 0.000 -0.950) 2.330 5.996 ( 1.236 0.000 3.372) 3.591 6.024 ( -0.361 0.000 1.738) 1.775 6.335 ( -0.853 0.000 -0.607) 1.047 6.373 ( 0.351 0.000 -2.389) 2.414 6.913 ( -0.123 0.000 0.034) 0.128 6.936 ( -0.204 0.000 -0.704) 0.733 9.317 ( 0.683 0.000 0.220) 0.718 9.330 ( 0.492 0.000 -0.341) 0.598 11.737 ( -0.531 0.000 1.013) 1.144 11.764 ( -1.151 0.000 -0.446) 1.234 11.841 ( -0.209 0.000 2.049) 2.060 11.896 ( 0.091 0.000 -0.869) 0.874 ======================= Grid point 154 (60/125) ======================= q-point: ( 0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -4.657 5.702 -6.356) 9.726 1.242 ( -7.727 7.695 -6.300) 12.594 1.353 ( -1.241 -3.176 2.027) 3.967 1.673 ( -2.783 -6.196 -5.287) 8.607 1.775 ( -1.689 1.530 -1.824) 2.919 1.920 ( -4.802 1.011 -6.353) 8.028 2.061 ( -0.429 3.357 -8.788) 9.417 2.182 ( -4.327 -1.278 -0.425) 4.531 2.280 ( 4.156 0.020 -0.422) 4.177 2.381 ( 5.229 1.262 -6.383) 8.347 2.458 ( 2.281 0.677 1.144) 2.640 2.580 ( 2.319 0.326 -1.968) 3.059 2.685 ( -0.558 0.306 -2.731) 2.804 2.777 ( 0.764 1.892 -3.718) 4.241 2.942 ( -1.125 0.281 -2.666) 2.907 3.022 ( 4.443 -7.188 -2.250) 8.745 3.206 ( -4.474 2.034 -3.841) 6.237 3.326 ( -4.389 -4.017 -4.931) 7.727 3.939 ( -0.638 2.827 0.965) 3.054 4.106 ( 0.994 -3.231 2.594) 4.261 4.616 ( 0.813 -0.782 4.260) 4.407 4.753 ( -1.450 -1.032 1.386) 2.255 5.012 ( 1.200 3.368 0.054) 3.576 5.082 ( 1.561 1.266 0.282) 2.030 5.204 ( -2.613 -0.245 -0.817) 2.749 5.302 ( -0.216 -1.665 1.044) 1.978 5.393 ( 0.776 1.283 2.254) 2.707 5.508 ( -1.485 -1.770 4.140) 4.740 5.693 ( 3.216 2.044 0.289) 3.821 5.814 ( 5.009 2.686 0.301) 5.691 5.919 ( -2.252 2.057 2.461) 3.919 6.033 ( 3.090 -3.157 1.604) 4.700 6.324 ( -0.333 0.287 -1.395) 1.463 6.422 ( 0.792 0.957 -1.555) 1.990 6.905 ( -1.874 0.222 -0.438) 1.937 6.957 ( -0.060 -1.429 -0.281) 1.458 9.327 ( 0.637 0.592 -0.083) 0.873 9.355 ( 0.966 -0.611 0.221) 1.164 11.697 ( -0.633 1.864 0.231) 1.982 11.749 ( -0.572 -0.515 0.274) 0.817 11.799 ( -0.405 -0.433 1.648) 1.751 11.902 ( -1.199 -0.700 -0.163) 1.398 ======================= Grid point 155 (61/125) ======================= q-point: ( 0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -5.290 9.460 -1.847) 10.995 1.230 ( -5.142 6.827 -6.474) 10.722 1.387 ( -3.912 -3.819 2.210) 5.897 1.560 ( -6.434 -9.212 -3.927) 11.902 1.764 ( -8.370 1.356 -3.284) 9.093 1.854 ( -1.931 -1.124 -5.383) 5.828 1.970 ( 0.822 5.946 -2.828) 6.635 2.136 ( 4.245 0.408 -6.280) 7.591 2.228 ( 0.687 0.853 -2.555) 2.780 2.293 ( 5.442 -0.647 2.043) 5.848 2.468 ( 3.893 3.575 -0.140) 5.287 2.551 ( -1.163 -1.038 1.349) 2.061 2.649 ( -2.446 0.521 -2.393) 3.461 2.745 ( -0.137 -0.127 0.133) 0.230 2.857 ( 2.275 -6.497 -4.199) 8.064 2.907 ( -0.250 -1.874 -4.118) 4.531 3.217 ( -1.793 1.612 0.493) 2.461 3.290 ( -3.036 -0.996 -1.802) 3.668 3.982 ( 0.166 2.855 1.420) 3.193 4.097 ( 2.436 -4.026 0.544) 4.737 4.688 ( 0.445 0.156 4.042) 4.069 4.769 ( -0.265 -0.420 -0.092) 0.506 5.022 ( 2.244 3.092 0.267) 3.830 5.077 ( 2.265 0.746 -0.228) 2.395 5.220 ( -3.976 0.387 0.083) 3.995 5.297 ( -2.872 -1.985 -1.235) 3.704 5.442 ( 1.014 3.720 1.990) 4.339 5.561 ( -0.319 -3.381 2.217) 4.056 5.690 ( 3.038 2.169 0.825) 3.823 5.774 ( 4.944 -0.083 -0.987) 5.043 5.986 ( -0.398 2.562 2.012) 3.282 6.046 ( 1.281 -1.905 2.719) 3.558 6.313 ( -1.141 0.725 -0.628) 1.491 6.378 ( 0.679 0.490 -2.797) 2.920 6.911 ( -1.052 -0.303 -0.070) 1.097 6.941 ( -0.320 -1.450 -0.597) 1.600 9.325 ( 0.755 0.638 0.026) 0.989 9.345 ( 1.046 -0.598 -0.049) 1.206 11.718 ( -0.930 1.482 0.329) 1.781 11.753 ( -0.708 -0.786 0.079) 1.060 11.835 ( -0.688 -0.237 1.966) 2.096 11.897 ( -0.630 -0.809 -0.713) 1.249 ======================= Grid point 156 (62/125) ======================= q-point: ( 0.44 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -3.001 9.380 -0.000) 9.848 1.193 ( -1.662 -4.385 0.000) 4.690 1.447 ( -7.884 4.017 -0.000) 8.848 1.531 ( -10.785 -8.213 0.000) 13.556 1.814 ( -7.362 2.019 0.000) 7.634 1.836 ( -6.718 -1.066 0.000) 6.802 1.938 ( 8.713 5.000 -0.000) 10.045 1.997 ( 7.527 -4.300 0.000) 8.669 2.205 ( 4.402 3.251 -0.000) 5.472 2.249 ( 6.460 -3.630 0.000) 7.410 2.512 ( -2.810 10.545 -0.000) 10.913 2.599 ( -3.943 -3.071 0.000) 4.998 2.639 ( -2.278 1.794 -0.000) 2.900 2.714 ( 0.657 -9.729 0.000) 9.751 2.812 ( 0.556 1.728 -0.000) 1.815 2.831 ( 0.498 -1.455 0.000) 1.538 3.253 ( -1.149 1.842 -0.000) 2.171 3.272 ( -0.966 -1.340 0.000) 1.652 4.013 ( 0.693 2.757 -0.000) 2.843 4.054 ( 2.394 -3.831 0.000) 4.518 4.740 ( 0.431 0.856 -0.000) 0.958 4.749 ( 0.399 -0.637 0.000) 0.751 5.026 ( 2.589 2.554 -0.000) 3.637 5.048 ( 3.057 -1.034 -0.000) 3.227 5.268 ( -4.686 2.425 -0.000) 5.276 5.300 ( -5.679 -2.760 0.000) 6.314 5.481 ( 2.279 5.440 -0.000) 5.898 5.545 ( 2.031 -4.850 0.000) 5.258 5.698 ( 2.064 2.360 -0.000) 3.135 5.724 ( 2.882 -1.706 0.000) 3.349 6.024 ( -0.010 2.503 -0.000) 2.503 6.054 ( 0.987 -2.096 0.000) 2.317 6.328 ( -0.778 1.316 -0.000) 1.529 6.340 ( -0.204 -0.514 0.000) 0.553 6.918 ( -0.586 -0.001 0.000) 0.586 6.925 ( -0.166 -1.255 0.000) 1.266 9.325 ( 0.680 0.628 -0.000) 0.925 9.332 ( 0.960 -0.599 0.000) 1.131 11.739 ( -1.190 1.185 -0.000) 1.679 11.753 ( -0.735 -1.000 0.000) 1.241 11.868 ( -0.479 0.667 -0.000) 0.821 11.879 ( -0.187 -1.113 0.000) 1.128 ======================= Grid point 165 (63/125) ======================= q-point: ( 0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -7.047 13.001 -6.109) 16.000 0.950 ( -10.500 13.743 -9.739) 19.848 1.429 ( -7.220 1.820 -5.124) 9.039 1.485 ( -7.852 0.801 -2.323) 8.227 1.708 ( 1.233 -4.562 -6.013) 7.648 1.810 ( -3.424 1.288 -4.254) 5.611 1.865 ( -3.521 0.551 -0.811) 3.655 2.120 ( 1.534 1.320 -2.486) 3.206 2.304 ( 5.711 -0.019 -3.434) 6.664 2.400 ( 6.157 -0.242 3.513) 7.093 2.525 ( -0.484 -2.838 2.200) 3.623 2.561 ( 5.123 1.867 -2.449) 5.977 2.640 ( -1.339 -3.576 -1.248) 4.017 2.719 ( -0.851 2.453 -1.718) 3.113 2.871 ( -0.573 -0.922 -3.739) 3.893 3.001 ( -3.100 -4.574 -4.318) 7.013 3.173 ( 0.736 -1.501 1.001) 1.949 3.286 ( -1.358 -3.635 -0.310) 3.892 3.925 ( -0.488 5.426 1.057) 5.549 4.176 ( 0.636 -3.755 1.759) 4.195 4.704 ( 1.312 -0.503 3.770) 4.024 4.774 ( -0.468 -1.199 0.770) 1.500 5.003 ( 2.466 4.957 0.245) 5.542 5.078 ( 1.001 2.820 -0.434) 3.024 5.177 ( -2.695 -1.047 0.158) 2.895 5.305 ( -1.404 -3.773 -2.185) 4.581 5.424 ( 1.956 1.925 1.207) 2.999 5.570 ( -2.970 -2.490 2.814) 4.790 5.714 ( 4.628 3.585 0.613) 5.887 5.838 ( 3.950 1.682 0.321) 4.305 5.937 ( -1.070 3.468 2.495) 4.404 6.099 ( 3.615 -1.256 1.239) 4.023 6.297 ( -0.206 -0.281 -1.160) 1.212 6.381 ( 0.875 0.629 -3.065) 3.249 6.882 ( -2.876 0.203 -0.082) 2.885 6.957 ( -0.207 -1.578 -0.475) 1.660 9.327 ( 0.600 0.720 -0.058) 0.939 9.370 ( 1.062 -0.740 0.083) 1.297 11.683 ( 0.068 2.801 0.201) 2.809 11.753 ( -0.456 -0.216 0.223) 0.551 11.830 ( -0.906 -0.861 1.820) 2.208 11.895 ( -2.168 -1.977 -0.137) 2.938 ======================= Grid point 166 (64/125) ======================= q-point: ( 0.33 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -6.598 14.568 -0.000) 15.992 1.004 ( -10.565 14.066 -0.000) 17.592 1.445 ( -6.953 -7.816 0.000) 10.461 1.524 ( -4.167 -8.820 0.000) 9.754 1.644 ( -7.976 7.460 -0.000) 10.921 1.757 ( -3.886 -2.266 0.000) 4.499 1.953 ( -4.160 6.082 -0.000) 7.369 2.050 ( 6.528 2.826 -0.000) 7.113 2.237 ( 4.856 -0.500 -0.000) 4.882 2.395 ( 5.980 -3.823 0.000) 7.097 2.473 ( 7.836 3.899 -0.000) 8.752 2.567 ( -3.977 -2.429 0.000) 4.661 2.607 ( -1.275 -2.559 0.000) 2.859 2.742 ( -2.413 2.026 -0.000) 3.150 2.824 ( -0.289 -1.236 0.000) 1.270 2.922 ( 1.450 -8.728 0.000) 8.848 3.197 ( -2.082 2.247 -0.000) 3.063 3.274 ( -0.874 -2.158 0.000) 2.329 3.970 ( -0.239 4.688 -0.000) 4.694 4.150 ( 2.434 -4.632 0.000) 5.232 4.746 ( 1.285 0.215 -0.000) 1.303 4.762 ( 0.362 -0.583 0.000) 0.686 5.018 ( 2.794 5.199 -0.000) 5.902 5.082 ( 0.946 1.281 -0.000) 1.592 5.200 ( -2.245 0.253 0.000) 2.259 5.267 ( -3.648 -3.989 0.000) 5.405 5.445 ( 1.316 3.840 -0.000) 4.059 5.596 ( -2.016 -3.680 0.000) 4.196 5.710 ( 4.619 3.975 -0.000) 6.094 5.804 ( 4.987 -0.585 -0.000) 5.021 5.983 ( -0.320 3.372 -0.000) 3.387 6.096 ( 1.868 -0.973 0.000) 2.106 6.296 ( -0.956 1.013 -0.000) 1.393 6.343 ( 0.032 -0.011 -0.000) 0.034 6.900 ( -2.010 -0.042 0.000) 2.011 6.943 ( -0.277 -1.855 0.000) 1.876 9.326 ( 0.690 0.800 -0.000) 1.056 9.358 ( 1.179 -0.741 0.000) 1.393 11.702 ( -0.684 2.263 -0.000) 2.364 11.755 ( -0.439 -0.635 0.000) 0.772 11.853 ( -0.788 -0.154 0.000) 0.803 11.890 ( -1.344 -2.370 0.000) 2.725 ======================= Grid point 175 (65/125) ======================= q-point: ( 0.22 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -4.912 18.529 -0.000) 19.169 0.632 ( -10.510 18.890 -0.000) 21.617 1.057 ( -22.297 23.163 -0.000) 32.151 1.560 ( -1.323 -7.505 0.000) 7.621 1.652 ( 1.376 -1.466 0.000) 2.011 1.789 ( -1.652 -8.908 0.000) 9.060 1.857 ( -0.896 0.092 0.000) 0.901 2.123 ( 3.921 -0.055 -0.000) 3.921 2.301 ( 6.053 2.877 -0.000) 6.702 2.475 ( 0.227 -1.402 0.000) 1.420 2.534 ( -0.283 1.068 -0.000) 1.105 2.569 ( 5.850 0.798 -0.000) 5.904 2.659 ( -2.418 -0.458 0.000) 2.461 2.691 ( 2.025 -3.119 0.000) 3.719 2.837 ( 0.386 -0.820 0.000) 0.907 2.923 ( -7.921 0.869 0.000) 7.968 3.221 ( 1.397 -7.456 0.000) 7.585 3.310 ( 0.832 -3.381 0.000) 3.482 3.907 ( 1.956 6.430 -0.000) 6.721 4.217 ( -1.254 -3.831 0.000) 4.031 4.752 ( -0.495 -0.022 0.000) 0.495 4.789 ( 1.697 -0.995 0.000) 1.967 4.992 ( 4.159 7.180 -0.000) 8.298 5.058 ( 0.144 2.403 -0.000) 2.407 5.189 ( -0.651 -1.831 0.000) 1.944 5.265 ( -4.878 -4.329 0.000) 6.522 5.444 ( 3.213 1.620 -0.000) 3.598 5.584 ( -4.195 -2.075 0.000) 4.680 5.732 ( 4.256 3.731 -0.000) 5.660 5.863 ( 3.944 2.646 -0.000) 4.749 5.943 ( -0.400 1.909 -0.000) 1.951 6.147 ( 7.070 1.766 -0.000) 7.287 6.288 ( -0.101 -0.947 0.000) 0.952 6.336 ( -0.059 1.038 -0.000) 1.040 6.855 ( -3.833 0.103 0.000) 3.834 6.960 ( -0.205 -1.423 0.000) 1.437 9.326 ( 0.462 0.671 -0.000) 0.815 9.382 ( 0.801 -0.651 0.000) 1.032 11.675 ( 2.471 3.462 -0.000) 4.254 11.752 ( -0.435 0.069 0.000) 0.440 11.853 ( -0.298 -1.072 0.000) 1.113 11.885 ( -5.136 -3.860 0.000) 6.425 ======================= Grid point 184 (66/125) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 0.000 21.068 -0.000) 21.068 0.579 ( 0.000 22.145 -0.000) 22.145 0.844 ( 0.000 31.459 -0.000) 31.459 1.550 ( -0.000 -8.529 0.000) 8.529 1.657 ( 0.000 0.519 -0.000) 0.519 1.777 ( -0.000 -10.371 0.000) 10.371 1.859 ( -0.000 -2.100 0.000) 2.100 2.149 ( 0.000 0.146 -0.000) 0.146 2.374 ( 0.000 2.280 -0.000) 2.280 2.437 ( -0.000 -4.721 0.000) 4.721 2.530 ( 0.000 2.896 -0.000) 2.896 2.636 ( 0.000 0.018 -0.000) 0.018 2.664 ( 0.000 3.317 -0.000) 3.317 2.707 ( -0.000 -4.918 0.000) 4.918 2.822 ( 0.000 3.497 -0.000) 3.497 2.849 ( -0.000 -1.055 0.000) 1.055 3.225 ( -0.000 -9.620 0.000) 9.620 3.322 ( -0.000 -3.472 0.000) 3.472 3.941 ( 0.000 4.455 -0.000) 4.455 4.191 ( -0.000 -1.246 0.000) 1.246 4.746 ( 0.000 0.156 -0.000) 0.156 4.801 ( -0.000 -1.565 0.000) 1.565 5.029 ( 0.000 6.496 -0.000) 6.496 5.079 ( -0.000 -0.037 0.000) 0.037 5.179 ( -0.000 -3.293 0.000) 3.293 5.210 ( 0.000 0.535 -0.000) 0.535 5.482 ( 0.000 0.697 -0.000) 0.697 5.535 ( -0.000 -1.471 0.000) 1.471 5.765 ( 0.000 3.627 -0.000) 3.627 5.908 ( 0.000 4.800 -0.000) 4.800 5.927 ( -0.000 -0.135 0.000) 0.135 6.240 ( -0.000 -4.354 0.000) 4.354 6.289 ( -0.000 -0.452 0.000) 0.452 6.333 ( -0.000 -0.557 0.000) 0.557 6.812 ( 0.000 2.205 -0.000) 2.205 6.958 ( -0.000 -1.400 0.000) 1.400 9.329 ( 0.000 0.688 -0.000) 0.688 9.388 ( -0.000 -0.694 0.000) 0.694 11.740 ( 0.000 0.806 -0.000) 0.806 11.745 ( 0.000 0.164 -0.000) 0.164 11.797 ( 0.000 0.372 -0.000) 0.372 11.851 ( -0.000 -1.405 0.000) 1.405 ======================= Grid point 185 (67/125) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -0.398 17.316 6.309) 18.433 0.819 ( -6.092 17.509 8.697) 20.477 1.284 ( -6.312 17.552 19.702) 27.131 1.451 ( -0.581 -8.445 -3.816) 9.286 1.729 ( 1.031 -5.505 4.774) 7.359 1.762 ( -2.188 0.621 6.053) 6.466 1.835 ( -0.712 -1.131 -0.613) 1.470 2.132 ( 0.182 0.256 -1.150) 1.192 2.382 ( 4.114 -2.678 1.409) 5.108 2.442 ( -0.675 0.079 1.793) 1.917 2.528 ( 1.900 -0.188 -0.831) 2.082 2.598 ( -1.824 -5.624 -1.774) 6.173 2.668 ( 4.899 3.015 0.955) 5.831 2.709 ( -0.609 1.942 2.341) 3.102 2.871 ( 0.995 -1.364 3.840) 4.195 2.922 ( -5.668 0.239 4.690) 7.361 3.186 ( 0.400 -6.881 1.430) 7.039 3.276 ( -0.100 -3.611 -2.043) 4.150 3.934 ( 0.992 6.568 -2.373) 7.053 4.169 ( -0.939 -2.357 -1.837) 3.132 4.723 ( 1.154 -0.784 -2.233) 2.633 4.761 ( -0.970 -1.500 -2.717) 3.252 5.035 ( 1.267 3.153 -1.250) 3.621 5.101 ( 2.131 2.736 0.697) 3.537 5.137 ( -2.484 -0.078 -0.053) 2.486 5.285 ( -0.950 -3.111 3.442) 4.736 5.461 ( 2.633 0.093 -1.219) 2.903 5.519 ( -3.194 -1.962 -2.214) 4.354 5.775 ( 2.675 4.096 -0.686) 4.940 5.876 ( 0.869 1.755 -2.964) 3.552 5.925 ( -0.377 4.590 -2.156) 5.085 6.162 ( 3.324 -3.080 -1.739) 4.854 6.302 ( 0.733 -0.205 1.791) 1.946 6.390 ( 0.269 -2.225 3.529) 4.181 6.839 ( -2.150 2.009 0.323) 2.960 6.955 ( -0.067 -1.665 0.548) 1.754 9.333 ( 0.257 0.774 0.038) 0.816 9.382 ( 0.428 -0.911 -0.084) 1.010 11.703 ( 2.210 2.880 -1.518) 3.935 11.748 ( -0.346 0.270 -0.261) 0.510 11.808 ( -1.995 -0.290 -0.973) 2.239 11.858 ( -1.702 -1.938 0.760) 2.689 ======================= Grid point 186 (68/125) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -2.022 9.282 7.781) 12.280 1.127 ( -6.531 11.562 9.026) 16.056 1.341 ( -0.615 -5.452 -2.704) 6.117 1.609 ( -4.123 -6.094 7.776) 10.705 1.792 ( 2.187 1.365 0.264) 2.592 1.884 ( 0.170 2.650 8.875) 9.264 2.019 ( -5.102 5.849 13.412) 15.496 2.122 ( -2.528 -0.836 -0.971) 2.834 2.332 ( 2.852 -2.380 -0.640) 3.770 2.454 ( 2.530 -1.955 -0.816) 3.300 2.497 ( 3.824 1.752 2.637) 4.964 2.596 ( -1.041 -2.101 2.063) 3.123 2.688 ( 1.860 2.782 2.194) 4.002 2.786 ( -0.187 1.501 3.671) 3.970 2.934 ( 0.723 -0.738 4.124) 4.252 3.051 ( -2.379 -4.264 5.761) 7.552 3.162 ( 0.731 -0.416 -0.129) 0.851 3.266 ( -3.676 -5.074 4.242) 7.566 3.935 ( 0.083 5.186 -1.275) 5.341 4.111 ( -0.291 -2.889 -3.118) 4.260 4.639 ( 2.211 -1.262 -4.072) 4.803 4.725 ( -2.321 -1.641 -1.992) 3.471 5.027 ( 0.924 2.261 -0.423) 2.478 5.097 ( -0.047 0.202 -0.679) 0.710 5.176 ( -0.578 1.654 1.277) 2.168 5.301 ( -0.259 -2.100 -0.196) 2.125 5.411 ( 1.652 0.058 -2.351) 2.874 5.477 ( -2.354 -1.815 -3.419) 4.531 5.749 ( 3.998 2.526 -1.184) 4.875 5.859 ( -1.355 3.131 -1.168) 3.606 5.899 ( 1.492 3.821 -2.910) 5.029 6.087 ( 3.627 -4.054 -1.373) 5.611 6.329 ( 1.181 -0.110 1.852) 2.200 6.423 ( -0.844 -0.384 1.018) 1.377 6.875 ( -1.893 1.802 0.634) 2.690 6.955 ( -0.085 -1.650 0.504) 1.727 9.336 ( 0.438 0.715 -0.013) 0.839 9.368 ( 0.637 -0.840 -0.389) 1.124 11.695 ( 0.269 2.620 -0.560) 2.693 11.744 ( -0.149 -0.137 -0.352) 0.407 11.795 ( 0.090 -0.371 -0.769) 0.858 11.874 ( -2.328 -1.240 0.357) 2.662 ======================= Grid point 187 (69/125) ======================= q-point: ( 0.56 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 0.015 1.440 5.352) 5.543 1.247 ( -2.394 -2.817 0.220) 3.704 1.438 ( -3.478 9.820 7.389) 12.772 1.707 ( -2.376 -4.082 4.715) 6.674 1.803 ( -0.994 2.637 0.481) 2.859 2.003 ( -0.136 -5.899 2.787) 6.526 2.083 ( -1.931 -0.277 0.094) 1.953 2.183 ( 0.877 -1.808 1.314) 2.401 2.373 ( 2.150 1.315 3.264) 4.124 2.404 ( 2.026 -0.035 -1.207) 2.359 2.578 ( 2.053 3.278 4.737) 6.115 2.644 ( -0.301 2.344 3.171) 3.955 2.743 ( 0.179 2.743 2.620) 3.797 2.832 ( -0.702 0.189 0.185) 0.750 2.981 ( 1.494 -0.313 1.220) 1.954 3.023 ( 1.709 -4.408 -0.604) 4.766 3.305 ( -4.833 2.579 9.999) 11.401 3.408 ( -3.468 -5.386 10.755) 12.518 3.941 ( 0.566 2.128 -0.474) 2.253 4.043 ( -0.342 -1.737 -2.469) 3.038 4.547 ( 1.713 -0.654 -3.755) 4.179 4.700 ( -2.847 -1.191 -1.768) 3.557 5.032 ( 0.439 2.283 -0.364) 2.353 5.079 ( 0.586 -0.834 -0.990) 1.421 5.205 ( -1.205 0.523 0.643) 1.462 5.262 ( 0.499 -1.251 -2.419) 2.769 5.360 ( 0.845 0.562 -2.317) 2.530 5.419 ( -1.376 -1.068 -3.179) 3.625 5.717 ( 2.938 1.289 -0.808) 3.309 5.839 ( 1.326 2.741 -3.377) 4.547 5.891 ( -0.097 3.026 0.530) 3.074 6.009 ( 3.249 -4.508 -1.205) 5.686 6.348 ( 0.345 0.028 1.034) 1.090 6.436 ( -0.889 0.339 -0.270) 0.989 6.911 ( -1.167 1.537 0.792) 2.086 6.953 ( 0.136 -1.457 0.303) 1.494 9.336 ( 0.422 0.523 -0.046) 0.674 9.351 ( 0.517 -0.587 -0.460) 0.908 11.701 ( 0.059 1.636 -0.333) 1.670 11.738 ( -0.425 -0.560 -0.186) 0.728 11.778 ( 0.834 -0.172 -0.496) 0.985 11.890 ( -1.927 -0.477 0.243) 2.000 ======================= Grid point 188 (70/125) ======================= q-point: ( 0.67 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 3.309 -1.146 4.642) 5.815 1.283 ( -2.142 -0.604 2.225) 3.147 1.569 ( -1.771 3.356 -1.489) 4.076 1.736 ( 3.126 6.226 -3.769) 7.921 1.869 ( -4.531 -2.392 5.096) 7.226 1.958 ( -2.692 -6.968 0.545) 7.489 2.158 ( -1.011 2.640 2.032) 3.481 2.188 ( 0.407 -1.769 2.033) 2.726 2.346 ( 3.055 0.914 -0.909) 3.316 2.394 ( 3.491 -1.566 0.632) 3.878 2.614 ( 4.549 0.281 2.107) 5.021 2.696 ( -1.764 0.887 -0.807) 2.133 2.772 ( -1.298 3.723 -2.970) 4.936 2.813 ( -1.227 -2.162 -2.762) 3.716 2.980 ( 0.577 2.205 2.489) 3.375 3.031 ( -1.293 -2.907 1.565) 3.545 3.509 ( -1.042 1.971 5.068) 5.537 3.584 ( -3.400 -2.608 7.804) 8.903 3.945 ( 0.911 0.395 1.269) 1.611 4.010 ( 0.798 -0.402 -0.751) 1.167 4.475 ( 1.290 -0.340 -2.127) 2.510 4.706 ( -4.409 0.206 0.273) 4.423 5.014 ( 1.047 1.326 -2.362) 2.904 5.046 ( 1.139 -1.297 -1.165) 2.082 5.224 ( -1.722 -0.207 -0.601) 1.835 5.234 ( -1.510 -0.058 1.108) 1.874 5.322 ( 1.928 0.574 -1.235) 2.360 5.379 ( -0.562 -0.570 -1.355) 1.574 5.688 ( 1.789 0.419 -1.085) 2.133 5.788 ( 0.975 0.799 -2.264) 2.592 5.898 ( 3.105 1.189 -1.348) 3.588 5.975 ( -0.628 -1.908 2.149) 2.941 6.362 ( -0.616 0.188 0.350) 0.733 6.431 ( -0.743 0.039 -1.113) 1.339 6.931 ( 0.693 0.592 -0.027) 0.912 6.952 ( -0.190 -0.577 0.761) 0.973 9.334 ( 0.121 0.188 -0.307) 0.380 9.340 ( 0.181 -0.200 0.091) 0.285 11.694 ( 1.021 0.257 -0.626) 1.225 11.743 ( -1.142 -0.060 0.325) 1.189 11.763 ( 1.048 -0.057 -0.265) 1.082 11.904 ( -1.139 -0.068 0.141) 1.150 ======================= Grid point 189 (71/125) ======================= q-point: (-0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 5.554 0.000 4.094) 6.900 1.306 ( 0.821 0.000 -1.900) 2.070 1.482 ( 0.777 0.000 -7.482) 7.523 1.628 ( 0.735 0.000 -5.536) 5.585 1.975 ( -1.048 -0.000 2.671) 2.870 1.986 ( -5.399 -0.000 0.138) 5.400 2.169 ( 0.214 0.000 -1.247) 1.265 2.177 ( 6.845 0.000 -0.431) 6.859 2.356 ( 3.805 0.000 -0.822) 3.893 2.381 ( -3.194 -0.000 3.697) 4.886 2.611 ( 5.197 0.000 1.786) 5.495 2.660 ( -3.778 0.000 -5.252) 6.469 2.717 ( -1.454 0.000 -5.244) 5.441 2.769 ( -2.871 -0.000 -1.732) 3.353 3.036 ( -2.883 -0.000 -1.368) 3.191 3.056 ( 0.451 -0.000 3.885) 3.911 3.479 ( 3.573 0.000 -6.730) 7.620 3.662 ( -2.442 -0.000 -1.755) 3.007 3.971 ( 3.692 0.000 -2.099) 4.247 3.990 ( 0.535 -0.000 3.978) 4.013 4.478 ( 0.166 -0.000 3.689) 3.692 4.779 ( -6.057 -0.000 2.440) 6.530 4.962 ( 1.168 0.000 -2.632) 2.879 5.013 ( 0.734 0.000 -0.658) 0.986 5.253 ( -2.078 -0.000 0.273) 2.096 5.271 ( -1.533 -0.000 1.596) 2.213 5.300 ( 1.926 0.000 1.932) 2.729 5.375 ( -0.117 -0.000 0.840) 0.848 5.659 ( 0.280 0.000 -1.167) 1.201 5.760 ( -0.345 0.000 -0.785) 0.858 5.846 ( 4.519 0.000 -0.808) 4.591 6.038 ( -2.596 -0.000 3.101) 4.044 6.374 ( -1.299 -0.000 0.068) 1.301 6.411 ( -0.706 0.000 -1.649) 1.794 6.914 ( 2.657 0.000 -0.342) 2.679 6.968 ( -0.267 -0.000 0.593) 0.651 9.327 ( -0.146 0.000 -0.379) 0.406 9.348 ( -0.393 -0.000 0.628) 0.741 11.670 ( 1.663 0.000 -0.857) 1.871 11.753 ( 1.033 0.000 -0.012) 1.033 11.762 ( -1.146 -0.000 0.644) 1.314 11.911 ( -0.269 -0.000 0.114) 0.292 ======================= Grid point 194 (72/125) ======================= q-point: ( 0.33 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 0.000 6.481 13.517) 14.990 0.905 ( 0.000 13.167 13.998) 19.218 1.412 ( -0.000 -5.837 -4.846) 7.586 1.578 ( 0.000 6.127 16.883) 17.961 1.739 ( 0.000 7.010 4.510) 8.335 1.887 ( 0.000 3.448 6.595) 7.442 1.938 ( -0.000 -6.605 6.399) 9.196 2.135 ( -0.000 -2.918 0.922) 3.060 2.392 ( -0.000 -2.070 -2.623) 3.341 2.477 ( 0.000 1.011 0.270) 1.046 2.544 ( 0.000 1.517 1.841) 2.385 2.579 ( -0.000 -1.704 -0.940) 1.946 2.677 ( 0.000 2.660 0.791) 2.776 2.767 ( 0.000 0.363 4.833) 4.847 2.963 ( -0.000 0.154 4.417) 4.420 3.013 ( -0.000 -1.394 8.011) 8.132 3.225 ( -0.000 -2.137 -5.124) 5.552 3.318 ( -0.000 -8.668 6.989) 11.134 3.862 ( 0.000 6.053 -0.469) 6.071 4.128 ( -0.000 -0.949 -3.311) 3.444 4.686 ( -0.000 -1.593 -5.221) 5.459 4.735 ( -0.000 -4.390 0.367) 4.405 5.004 ( 0.000 3.543 -0.556) 3.586 5.095 ( 0.000 0.660 -0.689) 0.954 5.143 ( 0.000 1.679 1.755) 2.428 5.324 ( -0.000 -1.808 -0.539) 1.886 5.460 ( -0.000 -1.305 -3.429) 3.669 5.464 ( -0.000 -3.163 -1.741) 3.610 5.753 ( 0.000 3.585 -0.485) 3.618 5.791 ( 0.000 3.060 -3.206) 4.432 5.862 ( 0.000 4.058 -1.953) 4.503 6.164 ( -0.000 -2.794 -1.550) 3.195 6.344 ( -0.000 0.063 2.278) 2.279 6.435 ( -0.000 -2.291 -0.668) 2.387 6.827 ( 0.000 2.245 0.865) 2.406 6.971 ( -0.000 -0.818 0.271) 0.862 9.331 ( 0.000 0.526 0.069) 0.531 9.384 ( -0.000 -0.798 -0.589) 0.992 11.659 ( 0.000 3.562 -0.928) 3.681 11.741 ( 0.000 0.126 -0.192) 0.229 11.795 ( 0.000 0.336 -0.035) 0.338 11.873 ( -0.000 -1.857 0.333) 1.886 ======================= Grid point 195 (73/125) ======================= q-point: ( 0.44 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -0.816 1.333 10.549) 10.664 1.202 ( -2.248 6.859 6.951) 10.021 1.340 ( -0.344 -0.621 2.792) 2.881 1.671 ( -0.056 3.727 0.255) 3.737 1.838 ( -0.956 -7.801 2.416) 8.223 2.006 ( 0.062 3.777 4.650) 5.991 2.119 ( 0.331 -5.261 -0.437) 5.289 2.175 ( -1.306 5.134 9.247) 10.657 2.354 ( 0.577 1.688 1.241) 2.173 2.423 ( -0.026 -1.611 -2.961) 3.371 2.579 ( 2.319 0.862 3.351) 4.165 2.616 ( -1.402 2.321 1.184) 2.959 2.717 ( 0.940 2.588 2.614) 3.797 2.825 ( 0.153 -0.305 0.612) 0.700 3.018 ( 1.593 -1.650 2.846) 3.655 3.085 ( -0.387 -3.171 -5.128) 6.042 3.223 ( -2.236 1.590 10.916) 11.256 3.452 ( -0.917 -6.665 11.574) 13.387 3.900 ( -0.461 3.807 1.031) 3.971 4.058 ( -0.291 -1.182 -3.572) 3.774 4.580 ( 1.087 -0.297 -4.883) 5.011 4.708 ( -0.861 -5.253 -0.588) 5.355 5.009 ( 0.572 2.715 -0.658) 2.851 5.087 ( 0.138 0.168 -0.500) 0.545 5.178 ( -0.962 0.901 0.827) 1.556 5.295 ( 0.558 -1.691 -1.492) 2.323 5.381 ( 1.895 -0.922 -2.852) 3.546 5.409 ( -1.683 -1.237 -3.308) 3.912 5.738 ( 3.078 2.563 -1.287) 4.207 5.785 ( -2.923 2.553 -2.041) 4.385 5.857 ( 0.750 4.208 -0.589) 4.314 6.103 ( 1.767 -3.463 -2.193) 4.464 6.372 ( 1.828 -0.487 1.220) 2.251 6.414 ( -1.575 -0.359 -0.792) 1.799 6.866 ( -1.186 2.246 1.199) 2.809 6.970 ( 0.078 -0.877 0.219) 0.907 9.334 ( 0.160 0.423 -0.032) 0.454 9.365 ( 0.252 -0.612 -0.837) 1.067 11.672 ( -0.200 2.500 0.049) 2.508 11.738 ( -0.141 -0.088 -0.183) 0.247 11.794 ( 0.874 0.339 -0.006) 0.937 11.874 ( -1.337 -1.518 0.288) 2.043 ======================= Grid point 196 (74/125) ======================= q-point: ( 0.56 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 1.053 -0.813 4.795) 4.976 1.257 ( -1.999 0.229 3.009) 3.620 1.508 ( 1.253 4.644 6.479) 8.069 1.681 ( 2.106 6.872 -2.550) 7.626 1.839 ( -5.792 -6.137 1.015) 8.500 2.033 ( -1.390 -6.905 -3.315) 7.785 2.112 ( 0.487 2.377 4.542) 5.150 2.236 ( 2.106 -0.964 1.526) 2.773 2.373 ( 1.753 0.604 -1.843) 2.614 2.429 ( -0.831 1.233 1.645) 2.217 2.627 ( 0.884 3.367 -0.116) 3.483 2.656 ( -0.138 1.519 1.869) 2.412 2.756 ( 2.010 0.398 -0.556) 2.123 2.812 ( -0.740 -0.301 -0.618) 1.010 2.959 ( -0.560 -0.283 -3.585) 3.640 3.057 ( -0.879 -2.815 0.889) 3.080 3.453 ( -1.731 2.253 8.955) 9.395 3.606 ( -0.663 -4.611 7.054) 8.454 3.945 ( 0.500 1.636 1.810) 2.491 4.011 ( -0.690 -0.038 -0.932) 1.160 4.503 ( 1.626 0.659 -2.371) 2.950 4.671 ( -1.947 -3.857 -0.717) 4.379 5.003 ( 0.367 1.992 -1.439) 2.484 5.071 ( 0.328 -0.580 -1.151) 1.330 5.202 ( -1.461 -0.240 0.506) 1.565 5.242 ( 0.908 -1.853 -1.381) 2.483 5.338 ( 1.633 0.816 -0.424) 1.874 5.375 ( -1.092 -0.473 -0.937) 1.515 5.706 ( 2.109 1.487 -1.479) 2.974 5.769 ( -1.360 1.446 -2.551) 3.232 5.885 ( 0.386 3.647 0.885) 3.772 6.031 ( 1.759 -3.103 -1.517) 3.876 6.364 ( 0.856 -0.453 -0.107) 0.974 6.415 ( -1.399 -0.333 -0.632) 1.571 6.910 ( -0.854 1.791 1.285) 2.364 6.967 ( 0.333 -0.760 0.168) 0.846 9.333 ( 0.125 0.212 -0.137) 0.282 9.346 ( 0.113 -0.324 -0.672) 0.754 11.690 ( -0.033 1.552 0.263) 1.575 11.737 ( -0.272 -0.413 0.124) 0.510 11.786 ( 1.831 0.256 0.046) 1.849 11.884 ( -1.857 -0.839 0.253) 2.053 ======================= Grid point 197 (75/125) ======================= q-point: (-0.33 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 1.108 3.091 2.170) 3.936 1.336 ( 2.247 -1.701 4.188) 5.048 1.506 ( 4.530 0.741 -4.820) 6.656 1.626 ( 2.766 3.276 -4.372) 6.124 1.899 ( -6.182 -1.016 1.011) 6.346 1.973 ( -6.061 -6.080 -1.173) 8.665 2.180 ( 1.662 1.180 0.818) 2.197 2.247 ( 4.149 2.173 1.623) 4.957 2.340 ( 0.157 1.596 -0.279) 1.627 2.431 ( 2.035 -2.694 0.009) 3.376 2.595 ( -1.043 2.693 -4.488) 5.337 2.674 ( 1.985 0.411 -1.101) 2.307 2.702 ( 0.220 -0.938 -2.461) 2.643 2.771 ( -0.600 -3.022 -2.559) 4.005 2.967 ( -2.739 2.673 -0.175) 3.832 3.057 ( -1.936 -1.584 0.015) 2.501 3.518 ( 2.081 1.105 -3.595) 4.299 3.639 ( -1.291 -1.596 -1.660) 2.640 3.982 ( 1.555 2.158 1.758) 3.188 4.022 ( 0.715 -0.386 1.566) 1.764 4.492 ( 1.522 0.081 2.637) 3.045 4.692 ( -4.241 -0.435 1.871) 4.655 4.975 ( 0.856 0.584 -1.924) 2.186 5.036 ( 0.186 -1.838 -1.228) 2.219 5.211 ( -1.788 -0.199 0.414) 1.846 5.249 ( -1.720 -0.443 1.482) 2.313 5.337 ( 3.083 1.342 1.365) 3.629 5.382 ( 0.086 -0.849 1.624) 1.834 5.671 ( 1.100 0.210 -1.629) 1.976 5.743 ( -1.406 0.456 -1.762) 2.300 5.901 ( 2.631 1.085 0.072) 2.847 6.010 ( -1.107 -0.624 1.173) 1.729 6.355 ( -0.481 0.194 -0.595) 0.789 6.403 ( -1.121 -1.099 -1.199) 1.975 6.939 ( 0.902 0.831 0.773) 1.449 6.966 ( 0.155 -0.123 0.459) 0.500 9.327 ( 0.027 -0.081 -0.489) 0.497 9.341 ( -0.460 0.040 0.075) 0.468 11.694 ( 1.231 0.344 -0.054) 1.280 11.747 ( -0.689 -0.095 0.761) 1.031 11.775 ( 1.890 0.143 0.191) 1.905 11.898 ( -1.530 -0.290 0.210) 1.571 ======================= Grid point 198 (76/125) ======================= q-point: (-0.22 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 6.260 2.399 -7.859) 10.329 1.302 ( 11.522 -1.382 -5.871) 13.005 1.417 ( -0.179 1.443 2.696) 3.063 1.583 ( -0.547 -0.424 0.589) 0.908 1.917 ( -4.260 -1.955 -3.394) 5.787 1.964 ( -2.220 -1.597 -2.364) 3.614 2.111 ( 2.150 0.591 -5.851) 6.261 2.199 ( 4.713 -0.611 -4.079) 6.263 2.363 ( 3.056 1.592 -1.182) 3.643 2.436 ( -2.574 -0.021 4.192) 4.919 2.534 ( -1.539 1.305 -5.340) 5.709 2.601 ( -1.753 0.031 -5.090) 5.383 2.674 ( 2.240 0.317 0.154) 2.267 2.721 ( -1.762 -2.963 -1.433) 3.733 2.966 ( -3.072 0.140 -2.925) 4.244 3.085 ( -3.601 0.674 0.676) 3.725 3.365 ( 5.027 0.257 -8.705) 10.055 3.559 ( -1.415 0.290 -6.829) 6.980 3.966 ( 5.204 1.053 -1.499) 5.517 4.079 ( 0.345 -0.111 4.939) 4.953 4.570 ( -0.332 0.533 5.505) 5.541 4.764 ( -4.994 0.691 1.138) 5.168 4.933 ( 1.669 -0.178 -1.721) 2.404 5.012 ( -0.398 -1.941 -0.249) 1.997 5.236 ( -1.527 0.444 -0.267) 1.612 5.288 ( -2.174 -0.246 1.291) 2.541 5.371 ( 1.810 1.762 3.947) 4.686 5.416 ( 0.748 -1.675 3.107) 3.608 5.641 ( -0.209 -0.391 -0.880) 0.985 5.741 ( -2.014 0.015 -0.018) 2.014 5.876 ( 4.363 -0.371 0.362) 4.394 6.058 ( -3.131 0.610 1.561) 3.551 6.353 ( -1.395 1.130 -0.936) 2.025 6.378 ( -1.148 -1.759 -1.487) 2.574 6.936 ( 2.854 0.255 0.407) 2.894 6.976 ( 0.109 0.139 0.477) 0.509 9.319 ( -0.222 -0.073 -0.393) 0.458 9.351 ( -1.029 0.070 0.369) 1.095 11.675 ( 2.444 -0.275 -0.417) 2.494 11.765 ( 1.373 0.422 0.434) 1.501 11.774 ( -0.400 -0.249 1.344) 1.424 11.911 ( -0.868 0.017 0.327) 0.927 ======================= Grid point 199 (77/125) ======================= q-point: (-0.11 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 11.448 0.000 -11.954) 16.551 1.035 ( 14.939 0.000 -10.806) 18.437 1.499 ( 1.842 -0.000 2.682) 3.253 1.622 ( -2.085 -0.000 1.749) 2.722 1.660 ( 10.994 0.000 -18.046) 21.131 1.908 ( 3.667 0.000 -2.609) 4.501 2.074 ( -6.561 -0.000 -0.604) 6.589 2.078 ( 0.288 0.000 -5.354) 5.361 2.345 ( 0.196 0.000 0.063) 0.206 2.380 ( -4.196 0.000 -11.452) 12.197 2.543 ( 1.935 -0.000 4.336) 4.749 2.549 ( -3.490 -0.000 -2.684) 4.403 2.676 ( 1.663 0.000 1.542) 2.268 2.714 ( -2.427 -0.000 -1.227) 2.720 2.931 ( -2.803 0.000 -3.343) 4.362 3.137 ( -6.350 -0.000 1.174) 6.458 3.175 ( 6.639 0.000 -7.083) 9.708 3.461 ( -0.827 0.000 -4.513) 4.589 3.889 ( 6.907 0.000 -1.832) 7.146 4.167 ( 0.159 -0.000 4.683) 4.686 4.671 ( -1.980 -0.000 3.923) 4.394 4.804 ( -5.038 -0.000 -0.962) 5.129 4.890 ( 2.473 0.000 -0.960) 2.653 5.007 ( -0.343 -0.000 -0.084) 0.353 5.220 ( 1.327 0.000 -1.100) 1.724 5.327 ( -2.163 -0.000 1.244) 2.495 5.452 ( 0.534 -0.000 2.343) 2.403 5.468 ( -2.703 -0.000 4.430) 5.189 5.646 ( -1.552 -0.000 0.746) 1.722 5.771 ( -1.894 -0.000 1.616) 2.490 5.848 ( 5.220 0.000 0.563) 5.251 6.100 ( -3.767 -0.000 -0.350) 3.783 6.341 ( -0.459 0.000 -1.910) 1.965 6.360 ( -2.632 -0.000 -1.254) 2.916 6.918 ( 3.825 0.000 0.323) 3.838 6.980 ( 0.418 0.000 0.226) 0.475 9.315 ( -0.427 -0.000 -0.282) 0.511 9.368 ( -1.404 -0.000 0.370) 1.452 11.644 ( 2.948 0.000 -0.569) 3.002 11.761 ( 1.430 0.000 0.372) 1.477 11.808 ( -0.082 -0.000 2.077) 2.079 11.924 ( -0.012 -0.000 0.907) 0.907 ======================= Grid point 200 (78/125) ======================= q-point: ( 0.00 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 20.449 0.000 -0.000) 20.449 0.716 ( 21.118 0.000 -0.000) 21.118 1.141 ( 35.295 0.000 -0.000) 35.295 1.625 ( 0.652 0.000 -0.000) 0.652 1.639 ( -4.696 -0.000 0.000) 4.696 1.904 ( 5.381 0.000 -0.000) 5.381 1.937 ( -2.181 -0.000 0.000) 2.181 2.078 ( -8.166 -0.000 0.000) 8.166 2.099 ( -5.606 -0.000 0.000) 5.606 2.308 ( -5.846 -0.000 0.000) 5.846 2.551 ( -3.102 -0.000 0.000) 3.102 2.633 ( -0.684 -0.000 0.000) 0.684 2.675 ( 5.890 0.000 -0.000) 5.890 2.714 ( -2.202 -0.000 0.000) 2.202 2.831 ( -0.607 -0.000 0.000) 0.607 3.040 ( 8.458 0.000 -0.000) 8.458 3.167 ( -10.652 -0.000 0.000) 10.652 3.398 ( -1.207 -0.000 0.000) 1.207 3.852 ( 7.779 0.000 -0.000) 7.779 4.258 ( -5.087 -0.000 0.000) 5.087 4.723 ( -2.711 -0.000 0.000) 2.711 4.762 ( 0.076 0.000 -0.000) 0.076 4.888 ( 2.435 0.000 -0.000) 2.435 5.014 ( 1.483 0.000 -0.000) 1.483 5.209 ( -1.212 -0.000 0.000) 1.212 5.349 ( -3.996 -0.000 0.000) 3.996 5.497 ( 1.725 0.000 -0.000) 1.725 5.514 ( -1.801 -0.000 0.000) 1.801 5.672 ( -2.687 -0.000 0.000) 2.687 5.856 ( -3.646 -0.000 0.000) 3.646 5.862 ( 6.381 0.000 -0.000) 6.381 6.018 ( 2.123 0.000 -0.000) 2.123 6.301 ( 0.017 0.000 -0.000) 0.017 6.307 ( -0.555 -0.000 0.000) 0.555 6.918 ( 2.995 0.000 -0.000) 2.995 6.986 ( 0.708 0.000 -0.000) 0.708 9.309 ( -0.483 -0.000 0.000) 0.483 9.373 ( -1.469 -0.000 0.000) 1.469 11.633 ( 3.525 0.000 -0.000) 3.525 11.770 ( 1.621 0.000 -0.000) 1.621 11.861 ( -0.816 -0.000 0.000) 0.816 11.984 ( -2.579 -0.000 0.000) 2.579 ======================= Grid point 204 (79/125) ======================= q-point: ( 0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 0.000 4.011 -1.439) 4.261 1.258 ( -0.000 -2.029 8.668) 8.902 1.481 ( 0.000 2.089 11.285) 11.476 1.637 ( 0.000 2.866 -0.796) 2.975 1.873 ( -0.000 -6.518 -3.225) 7.272 2.044 ( 0.000 0.922 1.606) 1.852 2.143 ( -0.000 -3.472 -0.399) 3.494 2.239 ( 0.000 3.927 1.124) 4.085 2.355 ( 0.000 6.124 1.718) 6.360 2.385 ( -0.000 -1.002 -2.113) 2.339 2.582 ( 0.000 4.871 -1.336) 5.051 2.671 ( -0.000 -3.153 5.172) 6.057 2.772 ( 0.000 0.705 3.065) 3.145 2.832 ( -0.000 -3.676 -1.216) 3.872 2.965 ( -0.000 -0.915 -7.028) 7.087 3.072 ( -0.000 -1.219 0.414) 1.287 3.416 ( 0.000 1.313 10.333) 10.416 3.659 ( -0.000 -4.263 6.110) 7.450 3.919 ( 0.000 2.497 3.068) 3.955 4.002 ( 0.000 0.687 -2.495) 2.588 4.499 ( 0.000 1.241 -3.310) 3.535 4.739 ( -0.000 -7.642 -0.609) 7.666 4.982 ( 0.000 1.723 -0.754) 1.881 5.065 ( 0.000 1.990 -1.332) 2.395 5.195 ( -0.000 -0.732 1.575) 1.737 5.280 ( -0.000 -2.311 -1.710) 2.875 5.355 ( 0.000 0.093 -1.161) 1.164 5.358 ( 0.000 0.119 -1.242) 1.248 5.716 ( 0.000 1.210 -1.562) 1.976 5.726 ( 0.000 1.309 -1.220) 1.789 5.835 ( 0.000 4.248 0.789) 4.321 6.076 ( -0.000 -1.723 -3.053) 3.505 6.387 ( -0.000 -0.835 -1.146) 1.418 6.407 ( -0.000 -0.838 0.924) 1.248 6.877 ( 0.000 1.890 1.872) 2.660 6.974 ( -0.000 -0.120 -0.120) 0.169 9.332 ( 0.000 0.127 -0.003) 0.127 9.350 ( -0.000 -0.290 -1.063) 1.101 11.667 ( 0.000 1.710 0.864) 1.916 11.739 ( -0.000 -0.110 0.214) 0.241 11.796 ( 0.000 0.602 0.063) 0.605 11.882 ( -0.000 -1.342 0.233) 1.362 ======================= Grid point 205 (80/125) ======================= q-point: ( 0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -0.712 6.024 -0.344) 6.075 1.368 ( 0.618 0.191 4.357) 4.404 1.592 ( 5.006 0.660 -2.693) 5.723 1.654 ( 3.035 -0.450 4.504) 5.450 1.813 ( -6.481 -2.878 -0.636) 7.120 1.975 ( -2.863 -6.443 -5.011) 8.650 2.190 ( 2.147 1.762 3.634) 4.574 2.241 ( -0.948 1.881 -0.934) 2.304 2.347 ( 1.842 1.203 -1.647) 2.748 2.419 ( -0.768 5.489 0.080) 5.543 2.565 ( 0.404 3.165 -3.352) 4.628 2.721 ( 1.615 -0.939 -5.914) 6.202 2.730 ( 1.643 -4.144 2.777) 5.252 2.783 ( -2.999 -3.227 -2.288) 4.964 2.921 ( -0.076 0.846 1.110) 1.398 3.046 ( -1.229 -1.013 -2.673) 3.112 3.520 ( 0.359 0.813 -0.705) 1.135 3.662 ( 0.292 -2.558 -2.978) 3.937 3.977 ( 1.648 2.430 0.922) 3.077 4.004 ( -1.454 2.016 2.266) 3.364 4.498 ( 0.565 1.745 2.178) 2.847 4.695 ( -0.492 -5.503 0.937) 5.604 4.972 ( -0.057 0.578 -1.005) 1.161 5.049 ( -0.122 0.066 -1.126) 1.134 5.214 ( 0.175 -1.398 0.847) 1.644 5.243 ( -0.729 -2.127 -0.048) 2.249 5.358 ( 1.949 1.533 1.654) 2.981 5.380 ( -0.770 0.604 2.263) 2.465 5.683 ( 1.124 0.239 -1.512) 1.899 5.713 ( -1.635 0.311 -1.733) 2.403 5.884 ( -0.120 3.771 1.522) 4.068 6.020 ( 0.420 -0.941 -1.638) 1.935 6.360 ( 0.245 -0.955 -1.054) 1.443 6.407 ( -0.529 -1.649 -0.319) 1.761 6.924 ( -0.264 1.634 1.834) 2.470 6.971 ( 0.243 0.237 -0.176) 0.382 9.330 ( 0.212 -0.108 -0.466) 0.523 9.334 ( -0.356 -0.014 -0.385) 0.524 11.692 ( 0.089 1.218 0.885) 1.508 11.745 ( -0.086 -0.383 0.682) 0.787 11.797 ( 1.334 0.797 0.118) 1.558 11.883 ( -1.105 -1.191 0.266) 1.646 ======================= Grid point 206 (81/125) ======================= q-point: (-0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 2.255 6.648 -1.724) 7.228 1.387 ( 1.349 2.673 -2.221) 3.728 1.486 ( 8.972 -0.532 -2.129) 9.237 1.629 ( 3.382 -4.638 0.497) 5.761 1.873 ( -5.599 -0.868 0.488) 5.687 1.906 ( -7.492 -5.652 -2.211) 9.642 2.164 ( 3.175 0.094 -3.931) 5.053 2.240 ( 0.980 1.047 -3.380) 3.671 2.355 ( 2.026 3.540 2.653) 4.865 2.426 ( 0.375 2.439 -2.326) 3.391 2.496 ( 0.231 1.506 -5.374) 5.586 2.593 ( -0.749 -1.493 -6.564) 6.774 2.681 ( -1.024 -0.446 -2.579) 2.811 2.774 ( 0.945 -4.259 0.228) 4.369 2.938 ( -0.396 -0.561 -0.445) 0.818 3.011 ( -3.973 0.946 -2.235) 4.655 3.413 ( 2.352 0.892 -8.464) 8.830 3.551 ( -0.133 -1.346 -7.035) 7.163 3.996 ( 2.671 3.465 0.674) 4.427 4.074 ( -0.512 1.362 3.228) 3.540 4.564 ( 0.881 1.341 4.058) 4.363 4.716 ( -2.216 -2.470 2.287) 4.030 4.954 ( 0.609 -0.337 -0.882) 1.124 5.032 ( -0.505 -1.718 -0.372) 1.829 5.214 ( -0.328 -0.921 0.513) 1.104 5.261 ( -2.459 -1.489 0.981) 3.038 5.390 ( 3.170 2.066 2.643) 4.615 5.443 ( 0.354 -0.220 4.012) 4.033 5.650 ( 0.462 -0.723 -1.360) 1.608 5.705 ( -2.632 -0.180 -0.593) 2.704 5.924 ( 1.790 1.422 1.351) 2.655 6.011 ( -1.321 0.824 0.372) 1.601 6.336 ( -0.285 -0.480 -1.132) 1.263 6.386 ( -0.931 -2.241 -1.155) 2.688 6.957 ( 0.998 1.071 0.856) 1.696 6.972 ( 0.113 0.801 0.366) 0.888 9.319 ( 0.050 -0.086 -0.446) 0.457 9.336 ( -0.805 0.013 -0.016) 0.806 11.707 ( 1.372 0.402 0.587) 1.546 11.761 ( -0.345 -0.123 1.140) 1.198 11.793 ( 1.887 0.534 0.480) 2.019 11.893 ( -1.611 -0.668 0.271) 1.765 ======================= Grid point 207 (82/125) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 11.042 3.712 -7.415) 13.809 1.261 ( 11.544 -2.433 -7.980) 14.243 1.466 ( -0.918 4.448 2.576) 5.221 1.619 ( -1.523 -3.924 1.488) 4.465 1.860 ( 3.349 -6.325 -4.372) 8.387 1.903 ( -1.611 2.092 -2.250) 3.469 2.020 ( 2.366 -1.473 -5.268) 5.959 2.134 ( 3.056 -1.937 -5.465) 6.555 2.300 ( 0.314 2.639 -9.974) 10.322 2.359 ( -0.579 1.162 -4.176) 4.374 2.470 ( -5.021 2.361 -2.963) 6.290 2.542 ( -1.968 -0.567 2.406) 3.159 2.681 ( 0.104 0.856 1.048) 1.357 2.728 ( 1.508 -1.689 -0.970) 2.464 2.907 ( -1.165 -1.933 -2.294) 3.218 3.029 ( -6.666 0.981 -1.555) 6.915 3.259 ( 4.274 0.791 -5.952) 7.370 3.432 ( -0.982 0.578 -5.249) 5.371 3.983 ( 5.753 1.544 -0.474) 5.975 4.147 ( -1.697 1.275 2.843) 3.548 4.638 ( -0.402 1.501 3.181) 3.540 4.754 ( -2.781 -1.397 0.711) 3.192 4.929 ( 1.917 -0.512 -0.470) 2.039 5.022 ( -0.338 -2.156 0.199) 2.191 5.218 ( -0.808 -0.309 -0.559) 1.031 5.288 ( -3.209 -1.220 0.630) 3.491 5.430 ( 2.343 2.861 2.354) 4.384 5.504 ( 0.993 -2.235 3.846) 4.557 5.629 ( -1.011 -0.674 -0.358) 1.267 5.733 ( -3.075 0.101 1.251) 3.321 5.926 ( 3.932 -0.445 1.255) 4.151 6.046 ( -2.346 1.150 0.550) 2.671 6.319 ( -0.701 0.367 -1.152) 1.398 6.355 ( -1.271 -2.282 -1.593) 3.059 6.958 ( 2.206 0.989 0.164) 2.423 6.984 ( 0.406 0.582 0.419) 0.824 9.312 ( -0.110 -0.153 -0.292) 0.348 9.346 ( -1.355 0.111 0.112) 1.364 11.695 ( 2.975 -0.449 0.061) 3.009 11.781 ( 1.254 0.939 0.579) 1.670 11.804 ( -0.111 -0.385 1.789) 1.833 11.910 ( -1.554 0.013 0.569) 1.655 ======================= Grid point 208 (83/125) ======================= q-point: (-0.11 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 16.616 2.840 -6.614) 18.108 0.951 ( 16.258 -3.144 -11.657) 20.250 1.498 ( 22.745 -3.824 -8.408) 24.549 1.576 ( 0.593 1.694 0.995) 2.052 1.637 ( -2.503 -3.558 0.094) 4.351 1.897 ( -1.435 2.079 -1.663) 3.025 1.982 ( 3.540 3.386 -1.702) 5.186 2.054 ( -5.453 -5.394 0.205) 7.673 2.126 ( -3.992 1.593 -10.140) 11.013 2.308 ( -3.083 -0.771 -3.116) 4.450 2.498 ( -5.020 1.833 0.663) 5.385 2.608 ( -1.473 -0.433 2.119) 2.617 2.694 ( 0.058 0.925 0.140) 0.937 2.711 ( 2.871 0.185 0.468) 2.915 2.859 ( -1.060 -0.745 -2.733) 3.025 3.078 ( -9.522 1.222 -0.463) 9.611 3.136 ( 6.266 -1.235 -2.919) 7.022 3.393 ( -1.573 1.760 -1.579) 2.840 3.922 ( 7.521 -0.277 -0.799) 7.568 4.210 ( -3.358 0.735 1.327) 3.684 4.695 ( -1.922 0.602 1.276) 2.384 4.765 ( -1.989 -0.831 -0.463) 2.205 4.906 ( 2.556 -0.410 0.151) 2.593 5.019 ( 0.575 -1.285 0.675) 1.561 5.206 ( -0.432 -0.039 -0.718) 0.839 5.317 ( -4.159 -0.911 0.325) 4.270 5.469 ( 1.338 5.103 0.678) 5.319 5.530 ( 0.172 -4.594 1.711) 4.905 5.645 ( -2.606 -0.313 0.647) 2.703 5.792 ( -2.714 1.037 2.316) 3.715 5.906 ( 5.199 -1.248 0.878) 5.418 6.057 ( -1.052 -0.371 -1.444) 1.825 6.307 ( -0.498 0.661 -0.986) 1.287 6.323 ( -1.062 -1.439 -1.561) 2.374 6.943 ( 2.947 0.484 -0.200) 2.993 6.988 ( 0.712 0.377 0.183) 0.826 9.308 ( -0.316 -0.137 -0.168) 0.383 9.360 ( -1.600 0.114 0.079) 1.606 11.665 ( 3.646 -0.590 -0.153) 3.697 11.780 ( 1.869 0.364 0.299) 1.928 11.840 ( -0.945 -0.057 1.473) 1.751 11.942 ( -1.677 0.628 1.534) 2.358 ======================= Grid point 214 (84/125) ======================= q-point: (-0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -0.000 7.228 0.688) 7.261 1.360 ( -0.000 3.639 -3.036) 4.739 1.568 ( -0.000 -0.841 -2.001) 2.171 1.741 ( -0.000 -1.002 -1.091) 1.482 1.811 ( -0.000 -6.866 1.602) 7.051 1.952 ( -0.000 -8.176 -0.181) 8.178 2.169 ( -0.000 1.507 -4.092) 4.360 2.236 ( -0.000 1.070 -0.059) 1.072 2.348 ( 0.000 2.584 1.535) 3.006 2.353 ( -0.000 8.020 -2.300) 8.343 2.492 ( -0.000 1.032 -3.437) 3.589 2.588 ( -0.000 -0.046 -7.206) 7.206 2.676 ( -0.000 -1.377 -7.340) 7.468 2.842 ( -0.000 -4.768 1.366) 4.960 2.957 ( -0.000 -0.731 2.414) 2.522 2.966 ( -0.000 0.100 -5.330) 5.331 3.426 ( -0.000 -0.433 -8.670) 8.681 3.572 ( -0.000 -0.997 -7.076) 7.146 3.969 ( -0.000 3.872 0.722) 3.938 4.037 ( -0.000 2.809 2.609) 3.834 4.555 ( -0.000 1.133 4.228) 4.377 4.750 ( -0.000 -4.265 1.417) 4.494 4.959 ( -0.000 -0.394 -0.376) 0.545 5.038 ( -0.000 -0.194 -0.062) 0.204 5.251 ( -0.000 -2.183 1.359) 2.571 5.257 ( 0.000 -3.073 0.723) 3.157 5.395 ( 0.000 2.501 2.554) 3.574 5.426 ( -0.000 1.935 3.633) 4.116 5.678 ( 0.000 -0.384 -1.272) 1.328 5.678 ( -0.000 -1.881 -0.257) 1.898 5.895 ( -0.000 3.627 2.438) 4.371 6.002 ( -0.000 0.216 -0.592) 0.631 6.350 ( -0.000 -1.611 -1.051) 1.924 6.406 ( -0.000 -2.001 -0.968) 2.223 6.946 ( -0.000 1.420 1.548) 2.101 6.960 ( -0.000 1.220 -0.547) 1.337 9.319 ( -0.000 0.101 -0.549) 0.559 9.331 ( -0.000 -0.203 -0.092) 0.223 11.706 ( -0.000 0.858 1.209) 1.482 11.765 ( -0.000 -0.464 1.094) 1.189 11.799 ( -0.000 0.956 0.287) 0.998 11.891 ( -0.000 -1.062 0.204) 1.082 ======================= Grid point 216 (85/125) ======================= q-point: (-0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 5.984 5.832 -0.873) 8.401 1.320 ( -1.943 3.501 -1.992) 4.472 1.506 ( 6.860 -2.048 -3.077) 7.793 1.650 ( -1.855 -4.686 -3.807) 6.315 1.840 ( -2.900 -1.792 1.875) 3.891 1.918 ( -1.780 -5.661 -0.084) 5.935 2.078 ( -0.027 1.308 -6.499) 6.630 2.200 ( 6.460 1.352 -3.640) 7.537 2.298 ( 0.004 3.302 -7.578) 8.266 2.340 ( -2.444 2.843 -6.210) 7.254 2.394 ( 0.566 -3.189 -3.775) 4.974 2.519 ( -1.545 -0.465 0.059) 1.614 2.644 ( -1.704 2.752 2.098) 3.858 2.789 ( 3.032 -2.516 -2.847) 4.862 2.893 ( -3.902 0.349 -4.010) 5.606 2.971 ( -0.208 -1.723 -0.905) 1.957 3.278 ( 0.698 0.920 -5.557) 5.675 3.441 ( 0.835 -1.113 -5.996) 6.155 4.009 ( 2.108 3.812 1.223) 4.525 4.093 ( -1.517 2.719 1.137) 3.315 4.629 ( 0.588 0.815 3.371) 3.517 4.751 ( -0.864 -2.773 0.569) 2.960 4.954 ( 0.368 -0.437 0.097) 0.580 5.032 ( -0.684 -1.133 -0.256) 1.348 5.238 ( 1.554 -2.627 0.449) 3.085 5.271 ( -2.568 -3.070 0.798) 4.082 5.443 ( 3.010 2.479 2.122) 4.439 5.507 ( -1.710 1.253 3.176) 3.818 5.646 ( 1.570 -1.375 -0.352) 2.116 5.687 ( -3.016 -0.775 0.522) 3.157 5.958 ( 0.882 1.817 2.478) 3.197 6.009 ( -0.537 0.650 1.038) 1.337 6.321 ( 0.025 -1.351 -0.967) 1.662 6.369 ( -0.513 -2.268 -1.703) 2.882 6.961 ( 0.641 1.827 -0.094) 1.939 6.975 ( 0.027 1.428 0.546) 1.529 9.313 ( 0.076 0.059 -0.193) 0.216 9.330 ( -0.627 -0.152 -0.153) 0.663 11.728 ( 1.111 0.588 1.024) 1.621 11.777 ( -0.025 0.006 0.492) 0.492 11.815 ( 0.810 0.568 1.324) 1.653 11.891 ( -1.052 -0.857 0.110) 1.361 ======================= Grid point 217 (86/125) ======================= q-point: (-0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 13.749 3.015 -3.550) 14.516 1.238 ( 13.731 -4.414 -6.589) 15.857 1.441 ( -5.924 2.484 0.437) 6.439 1.618 ( -7.020 -4.668 -1.012) 8.491 1.838 ( 0.110 0.671 -1.975) 2.089 1.906 ( 11.057 -1.423 -0.695) 11.170 1.975 ( 0.032 -1.103 -2.304) 2.555 2.054 ( -0.657 1.773 -6.835) 7.092 2.146 ( 5.309 -1.181 -5.338) 7.621 2.275 ( 0.250 0.321 -3.670) 3.693 2.363 ( -6.631 1.670 -1.037) 6.916 2.578 ( -4.612 -2.404 2.868) 5.940 2.695 ( 1.375 0.656 -0.941) 1.790 2.734 ( 1.383 1.363 1.812) 2.656 2.865 ( -2.363 -0.643 -2.575) 3.553 2.931 ( -5.411 0.372 -3.171) 6.283 3.226 ( 3.607 0.079 -0.750) 3.685 3.352 ( -0.551 0.903 -2.837) 3.028 4.011 ( 4.925 1.563 0.118) 5.169 4.139 ( -3.397 2.330 0.199) 4.124 4.678 ( 0.137 -0.050 1.994) 1.999 4.750 ( -1.902 -1.382 -0.366) 2.380 4.947 ( 1.964 -0.573 0.401) 2.085 5.031 ( -1.302 -0.888 0.069) 1.577 5.214 ( 0.735 -2.052 -0.441) 2.224 5.284 ( -3.421 -3.160 0.288) 4.667 5.457 ( 3.626 3.046 0.484) 4.761 5.572 ( -1.727 -0.730 2.217) 2.903 5.626 ( 0.502 -1.479 -0.090) 1.565 5.729 ( -3.788 0.677 1.079) 3.997 5.979 ( 3.325 -0.093 1.253) 3.554 6.047 ( -1.051 0.121 1.401) 1.755 6.301 ( -0.039 -0.644 -0.596) 0.878 6.330 ( -0.797 -1.854 -1.608) 2.580 6.965 ( 1.588 1.654 0.020) 2.293 6.986 ( 0.347 1.414 0.002) 1.456 9.309 ( 0.149 -0.202 -0.102) 0.271 9.335 ( -1.337 0.115 -0.034) 1.343 11.724 ( 3.097 -0.351 0.297) 3.131 11.788 ( 0.310 1.342 0.297) 1.409 11.837 ( 0.260 -0.694 1.340) 1.531 11.904 ( -2.088 0.262 0.295) 2.125 ======================= Grid point 218 (87/125) ======================= q-point: (-0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 17.112 0.108 -0.000) 17.113 1.005 ( 18.515 -2.643 -0.000) 18.703 1.519 ( -6.225 1.261 0.000) 6.351 1.629 ( -3.004 -3.355 0.000) 4.504 1.703 ( 24.926 -5.495 -0.000) 25.524 1.823 ( -2.670 2.287 -0.000) 3.516 1.969 ( -1.326 4.231 -0.000) 4.434 2.029 ( 0.902 -1.129 0.000) 1.445 2.058 ( 0.081 -3.013 0.000) 3.014 2.245 ( -4.186 -1.391 0.000) 4.411 2.438 ( -7.583 4.352 -0.000) 8.743 2.619 ( -3.384 -2.936 0.000) 4.480 2.680 ( 0.545 2.168 -0.000) 2.236 2.750 ( 3.077 -0.190 -0.000) 3.083 2.833 ( 0.568 -0.036 -0.000) 0.569 2.980 ( -11.083 1.665 0.000) 11.208 3.170 ( 6.137 -1.778 -0.000) 6.389 3.354 ( -1.632 2.517 -0.000) 3.000 3.970 ( 6.582 -0.048 -0.000) 6.583 4.180 ( -4.146 1.341 0.000) 4.357 4.696 ( -1.247 -0.813 0.000) 1.489 4.754 ( -1.445 -0.322 0.000) 1.481 4.931 ( 2.424 -0.597 -0.000) 2.496 5.037 ( -0.378 -0.962 0.000) 1.033 5.197 ( -0.311 -0.958 0.000) 1.007 5.298 ( -4.312 -2.463 0.000) 4.966 5.456 ( 2.932 4.565 -0.000) 5.425 5.580 ( 1.577 -3.484 0.000) 3.824 5.631 ( -3.444 -0.694 0.000) 3.513 5.779 ( -3.866 1.780 -0.000) 4.256 5.958 ( 4.337 -0.765 -0.000) 4.404 6.056 ( 0.495 -1.592 0.000) 1.667 6.293 ( -0.204 0.030 0.000) 0.206 6.310 ( -0.624 -1.271 0.000) 1.416 6.956 ( 2.489 0.940 -0.000) 2.661 6.990 ( 0.643 1.126 -0.000) 1.297 9.307 ( -0.073 -0.243 0.000) 0.254 9.347 ( -1.587 0.175 0.000) 1.597 11.696 ( 3.762 -0.723 -0.000) 3.831 11.792 ( 1.643 1.124 -0.000) 1.991 11.847 ( -0.992 -0.733 0.000) 1.234 11.933 ( -2.683 1.133 -0.000) 2.913 ======================= Grid point 225 (88/125) ======================= q-point: (-0.33 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 0.000 5.440 0.970) 5.526 1.244 ( -0.000 3.025 -1.596) 3.420 1.522 ( 0.000 -5.963 -1.838) 6.240 1.575 ( -0.000 -7.510 -5.072) 9.062 1.883 ( -0.000 2.518 1.230) 2.803 1.903 ( 0.000 -1.835 -1.623) 2.450 1.973 ( 0.000 0.177 -2.333) 2.340 2.077 ( 0.000 2.380 -9.659) 9.948 2.145 ( -0.000 2.470 -6.082) 6.565 2.193 ( 0.000 3.444 -4.944) 6.025 2.467 ( 0.000 -6.747 4.798) 8.279 2.540 ( -0.000 -1.795 2.359) 2.964 2.687 ( -0.000 2.252 3.165) 3.884 2.750 ( 0.000 -1.423 -4.506) 4.725 2.799 ( -0.000 1.976 -1.769) 2.653 2.923 ( -0.000 -0.550 -4.705) 4.737 3.241 ( -0.000 0.449 0.882) 0.990 3.353 ( -0.000 -0.025 -4.710) 4.710 4.023 ( -0.000 3.170 1.660) 3.578 4.071 ( -0.000 2.572 -0.646) 2.652 4.684 ( -0.000 -0.164 2.705) 2.710 4.755 ( -0.000 -1.874 -1.218) 2.235 4.968 ( -0.000 -0.267 1.071) 1.104 5.021 ( -0.000 -0.608 -1.236) 1.378 5.283 ( 0.000 -3.998 0.431) 4.022 5.287 ( -0.000 -4.615 0.334) 4.627 5.482 ( 0.000 2.370 1.819) 2.988 5.511 ( -0.000 2.371 0.404) 2.406 5.670 ( -0.000 -0.661 0.775) 1.019 5.685 ( -0.000 -1.094 0.132) 1.102 6.003 ( -0.000 1.125 2.837) 3.052 6.028 ( -0.000 0.065 1.273) 1.274 6.317 ( -0.000 -1.520 -0.470) 1.591 6.346 ( -0.000 -1.745 -1.916) 2.591 6.950 ( -0.000 2.325 0.160) 2.331 6.967 ( -0.000 1.856 -0.349) 1.889 9.313 ( -0.000 0.085 0.157) 0.178 9.324 ( -0.000 -0.176 -0.322) 0.366 11.749 ( -0.000 0.614 1.088) 1.250 11.776 ( -0.000 0.232 -0.379) 0.444 11.845 ( -0.000 0.189 1.779) 1.789 11.889 ( -0.000 -0.541 -0.514) 0.746 ======================= Grid point 227 (89/125) ======================= q-point: (-0.22 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 13.153 2.384 -0.000) 13.367 1.293 ( 5.075 1.001 -0.000) 5.173 1.390 ( 0.068 -4.462 0.000) 4.463 1.561 ( -12.546 -6.606 0.000) 14.179 1.852 ( 7.449 -0.604 -0.000) 7.473 1.930 ( 4.759 6.029 -0.000) 7.681 1.981 ( -8.959 -4.535 0.000) 10.041 1.990 ( 2.491 2.738 -0.000) 3.702 2.069 ( 4.941 4.208 -0.000) 6.490 2.203 ( -8.110 3.518 -0.000) 8.840 2.413 ( 11.507 -6.969 0.000) 13.453 2.590 ( -8.479 -5.512 0.000) 10.113 2.683 ( 2.834 1.669 -0.000) 3.289 2.740 ( -4.646 1.349 0.000) 4.838 2.839 ( 0.446 0.651 -0.000) 0.789 2.849 ( -1.783 1.151 -0.000) 2.123 3.260 ( 3.727 -0.255 -0.000) 3.736 3.303 ( -1.930 1.306 -0.000) 2.331 4.038 ( 3.960 1.805 -0.000) 4.352 4.094 ( -3.702 2.800 -0.000) 4.641 4.709 ( 0.946 -1.321 0.000) 1.625 4.733 ( -1.867 -0.720 0.000) 2.001 4.974 ( 2.297 -0.574 -0.000) 2.368 5.013 ( -2.694 0.121 0.000) 2.697 5.241 ( 2.368 -3.644 0.000) 4.346 5.285 ( -3.354 -4.427 0.000) 5.554 5.478 ( 5.303 2.425 -0.000) 5.831 5.558 ( -5.137 1.128 0.000) 5.259 5.654 ( 2.908 -1.495 0.000) 3.270 5.706 ( -3.667 0.313 0.000) 3.681 6.017 ( 2.978 -0.054 -0.000) 2.978 6.054 ( -1.824 0.111 0.000) 1.827 6.305 ( 0.613 -1.325 0.000) 1.460 6.316 ( -0.743 -1.451 0.000) 1.630 6.965 ( 1.072 2.019 -0.000) 2.286 6.973 ( -0.145 2.151 -0.000) 2.156 9.313 ( 0.462 -0.190 0.000) 0.500 9.325 ( -1.108 0.090 0.000) 1.112 11.752 ( 2.628 -0.018 -0.000) 2.628 11.780 ( -0.885 1.112 -0.000) 1.421 11.861 ( 1.080 -0.739 0.000) 1.309 11.886 ( -2.034 0.326 0.000) 2.060 ======================= Grid point 232 (90/125) ======================= q-point: (-0.67 -0.44 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 1.672 0.000 -1.569) 2.293 1.274 ( -2.860 0.000 -0.640) 2.930 1.607 ( -5.957 0.000 -2.624) 6.509 1.632 ( 2.747 -0.000 -8.597) 9.025 1.931 ( -3.521 0.000 -1.017) 3.665 1.934 ( -4.881 -0.000 2.886) 5.670 2.138 ( -5.091 0.000 -3.173) 5.999 2.162 ( 0.981 -0.000 -0.513) 1.107 2.317 ( 5.404 0.000 -3.690) 6.544 2.345 ( 5.081 0.000 1.803) 5.391 2.541 ( 4.225 0.000 -1.819) 4.600 2.674 ( 0.931 0.000 -3.671) 3.787 2.756 ( 1.256 0.000 -6.756) 6.872 2.867 ( -3.612 0.000 0.655) 3.671 2.934 ( 2.721 -0.000 -1.109) 2.938 2.988 ( -0.036 0.000 -2.503) 2.504 3.395 ( -2.781 0.000 -9.142) 9.556 3.443 ( -6.871 0.000 -8.846) 11.201 3.936 ( 1.234 0.000 0.897) 1.526 4.028 ( 0.998 0.000 1.808) 2.065 4.530 ( -0.005 0.000 4.144) 4.144 4.742 ( -3.177 0.000 0.758) 3.266 5.038 ( 1.756 0.000 -0.009) 1.756 5.053 ( 1.239 -0.000 1.934) 2.297 5.235 ( -2.710 0.000 -0.450) 2.747 5.259 ( -0.949 0.000 2.077) 2.283 5.355 ( 0.758 0.000 3.016) 3.110 5.424 ( -0.189 0.000 3.264) 3.269 5.686 ( 1.823 0.000 0.168) 1.831 5.802 ( 4.679 0.000 0.844) 4.755 5.914 ( 3.724 0.000 2.748) 4.628 5.947 ( -2.658 -0.000 -0.735) 2.758 6.357 ( -0.914 0.000 -0.960) 1.326 6.443 ( 0.269 0.000 -0.163) 0.315 6.935 ( -0.409 -0.000 -1.086) 1.161 6.936 ( 0.294 0.000 0.511) 0.590 9.331 ( 0.702 0.000 -0.242) 0.743 9.340 ( 0.328 0.000 0.225) 0.398 11.702 ( 0.635 0.000 0.869) 1.076 11.750 ( -1.480 0.000 -0.117) 1.484 11.771 ( 0.054 0.000 1.145) 1.146 11.908 ( -0.632 0.000 -0.136) 0.647 ======================= Grid point 243 (91/125) ======================= q-point: ( 0.33 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -1.071 4.143 -1.764) 4.629 1.262 ( -3.375 -2.343 1.132) 4.262 1.409 ( -4.834 10.575 -6.566) 13.353 1.551 ( -3.822 -11.573 -6.564) 13.843 1.829 ( -3.060 4.955 -4.846) 7.576 1.904 ( -2.855 -3.043 -4.063) 5.824 2.098 ( -0.686 2.879 -3.110) 4.293 2.141 ( -1.201 -4.033 -0.089) 4.209 2.295 ( 3.873 1.145 -1.680) 4.375 2.386 ( 4.450 -0.028 -3.498) 5.660 2.504 ( 0.906 5.214 -3.279) 6.226 2.565 ( 0.180 -2.946 -3.948) 4.929 2.697 ( 0.914 1.385 -1.969) 2.575 2.795 ( -0.163 0.887 -4.407) 4.498 2.930 ( 3.560 -3.835 -4.482) 6.889 2.952 ( -0.836 -1.051 -2.306) 2.669 3.232 ( -3.192 1.878 -3.898) 5.377 3.286 ( -5.974 -2.283 -3.342) 7.216 3.972 ( 1.433 2.012 2.077) 3.228 4.070 ( 0.716 -2.192 1.651) 2.836 4.610 ( 0.472 -0.194 4.533) 4.561 4.745 ( -1.855 -0.333 1.383) 2.338 5.041 ( 0.698 1.251 0.116) 1.437 5.090 ( 1.354 0.145 1.069) 1.731 5.204 ( -2.236 0.132 -0.977) 2.444 5.288 ( -0.474 -0.601 0.623) 0.987 5.411 ( 0.120 1.144 3.118) 3.324 5.485 ( -1.423 -1.421 3.396) 3.946 5.710 ( 3.538 0.738 0.693) 3.680 5.844 ( 6.514 1.654 -0.965) 6.790 5.942 ( -2.081 1.524 3.191) 4.103 5.996 ( 2.452 -2.488 2.446) 4.264 6.328 ( -0.763 0.223 -1.385) 1.597 6.429 ( 0.289 0.247 -1.689) 1.732 6.912 ( -0.747 0.633 -0.704) 1.206 6.939 ( -0.409 -1.109 -0.355) 1.234 9.335 ( 0.861 0.505 0.033) 0.998 9.348 ( 0.688 -0.511 0.123) 0.866 11.716 ( 0.278 1.116 0.526) 1.265 11.742 ( -0.753 -0.589 0.123) 0.964 11.795 ( -0.527 -0.178 1.556) 1.653 11.896 ( -1.509 -0.276 -0.405) 1.587 ======================= Grid point 244 (92/125) ======================= q-point: (-0.56 -0.33 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -2.158 0.000 1.081) 2.413 1.250 ( 2.065 -0.000 -4.331) 4.798 1.398 ( -8.992 0.000 -2.155) 9.247 1.470 ( -9.702 -0.000 -3.806) 10.422 1.773 ( -8.745 0.000 -4.107) 9.661 1.846 ( -1.006 0.000 -4.192) 4.311 2.016 ( 1.423 0.000 -3.191) 3.493 2.123 ( 7.709 0.000 -3.685) 8.544 2.262 ( 5.281 -0.000 0.096) 5.282 2.265 ( -0.959 0.000 -3.037) 3.185 2.513 ( -1.716 0.000 1.093) 2.035 2.530 ( 0.076 -0.000 1.402) 1.404 2.686 ( -0.454 0.000 -0.805) 0.924 2.711 ( 0.159 -0.000 -4.309) 4.311 2.805 ( 2.640 -0.000 -2.517) 3.647 2.902 ( -1.615 0.000 -4.580) 4.857 3.227 ( -1.237 0.000 0.712) 1.428 3.284 ( -3.621 0.000 -1.743) 4.018 4.008 ( 1.901 0.000 2.375) 3.043 4.064 ( 1.653 -0.000 -0.303) 1.680 4.689 ( 0.284 0.000 4.145) 4.155 4.766 ( -0.453 0.000 -0.057) 0.456 5.042 ( 2.213 0.000 0.745) 2.336 5.082 ( 2.955 0.000 -0.546) 3.005 5.222 ( -5.074 0.000 0.334) 5.085 5.284 ( -2.591 0.000 -1.672) 3.084 5.476 ( 0.325 0.000 3.283) 3.299 5.529 ( -0.026 0.000 1.104) 1.104 5.705 ( 3.340 0.000 1.425) 3.632 5.773 ( 5.229 0.000 -1.836) 5.542 6.017 ( -0.469 0.000 2.747) 2.787 6.018 ( 1.558 -0.000 2.441) 2.896 6.318 ( -1.296 0.000 -0.452) 1.373 6.380 ( 0.441 0.000 -3.028) 3.060 6.910 ( -0.400 0.000 -0.014) 0.401 6.930 ( -0.566 0.000 -0.741) 0.933 9.331 ( 1.030 0.000 0.187) 1.047 9.340 ( 0.760 -0.000 -0.202) 0.787 11.730 ( -0.226 0.000 0.649) 0.687 11.746 ( -1.049 -0.000 -0.207) 1.069 11.834 ( -0.796 0.000 2.048) 2.197 11.892 ( -0.852 0.000 -0.955) 1.280 ======================= Grid point 254 (93/125) ======================= q-point: ( 0.33 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -2.953 14.481 -2.398) 14.972 1.127 ( -7.434 14.551 -6.803) 17.700 1.343 ( -2.351 -9.563 0.506) 9.860 1.468 ( -6.245 -8.694 -5.401) 11.989 1.679 ( -1.862 0.630 -5.685) 6.016 1.819 ( -2.813 -0.179 -7.727) 8.226 1.943 ( -3.839 10.460 -0.705) 11.164 2.150 ( -0.692 2.857 -1.336) 3.229 2.275 ( 4.852 -3.173 -1.989) 6.129 2.373 ( 3.825 -5.168 -0.370) 6.440 2.503 ( 0.320 -0.487 1.466) 1.578 2.549 ( -0.213 -3.401 -0.791) 3.498 2.645 ( 3.105 4.589 -2.505) 6.081 2.744 ( 0.351 1.111 -1.288) 1.737 2.859 ( -1.235 -1.058 -4.266) 4.566 2.919 ( 0.816 -6.942 -4.105) 8.106 3.180 ( -2.836 1.973 0.600) 3.506 3.250 ( -2.118 -2.556 0.272) 3.331 3.992 ( 1.092 5.222 1.555) 5.557 4.126 ( 1.152 -4.304 1.222) 4.620 4.699 ( 1.009 -0.215 4.222) 4.346 4.762 ( -0.703 -0.677 1.010) 1.405 5.047 ( 1.051 2.216 1.194) 2.728 5.109 ( 1.615 1.732 -0.012) 2.368 5.168 ( -2.347 -0.116 -0.447) 2.393 5.270 ( -1.105 -1.873 -2.662) 3.437 5.451 ( 0.458 2.267 2.102) 3.125 5.535 ( -2.563 -2.890 2.171) 4.431 5.755 ( 4.982 2.601 1.507) 5.818 5.854 ( 4.771 0.826 -1.140) 4.974 5.980 ( -0.171 3.597 2.754) 4.534 6.073 ( 2.396 -2.871 2.242) 4.360 6.298 ( -0.605 0.300 -0.934) 1.153 6.383 ( -0.271 -0.265 -3.298) 3.320 6.890 ( -1.615 1.062 -0.206) 1.944 6.935 ( -0.390 -1.829 -0.600) 1.965 9.337 ( 0.698 0.876 0.014) 1.120 9.360 ( 0.895 -0.880 0.063) 1.257 11.713 ( 0.446 2.168 0.243) 2.226 11.748 ( 0.037 -0.606 0.223) 0.647 11.821 ( -1.205 -0.577 1.710) 2.170 11.875 ( -2.227 -1.102 -0.719) 2.586 ======================= Grid point 255 (94/125) ======================= q-point: ( 0.44 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -2.320 14.907 -0.000) 15.087 1.152 ( -2.866 6.027 -0.000) 6.674 1.327 ( -8.856 -6.238 0.000) 10.832 1.395 ( -6.483 -11.123 0.000) 12.875 1.711 ( -5.871 3.430 -0.000) 6.799 1.739 ( -5.018 -1.374 0.000) 5.203 2.048 ( 1.199 7.088 -0.000) 7.188 2.082 ( 5.634 1.352 -0.000) 5.794 2.233 ( 1.784 1.848 -0.000) 2.568 2.309 ( 0.943 -8.602 0.000) 8.654 2.518 ( 1.714 2.036 -0.000) 2.661 2.540 ( -2.823 -1.977 0.000) 3.447 2.630 ( 2.166 6.589 -0.000) 6.936 2.725 ( 1.140 -6.444 0.000) 6.544 2.812 ( -0.586 0.749 -0.000) 0.951 2.839 ( 0.542 -3.695 0.000) 3.735 3.226 ( -2.618 2.234 -0.000) 3.442 3.251 ( -1.705 -1.822 0.000) 2.495 4.030 ( 1.464 4.937 -0.000) 5.150 4.091 ( 2.272 -4.925 0.000) 5.424 4.749 ( 0.670 0.305 -0.000) 0.737 4.755 ( 0.374 -0.550 0.000) 0.665 5.069 ( 2.730 2.915 -0.000) 3.993 5.089 ( 1.898 -0.383 -0.000) 1.936 5.207 ( -3.145 1.041 0.000) 3.313 5.228 ( -3.402 -2.349 0.000) 4.135 5.494 ( -0.204 4.212 -0.000) 4.217 5.547 ( -1.437 -4.218 0.000) 4.456 5.755 ( 5.220 3.265 -0.000) 6.157 5.788 ( 5.372 -2.014 0.000) 5.737 6.027 ( 0.368 3.656 -0.000) 3.675 6.070 ( 1.204 -3.010 0.000) 3.241 6.314 ( -1.045 1.743 -0.000) 2.032 6.334 ( -0.604 -1.321 0.000) 1.452 6.905 ( -1.065 0.875 -0.000) 1.379 6.921 ( -0.442 -1.605 0.000) 1.665 9.337 ( 0.840 0.896 -0.000) 1.228 9.348 ( 1.010 -0.873 0.000) 1.335 11.727 ( -0.258 1.758 -0.000) 1.776 11.745 ( -0.174 -1.135 0.000) 1.148 11.855 ( -1.289 0.528 -0.000) 1.393 11.867 ( -1.482 -1.431 0.000) 2.060 ======================= Grid point 264 (95/125) ======================= q-point: ( 0.33 -0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -2.009 18.614 -0.000) 18.722 0.876 ( -5.836 20.048 -0.000) 20.880 1.283 ( -11.781 9.110 -0.000) 14.892 1.447 ( -3.965 -9.954 0.000) 10.714 1.620 ( 1.589 -2.423 0.000) 2.897 1.704 ( -3.399 -3.222 0.000) 4.684 1.886 ( -2.899 4.985 -0.000) 5.767 2.138 ( 3.778 2.109 -0.000) 4.327 2.310 ( 4.745 -1.468 -0.000) 4.967 2.424 ( -1.802 -7.060 0.000) 7.287 2.530 ( 0.072 -1.315 0.000) 1.317 2.573 ( 1.289 -5.997 0.000) 6.134 2.629 ( 6.667 4.613 -0.000) 8.107 2.713 ( -1.442 3.506 -0.000) 3.791 2.821 ( 0.187 -1.746 0.000) 1.756 2.906 ( -3.270 -3.881 0.000) 5.075 3.162 ( -2.258 -1.199 0.000) 2.556 3.269 ( 0.081 -3.484 0.000) 3.485 3.983 ( 1.712 5.952 -0.000) 6.193 4.170 ( 0.141 -3.956 0.000) 3.958 4.752 ( -0.244 0.075 0.000) 0.255 4.775 ( 0.963 -1.154 0.000) 1.503 5.066 ( 2.934 3.734 -0.000) 4.749 5.085 ( 0.223 2.701 -0.000) 2.710 5.169 ( -2.125 -1.112 0.000) 2.398 5.227 ( -1.675 -2.049 0.000) 2.646 5.464 ( 1.579 1.719 -0.000) 2.334 5.552 ( -3.351 -2.825 0.000) 4.383 5.785 ( 4.329 4.489 -0.000) 6.236 5.879 ( 4.583 0.108 -0.000) 4.585 5.980 ( -0.361 3.973 -0.000) 3.989 6.138 ( 3.838 -2.620 0.000) 4.647 6.284 ( -0.437 0.428 -0.000) 0.612 6.337 ( -0.953 -0.854 0.000) 1.280 6.865 ( -2.409 1.395 -0.000) 2.784 6.939 ( -0.219 -1.927 0.000) 1.940 9.336 ( 0.502 0.908 -0.000) 1.038 9.372 ( 0.725 -0.890 0.000) 1.148 11.711 ( 2.019 2.397 -0.000) 3.134 11.753 ( 0.039 0.013 -0.000) 0.041 11.839 ( -0.886 -1.030 0.000) 1.359 11.851 ( -3.813 -1.919 0.000) 4.268 ======================= Grid point 274 (96/125) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 0.000 19.778 -0.000) 19.778 0.839 ( 0.000 19.915 -0.000) 19.915 1.177 ( 0.000 19.740 -0.000) 19.740 1.418 ( -0.000 -12.726 0.000) 12.726 1.645 ( -0.000 -8.103 0.000) 8.103 1.664 ( 0.000 0.482 -0.000) 0.482 1.868 ( 0.000 3.424 -0.000) 3.424 2.164 ( 0.000 2.018 -0.000) 2.018 2.372 ( -0.000 -5.621 0.000) 5.621 2.380 ( -0.000 -3.078 0.000) 3.078 2.543 ( -0.000 -0.421 0.000) 0.421 2.566 ( -0.000 -9.163 0.000) 9.163 2.694 ( 0.000 2.624 -0.000) 2.624 2.716 ( 0.000 4.499 -0.000) 4.499 2.832 ( -0.000 -1.634 0.000) 1.634 2.853 ( 0.000 0.884 -0.000) 0.884 3.143 ( -0.000 -2.774 0.000) 2.774 3.270 ( -0.000 -4.755 0.000) 4.755 4.002 ( 0.000 5.254 -0.000) 5.254 4.166 ( -0.000 -2.764 0.000) 2.764 4.749 ( 0.000 0.331 -0.000) 0.331 4.782 ( -0.000 -1.466 0.000) 1.466 5.075 ( 0.000 0.625 -0.000) 0.625 5.114 ( 0.000 5.778 -0.000) 5.778 5.139 ( -0.000 -3.050 0.000) 3.050 5.214 ( 0.000 0.057 -0.000) 0.057 5.488 ( 0.000 0.187 -0.000) 0.187 5.514 ( -0.000 -1.774 0.000) 1.774 5.819 ( 0.000 4.665 -0.000) 4.665 5.923 ( -0.000 -0.723 0.000) 0.723 5.972 ( 0.000 5.451 -0.000) 5.451 6.181 ( -0.000 -5.266 0.000) 5.266 6.286 ( -0.000 -0.025 0.000) 0.025 6.321 ( -0.000 -1.293 0.000) 1.293 6.843 ( 0.000 2.680 -0.000) 2.680 6.937 ( -0.000 -2.018 0.000) 2.018 9.340 ( 0.000 0.938 -0.000) 0.938 9.378 ( -0.000 -0.944 0.000) 0.944 11.749 ( 0.000 0.530 -0.000) 0.530 11.750 ( 0.000 0.798 -0.000) 0.798 11.801 ( 0.000 0.224 -0.000) 0.224 11.832 ( -0.000 -1.603 0.000) 1.603 ======================= Grid point 275 (97/125) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 0.229 16.651 2.530) 16.844 1.030 ( -4.497 16.152 5.788) 17.737 1.324 ( 0.015 -10.481 0.099) 10.482 1.385 ( -3.920 -4.538 7.790) 9.831 1.694 ( 2.634 1.262 8.762) 9.236 1.768 ( -3.613 0.176 9.155) 9.843 1.894 ( -1.791 11.115 -0.566) 11.272 2.141 ( -0.460 0.158 -2.335) 2.385 2.332 ( 2.244 -4.421 0.515) 4.984 2.405 ( 0.638 -9.106 5.068) 10.441 2.505 ( -0.010 -1.095 -1.234) 1.650 2.537 ( -0.457 -2.219 0.065) 2.266 2.708 ( 3.693 3.165 0.495) 4.889 2.747 ( -0.799 3.144 1.401) 3.534 2.855 ( 1.699 -0.777 4.292) 4.680 2.907 ( -2.446 -2.709 4.400) 5.716 3.146 ( -1.241 0.349 0.388) 1.346 3.227 ( -0.817 -4.197 -1.578) 4.557 4.010 ( 0.959 5.810 -1.975) 6.211 4.132 ( -0.095 -3.691 -1.656) 4.047 4.718 ( 1.340 -0.202 -3.246) 3.517 4.746 ( -1.249 -0.867 -2.557) 2.975 5.059 ( 0.597 1.241 -1.322) 1.909 5.104 ( -1.270 -1.420 -1.286) 2.299 5.169 ( 1.282 3.985 1.938) 4.613 5.255 ( -0.790 -1.957 2.773) 3.485 5.464 ( 1.315 0.391 -1.831) 2.288 5.496 ( -2.315 -1.719 -1.981) 3.498 5.823 ( 3.442 3.246 -1.451) 4.948 5.889 ( -0.102 0.478 -1.666) 1.736 5.985 ( 0.534 5.091 -2.110) 5.536 6.113 ( 2.139 -4.666 -1.894) 5.471 6.304 ( 1.352 0.416 1.958) 2.416 6.365 ( -1.869 -1.811 3.259) 4.171 6.868 ( -0.993 2.533 0.436) 2.755 6.931 ( -0.198 -2.250 0.607) 2.338 9.344 ( 0.282 0.969 -0.027) 1.009 9.370 ( 0.353 -1.025 -0.104) 1.089 11.731 ( 1.546 1.744 -0.935) 2.511 11.751 ( 0.027 0.170 -0.380) 0.417 11.804 ( -0.670 -0.263 -0.638) 0.961 11.837 ( -2.205 -1.326 0.681) 2.662 ======================= Grid point 276 (98/125) ======================= q-point: ( 0.56 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 0.206 7.728 2.949) 8.274 1.200 ( -4.048 -2.364 0.690) 4.738 1.345 ( -3.291 9.033 6.176) 11.426 1.490 ( -3.967 -11.633 7.649) 14.476 1.828 ( 1.969 3.542 4.951) 6.398 1.886 ( 0.168 -1.968 4.681) 5.080 2.076 ( -1.648 2.757 2.331) 3.969 2.121 ( -1.781 -0.341 2.691) 3.245 2.330 ( 1.518 1.835 2.769) 3.652 2.426 ( 0.071 -2.082 1.713) 2.697 2.521 ( 1.680 1.934 4.102) 4.836 2.560 ( -0.623 -3.211 4.186) 5.312 2.719 ( 2.320 1.824 1.869) 3.493 2.798 ( -0.410 0.340 2.166) 2.231 2.932 ( 0.765 0.371 4.369) 4.451 2.994 ( 2.119 -3.583 5.638) 7.008 3.176 ( -3.232 2.225 1.369) 4.156 3.215 ( -3.628 -3.399 2.754) 5.683 3.994 ( 1.386 3.903 -2.288) 4.732 4.071 ( -0.451 -3.127 -2.437) 3.990 4.629 ( 2.054 -0.379 -4.193) 4.685 4.712 ( -2.569 -0.495 -2.452) 3.586 5.046 ( 0.398 0.915 -0.303) 1.043 5.090 ( -1.329 -0.772 -0.977) 1.822 5.202 ( 1.669 1.653 0.970) 2.541 5.279 ( -0.983 -1.150 0.012) 1.513 5.415 ( 0.645 0.376 -2.845) 2.941 5.458 ( -1.926 -1.037 -2.970) 3.688 5.771 ( 4.238 0.887 -1.563) 4.603 5.887 ( -2.603 1.154 -1.065) 3.040 5.951 ( 4.207 4.145 -2.634) 6.467 6.034 ( 2.455 -4.175 -1.821) 5.174 6.329 ( 1.286 0.071 1.753) 2.175 6.418 ( -1.953 -0.274 1.445) 2.445 6.900 ( -0.706 2.017 0.773) 2.273 6.932 ( -0.491 -1.956 0.649) 2.119 9.345 ( 0.526 0.803 -0.145) 0.971 9.357 ( 0.493 -0.847 -0.276) 1.018 11.722 ( 0.380 1.825 -0.593) 1.956 11.739 ( 0.215 -0.858 -0.515) 1.023 11.791 ( 0.422 -0.181 -0.556) 0.721 11.862 ( -2.778 -0.502 0.482) 2.864 ======================= Grid point 277 (99/125) ======================= q-point: ( 0.67 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 1.867 -0.000 3.105) 3.623 1.225 ( -3.217 -0.000 1.294) 3.468 1.534 ( -3.466 -0.000 4.559) 5.727 1.632 ( -3.449 -0.000 10.296) 10.858 1.895 ( 0.186 0.000 -2.558) 2.565 1.898 ( -0.895 -0.000 0.957) 1.310 2.093 ( -0.715 -0.000 3.460) 3.533 2.165 ( -0.376 -0.000 0.250) 0.452 2.384 ( 2.993 0.000 3.083) 4.297 2.402 ( 2.352 0.000 -1.838) 2.985 2.598 ( 2.958 0.000 3.261) 4.403 2.664 ( -1.917 -0.000 4.134) 4.557 2.773 ( 1.391 -0.000 4.727) 4.928 2.823 ( -1.864 -0.000 -0.728) 2.001 2.985 ( -0.140 -0.000 1.946) 1.951 2.986 ( 3.159 0.000 -1.035) 3.324 3.346 ( -5.434 -0.000 10.865) 12.149 3.350 ( -3.096 -0.000 9.986) 10.455 3.957 ( 1.557 0.000 -1.302) 2.030 4.030 ( -0.730 0.000 -1.689) 1.840 4.543 ( 1.774 0.000 -3.668) 4.074 4.693 ( -3.417 -0.000 -1.838) 3.880 5.050 ( 0.143 -0.000 0.304) 0.336 5.068 ( 0.385 0.000 -1.796) 1.837 5.211 ( -0.289 -0.000 0.506) 0.583 5.254 ( -0.116 0.000 -2.550) 2.552 5.364 ( 0.542 0.000 -2.295) 2.358 5.411 ( -1.270 0.000 -2.948) 3.210 5.725 ( 3.086 0.000 -0.862) 3.204 5.856 ( 0.247 0.000 -4.003) 4.010 5.927 ( 1.970 0.000 1.895) 2.733 5.964 ( 2.731 0.000 -2.170) 3.488 6.349 ( 0.130 -0.000 1.000) 1.009 6.438 ( -1.116 -0.000 -0.292) 1.153 6.928 ( -0.401 -0.000 1.053) 1.127 6.936 ( -0.248 -0.000 0.191) 0.313 9.341 ( 0.583 0.000 -0.097) 0.591 9.345 ( 0.327 0.000 -0.409) 0.524 11.714 ( 0.770 0.000 -0.685) 1.031 11.732 ( -0.846 -0.000 0.005) 0.846 11.777 ( 0.896 0.000 -0.418) 0.989 11.887 ( -2.138 -0.000 0.303) 2.159 ======================= Grid point 285 (100/125) ======================= q-point: ( 0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 0.000 10.249 7.688) 12.812 1.072 ( 0.000 13.180 10.607) 16.918 1.336 ( -0.000 -6.055 -2.731) 6.642 1.576 ( -0.000 -6.276 8.403) 10.488 1.809 ( 0.000 2.696 -1.128) 2.923 1.915 ( 0.000 0.561 8.113) 8.132 1.948 ( 0.000 9.145 17.351) 19.613 2.105 ( -0.000 -1.602 -1.190) 1.996 2.358 ( -0.000 -2.691 -0.783) 2.803 2.465 ( -0.000 -2.721 -2.914) 3.987 2.552 ( -0.000 -0.125 1.387) 1.392 2.563 ( -0.000 -1.303 4.786) 4.961 2.718 ( 0.000 3.523 0.386) 3.544 2.773 ( 0.000 0.517 4.372) 4.402 2.963 ( -0.000 -0.045 3.039) 3.040 2.998 ( -0.000 -1.196 8.353) 8.438 3.195 ( -0.000 -2.549 -3.831) 4.602 3.222 ( -0.000 -6.278 7.044) 9.436 3.937 ( 0.000 5.986 -1.697) 6.222 4.106 ( -0.000 -2.608 -3.098) 4.049 4.670 ( -0.000 -0.854 -4.720) 4.796 4.693 ( -0.000 -2.423 -1.419) 2.808 5.036 ( 0.000 1.779 -0.620) 1.883 5.090 ( -0.000 -1.216 -0.531) 1.327 5.177 ( 0.000 3.656 0.985) 3.786 5.297 ( -0.000 -2.443 0.331) 2.465 5.439 ( -0.000 -1.173 -2.322) 2.601 5.443 ( -0.000 -1.216 -3.134) 3.362 5.799 ( 0.000 3.451 -0.875) 3.560 5.822 ( 0.000 1.875 -3.127) 3.646 5.918 ( 0.000 4.992 -2.124) 5.425 6.119 ( -0.000 -4.465 -1.662) 4.764 6.348 ( 0.000 0.634 2.209) 2.298 6.407 ( -0.000 -2.234 0.489) 2.287 6.859 ( 0.000 2.783 0.857) 2.912 6.955 ( -0.000 -1.788 0.577) 1.878 9.339 ( 0.000 0.744 -0.055) 0.746 9.373 ( -0.000 -0.928 -0.456) 1.034 11.699 ( 0.000 2.742 -1.179) 2.984 11.743 ( 0.000 0.062 -0.337) 0.342 11.800 ( 0.000 0.483 0.069) 0.488 11.849 ( -0.000 -2.009 0.468) 2.063 ======================= Grid point 286 (101/125) ======================= q-point: ( 0.56 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -0.059 3.865 6.600) 7.649 1.222 ( -0.904 -2.904 1.040) 3.214 1.402 ( -1.196 9.538 8.790) 13.026 1.661 ( -2.311 -7.492 6.214) 10.005 1.805 ( 0.496 4.735 -1.560) 5.010 2.013 ( 0.456 -7.355 2.484) 7.776 2.073 ( 0.382 2.879 0.251) 2.915 2.188 ( -0.019 -2.562 3.765) 4.554 2.388 ( 0.265 2.956 3.505) 4.593 2.414 ( -0.208 -0.011 -1.434) 1.449 2.600 ( 0.860 2.548 4.172) 4.964 2.639 ( -0.371 0.904 2.738) 2.907 2.755 ( 0.991 3.513 2.121) 4.222 2.825 ( -0.324 -0.265 0.161) 0.448 2.997 ( 0.738 -1.392 1.926) 2.489 3.041 ( 0.285 -3.711 -3.832) 5.342 3.252 ( -1.822 3.126 11.260) 11.827 3.371 ( -1.375 -6.204 12.155) 13.715 3.948 ( 0.310 3.739 -0.371) 3.770 4.035 ( -0.472 -2.360 -2.713) 3.626 4.580 ( 2.221 0.214 -3.770) 4.381 4.657 ( -2.483 -2.906 -1.890) 4.264 5.037 ( 0.253 1.785 -0.478) 1.865 5.078 ( -0.343 -1.353 -0.406) 1.453 5.199 ( 0.083 2.330 -0.284) 2.349 5.270 ( 0.305 -2.332 -1.682) 2.892 5.375 ( 1.221 -0.181 -2.315) 2.623 5.396 ( -1.555 -0.783 -2.723) 3.232 5.764 ( 3.231 1.536 -1.615) 3.925 5.812 ( -3.095 1.681 -2.517) 4.329 5.915 ( 1.448 5.248 -0.768) 5.498 6.051 ( 1.711 -4.876 -1.785) 5.467 6.367 ( 2.156 -0.193 0.801) 2.308 6.410 ( -2.475 -0.281 -0.348) 2.515 6.896 ( -0.582 2.559 1.075) 2.836 6.954 ( -0.006 -1.751 0.527) 1.828 9.340 ( 0.167 0.570 -0.215) 0.632 9.356 ( 0.208 -0.690 -0.639) 0.963 11.701 ( -0.026 2.111 -0.336) 2.137 11.735 ( -0.078 -0.582 -0.336) 0.677 11.799 ( 1.725 0.437 0.192) 1.789 11.856 ( -2.228 -1.263 0.409) 2.593 ======================= Grid point 287 (102/125) ======================= q-point: ( 0.67 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 2.165 -0.219 5.606) 6.013 1.256 ( -1.334 -0.236 3.458) 3.714 1.567 ( 1.663 3.609 2.098) 4.493 1.763 ( -4.524 -0.204 3.111) 5.494 1.789 ( -0.514 4.720 -2.032) 5.165 1.929 ( -1.327 -8.638 -2.198) 9.011 2.154 ( 0.521 4.053 3.777) 5.564 2.205 ( 1.417 -3.709 3.215) 5.109 2.385 ( 1.872 0.921 -1.436) 2.532 2.425 ( 0.510 -0.835 0.280) 1.018 2.663 ( 1.417 1.734 1.044) 2.471 2.674 ( -0.484 0.778 -0.105) 0.922 2.770 ( 0.933 2.115 -2.749) 3.592 2.803 ( -0.386 -1.484 -2.565) 2.989 2.972 ( -0.983 2.529 -0.572) 2.773 3.014 ( -0.922 -3.808 1.154) 4.084 3.490 ( -1.267 3.587 8.364) 9.189 3.547 ( -1.485 -4.547 8.491) 9.745 3.961 ( 1.264 0.796 1.204) 1.919 4.009 ( -0.867 -0.252 0.099) 0.908 4.508 ( 2.988 0.200 -1.931) 3.564 4.640 ( -4.263 -1.233 -0.728) 4.497 5.027 ( 0.587 1.830 -1.958) 2.744 5.055 ( 0.196 -1.608 -1.174) 2.001 5.205 ( -0.696 0.635 -0.794) 1.232 5.222 ( -0.161 -1.254 -0.361) 1.315 5.347 ( 1.258 0.476 -0.081) 1.347 5.369 ( -0.685 -0.400 -0.759) 1.098 5.720 ( 2.308 0.626 -1.805) 2.996 5.784 ( -1.425 0.706 -3.081) 3.467 5.932 ( 1.564 3.905 -0.036) 4.207 5.986 ( 1.439 -3.895 -0.172) 4.156 6.361 ( 0.616 -0.072 -0.028) 0.621 6.411 ( -1.762 -0.183 -1.173) 2.124 6.933 ( -0.202 1.791 0.973) 2.048 6.953 ( 0.144 -1.396 0.622) 1.535 9.336 ( 0.148 0.226 -0.427) 0.505 9.342 ( 0.052 -0.271 -0.370) 0.462 11.706 ( 0.554 0.983 -0.170) 1.142 11.731 ( -0.565 -0.542 0.232) 0.817 11.789 ( 2.292 0.133 0.178) 2.303 11.876 ( -2.446 -0.365 0.306) 2.492 ======================= Grid point 288 (103/125) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 3.991 -0.000 6.388) 7.532 1.316 ( 0.594 -0.000 1.584) 1.692 1.511 ( 3.962 0.000 -5.524) 6.798 1.657 ( 2.913 0.000 -6.873) 7.465 1.900 ( -5.916 -0.000 -1.471) 6.096 1.919 ( -6.615 -0.000 2.953) 7.244 2.186 ( 1.955 0.000 -0.353) 1.987 2.265 ( 3.538 0.000 3.541) 5.006 2.352 ( 0.600 0.000 0.218) 0.638 2.406 ( 2.406 0.000 -0.462) 2.450 2.615 ( -1.634 0.000 -5.263) 5.511 2.672 ( 2.949 0.000 0.113) 2.951 2.707 ( -0.289 0.000 -4.299) 4.308 2.744 ( -0.784 0.000 -2.666) 2.779 2.990 ( -2.736 -0.000 -1.707) 3.225 3.041 ( -2.120 -0.000 1.951) 2.881 3.527 ( 2.655 0.000 -4.193) 4.963 3.626 ( -2.299 -0.000 -0.829) 2.444 4.000 ( 0.888 -0.000 3.799) 3.902 4.015 ( 1.877 0.000 0.009) 1.877 4.492 ( 1.930 -0.000 2.848) 3.440 4.690 ( -5.660 -0.000 2.057) 6.022 4.982 ( 1.452 0.000 -2.311) 2.730 5.020 ( 0.248 0.000 -1.496) 1.517 5.210 ( -2.269 -0.000 0.672) 2.366 5.247 ( -1.887 -0.000 1.346) 2.318 5.348 ( 3.099 0.000 1.666) 3.519 5.375 ( 0.314 -0.000 1.414) 1.448 5.672 ( 1.315 0.000 -1.974) 2.371 5.747 ( -1.367 0.000 -1.984) 2.410 5.908 ( 3.718 0.000 -0.574) 3.762 6.004 ( -1.728 -0.000 2.150) 2.758 6.358 ( -0.661 -0.000 -0.380) 0.762 6.395 ( -1.333 0.000 -1.716) 2.173 6.945 ( 1.506 0.000 0.495) 1.585 6.964 ( -0.175 -0.000 0.851) 0.869 9.326 ( 0.028 0.000 -0.520) 0.520 9.341 ( -0.485 -0.000 0.110) 0.497 11.696 ( 1.633 0.000 -0.259) 1.654 11.746 ( -0.944 -0.000 0.872) 1.285 11.775 ( 2.082 0.000 0.211) 2.092 11.896 ( -1.762 -0.000 0.227) 1.777 ======================= Grid point 295 (104/125) ======================= q-point: ( 0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -0.000 1.869 0.247) 1.885 1.237 ( 0.000 -0.986 8.183) 8.242 1.525 ( 0.000 4.990 9.686) 10.896 1.699 ( -0.000 6.685 -1.725) 6.904 1.787 ( 0.000 -7.263 -1.268) 7.373 2.020 ( 0.000 -6.013 -4.541) 7.535 2.120 ( 0.000 1.356 4.900) 5.084 2.253 ( 0.000 -1.222 1.096) 1.641 2.386 ( 0.000 0.916 -1.320) 1.606 2.417 ( -0.000 2.670 1.933) 3.296 2.638 ( -0.000 4.044 -1.096) 4.190 2.652 ( 0.000 0.546 3.238) 3.284 2.785 ( -0.000 1.214 1.336) 1.805 2.795 ( 0.000 -1.953 -2.387) 3.084 2.954 ( -0.000 -0.457 -5.207) 5.227 3.048 ( 0.000 -2.778 0.737) 2.874 3.439 ( -0.000 2.486 9.990) 10.295 3.601 ( 0.000 -5.130 7.573) 9.147 3.950 ( -0.000 2.440 2.489) 3.485 4.004 ( 0.000 -0.301 -1.244) 1.280 4.518 ( 0.000 1.956 -2.497) 3.172 4.654 ( -0.000 -5.982 -0.751) 6.029 5.006 ( 0.000 2.051 -1.497) 2.539 5.072 ( -0.000 -0.637 -1.178) 1.339 5.191 ( -0.000 0.166 0.704) 0.723 5.251 ( 0.000 -2.410 -2.067) 3.175 5.357 ( -0.000 0.198 -0.202) 0.283 5.360 ( 0.000 0.091 -0.472) 0.480 5.736 ( -0.000 1.742 -2.577) 3.110 5.743 ( 0.000 1.348 -1.784) 2.236 5.889 ( 0.000 4.423 0.675) 4.474 6.046 ( -0.000 -3.158 -2.155) 3.823 6.379 ( 0.000 -0.381 -1.231) 1.289 6.396 ( -0.000 -0.937 0.329) 0.993 6.903 ( -0.000 2.269 1.597) 2.774 6.969 ( 0.000 -0.807 0.251) 0.845 9.335 ( 0.000 0.214 -0.177) 0.278 9.346 ( -0.000 -0.360 -0.864) 0.936 11.689 ( 0.000 1.842 0.428) 1.891 11.735 ( -0.000 -0.456 0.106) 0.469 11.806 ( 0.000 1.023 0.208) 1.043 11.863 ( -0.000 -1.702 0.347) 1.737 ======================= Grid point 296 (105/125) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -0.085 4.898 1.878) 5.246 1.357 ( 0.556 -1.673 5.866) 6.126 1.609 ( 8.120 0.830 -1.735) 8.345 1.669 ( 1.978 3.322 -2.510) 4.610 1.786 ( -8.015 -1.168 1.371) 8.215 1.890 ( -3.726 -7.260 -5.063) 9.603 2.212 ( 2.264 1.632 2.372) 3.663 2.258 ( -1.499 0.931 0.302) 1.790 2.370 ( 1.978 2.330 -0.348) 3.076 2.447 ( 0.293 -1.038 1.004) 1.473 2.603 ( 1.736 2.886 -4.449) 5.580 2.691 ( -0.910 -1.748 -1.334) 2.380 2.713 ( 2.264 -0.498 -3.092) 3.864 2.750 ( -2.219 -2.202 -2.810) 4.203 2.943 ( -0.323 2.672 0.437) 2.727 3.026 ( -1.619 -2.198 -1.492) 3.111 3.538 ( 0.655 2.065 -1.414) 2.587 3.625 ( -0.521 -3.361 -1.997) 3.943 4.004 ( 1.395 1.700 2.243) 3.141 4.022 ( -0.697 0.873 2.426) 2.671 4.522 ( 1.886 1.933 2.081) 3.410 4.636 ( -2.713 -3.872 1.678) 5.017 4.985 ( 0.442 1.517 -1.671) 2.300 5.038 ( -0.006 -1.670 -1.579) 2.298 5.201 ( 0.330 -0.771 0.357) 0.912 5.223 ( -1.603 -1.102 0.251) 1.961 5.373 ( 1.507 0.944 2.154) 2.793 5.385 ( 0.025 0.075 2.483) 2.484 5.690 ( 1.298 0.654 -2.353) 2.765 5.719 ( -1.638 0.392 -2.350) 2.891 5.927 ( 0.855 3.180 0.961) 3.431 6.002 ( -0.054 -1.888 -0.450) 1.942 6.354 ( 0.192 0.007 -1.152) 1.168 6.386 ( -0.890 -1.619 -0.923) 2.065 6.944 ( 0.021 1.551 1.495) 2.155 6.970 ( 0.241 -0.376 0.411) 0.607 9.329 ( 0.256 -0.063 -0.504) 0.569 9.334 ( -0.423 -0.018 -0.329) 0.536 11.707 ( 0.487 1.197 0.589) 1.420 11.739 ( -0.308 -0.657 0.650) 0.974 11.808 ( 2.139 0.868 0.247) 2.321 11.868 ( -1.985 -1.130 0.309) 2.305 ======================= Grid point 297 (106/125) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 4.070 3.614 -2.554) 6.012 1.403 ( -0.251 -0.019 -0.241) 0.348 1.488 ( 11.270 0.344 -1.793) 11.417 1.595 ( 2.513 -0.935 -1.972) 3.329 1.826 ( -6.681 -3.361 -1.164) 7.569 1.884 ( -7.903 -0.336 0.155) 7.911 2.166 ( 3.974 0.096 -4.273) 5.836 2.247 ( 0.568 0.215 -4.445) 4.486 2.398 ( 2.084 3.340 1.625) 4.259 2.429 ( 1.818 -1.313 -0.983) 2.448 2.517 ( -0.459 0.726 -4.787) 4.864 2.577 ( -1.697 -0.483 -7.377) 7.585 2.688 ( 0.387 1.725 -0.942) 2.003 2.724 ( 0.873 -3.639 0.366) 3.760 2.934 ( -0.617 -0.135 -2.445) 2.525 3.020 ( -4.632 0.432 -1.325) 4.837 3.428 ( 3.374 1.043 -8.071) 8.810 3.531 ( -2.221 -1.325 -6.867) 7.338 4.032 ( 3.357 1.948 0.561) 3.921 4.081 ( -0.080 -0.033 3.889) 3.890 4.578 ( 1.480 0.771 4.382) 4.689 4.692 ( -4.431 -1.164 2.133) 5.054 4.960 ( 1.724 0.873 -1.138) 2.242 5.007 ( -0.251 -1.787 -0.475) 1.866 5.208 ( -1.222 -0.163 0.440) 1.310 5.247 ( -2.909 -0.603 0.666) 3.045 5.413 ( 2.853 1.421 3.059) 4.418 5.435 ( 1.433 -0.891 3.723) 4.088 5.644 ( 0.664 -0.208 -1.792) 1.922 5.705 ( -2.736 0.053 -0.781) 2.846 5.936 ( 3.371 0.499 0.743) 3.488 6.017 ( -2.274 0.285 1.120) 2.551 6.337 ( -0.647 0.661 -1.106) 1.442 6.360 ( -1.087 -1.715 -1.492) 2.520 6.967 ( 1.280 0.460 0.785) 1.571 6.978 ( 0.188 0.255 0.737) 0.802 9.318 ( 0.156 -0.033 -0.432) 0.460 9.336 ( -0.939 0.003 -0.027) 0.939 11.710 ( 2.120 0.180 0.324) 2.153 11.760 ( -0.980 -0.058 1.401) 1.711 11.798 ( 2.545 0.256 0.402) 2.589 11.886 ( -2.252 -0.324 0.331) 2.299 ======================= Grid point 298 (107/125) ======================= q-point: (-0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 11.251 0.000 -7.458) 13.498 1.244 ( 12.347 0.000 -8.920) 15.232 1.502 ( -1.073 -0.000 3.329) 3.498 1.588 ( -2.504 -0.000 0.737) 2.610 1.815 ( 5.591 0.000 -4.836) 7.392 1.916 ( -3.040 -0.000 -1.049) 3.216 2.011 ( 1.586 0.000 -6.025) 6.230 2.119 ( 5.116 0.000 -5.794) 7.730 2.327 ( -2.234 0.000 -11.724) 11.935 2.358 ( 1.438 0.000 -2.756) 3.109 2.489 ( -4.619 -0.000 -4.000) 6.111 2.533 ( -3.766 -0.000 3.277) 4.992 2.701 ( 1.638 0.000 0.133) 1.643 2.706 ( 1.536 -0.000 1.766) 2.340 2.894 ( -1.765 0.000 -2.719) 3.241 3.035 ( -7.042 -0.000 -1.829) 7.275 3.265 ( 5.153 0.000 -6.234) 8.088 3.435 ( -2.536 0.000 -4.683) 5.325 3.994 ( 6.564 0.000 -0.883) 6.624 4.154 ( -1.598 -0.000 3.081) 3.471 4.650 ( -0.653 -0.000 3.127) 3.194 4.742 ( -3.511 -0.000 0.436) 3.538 4.929 ( 2.706 0.000 -0.531) 2.757 5.004 ( -0.113 -0.000 0.469) 0.482 5.217 ( -1.230 -0.000 -0.764) 1.448 5.279 ( -3.661 -0.000 0.381) 3.681 5.459 ( 1.138 -0.000 3.038) 3.244 5.479 ( 2.600 -0.000 3.189) 4.115 5.624 ( -1.098 -0.000 -0.319) 1.143 5.734 ( -3.087 -0.000 1.444) 3.409 5.923 ( 4.602 0.000 1.107) 4.733 6.053 ( -2.472 -0.000 0.310) 2.491 6.330 ( -1.396 -0.000 -1.143) 1.804 6.331 ( -0.819 0.000 -1.609) 1.805 6.965 ( 2.325 0.000 0.267) 2.341 6.988 ( 0.538 0.000 0.479) 0.721 9.311 ( -0.059 0.000 -0.312) 0.318 9.347 ( -1.423 -0.000 0.126) 1.428 11.692 ( 3.325 0.000 -0.032) 3.325 11.789 ( 2.245 0.000 0.482) 2.296 11.799 ( -1.092 -0.000 1.927) 2.215 11.910 ( -1.836 -0.000 0.721) 1.972 ======================= Grid point 299 (108/125) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 18.816 0.000 -0.000) 18.816 1.004 ( 17.175 0.000 -0.000) 17.175 1.525 ( -2.603 -0.000 0.000) 2.603 1.606 ( -5.492 -0.000 0.000) 5.492 1.666 ( 25.878 0.000 -0.000) 25.878 1.842 ( -3.449 -0.000 0.000) 3.449 1.999 ( -6.931 -0.000 0.000) 6.931 1.999 ( -0.042 -0.000 0.000) 0.042 2.058 ( 8.096 0.000 -0.000) 8.096 2.233 ( -4.380 -0.000 0.000) 4.380 2.473 ( -6.971 -0.000 0.000) 6.971 2.594 ( -5.015 -0.000 0.000) 5.015 2.694 ( -0.366 -0.000 0.000) 0.366 2.750 ( 3.528 0.000 -0.000) 3.528 2.832 ( 0.699 0.000 -0.000) 0.699 2.990 ( -11.990 -0.000 0.000) 11.990 3.158 ( 7.118 0.000 -0.000) 7.118 3.371 ( -2.417 -0.000 0.000) 2.417 3.971 ( 7.456 0.000 -0.000) 7.456 4.187 ( -4.189 -0.000 0.000) 4.189 4.692 ( -1.202 -0.000 0.000) 1.202 4.751 ( -1.498 -0.000 0.000) 1.498 4.928 ( 2.921 0.000 -0.000) 2.921 5.029 ( 0.275 0.000 -0.000) 0.275 5.191 ( -0.953 -0.000 0.000) 0.953 5.281 ( -4.552 -0.000 0.000) 4.552 5.499 ( 0.070 0.000 -0.000) 0.070 5.545 ( 4.177 0.000 -0.000) 4.177 5.625 ( -3.310 -0.000 0.000) 3.310 5.792 ( -4.830 -0.000 0.000) 4.830 5.953 ( 5.423 0.000 -0.000) 5.423 6.044 ( 1.257 0.000 -0.000) 1.257 6.297 ( -0.662 -0.000 0.000) 0.662 6.298 ( -0.400 -0.000 0.000) 0.400 6.962 ( 2.655 0.000 -0.000) 2.655 6.997 ( 0.749 0.000 -0.000) 0.749 9.305 ( -0.025 -0.000 0.000) 0.025 9.349 ( -1.641 -0.000 0.000) 1.641 11.692 ( 4.121 0.000 -0.000) 4.121 11.800 ( 2.421 0.000 -0.000) 2.421 11.841 ( -1.838 -0.000 0.000) 1.838 11.940 ( -3.214 -0.000 0.000) 3.214 ======================= Grid point 305 (109/125) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -0.000 7.505 0.880) 7.557 1.400 ( -0.000 2.237 -2.669) 3.483 1.562 ( -0.000 0.379 -1.648) 1.691 1.716 ( -0.000 -3.279 -3.288) 4.644 1.754 ( -0.000 -2.305 1.399) 2.696 1.856 ( -0.000 -7.089 0.537) 7.110 2.188 ( -0.000 1.699 -4.225) 4.554 2.241 ( -0.000 -0.139 -0.642) 0.657 2.384 ( -0.000 2.986 1.828) 3.501 2.428 ( -0.000 4.061 -2.812) 4.940 2.504 ( -0.000 1.293 -6.087) 6.223 2.578 ( -0.000 -1.684 -7.054) 7.253 2.672 ( -0.000 0.660 -4.087) 4.140 2.783 ( -0.000 -4.595 2.155) 5.075 2.950 ( -0.000 -0.266 1.028) 1.062 2.965 ( -0.000 -0.187 -4.645) 4.648 3.431 ( -0.000 1.343 -8.524) 8.629 3.549 ( -0.000 -2.811 -6.811) 7.368 4.019 ( -0.000 3.963 1.369) 4.193 4.067 ( -0.000 1.850 2.770) 3.331 4.574 ( -0.000 1.902 3.869) 4.311 4.696 ( -0.000 -4.393 2.412) 5.012 4.960 ( -0.000 0.637 -0.595) 0.871 5.028 ( -0.000 -1.471 -0.561) 1.574 5.225 ( -0.000 -2.042 0.343) 2.071 5.227 ( 0.000 -1.578 0.929) 1.832 5.421 ( 0.000 1.762 2.899) 3.393 5.443 ( -0.000 0.836 3.904) 3.992 5.663 ( -0.000 -0.553 -0.837) 1.003 5.673 ( -0.000 -0.362 -1.727) 1.764 5.937 ( -0.000 3.118 1.855) 3.628 6.001 ( -0.000 -0.319 -0.119) 0.340 6.334 ( -0.000 -0.793 -1.216) 1.451 6.378 ( -0.000 -2.381 -1.156) 2.646 6.964 ( -0.000 1.311 1.441) 1.948 6.974 ( -0.000 0.880 0.054) 0.882 9.321 ( -0.000 0.147 -0.464) 0.487 9.328 ( -0.000 -0.242 -0.165) 0.293 11.718 ( -0.000 1.135 1.082) 1.568 11.757 ( -0.000 -0.716 1.029) 1.253 11.814 ( -0.000 1.355 0.332) 1.395 11.875 ( -0.000 -1.523 0.293) 1.551 ======================= Grid point 307 (110/125) ======================= q-point: (-0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 7.798 4.605 -2.734) 9.460 1.361 ( -0.458 2.558 -1.898) 3.218 1.486 ( 4.824 -0.687 -4.960) 6.953 1.587 ( -2.743 -5.123 -3.905) 7.001 1.824 ( -3.360 -0.975 3.140) 4.701 1.864 ( -2.500 -2.836 1.175) 3.959 2.101 ( 4.118 2.203 -5.538) 7.245 2.201 ( 4.417 -1.451 -2.163) 5.128 2.318 ( 2.412 0.817 -10.326) 10.636 2.370 ( 1.229 2.280 -4.047) 4.805 2.388 ( -5.387 1.605 -6.950) 8.939 2.494 ( -3.246 -3.502 -0.814) 4.843 2.685 ( 0.239 3.706 2.374) 4.408 2.761 ( 2.223 -2.131 -0.846) 3.194 2.892 ( -1.321 -0.455 -3.201) 3.492 2.948 ( -3.005 -1.704 -2.157) 4.073 3.303 ( 1.569 2.990 -5.286) 6.272 3.416 ( -0.808 -2.803 -5.444) 6.176 4.054 ( 3.380 3.132 0.619) 4.650 4.118 ( -1.885 1.232 1.293) 2.597 4.643 ( 0.768 1.373 2.816) 3.225 4.715 ( -1.908 -2.804 1.237) 3.611 4.957 ( 1.451 0.965 0.120) 1.747 5.014 ( -0.603 -1.789 0.036) 1.888 5.213 ( 0.590 -1.390 -0.022) 1.510 5.241 ( -2.695 -1.851 0.212) 3.276 5.470 ( 2.433 1.975 2.182) 3.819 5.512 ( -0.473 -0.347 3.128) 3.182 5.633 ( 1.984 -0.740 -0.491) 2.174 5.681 ( -3.740 -0.240 0.689) 3.811 5.976 ( 2.477 1.041 1.694) 3.177 6.017 ( -1.604 0.553 1.075) 2.008 6.311 ( -0.268 -0.175 -1.021) 1.070 6.341 ( -0.537 -2.221 -1.508) 2.738 6.981 ( 0.811 1.203 0.280) 1.477 6.989 ( 0.129 0.806 0.621) 1.025 9.314 ( 0.386 0.045 -0.233) 0.453 9.328 ( -0.947 -0.110 -0.115) 0.960 11.736 ( 2.148 0.528 0.813) 2.356 11.777 ( -1.202 -0.081 1.085) 1.621 11.823 ( 1.929 0.667 0.799) 2.192 11.880 ( -1.999 -0.908 0.358) 2.224 ======================= Grid point 308 (111/125) ======================= q-point: (-0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 13.990 2.998 -4.117) 14.888 1.189 ( 14.990 -3.151 -7.804) 17.191 1.475 ( -7.296 2.344 -0.351) 7.672 1.563 ( -7.854 -3.346 -0.997) 8.595 1.852 ( -0.719 1.402 -1.633) 2.269 1.880 ( 12.942 -2.219 0.158) 13.132 1.952 ( 1.510 -1.384 -2.011) 2.871 2.088 ( 3.728 1.838 -7.480) 8.558 2.134 ( 5.834 -0.350 -3.394) 6.758 2.272 ( -1.480 -0.406 -5.757) 5.958 2.400 ( -7.477 2.980 -0.169) 8.051 2.537 ( -7.864 -3.052 1.674) 8.600 2.704 ( 1.468 0.514 -0.823) 1.759 2.753 ( 1.653 1.216 1.484) 2.532 2.853 ( -0.136 -0.804 -1.552) 1.753 2.931 ( -8.136 -0.108 -2.469) 8.503 3.228 ( 5.368 0.163 -2.100) 5.767 3.359 ( -2.817 0.317 -1.616) 3.263 4.027 ( 6.124 0.786 -0.518) 6.196 4.157 ( -3.415 0.680 0.113) 3.483 4.679 ( 0.036 0.227 1.050) 1.075 4.734 ( -2.269 -0.835 0.443) 2.458 4.948 ( 2.928 0.354 0.220) 2.957 5.019 ( -0.682 -0.725 0.766) 1.256 5.197 ( -0.273 -0.693 -0.751) 1.058 5.255 ( -3.820 -1.284 -0.133) 4.032 5.491 ( 1.890 2.164 0.726) 2.963 5.555 ( 1.061 -1.528 2.234) 2.907 5.613 ( -0.110 -0.517 -0.325) 0.621 5.736 ( -4.522 0.377 1.538) 4.791 5.979 ( 4.178 0.035 1.145) 4.332 6.047 ( -0.672 -0.070 0.561) 0.879 6.299 ( -0.498 0.355 -0.748) 0.966 6.310 ( -0.709 -1.345 -1.133) 1.896 6.980 ( 1.864 0.654 -0.042) 1.976 6.998 ( 0.468 0.511 0.253) 0.738 9.308 ( 0.279 -0.075 -0.147) 0.324 9.336 ( -1.475 0.038 0.005) 1.476 11.721 ( 3.758 -0.129 0.187) 3.764 11.806 ( 0.212 1.540 0.579) 1.659 11.824 ( 0.310 -1.287 0.912) 1.608 11.906 ( -2.815 0.113 0.732) 2.911 ======================= Grid point 316 (112/125) ======================= q-point: (-0.22 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 0.000 3.163 -1.428) 3.471 1.286 ( -0.000 4.781 -0.253) 4.788 1.454 ( 0.000 -4.807 -3.940) 6.215 1.484 ( -0.000 -6.935 -6.019) 9.182 1.873 ( -0.000 -2.212 0.123) 2.215 1.880 ( 0.000 -1.715 2.217) 2.803 2.018 ( -0.000 5.803 -2.115) 6.176 2.111 ( 0.000 2.348 -8.939) 9.242 2.177 ( -0.000 2.784 -5.922) 6.543 2.241 ( 0.000 4.195 -4.827) 6.395 2.383 ( -0.000 -6.547 4.097) 7.724 2.493 ( -0.000 -5.552 -0.210) 5.556 2.717 ( -0.000 2.333 1.976) 3.057 2.742 ( -0.000 -0.051 -2.709) 2.710 2.818 ( -0.000 1.510 -1.366) 2.036 2.908 ( -0.000 -1.919 -3.545) 4.031 3.255 ( -0.000 1.871 0.673) 1.988 3.345 ( -0.000 -1.295 -3.905) 4.114 4.063 ( -0.000 3.169 0.903) 3.295 4.099 ( -0.000 1.749 -0.776) 1.914 4.684 ( -0.000 0.201 2.023) 2.033 4.730 ( -0.000 -2.086 -0.526) 2.151 4.970 ( -0.000 0.660 1.104) 1.286 5.013 ( 0.000 -0.755 -0.767) 1.076 5.237 ( 0.000 -3.387 0.033) 3.387 5.239 ( -0.000 -3.045 -0.144) 3.048 5.506 ( 0.000 1.666 1.594) 2.306 5.532 ( -0.000 0.909 0.375) 0.984 5.663 ( -0.000 -0.391 0.898) 0.979 5.673 ( -0.000 -0.851 0.513) 0.994 6.017 ( -0.000 0.957 2.030) 2.244 6.029 ( -0.000 0.050 1.144) 1.145 6.301 ( -0.000 -1.003 -0.424) 1.089 6.323 ( -0.000 -1.852 -1.571) 2.429 6.978 ( -0.000 1.984 0.230) 1.998 6.988 ( -0.000 1.451 -0.080) 1.454 9.314 ( -0.000 0.125 0.071) 0.143 9.321 ( -0.000 -0.215 -0.238) 0.321 11.758 ( 0.000 0.905 0.985) 1.338 11.779 ( -0.000 0.154 -0.083) 0.175 11.848 ( -0.000 0.336 1.417) 1.456 11.880 ( 0.000 -0.927 -0.205) 0.950 ======================= Grid point 318 (113/125) ======================= q-point: (-0.11 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 14.476 2.299 -0.000) 14.658 1.264 ( 15.799 -3.851 -0.000) 16.262 1.385 ( -10.785 2.069 0.000) 10.981 1.487 ( -13.184 -5.099 0.000) 14.135 1.846 ( 4.270 -0.057 -0.000) 4.270 1.927 ( -6.205 -3.160 0.000) 6.963 2.000 ( 3.795 3.785 -0.000) 5.360 2.013 ( 9.378 1.212 -0.000) 9.456 2.127 ( 4.687 5.238 -0.000) 7.029 2.240 ( -1.142 0.672 -0.000) 1.325 2.347 ( 2.388 -2.096 0.000) 3.178 2.513 ( -11.371 -6.469 0.000) 13.083 2.700 ( 2.463 1.032 -0.000) 2.670 2.753 ( -3.458 0.691 0.000) 3.526 2.843 ( 0.613 0.214 -0.000) 0.649 2.859 ( -2.992 0.492 0.000) 3.032 3.256 ( 4.975 -0.329 -0.000) 4.986 3.318 ( -3.247 0.943 0.000) 3.381 4.058 ( 4.905 1.302 -0.000) 5.075 4.121 ( -3.792 1.461 -0.000) 4.064 4.696 ( 1.162 -0.746 0.000) 1.380 4.724 ( -2.260 -0.561 0.000) 2.328 4.973 ( 3.035 0.243 -0.000) 3.044 5.015 ( -2.367 0.179 0.000) 2.374 5.203 ( 1.397 -2.272 0.000) 2.667 5.239 ( -3.283 -2.780 0.000) 4.302 5.505 ( 3.631 1.836 -0.000) 4.069 5.564 ( -3.988 -0.065 0.000) 3.988 5.637 ( 4.314 -1.071 -0.000) 4.445 5.710 ( -4.987 0.360 0.000) 5.000 6.018 ( 3.332 0.172 -0.000) 3.336 6.053 ( -1.175 -0.293 0.000) 1.211 6.293 ( 0.185 -0.661 0.000) 0.686 6.299 ( -0.652 -1.101 0.000) 1.280 6.986 ( 1.313 1.264 -0.000) 1.823 6.996 ( -0.056 1.313 -0.000) 1.314 9.311 ( 0.636 -0.110 -0.000) 0.646 9.325 ( -1.282 0.037 0.000) 1.282 11.752 ( 3.495 0.065 -0.000) 3.496 11.795 ( -1.833 1.240 -0.000) 2.213 11.850 ( 1.923 -0.983 0.000) 2.160 11.889 ( -2.941 0.160 0.000) 2.946 ======================= Grid point 344 (114/125) ======================= q-point: (-0.56 -0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -0.459 0.000 0.758) 0.886 1.234 ( -5.474 -0.000 0.015) 5.474 1.302 ( -2.914 0.000 -8.427) 8.917 1.340 ( -7.024 -0.000 -4.829) 8.523 1.686 ( -2.022 0.000 -4.895) 5.296 1.817 ( -2.628 0.000 -6.825) 7.313 2.036 ( 0.978 0.000 -0.495) 1.096 2.162 ( -3.670 0.000 2.593) 4.494 2.272 ( 3.590 -0.000 -7.925) 8.700 2.304 ( 0.606 0.000 -1.319) 1.451 2.505 ( 0.544 0.000 -0.258) 0.602 2.522 ( -0.970 -0.000 1.142) 1.498 2.696 ( 1.872 0.000 -0.203) 1.883 2.738 ( 3.205 0.000 -2.840) 4.283 2.849 ( 2.819 0.000 -4.619) 5.411 2.871 ( -2.267 -0.000 -3.781) 4.408 3.202 ( -2.049 -0.000 0.721) 2.172 3.226 ( -3.835 0.000 0.227) 3.842 4.040 ( 2.139 0.000 2.423) 3.232 4.084 ( 0.834 -0.000 0.363) 0.910 4.698 ( 0.906 0.000 4.317) 4.411 4.758 ( -0.750 0.000 1.052) 1.292 5.061 ( 0.507 0.000 1.387) 1.477 5.117 ( 0.244 0.000 0.743) 0.782 5.171 ( -0.437 0.000 -1.048) 1.136 5.258 ( -1.171 0.000 -2.789) 3.025 5.472 ( -0.556 0.000 2.976) 3.028 5.510 ( -1.938 0.000 1.372) 2.375 5.772 ( 5.061 0.000 2.141) 5.495 5.859 ( 5.106 0.000 -2.165) 5.546 6.016 ( 0.725 0.000 3.771) 3.840 6.040 ( 1.356 -0.000 1.715) 2.186 6.301 ( -0.740 0.000 -0.675) 1.002 6.380 ( -0.761 0.000 -3.542) 3.623 6.902 ( -0.565 -0.000 -0.136) 0.581 6.919 ( -0.974 0.000 -0.749) 1.229 9.346 ( 0.907 0.000 0.151) 0.920 9.351 ( 0.663 -0.000 -0.056) 0.665 11.734 ( 0.841 0.000 0.328) 0.902 11.737 ( -0.039 -0.000 0.141) 0.147 11.817 ( -1.344 0.000 1.688) 2.157 11.868 ( -2.244 0.000 -0.893) 2.416 ======================= Grid point 354 (115/125) ======================= q-point: ( 0.44 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -1.422 17.151 -0.000) 17.210 1.113 ( -3.544 17.851 -0.000) 18.200 1.222 ( -2.799 -13.417 0.000) 13.706 1.313 ( -5.088 -13.592 0.000) 14.513 1.650 ( -2.348 4.399 -0.000) 4.986 1.683 ( -2.485 -1.397 0.000) 2.851 2.004 ( -3.835 14.001 -0.000) 14.516 2.149 ( 2.192 -3.679 0.000) 4.282 2.274 ( 2.111 -3.404 0.000) 4.005 2.298 ( -0.763 -9.112 0.000) 9.144 2.517 ( -0.471 -0.094 0.000) 0.481 2.527 ( -0.074 -1.708 0.000) 1.710 2.699 ( 5.145 5.581 -0.000) 7.591 2.744 ( 0.916 -0.176 -0.000) 0.933 2.805 ( 0.199 0.583 -0.000) 0.616 2.846 ( 0.284 -4.952 0.000) 4.960 3.179 ( -3.085 3.099 -0.000) 4.373 3.224 ( -1.739 -3.808 0.000) 4.187 4.054 ( 1.478 5.474 -0.000) 5.670 4.117 ( 1.031 -4.729 0.000) 4.840 4.755 ( 0.106 0.397 -0.000) 0.411 4.762 ( 0.502 -0.842 0.000) 0.980 5.090 ( -0.207 1.398 -0.000) 1.413 5.104 ( 0.585 -0.452 0.000) 0.740 5.177 ( -0.774 2.327 -0.000) 2.452 5.205 ( -0.058 -1.921 0.000) 1.922 5.488 ( -0.324 2.131 -0.000) 2.155 5.517 ( -2.053 -2.684 0.000) 3.379 5.835 ( 4.555 3.496 -0.000) 5.742 5.868 ( 4.616 -1.813 0.000) 4.959 6.035 ( 0.607 4.737 -0.000) 4.776 6.093 ( 1.857 -4.416 0.000) 4.791 6.298 ( -1.015 1.586 -0.000) 1.883 6.320 ( -1.338 -1.788 0.000) 2.233 6.887 ( -1.193 2.024 -0.000) 2.350 6.913 ( -0.491 -2.160 0.000) 2.215 9.348 ( 0.563 1.035 -0.000) 1.178 9.361 ( 0.640 -1.028 0.000) 1.211 11.735 ( 1.378 1.583 -0.000) 2.099 11.749 ( 0.723 -0.666 0.000) 0.984 11.831 ( -1.754 -0.241 0.000) 1.770 11.835 ( -2.651 -0.821 0.000) 2.776 ======================= Grid point 364 (116/125) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 0.000 17.704 -0.000) 17.704 1.065 ( 0.000 16.042 -0.000) 16.042 1.243 ( -0.000 -7.875 0.000) 7.875 1.243 ( -0.000 -15.067 0.000) 15.067 1.634 ( 0.000 3.948 -0.000) 3.948 1.664 ( -0.000 -0.797 0.000) 0.797 1.973 ( 0.000 14.456 -0.000) 14.456 2.160 ( -0.000 -8.519 0.000) 8.519 2.279 ( -0.000 -5.627 0.000) 5.627 2.304 ( -0.000 -5.088 0.000) 5.088 2.513 ( 0.000 0.157 -0.000) 0.157 2.529 ( -0.000 -1.605 0.000) 1.605 2.734 ( 0.000 3.167 -0.000) 3.167 2.755 ( 0.000 0.789 -0.000) 0.789 2.819 ( 0.000 0.465 -0.000) 0.465 2.842 ( -0.000 -2.117 0.000) 2.117 3.152 ( 0.000 3.409 -0.000) 3.409 3.208 ( -0.000 -5.135 0.000) 5.135 4.067 ( 0.000 5.033 -0.000) 5.033 4.123 ( -0.000 -4.104 0.000) 4.104 4.755 ( 0.000 0.674 -0.000) 0.674 4.766 ( -0.000 -1.116 0.000) 1.116 5.085 ( 0.000 1.229 -0.000) 1.229 5.107 ( -0.000 -2.207 0.000) 2.207 5.175 ( 0.000 3.852 -0.000) 3.852 5.207 ( -0.000 -1.447 0.000) 1.447 5.489 ( 0.000 0.191 -0.000) 0.191 5.496 ( -0.000 -0.996 0.000) 0.996 5.872 ( 0.000 3.685 -0.000) 3.685 5.907 ( -0.000 -1.979 0.000) 1.979 6.041 ( 0.000 5.745 -0.000) 5.745 6.112 ( -0.000 -5.740 0.000) 5.740 6.290 ( 0.000 0.777 -0.000) 0.777 6.304 ( -0.000 -1.380 0.000) 1.380 6.876 ( 0.000 2.744 -0.000) 2.744 6.909 ( -0.000 -2.493 0.000) 2.493 9.352 ( 0.000 1.076 -0.000) 1.076 9.366 ( -0.000 -1.079 0.000) 1.079 11.756 ( 0.000 0.465 -0.000) 0.465 11.758 ( 0.000 0.284 -0.000) 0.284 11.804 ( 0.000 0.424 -0.000) 0.424 11.814 ( -0.000 -1.191 0.000) 1.191 ======================= Grid point 365 (117/125) ======================= q-point: ( 0.56 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 2.477 0.000 -0.183) 2.484 1.143 ( -5.390 -0.000 0.352) 5.401 1.267 ( -1.730 -0.000 6.759) 6.977 1.269 ( -2.341 -0.000 5.645) 6.111 1.707 ( 3.723 -0.000 7.507) 8.380 1.768 ( -3.836 -0.000 8.277) 9.123 2.050 ( 1.376 0.000 0.109) 1.381 2.092 ( -4.222 -0.000 -0.601) 4.264 2.306 ( 0.280 -0.000 2.175) 2.193 2.309 ( 0.603 -0.000 4.565) 4.604 2.515 ( 0.147 0.000 -0.463) 0.486 2.515 ( 0.396 0.000 0.373) 0.544 2.733 ( 2.707 0.000 -0.228) 2.717 2.767 ( -0.875 -0.000 1.132) 1.431 2.859 ( 1.427 -0.000 3.971) 4.220 2.876 ( 0.302 -0.000 5.189) 5.198 3.174 ( -1.210 -0.000 -0.620) 1.359 3.179 ( -2.014 -0.000 -0.897) 2.204 4.069 ( 1.651 0.000 -2.125) 2.691 4.086 ( -0.544 0.000 -1.353) 1.458 4.717 ( 1.554 0.000 -3.642) 3.959 4.741 ( -1.473 0.000 -2.355) 2.777 5.069 ( 0.862 0.000 -1.359) 1.609 5.091 ( -2.060 -0.000 -1.079) 2.326 5.202 ( 2.810 0.000 1.711) 3.289 5.238 ( -1.807 -0.000 2.452) 3.046 5.468 ( 0.318 0.000 -2.217) 2.240 5.482 ( -1.500 -0.000 -1.630) 2.215 5.845 ( 4.378 0.000 -2.359) 4.973 5.891 ( -1.059 -0.000 -0.553) 1.195 6.044 ( 2.117 0.000 -2.467) 3.251 6.056 ( 0.468 0.000 -1.591) 1.658 6.308 ( 2.002 0.000 1.931) 2.782 6.351 ( -2.942 -0.000 3.269) 4.398 6.897 ( 0.007 -0.000 0.413) 0.413 6.904 ( -0.874 -0.000 0.671) 1.102 9.356 ( 0.412 0.000 -0.111) 0.427 9.358 ( 0.208 0.000 -0.049) 0.214 11.744 ( 0.862 0.000 -0.634) 1.070 11.750 ( 0.658 0.000 -0.543) 0.853 11.802 ( 0.070 0.000 -0.498) 0.503 11.828 ( -2.763 -0.000 0.619) 2.831 ======================= Grid point 375 (118/125) ======================= q-point: ( 0.56 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 0.000 10.478 2.927) 10.879 1.164 ( -0.000 -2.869 2.382) 3.729 1.319 ( 0.000 7.532 5.848) 9.535 1.456 ( -0.000 -11.754 7.681) 14.041 1.846 ( -0.000 3.830 2.142) 4.388 1.895 ( 0.000 -3.440 6.743) 7.570 2.064 ( 0.000 6.645 8.473) 10.768 2.098 ( -0.000 -0.213 -0.651) 0.685 2.349 ( 0.000 2.354 2.823) 3.675 2.411 ( -0.000 -5.950 1.285) 6.087 2.546 ( -0.000 -0.466 2.501) 2.544 2.547 ( 0.000 -0.823 5.311) 5.375 2.756 ( -0.000 2.386 0.745) 2.499 2.774 ( 0.000 -0.570 2.633) 2.694 2.968 ( 0.000 0.920 3.949) 4.055 2.983 ( -0.000 -1.281 6.970) 7.087 3.169 ( 0.000 -1.325 -0.763) 1.529 3.171 ( -0.000 -1.963 3.919) 4.384 4.007 ( -0.000 5.241 -2.395) 5.762 4.065 ( 0.000 -4.101 -2.820) 4.978 4.665 ( 0.000 0.070 -3.966) 3.966 4.672 ( -0.000 -1.069 -2.892) 3.084 5.054 ( 0.000 1.309 -0.494) 1.400 5.072 ( -0.000 -1.574 -0.472) 1.643 5.224 ( 0.000 3.691 0.441) 3.717 5.265 ( -0.000 -2.887 0.415) 2.917 5.431 ( -0.000 -0.296 -2.651) 2.668 5.432 ( -0.000 -0.529 -2.838) 2.886 5.831 ( 0.000 1.511 -1.721) 2.290 5.837 ( -0.000 0.458 -2.550) 2.591 5.985 ( 0.000 5.789 -1.958) 6.111 6.056 ( -0.000 -5.612 -1.760) 5.881 6.360 ( 0.000 1.359 1.915) 2.348 6.381 ( -0.000 -1.923 1.334) 2.341 6.894 ( -0.000 2.866 0.842) 2.987 6.928 ( 0.000 -2.516 0.770) 2.631 9.349 ( 0.000 0.897 -0.195) 0.918 9.361 ( -0.000 -0.961 -0.332) 1.017 11.726 ( 0.000 1.680 -1.000) 1.956 11.740 ( -0.000 -0.612 -0.668) 0.905 11.809 ( 0.000 1.040 0.298) 1.082 11.826 ( -0.000 -1.705 0.460) 1.766 ======================= Grid point 376 (119/125) ======================= q-point: ( 0.67 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 2.056 -0.000 3.541) 4.095 1.182 ( -2.476 -0.000 2.584) 3.579 1.513 ( 0.888 -0.000 6.786) 6.844 1.559 ( -4.838 -0.000 9.018) 10.234 1.897 ( 0.561 0.000 0.174) 0.587 1.904 ( 0.024 0.000 -1.468) 1.469 2.114 ( 2.853 -0.000 3.292) 4.356 2.151 ( -1.613 -0.000 1.142) 1.976 2.407 ( 0.639 -0.000 2.007) 2.106 2.415 ( -0.311 0.000 -0.501) 0.589 2.626 ( 0.927 -0.000 4.099) 4.202 2.638 ( -1.132 -0.000 4.329) 4.474 2.795 ( 1.305 -0.000 2.986) 3.259 2.808 ( -0.529 -0.000 0.410) 0.670 2.992 ( 1.236 0.000 -0.096) 1.240 3.009 ( -0.238 0.000 -2.496) 2.508 3.295 ( -1.030 -0.000 12.380) 12.422 3.308 ( -2.231 -0.000 11.254) 11.473 3.982 ( 1.799 0.000 -1.594) 2.404 4.010 ( -1.753 -0.000 -1.685) 2.432 4.582 ( 3.379 0.000 -3.153) 4.622 4.638 ( -3.830 -0.000 -2.614) 4.637 5.053 ( 0.428 0.000 0.083) 0.436 5.063 ( -0.755 -0.000 -0.757) 1.069 5.224 ( 1.602 0.000 -0.641) 1.726 5.246 ( -1.069 0.000 -1.933) 2.209 5.374 ( 0.879 0.000 -2.132) 2.306 5.391 ( -1.292 0.000 -2.506) 2.820 5.774 ( 3.309 0.000 -1.678) 3.710 5.823 ( -3.172 -0.000 -2.627) 4.119 5.977 ( 2.686 0.000 -0.828) 2.811 5.991 ( 0.696 0.000 -1.738) 1.872 6.366 ( 2.239 0.000 0.615) 2.322 6.408 ( -2.773 -0.000 -0.144) 2.777 6.925 ( 0.060 -0.000 0.978) 0.980 6.930 ( -0.463 -0.000 0.705) 0.843 9.348 ( 0.240 0.000 -0.370) 0.441 9.348 ( 0.121 0.000 -0.481) 0.496 11.721 ( 0.230 0.000 -0.603) 0.645 11.724 ( -0.253 -0.000 -0.273) 0.373 11.803 ( 2.518 0.000 0.303) 2.536 11.847 ( -3.034 -0.000 0.441) 3.066 ======================= Grid point 386 (120/125) ======================= q-point: ( 0.67 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -0.000 0.545 6.264) 6.288 1.243 ( 0.000 -0.307 3.456) 3.470 1.600 ( -0.000 6.947 6.093) 9.241 1.690 ( 0.000 -7.475 2.831) 7.993 1.802 ( -0.000 8.961 -3.620) 9.664 1.918 ( 0.000 -9.451 -4.232) 10.355 2.161 ( 0.000 4.472 4.431) 6.295 2.218 ( 0.000 -4.179 3.003) 5.146 2.402 ( 0.000 1.628 -0.796) 1.812 2.421 ( -0.000 -1.183 0.226) 1.205 2.670 ( 0.000 1.402 1.441) 2.010 2.673 ( 0.000 1.266 0.087) 1.269 2.787 ( -0.000 0.503 -3.569) 3.605 2.794 ( 0.000 -0.041 -1.992) 1.992 2.964 ( -0.000 2.335 -1.546) 2.800 3.006 ( 0.000 -3.827 0.639) 3.880 3.479 ( -0.000 4.007 9.512) 10.322 3.536 ( 0.000 -5.113 8.753) 10.136 3.977 ( -0.000 1.854 1.479) 2.372 3.995 ( 0.000 -1.140 0.151) 1.150 4.548 ( 0.000 2.905 -1.756) 3.394 4.592 ( -0.000 -4.256 -1.168) 4.413 5.031 ( 0.000 2.072 -1.537) 2.579 5.056 ( -0.000 -1.817 -1.250) 2.205 5.200 ( -0.000 1.347 -0.499) 1.437 5.222 ( 0.000 -2.121 -1.585) 2.648 5.359 ( -0.000 0.161 0.096) 0.187 5.360 ( 0.000 -0.019 -0.018) 0.026 5.753 ( -0.000 0.861 -2.744) 2.876 5.755 ( 0.000 0.511 -2.339) 2.394 5.944 ( 0.000 4.551 -0.047) 4.552 5.999 ( -0.000 -4.238 -1.104) 4.379 6.378 ( 0.000 0.274 -0.969) 1.007 6.385 ( -0.000 -0.751 -0.378) 0.841 6.931 ( -0.000 2.151 1.204) 2.465 6.954 ( 0.000 -1.597 0.727) 1.755 9.338 ( 0.000 0.302 -0.394) 0.497 9.342 ( -0.000 -0.360 -0.632) 0.727 11.710 ( 0.000 1.550 0.142) 1.556 11.726 ( -0.000 -1.014 0.048) 1.015 11.822 ( 0.000 1.478 0.344) 1.518 11.842 ( -0.000 -1.747 0.395) 1.791 ======================= Grid point 387 (121/125) ======================= q-point: (-0.22 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 0.677 -0.000 3.703) 3.764 1.331 ( 0.235 -0.000 5.216) 5.222 1.612 ( 8.758 0.000 -1.225) 8.843 1.701 ( 1.171 0.000 -4.786) 4.927 1.799 ( -6.788 -0.000 0.725) 6.827 1.815 ( -5.126 -0.000 -3.834) 6.401 2.223 ( 2.800 0.000 0.625) 2.869 2.264 ( -2.245 -0.000 1.846) 2.906 2.396 ( 3.198 0.000 1.254) 3.436 2.422 ( -0.268 -0.000 0.714) 0.762 2.625 ( 2.961 0.000 -4.817) 5.655 2.681 ( -3.355 -0.000 -3.071) 4.548 2.710 ( 2.093 0.000 -2.622) 3.355 2.734 ( -0.945 0.000 -2.704) 2.865 2.972 ( 0.648 0.000 -1.112) 1.287 3.001 ( -2.798 -0.000 0.239) 2.809 3.561 ( 2.083 0.000 -2.262) 3.075 3.593 ( -2.151 -0.000 -1.068) 2.401 4.016 ( 1.043 -0.000 3.249) 3.413 4.027 ( -0.191 -0.000 2.046) 2.055 4.537 ( 4.034 0.000 2.083) 4.540 4.608 ( -5.207 -0.000 1.867) 5.532 5.003 ( 1.286 0.000 -1.932) 2.321 5.018 ( -0.582 0.000 -1.691) 1.788 5.196 ( 0.379 0.000 0.125) 0.399 5.216 ( -1.973 -0.000 0.427) 2.018 5.381 ( 1.138 -0.000 2.444) 2.695 5.383 ( 0.544 -0.000 2.403) 2.464 5.695 ( 1.614 0.000 -2.631) 3.086 5.721 ( -1.880 0.000 -2.641) 3.242 5.955 ( 2.428 0.000 -0.063) 2.428 5.983 ( -1.414 -0.000 0.871) 1.661 6.357 ( 0.566 0.000 -0.911) 1.073 6.373 ( -1.445 -0.000 -1.455) 2.051 6.959 ( 0.445 -0.000 0.957) 1.055 6.962 ( -0.075 -0.000 1.044) 1.047 9.329 ( 0.270 0.000 -0.520) 0.586 9.334 ( -0.446 -0.000 -0.307) 0.541 11.717 ( 1.156 0.000 0.349) 1.207 11.732 ( -0.909 -0.000 0.766) 1.189 11.815 ( 2.989 0.000 0.314) 3.006 11.860 ( -2.863 -0.000 0.305) 2.879 ======================= Grid point 396 (122/125) ======================= q-point: (-0.22 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -0.000 5.962 0.771) 6.012 1.399 ( -0.000 -2.615 -0.271) 2.629 1.591 ( -0.000 4.413 -4.324) 6.178 1.658 ( -0.000 -5.768 -5.147) 7.731 1.750 ( -0.000 1.525 1.869) 2.413 1.786 ( -0.000 -4.172 1.847) 4.563 2.210 ( -0.000 1.848 -3.457) 3.920 2.231 ( -0.000 -1.367 -2.012) 2.432 2.422 ( -0.000 3.162 0.815) 3.265 2.450 ( -0.000 -0.627 -1.027) 1.203 2.525 ( -0.000 1.875 -7.646) 7.872 2.550 ( -0.000 -2.402 -7.962) 8.316 2.691 ( -0.000 2.480 -0.742) 2.588 2.731 ( -0.000 -3.825 1.624) 4.156 2.952 ( 0.000 0.610 -1.234) 1.377 2.961 ( -0.000 -0.570 -3.337) 3.386 3.460 ( -0.000 3.252 -7.809) 8.459 3.506 ( -0.000 -3.886 -7.073) 8.070 4.061 ( -0.000 2.515 2.179) 3.328 4.078 ( -0.000 -0.223 2.698) 2.707 4.603 ( -0.000 2.865 3.436) 4.474 4.645 ( -0.000 -3.821 2.995) 4.855 4.976 ( -0.000 1.898 -0.695) 2.021 5.003 ( -0.000 -2.305 -0.685) 2.404 5.209 ( -0.000 -0.449 0.265) 0.521 5.212 ( -0.000 -0.812 0.525) 0.967 5.438 ( -0.000 1.040 3.327) 3.486 5.446 ( -0.000 -0.237 3.746) 3.754 5.662 ( -0.000 0.330 -1.512) 1.548 5.668 ( 0.000 -0.470 -1.864) 1.922 5.970 ( 0.000 2.266 1.278) 2.601 5.992 ( -0.000 -1.250 0.586) 1.381 6.333 ( -0.000 0.730 -1.333) 1.520 6.351 ( -0.000 -1.980 -1.307) 2.373 6.977 ( -0.000 0.712 1.139) 1.343 6.980 ( -0.000 0.123 0.652) 0.664 9.323 ( -0.000 0.194 -0.363) 0.411 9.326 ( 0.000 -0.232 -0.259) 0.348 11.733 ( 0.000 1.200 1.012) 1.570 11.747 ( -0.000 -1.028 1.003) 1.436 11.833 ( -0.000 1.695 0.347) 1.730 11.854 ( 0.000 -1.769 0.341) 1.801 ======================= Grid point 398 (123/125) ======================= q-point: (-0.11 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 8.398 0.000 -3.403) 9.061 1.374 ( 2.299 0.000 -2.637) 3.498 1.490 ( 1.562 0.000 -5.418) 5.639 1.544 ( -3.492 -0.000 -3.573) 4.997 1.817 ( -0.803 -0.000 3.982) 4.062 1.848 ( -4.575 -0.000 1.168) 4.722 2.121 ( 8.279 0.000 -4.724) 9.532 2.183 ( 0.982 0.000 -2.501) 2.686 2.327 ( 2.816 0.000 -10.777) 11.139 2.383 ( 0.462 0.000 -5.824) 5.843 2.414 ( -3.590 0.000 -5.731) 6.763 2.456 ( -5.280 -0.000 -0.874) 5.352 2.726 ( 1.521 0.000 0.522) 1.608 2.732 ( 1.037 -0.000 2.223) 2.453 2.887 ( 1.166 0.000 -2.617) 2.865 2.937 ( -5.396 -0.000 -3.399) 6.378 3.332 ( 3.982 0.000 -5.425) 6.730 3.388 ( -3.490 0.000 -4.910) 6.024 4.076 ( 4.252 0.000 0.226) 4.258 4.124 ( -2.389 -0.000 1.486) 2.813 4.656 ( 1.552 -0.000 2.441) 2.892 4.692 ( -3.017 -0.000 1.641) 3.434 4.969 ( 2.428 0.000 -0.052) 2.429 4.997 ( -1.118 -0.000 0.437) 1.201 5.205 ( 0.218 0.000 -0.253) 0.334 5.229 ( -2.775 -0.000 -0.011) 2.775 5.487 ( 2.076 0.000 2.183) 3.013 5.506 ( 0.148 -0.000 3.098) 3.102 5.628 ( 2.110 0.000 -0.547) 2.180 5.679 ( -4.000 -0.000 0.737) 4.068 5.982 ( 3.192 0.000 1.382) 3.478 6.021 ( -2.111 -0.000 1.129) 2.394 6.317 ( -0.336 0.000 -1.147) 1.195 6.319 ( -0.597 0.000 -1.334) 1.461 6.989 ( 0.903 0.000 0.472) 1.019 6.994 ( 0.138 -0.000 0.598) 0.614 9.314 ( 0.543 0.000 -0.253) 0.599 9.327 ( -1.108 -0.000 -0.096) 1.112 11.739 ( 2.843 0.000 0.676) 2.922 11.776 ( -2.005 -0.000 1.403) 2.447 11.828 ( 2.920 0.000 0.498) 2.962 11.873 ( -2.868 -0.000 0.523) 2.916 ======================= Grid point 399 (124/125) ======================= q-point: ( 0.00 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 16.923 0.000 -0.000) 16.923 1.233 ( 13.330 0.000 -0.000) 13.330 1.408 ( -9.963 -0.000 0.000) 9.963 1.446 ( -14.128 -0.000 0.000) 14.128 1.847 ( 2.778 0.000 -0.000) 2.778 1.906 ( -4.898 -0.000 0.000) 4.898 2.019 ( 11.984 0.000 -0.000) 11.984 2.024 ( 3.279 0.000 -0.000) 3.279 2.190 ( 8.429 0.000 -0.000) 8.429 2.204 ( 4.753 0.000 -0.000) 4.753 2.359 ( -6.627 -0.000 0.000) 6.627 2.457 ( -13.404 -0.000 0.000) 13.404 2.707 ( 2.201 0.000 -0.000) 2.201 2.757 ( -3.216 -0.000 0.000) 3.216 2.845 ( 0.686 0.000 -0.000) 0.686 2.862 ( -3.234 -0.000 0.000) 3.234 3.253 ( 5.499 0.000 -0.000) 5.499 3.324 ( -3.872 -0.000 0.000) 3.872 4.066 ( 5.158 0.000 -0.000) 5.158 4.130 ( -3.656 -0.000 0.000) 3.656 4.691 ( 1.172 0.000 -0.000) 1.172 4.720 ( -2.346 -0.000 0.000) 2.346 4.975 ( 3.173 0.000 -0.000) 3.173 5.017 ( -1.994 -0.000 0.000) 1.994 5.189 ( 0.936 0.000 -0.000) 0.936 5.221 ( -3.252 -0.000 0.000) 3.252 5.518 ( 2.352 0.000 -0.000) 2.352 5.562 ( -3.063 -0.000 0.000) 3.063 5.630 ( 5.034 0.000 -0.000) 5.034 5.713 ( -5.564 -0.000 0.000) 5.564 6.020 ( 3.316 0.000 -0.000) 3.316 6.050 ( -0.698 -0.000 0.000) 0.698 6.290 ( -0.240 -0.000 0.000) 0.240 6.291 ( -0.386 -0.000 0.000) 0.386 6.994 ( 1.396 0.000 -0.000) 1.396 7.004 ( -0.015 -0.000 0.000) 0.015 9.310 ( 0.697 0.000 -0.000) 0.697 9.326 ( -1.342 -0.000 0.000) 1.342 11.753 ( 3.866 0.000 -0.000) 3.866 11.805 ( -3.001 -0.000 0.000) 3.001 11.842 ( 3.048 0.000 -0.000) 3.048 11.890 ( -3.337 -0.000 0.000) 3.337 ======================= Grid point 407 (125/125) ======================= q-point: (-0.11 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 0.000 3.074 -1.504) 3.422 1.332 ( -0.000 2.244 -0.892) 2.415 1.407 ( 0.000 -2.728 -5.206) 5.878 1.411 ( -0.000 -4.175 -6.273) 7.536 1.857 ( 0.000 -0.454 0.865) 0.976 1.861 ( -0.000 -1.085 1.441) 1.804 2.088 ( -0.000 4.857 -3.137) 5.782 2.124 ( -0.000 -0.709 -6.893) 6.929 2.216 ( -0.000 3.664 -3.717) 5.219 2.265 ( -0.000 -2.805 -1.475) 3.169 2.343 ( -0.000 2.922 -0.629) 2.989 2.414 ( 0.000 -6.760 -1.709) 6.972 2.738 ( -0.000 0.939 0.085) 0.942 2.742 ( 0.000 0.001 -1.378) 1.378 2.843 ( -0.000 2.528 -1.099) 2.757 2.877 ( -0.000 -2.865 -1.983) 3.485 3.286 ( 0.000 2.873 -0.685) 2.953 3.321 ( -0.000 -2.607 -2.455) 3.581 4.096 ( -0.000 2.028 0.019) 2.028 4.110 ( 0.000 -0.118 -0.603) 0.615 4.690 ( -0.000 0.897 1.234) 1.526 4.706 ( -0.000 -1.661 0.354) 1.698 4.984 ( -0.000 1.451 0.805) 1.660 5.001 ( 0.000 -1.221 0.058) 1.223 5.208 ( 0.000 -1.082 -0.330) 1.131 5.211 ( -0.000 -1.434 -0.462) 1.507 5.524 ( 0.000 1.196 1.198) 1.693 5.534 ( -0.000 -0.430 0.698) 0.820 5.661 ( 0.000 0.080 0.883) 0.887 5.664 ( -0.000 -0.467 0.747) 0.881 6.026 ( 0.000 0.488 1.388) 1.471 6.029 ( -0.000 -0.092 1.102) 1.106 6.295 ( -0.000 0.110 -0.627) 0.637 6.303 ( -0.000 -1.249 -1.078) 1.649 6.996 ( -0.000 0.927 0.233) 0.956 7.000 ( -0.000 0.375 0.129) 0.396 9.316 ( -0.000 0.169 -0.032) 0.172 9.319 ( -0.000 -0.208 -0.138) 0.249 11.770 ( 0.000 0.879 0.787) 1.180 11.778 ( -0.000 -0.387 0.393) 0.552 11.855 ( -0.000 0.793 0.812) 1.135 11.867 ( 0.000 -1.092 0.222) 1.114 =================== 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 3/30618 10.0 239.654 212.571 181.275 -0.000 -0.000 0.000 3/30618 20.0 43.732 35.928 37.647 -0.000 -0.000 0.000 3/30618 30.0 21.290 17.430 18.647 -0.000 -0.000 0.000 3/30618 40.0 13.445 11.045 11.954 -0.000 -0.000 0.000 3/30618 50.0 9.601 7.903 8.636 -0.000 -0.000 0.000 3/30618 60.0 7.391 6.089 6.703 -0.000 -0.000 0.000 3/30618 70.0 5.985 4.933 5.460 -0.000 -0.000 0.000 3/30618 80.0 5.023 4.141 4.601 -0.000 -0.000 0.000 3/30618 90.0 4.328 3.568 3.977 -0.000 -0.000 0.000 3/30618 100.0 3.804 3.136 3.503 -0.000 -0.000 0.000 3/30618 110.0 3.395 2.799 3.132 -0.000 -0.000 0.000 3/30618 120.0 3.067 2.529 2.833 -0.000 -0.000 0.000 3/30618 130.0 2.798 2.307 2.587 -0.000 -0.000 0.000 3/30618 140.0 2.574 2.122 2.382 -0.000 -0.000 0.000 3/30618 150.0 2.384 1.965 2.207 -0.000 -0.000 0.000 3/30618 160.0 2.221 1.831 2.057 -0.000 -0.000 0.000 3/30618 170.0 2.079 1.714 1.927 -0.000 -0.000 0.000 3/30618 180.0 1.954 1.611 1.812 -0.000 -0.000 0.000 3/30618 190.0 1.844 1.520 1.710 -0.000 -0.000 0.000 3/30618 200.0 1.746 1.439 1.620 -0.000 -0.000 0.000 3/30618 210.0 1.658 1.367 1.539 -0.000 -0.000 0.000 3/30618 220.0 1.579 1.301 1.465 -0.000 -0.000 0.000 3/30618 230.0 1.507 1.242 1.399 -0.000 -0.000 0.000 3/30618 240.0 1.442 1.188 1.338 -0.000 -0.000 0.000 3/30618 250.0 1.382 1.138 1.283 -0.000 -0.000 0.000 3/30618 260.0 1.327 1.093 1.232 -0.000 -0.000 0.000 3/30618 270.0 1.276 1.051 1.185 -0.000 -0.000 0.000 3/30618 280.0 1.229 1.012 1.141 -0.000 -0.000 0.000 3/30618 290.0 1.185 0.976 1.101 -0.000 -0.000 0.000 3/30618 300.0 1.144 0.943 1.063 -0.000 -0.000 0.000 3/30618 310.0 1.107 0.912 1.028 -0.000 -0.000 0.000 3/30618 320.0 1.071 0.882 0.995 -0.000 -0.000 0.000 3/30618 330.0 1.038 0.855 0.964 -0.000 -0.000 0.000 3/30618 340.0 1.007 0.829 0.935 -0.000 -0.000 0.000 3/30618 350.0 0.977 0.805 0.908 -0.000 -0.000 0.000 3/30618 360.0 0.950 0.782 0.882 -0.000 -0.000 0.000 3/30618 370.0 0.924 0.761 0.858 -0.000 -0.000 0.000 3/30618 380.0 0.899 0.740 0.835 -0.000 -0.000 0.000 3/30618 390.0 0.875 0.721 0.813 -0.000 -0.000 0.000 3/30618 400.0 0.853 0.703 0.793 -0.000 -0.000 0.000 3/30618 410.0 0.832 0.685 0.773 -0.000 -0.000 0.000 3/30618 420.0 0.812 0.669 0.755 -0.000 -0.000 0.000 3/30618 430.0 0.793 0.653 0.737 -0.000 -0.000 0.000 3/30618 440.0 0.775 0.638 0.720 -0.000 -0.000 0.000 3/30618 450.0 0.757 0.624 0.704 -0.000 -0.000 0.000 3/30618 460.0 0.741 0.610 0.688 -0.000 -0.000 0.000 3/30618 470.0 0.725 0.597 0.673 -0.000 -0.000 0.000 3/30618 480.0 0.709 0.584 0.659 -0.000 -0.000 0.000 3/30618 490.0 0.695 0.572 0.646 -0.000 -0.000 0.000 3/30618 500.0 0.681 0.561 0.633 -0.000 -0.000 0.000 3/30618 510.0 0.667 0.550 0.620 -0.000 -0.000 0.000 3/30618 520.0 0.654 0.539 0.608 -0.000 -0.000 0.000 3/30618 530.0 0.642 0.529 0.597 -0.000 -0.000 0.000 3/30618 540.0 0.630 0.519 0.585 -0.000 -0.000 0.000 3/30618 550.0 0.618 0.509 0.575 -0.000 -0.000 0.000 3/30618 560.0 0.607 0.500 0.564 -0.000 -0.000 0.000 3/30618 570.0 0.596 0.491 0.554 -0.000 -0.000 0.000 3/30618 580.0 0.586 0.483 0.545 -0.000 -0.000 0.000 3/30618 590.0 0.576 0.475 0.535 -0.000 -0.000 0.000 3/30618 600.0 0.566 0.467 0.527 -0.000 -0.000 0.000 3/30618 610.0 0.557 0.459 0.518 -0.000 -0.000 0.000 3/30618 620.0 0.548 0.451 0.509 -0.000 -0.000 0.000 3/30618 630.0 0.539 0.444 0.501 -0.000 -0.000 0.000 3/30618 640.0 0.531 0.437 0.493 -0.000 -0.000 0.000 3/30618 650.0 0.523 0.430 0.486 -0.000 -0.000 0.000 3/30618 660.0 0.515 0.424 0.478 -0.000 -0.000 0.000 3/30618 670.0 0.507 0.418 0.471 -0.000 -0.000 0.000 3/30618 680.0 0.499 0.411 0.464 -0.000 -0.000 0.000 3/30618 690.0 0.492 0.405 0.458 -0.000 -0.000 0.000 3/30618 700.0 0.485 0.400 0.451 -0.000 -0.000 0.000 3/30618 710.0 0.478 0.394 0.445 -0.000 -0.000 0.000 3/30618 720.0 0.472 0.388 0.438 -0.000 -0.000 0.000 3/30618 730.0 0.465 0.383 0.432 -0.000 -0.000 0.000 3/30618 740.0 0.459 0.378 0.426 -0.000 -0.000 0.000 3/30618 750.0 0.453 0.373 0.421 -0.000 -0.000 0.000 3/30618 760.0 0.447 0.368 0.415 -0.000 -0.000 0.000 3/30618 770.0 0.441 0.363 0.410 -0.000 -0.000 0.000 3/30618 780.0 0.435 0.358 0.405 -0.000 -0.000 0.000 3/30618 790.0 0.430 0.354 0.399 -0.000 -0.000 0.000 3/30618 800.0 0.424 0.349 0.394 -0.000 -0.000 0.000 3/30618 810.0 0.419 0.345 0.390 -0.000 -0.000 0.000 3/30618 820.0 0.414 0.341 0.385 -0.000 -0.000 0.000 3/30618 830.0 0.409 0.337 0.380 -0.000 -0.000 0.000 3/30618 840.0 0.404 0.333 0.376 -0.000 -0.000 0.000 3/30618 850.0 0.399 0.329 0.371 -0.000 -0.000 0.000 3/30618 860.0 0.395 0.325 0.367 -0.000 -0.000 0.000 3/30618 870.0 0.390 0.321 0.363 -0.000 -0.000 0.000 3/30618 880.0 0.386 0.318 0.358 -0.000 -0.000 0.000 3/30618 890.0 0.381 0.314 0.354 -0.000 -0.000 0.000 3/30618 900.0 0.377 0.310 0.350 -0.000 -0.000 0.000 3/30618 910.0 0.373 0.307 0.347 -0.000 -0.000 0.000 3/30618 920.0 0.369 0.304 0.343 -0.000 -0.000 0.000 3/30618 930.0 0.365 0.300 0.339 -0.000 -0.000 0.000 3/30618 940.0 0.361 0.297 0.336 -0.000 -0.000 0.000 3/30618 950.0 0.357 0.294 0.332 -0.000 -0.000 0.000 3/30618 960.0 0.353 0.291 0.329 -0.000 -0.000 0.000 3/30618 970.0 0.350 0.288 0.325 -0.000 -0.000 0.000 3/30618 980.0 0.346 0.285 0.322 -0.000 -0.000 0.000 3/30618 990.0 0.343 0.282 0.319 -0.000 -0.000 0.000 3/30618 1000.0 0.339 0.279 0.315 -0.000 -0.000 0.000 3/30618 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:30:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|