----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:29:04]------------------------- 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: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.369746885191333 0.000000000000000 0.000000000000000 b 0.000000000000000 9.231138270000001 0.000000000000000 c -7.324674534513007 0.000000000000000 8.440397395008361 Atomic positions (fractional): *1 Tl 0.73769456200592 0.04027475158575 0.25382280618497 204.383 2 Tl 0.26230543799408 0.95972524841425 0.74617719381503 204.383 3 Tl 0.73769456200592 0.45972524841425 0.75382280618497 204.383 4 Tl 0.26230543799408 0.54027475158575 0.24617719381503 204.383 *5 Cu 0.08137679650171 0.84299507948009 0.27161384848645 63.546 6 Cu 0.08137679650171 0.65700492051991 0.77161384848645 63.546 7 Cu 0.91862320349829 0.34299507948009 0.22838615151355 63.546 8 Cu 0.91862320349829 0.15700492051991 0.72838615151355 63.546 *9 P 0.92517525332117 0.89683336290701 0.93067778491892 30.974 10 P 0.07482474667883 0.10316663709299 0.06932221508108 30.974 11 P 0.92517525332117 0.60316663709299 0.43067778491892 30.974 12 P 0.07482474667883 0.39683336290701 0.56932221508108 30.974 *13 Se 0.76013016740730 0.77425231993838 0.01063023308249 78.960 *14 Se 0.66413921995913 0.97256116371525 0.68430089505986 78.960 15 Se 0.33586078004087 0.47256116371525 0.81569910494014 78.960 *16 Se 0.75174731348073 0.27680500982706 0.49427761875963 78.960 17 Se 0.24825268651927 0.77680500982706 0.00572238124037 78.960 18 Se 0.33586078004087 0.02743883628475 0.31569910494014 78.960 19 Se 0.23986983259270 0.22574768006162 0.98936976691751 78.960 20 Se 0.23986983259270 0.27425231993838 0.48936976691751 78.960 21 Se 0.24825268651927 0.72319499017294 0.50572238124037 78.960 22 Se 0.75174731348073 0.22319499017294 0.99427761875963 78.960 23 Se 0.76013016740730 0.72574768006162 0.51063023308249 78.960 24 Se 0.66413921995913 0.52743883628475 0.18430089505986 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.369746885191333 0.000000000000000 0.000000000000000 b 0.000000000000000 9.231138270000001 0.000000000000000 c -7.324674534513007 0.000000000000000 8.440397395008361 Atomic positions (fractional): *1 Tl 0.73769456200592 0.04027475158575 0.25382280618497 204.383 > 1 2 Tl 0.26230543799408 0.95972524841425 0.74617719381503 204.383 > 2 3 Tl 0.73769456200592 0.45972524841425 0.75382280618497 204.383 > 3 4 Tl 0.26230543799408 0.54027475158575 0.24617719381503 204.383 > 4 *5 Cu 0.08137679650171 0.84299507948009 0.27161384848645 63.546 > 5 6 Cu 0.08137679650171 0.65700492051991 0.77161384848645 63.546 > 6 7 Cu 0.91862320349829 0.34299507948009 0.22838615151355 63.546 > 7 8 Cu 0.91862320349829 0.15700492051991 0.72838615151355 63.546 > 8 *9 P 0.92517525332117 0.89683336290701 0.93067778491892 30.974 > 9 10 P 0.07482474667883 0.10316663709299 0.06932221508108 30.974 > 10 11 P 0.92517525332117 0.60316663709299 0.43067778491892 30.974 > 11 12 P 0.07482474667883 0.39683336290701 0.56932221508108 30.974 > 12 *13 Se 0.76013016740730 0.77425231993838 0.01063023308249 78.960 > 13 *14 Se 0.66413921995913 0.97256116371525 0.68430089505986 78.960 > 14 15 Se 0.33586078004087 0.47256116371525 0.81569910494014 78.960 > 15 *16 Se 0.75174731348073 0.27680500982706 0.49427761875963 78.960 > 16 17 Se 0.24825268651927 0.77680500982706 0.00572238124037 78.960 > 17 18 Se 0.33586078004087 0.02743883628475 0.31569910494014 78.960 > 18 19 Se 0.23986983259270 0.22574768006162 0.98936976691751 78.960 > 19 20 Se 0.23986983259270 0.27425231993838 0.48936976691751 78.960 > 20 21 Se 0.24825268651927 0.72319499017294 0.50572238124037 78.960 > 21 22 Se 0.75174731348073 0.22319499017294 0.99427761875963 78.960 > 22 23 Se 0.76013016740730 0.72574768006162 0.51063023308249 78.960 > 23 24 Se 0.66413921995913 0.52743883628475 0.18430089505986 78.960 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.739493770382666 0.000000000000000 0.000000000000000 b 0.000000000000000 18.462276540000001 0.000000000000000 c -7.324674534513007 0.000000000000000 8.440397395008361 Atomic positions (fractional): *1 Tl 0.36884728100296 0.02013737579288 0.25382280618497 204.383 > 1 2 Tl 0.86884728100296 0.02013737579288 0.25382280618497 204.383 > 1 3 Tl 0.36884728100296 0.52013737579288 0.25382280618497 204.383 > 1 4 Tl 0.86884728100296 0.52013737579288 0.25382280618497 204.383 > 1 5 Tl 0.13115271899704 0.47986262420712 0.74617719381503 204.383 > 2 6 Tl 0.63115271899704 0.47986262420712 0.74617719381503 204.383 > 2 7 Tl 0.13115271899704 0.97986262420712 0.74617719381503 204.383 > 2 8 Tl 0.63115271899704 0.97986262420712 0.74617719381503 204.383 > 2 9 Tl 0.36884728100296 0.22986262420712 0.75382280618497 204.383 > 3 10 Tl 0.86884728100296 0.22986262420712 0.75382280618497 204.383 > 3 11 Tl 0.36884728100296 0.72986262420712 0.75382280618497 204.383 > 3 12 Tl 0.86884728100296 0.72986262420712 0.75382280618497 204.383 > 3 13 Tl 0.13115271899704 0.27013737579288 0.24617719381503 204.383 > 4 14 Tl 0.63115271899704 0.27013737579288 0.24617719381503 204.383 > 4 15 Tl 0.13115271899704 0.77013737579288 0.24617719381503 204.383 > 4 16 Tl 0.63115271899704 0.77013737579288 0.24617719381503 204.383 > 4 *17 Cu 0.04068839825085 0.42149753974004 0.27161384848645 63.546 > 5 18 Cu 0.54068839825085 0.42149753974004 0.27161384848645 63.546 > 5 19 Cu 0.04068839825085 0.92149753974004 0.27161384848645 63.546 > 5 20 Cu 0.54068839825085 0.92149753974004 0.27161384848645 63.546 > 5 21 Cu 0.04068839825085 0.32850246025996 0.77161384848645 63.546 > 6 22 Cu 0.54068839825085 0.32850246025996 0.77161384848645 63.546 > 6 23 Cu 0.04068839825085 0.82850246025996 0.77161384848645 63.546 > 6 24 Cu 0.54068839825085 0.82850246025996 0.77161384848645 63.546 > 6 25 Cu 0.45931160174915 0.17149753974004 0.22838615151355 63.546 > 7 26 Cu 0.95931160174915 0.17149753974004 0.22838615151355 63.546 > 7 27 Cu 0.45931160174915 0.67149753974004 0.22838615151355 63.546 > 7 28 Cu 0.95931160174915 0.67149753974004 0.22838615151355 63.546 > 7 29 Cu 0.45931160174915 0.07850246025996 0.72838615151355 63.546 > 8 30 Cu 0.95931160174915 0.07850246025996 0.72838615151355 63.546 > 8 31 Cu 0.45931160174915 0.57850246025996 0.72838615151355 63.546 > 8 32 Cu 0.95931160174915 0.57850246025996 0.72838615151355 63.546 > 8 *33 P 0.46258762666059 0.44841668145350 0.93067778491892 30.974 > 9 34 P 0.96258762666059 0.44841668145350 0.93067778491892 30.974 > 9 35 P 0.46258762666059 0.94841668145350 0.93067778491892 30.974 > 9 36 P 0.96258762666059 0.94841668145350 0.93067778491892 30.974 > 9 37 P 0.03741237333941 0.05158331854650 0.06932221508108 30.974 > 10 38 P 0.53741237333941 0.05158331854650 0.06932221508108 30.974 > 10 39 P 0.03741237333941 0.55158331854650 0.06932221508108 30.974 > 10 40 P 0.53741237333941 0.55158331854650 0.06932221508108 30.974 > 10 41 P 0.46258762666059 0.30158331854650 0.43067778491892 30.974 > 11 42 P 0.96258762666059 0.30158331854650 0.43067778491892 30.974 > 11 43 P 0.46258762666059 0.80158331854650 0.43067778491892 30.974 > 11 44 P 0.96258762666059 0.80158331854650 0.43067778491892 30.974 > 11 45 P 0.03741237333941 0.19841668145350 0.56932221508108 30.974 > 12 46 P 0.53741237333941 0.19841668145350 0.56932221508108 30.974 > 12 47 P 0.03741237333941 0.69841668145350 0.56932221508108 30.974 > 12 48 P 0.53741237333941 0.69841668145350 0.56932221508108 30.974 > 12 *49 Se 0.38006508370365 0.38712615996919 0.01063023308249 78.960 > 13 50 Se 0.88006508370365 0.38712615996919 0.01063023308249 78.960 > 13 51 Se 0.38006508370365 0.88712615996919 0.01063023308249 78.960 > 13 52 Se 0.88006508370365 0.88712615996919 0.01063023308249 78.960 > 13 *53 Se 0.33206960997957 0.48628058185763 0.68430089505986 78.960 > 14 54 Se 0.83206960997957 0.48628058185763 0.68430089505986 78.960 > 14 55 Se 0.33206960997957 0.98628058185763 0.68430089505986 78.960 > 14 56 Se 0.83206960997957 0.98628058185763 0.68430089505986 78.960 > 14 57 Se 0.16793039002043 0.23628058185763 0.81569910494014 78.960 > 15 58 Se 0.66793039002043 0.23628058185763 0.81569910494014 78.960 > 15 59 Se 0.16793039002043 0.73628058185763 0.81569910494014 78.960 > 15 60 Se 0.66793039002043 0.73628058185763 0.81569910494014 78.960 > 15 *61 Se 0.37587365674036 0.13840250491353 0.49427761875963 78.960 > 16 62 Se 0.87587365674036 0.13840250491353 0.49427761875963 78.960 > 16 63 Se 0.37587365674036 0.63840250491353 0.49427761875963 78.960 > 16 64 Se 0.87587365674036 0.63840250491353 0.49427761875963 78.960 > 16 65 Se 0.12412634325964 0.38840250491353 0.00572238124037 78.960 > 17 66 Se 0.62412634325964 0.38840250491353 0.00572238124037 78.960 > 17 67 Se 0.12412634325964 0.88840250491353 0.00572238124037 78.960 > 17 68 Se 0.62412634325964 0.88840250491353 0.00572238124037 78.960 > 17 69 Se 0.16793039002043 0.01371941814237 0.31569910494014 78.960 > 18 70 Se 0.66793039002043 0.01371941814237 0.31569910494014 78.960 > 18 71 Se 0.16793039002043 0.51371941814237 0.31569910494014 78.960 > 18 72 Se 0.66793039002043 0.51371941814237 0.31569910494014 78.960 > 18 73 Se 0.11993491629635 0.11287384003081 0.98936976691751 78.960 > 19 74 Se 0.61993491629635 0.11287384003081 0.98936976691751 78.960 > 19 75 Se 0.11993491629635 0.61287384003081 0.98936976691751 78.960 > 19 76 Se 0.61993491629635 0.61287384003081 0.98936976691751 78.960 > 19 77 Se 0.11993491629635 0.13712615996919 0.48936976691751 78.960 > 20 78 Se 0.61993491629635 0.13712615996919 0.48936976691751 78.960 > 20 79 Se 0.11993491629635 0.63712615996919 0.48936976691751 78.960 > 20 80 Se 0.61993491629635 0.63712615996919 0.48936976691751 78.960 > 20 81 Se 0.12412634325964 0.36159749508647 0.50572238124037 78.960 > 21 82 Se 0.62412634325964 0.36159749508647 0.50572238124037 78.960 > 21 83 Se 0.12412634325964 0.86159749508647 0.50572238124037 78.960 > 21 84 Se 0.62412634325964 0.86159749508647 0.50572238124037 78.960 > 21 85 Se 0.37587365674036 0.11159749508647 0.99427761875963 78.960 > 22 86 Se 0.87587365674036 0.11159749508647 0.99427761875963 78.960 > 22 87 Se 0.37587365674036 0.61159749508647 0.99427761875963 78.960 > 22 88 Se 0.87587365674036 0.61159749508647 0.99427761875963 78.960 > 22 89 Se 0.38006508370365 0.36287384003081 0.51063023308249 78.960 > 23 90 Se 0.88006508370365 0.36287384003081 0.51063023308249 78.960 > 23 91 Se 0.38006508370365 0.86287384003081 0.51063023308249 78.960 > 23 92 Se 0.88006508370365 0.86287384003081 0.51063023308249 78.960 > 23 93 Se 0.33206960997957 0.26371941814237 0.18430089505986 78.960 > 24 94 Se 0.83206960997957 0.26371941814237 0.18430089505986 78.960 > 24 95 Se 0.33206960997957 0.76371941814237 0.18430089505986 78.960 > 24 96 Se 0.83206960997957 0.76371941814237 0.18430089505986 78.960 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.1250418 0.0000000 -0.5415060 0.0000000 10.0713268 0.0000000 -0.5415076 0.0000000 10.7057477 -------------------------- Born effective charges -------------------------- 1 Tl 2.7769970 0.0215708 0.0091024 0.2509640 2.0436944 0.2127943 0.0608441 0.2959135 1.9589142 2 Tl 2.7769970 0.0215708 0.0091024 0.2509640 2.0436944 0.2127943 0.0608441 0.2959135 1.9589142 3 Tl 2.7769970 -0.0215708 0.0091024 -0.2509640 2.0436944 -0.2127943 0.0608441 -0.2959135 1.9589142 4 Tl 2.7769970 -0.0215708 0.0091024 -0.2509640 2.0436944 -0.2127943 0.0608441 -0.2959135 1.9589142 5 Cu 0.1691831 0.3327892 0.0169488 0.3653179 0.2583822 -0.0800044 0.0714295 0.0533980 0.3814588 6 Cu 0.1691831 -0.3327892 0.0169488 -0.3653179 0.2583822 0.0800044 0.0714295 -0.0533980 0.3814588 7 Cu 0.1691831 -0.3327892 0.0169488 -0.3653179 0.2583822 0.0800044 0.0714295 -0.0533980 0.3814588 8 Cu 0.1691831 0.3327892 0.0169488 0.3653179 0.2583822 -0.0800044 0.0714295 0.0533980 0.3814588 9 P 1.9897007 -0.0817332 -0.2880941 -0.6321688 1.0852374 -0.4601551 -0.4592564 -0.5350223 1.9358811 10 P 1.9897007 -0.0817332 -0.2880941 -0.6321688 1.0852374 -0.4601551 -0.4592564 -0.5350223 1.9358811 11 P 1.9897007 0.0817332 -0.2880941 0.6321688 1.0852374 0.4601551 -0.4592564 0.5350223 1.9358811 12 P 1.9897007 0.0817332 -0.2880941 0.6321688 1.0852374 0.4601551 -0.4592564 0.5350223 1.9358811 13 Se -1.6175223 0.4087980 -0.2318569 0.5934681 -0.9450544 0.0007969 -0.2164431 -0.0474116 -1.2615105 14 Se -1.6580718 -0.1584724 0.1581865 -0.1175464 -1.2430755 -0.0737766 0.0198086 0.0866552 -1.9370968 15 Se -1.6580718 0.1584724 0.1581865 0.1175464 -1.2430755 0.0737766 0.0198086 -0.0866552 -1.9370968 16 Se -1.6602867 0.3112014 0.3357133 0.0453286 -1.1991841 0.0113890 0.5236173 0.1283142 -1.0776467 17 Se -1.6602867 -0.3112014 0.3357133 -0.0453286 -1.1991841 -0.0113890 0.5236173 -0.1283142 -1.0776467 18 Se -1.6580718 -0.1584724 0.1581865 -0.1175464 -1.2430755 -0.0737766 0.0198086 0.0866552 -1.9370968 19 Se -1.6175223 0.4087980 -0.2318569 0.5934681 -0.9450544 0.0007969 -0.2164431 -0.0474116 -1.2615105 20 Se -1.6175223 -0.4087980 -0.2318569 -0.5934681 -0.9450544 -0.0007969 -0.2164431 0.0474116 -1.2615105 21 Se -1.6602867 0.3112014 0.3357133 0.0453286 -1.1991841 0.0113890 0.5236173 0.1283142 -1.0776467 22 Se -1.6602867 -0.3112014 0.3357133 -0.0453286 -1.1991841 -0.0113890 0.5236173 -0.1283142 -1.0776467 23 Se -1.6175223 -0.4087980 -0.2318569 -0.5934681 -0.9450544 -0.0007969 -0.2164431 0.0474116 -1.2615105 24 Se -1.6580718 0.1584724 0.1581865 0.1175464 -1.2430755 0.0737766 0.0198086 -0.0866552 -1.9370968 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 19), data: (576, 31) @ (31, 19) |-- (76, 68), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 19), data: (576, 31) @ (31, 19) |-- (76, 68), data: True |-- (250, 239), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.656 Solver_block: 200 / 720 - Time: 0.572 Solver_block: 300 / 720 - Time: 0.569 Solver_block: 400 / 720 - Time: 0.567 Solver_block: 500 / 720 - Time: 0.577 Solver_block: 600 / 720 - Time: 0.570 Solver_block: 700 / 720 - Time: 0.574 Solver_block: 720 / 720 - Time: 0.219 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.409 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 19), data: (576, 31) @ (31, 19) |-- (76, 68), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 19), data: (576, 31) @ (31, 19) |-- (76, 68), data: True |-- (250, 239), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 18:29:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:29:35]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.369746885191333 0.000000000000000 0.000000000000000 b 0.000000000000000 9.231138270000001 0.000000000000000 c -7.324674534513007 0.000000000000000 8.440397395008361 Atomic positions (fractional): 1 Tl 0.73769456200592 0.04027475158575 0.25382280618497 204.383 2 Tl 0.26230543799408 0.95972524841425 0.74617719381503 204.383 3 Tl 0.73769456200592 0.45972524841425 0.75382280618497 204.383 4 Tl 0.26230543799408 0.54027475158575 0.24617719381503 204.383 5 Cu 0.08137679650171 0.84299507948009 0.27161384848645 63.546 6 Cu 0.08137679650171 0.65700492051991 0.77161384848645 63.546 7 Cu 0.91862320349829 0.34299507948009 0.22838615151355 63.546 8 Cu 0.91862320349829 0.15700492051991 0.72838615151355 63.546 9 P 0.92517525332117 0.89683336290701 0.93067778491892 30.974 10 P 0.07482474667883 0.10316663709299 0.06932221508108 30.974 11 P 0.92517525332117 0.60316663709299 0.43067778491892 30.974 12 P 0.07482474667883 0.39683336290701 0.56932221508108 30.974 13 Se 0.76013016740730 0.77425231993838 0.01063023308249 78.960 14 Se 0.66413921995913 0.97256116371525 0.68430089505986 78.960 15 Se 0.33586078004087 0.47256116371525 0.81569910494014 78.960 16 Se 0.75174731348073 0.27680500982706 0.49427761875963 78.960 17 Se 0.24825268651927 0.77680500982706 0.00572238124037 78.960 18 Se 0.33586078004087 0.02743883628475 0.31569910494014 78.960 19 Se 0.23986983259270 0.22574768006162 0.98936976691751 78.960 20 Se 0.23986983259270 0.27425231993838 0.48936976691751 78.960 21 Se 0.24825268651927 0.72319499017294 0.50572238124037 78.960 22 Se 0.75174731348073 0.22319499017294 0.99427761875963 78.960 23 Se 0.76013016740730 0.72574768006162 0.51063023308249 78.960 24 Se 0.66413921995913 0.52743883628475 0.18430089505986 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.739493770382666 0.000000000000000 0.000000000000000 b 0.000000000000000 18.462276540000001 0.000000000000000 c -7.324674534513007 0.000000000000000 8.440397395008361 Atomic positions (fractional): 1 Tl 0.36884728100296 0.02013737579288 0.25382280618497 204.383 > 1 2 Tl 0.86884728100296 0.02013737579288 0.25382280618497 204.383 > 1 3 Tl 0.36884728100296 0.52013737579288 0.25382280618497 204.383 > 1 4 Tl 0.86884728100296 0.52013737579288 0.25382280618497 204.383 > 1 5 Tl 0.13115271899704 0.47986262420712 0.74617719381503 204.383 > 5 6 Tl 0.63115271899704 0.47986262420712 0.74617719381503 204.383 > 5 7 Tl 0.13115271899704 0.97986262420712 0.74617719381503 204.383 > 5 8 Tl 0.63115271899704 0.97986262420712 0.74617719381503 204.383 > 5 9 Tl 0.36884728100296 0.22986262420712 0.75382280618497 204.383 > 9 10 Tl 0.86884728100296 0.22986262420712 0.75382280618497 204.383 > 9 11 Tl 0.36884728100296 0.72986262420712 0.75382280618497 204.383 > 9 12 Tl 0.86884728100296 0.72986262420712 0.75382280618497 204.383 > 9 13 Tl 0.13115271899704 0.27013737579288 0.24617719381503 204.383 > 13 14 Tl 0.63115271899704 0.27013737579288 0.24617719381503 204.383 > 13 15 Tl 0.13115271899704 0.77013737579288 0.24617719381503 204.383 > 13 16 Tl 0.63115271899704 0.77013737579288 0.24617719381503 204.383 > 13 17 Cu 0.04068839825085 0.42149753974004 0.27161384848645 63.546 > 17 18 Cu 0.54068839825085 0.42149753974004 0.27161384848645 63.546 > 17 19 Cu 0.04068839825085 0.92149753974004 0.27161384848645 63.546 > 17 20 Cu 0.54068839825085 0.92149753974004 0.27161384848645 63.546 > 17 21 Cu 0.04068839825085 0.32850246025996 0.77161384848645 63.546 > 21 22 Cu 0.54068839825085 0.32850246025996 0.77161384848645 63.546 > 21 23 Cu 0.04068839825085 0.82850246025996 0.77161384848645 63.546 > 21 24 Cu 0.54068839825085 0.82850246025996 0.77161384848645 63.546 > 21 25 Cu 0.45931160174915 0.17149753974004 0.22838615151355 63.546 > 25 26 Cu 0.95931160174915 0.17149753974004 0.22838615151355 63.546 > 25 27 Cu 0.45931160174915 0.67149753974004 0.22838615151355 63.546 > 25 28 Cu 0.95931160174915 0.67149753974004 0.22838615151355 63.546 > 25 29 Cu 0.45931160174915 0.07850246025996 0.72838615151355 63.546 > 29 30 Cu 0.95931160174915 0.07850246025996 0.72838615151355 63.546 > 29 31 Cu 0.45931160174915 0.57850246025996 0.72838615151355 63.546 > 29 32 Cu 0.95931160174915 0.57850246025996 0.72838615151355 63.546 > 29 33 P 0.46258762666059 0.44841668145350 0.93067778491892 30.974 > 33 34 P 0.96258762666059 0.44841668145350 0.93067778491892 30.974 > 33 35 P 0.46258762666059 0.94841668145350 0.93067778491892 30.974 > 33 36 P 0.96258762666059 0.94841668145350 0.93067778491892 30.974 > 33 37 P 0.03741237333941 0.05158331854650 0.06932221508108 30.974 > 37 38 P 0.53741237333941 0.05158331854650 0.06932221508108 30.974 > 37 39 P 0.03741237333941 0.55158331854650 0.06932221508108 30.974 > 37 40 P 0.53741237333941 0.55158331854650 0.06932221508108 30.974 > 37 41 P 0.46258762666059 0.30158331854650 0.43067778491892 30.974 > 41 42 P 0.96258762666059 0.30158331854650 0.43067778491892 30.974 > 41 43 P 0.46258762666059 0.80158331854650 0.43067778491892 30.974 > 41 44 P 0.96258762666059 0.80158331854650 0.43067778491892 30.974 > 41 45 P 0.03741237333941 0.19841668145350 0.56932221508108 30.974 > 45 46 P 0.53741237333941 0.19841668145350 0.56932221508108 30.974 > 45 47 P 0.03741237333941 0.69841668145350 0.56932221508108 30.974 > 45 48 P 0.53741237333941 0.69841668145350 0.56932221508108 30.974 > 45 49 Se 0.38006508370365 0.38712615996919 0.01063023308249 78.960 > 49 50 Se 0.88006508370365 0.38712615996919 0.01063023308249 78.960 > 49 51 Se 0.38006508370365 0.88712615996919 0.01063023308249 78.960 > 49 52 Se 0.88006508370365 0.88712615996919 0.01063023308249 78.960 > 49 53 Se 0.33206960997957 0.48628058185763 0.68430089505986 78.960 > 53 54 Se 0.83206960997957 0.48628058185763 0.68430089505986 78.960 > 53 55 Se 0.33206960997957 0.98628058185763 0.68430089505986 78.960 > 53 56 Se 0.83206960997957 0.98628058185763 0.68430089505986 78.960 > 53 57 Se 0.16793039002043 0.23628058185763 0.81569910494014 78.960 > 57 58 Se 0.66793039002043 0.23628058185763 0.81569910494014 78.960 > 57 59 Se 0.16793039002043 0.73628058185763 0.81569910494014 78.960 > 57 60 Se 0.66793039002043 0.73628058185763 0.81569910494014 78.960 > 57 61 Se 0.37587365674036 0.13840250491353 0.49427761875963 78.960 > 61 62 Se 0.87587365674036 0.13840250491353 0.49427761875963 78.960 > 61 63 Se 0.37587365674036 0.63840250491353 0.49427761875963 78.960 > 61 64 Se 0.87587365674036 0.63840250491353 0.49427761875963 78.960 > 61 65 Se 0.12412634325964 0.38840250491353 0.00572238124037 78.960 > 65 66 Se 0.62412634325964 0.38840250491353 0.00572238124037 78.960 > 65 67 Se 0.12412634325964 0.88840250491353 0.00572238124037 78.960 > 65 68 Se 0.62412634325964 0.88840250491353 0.00572238124037 78.960 > 65 69 Se 0.16793039002043 0.01371941814237 0.31569910494014 78.960 > 69 70 Se 0.66793039002043 0.01371941814237 0.31569910494014 78.960 > 69 71 Se 0.16793039002043 0.51371941814237 0.31569910494014 78.960 > 69 72 Se 0.66793039002043 0.51371941814237 0.31569910494014 78.960 > 69 73 Se 0.11993491629635 0.11287384003081 0.98936976691751 78.960 > 73 74 Se 0.61993491629635 0.11287384003081 0.98936976691751 78.960 > 73 75 Se 0.11993491629635 0.61287384003081 0.98936976691751 78.960 > 73 76 Se 0.61993491629635 0.61287384003081 0.98936976691751 78.960 > 73 77 Se 0.11993491629635 0.13712615996919 0.48936976691751 78.960 > 77 78 Se 0.61993491629635 0.13712615996919 0.48936976691751 78.960 > 77 79 Se 0.11993491629635 0.63712615996919 0.48936976691751 78.960 > 77 80 Se 0.61993491629635 0.63712615996919 0.48936976691751 78.960 > 77 81 Se 0.12412634325964 0.36159749508647 0.50572238124037 78.960 > 81 82 Se 0.62412634325964 0.36159749508647 0.50572238124037 78.960 > 81 83 Se 0.12412634325964 0.86159749508647 0.50572238124037 78.960 > 81 84 Se 0.62412634325964 0.86159749508647 0.50572238124037 78.960 > 81 85 Se 0.37587365674036 0.11159749508647 0.99427761875963 78.960 > 85 86 Se 0.87587365674036 0.11159749508647 0.99427761875963 78.960 > 85 87 Se 0.37587365674036 0.61159749508647 0.99427761875963 78.960 > 85 88 Se 0.87587365674036 0.61159749508647 0.99427761875963 78.960 > 85 89 Se 0.38006508370365 0.36287384003081 0.51063023308249 78.960 > 89 90 Se 0.88006508370365 0.36287384003081 0.51063023308249 78.960 > 89 91 Se 0.38006508370365 0.86287384003081 0.51063023308249 78.960 > 89 92 Se 0.88006508370365 0.86287384003081 0.51063023308249 78.960 > 89 93 Se 0.33206960997957 0.26371941814237 0.18430089505986 78.960 > 93 94 Se 0.83206960997957 0.26371941814237 0.18430089505986 78.960 > 93 95 Se 0.33206960997957 0.76371941814237 0.18430089505986 78.960 > 93 96 Se 0.83206960997957 0.76371941814237 0.18430089505986 78.960 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.1250418 0.0000000 -0.5415060 0.0000000 10.0713268 0.0000000 -0.5415076 0.0000000 10.7057477 -------------------------- Born effective charges -------------------------- 1 Tl 2.7769970 0.0215708 0.0091024 0.2509640 2.0436944 0.2127943 0.0608441 0.2959135 1.9589142 2 Tl 2.7769970 0.0215708 0.0091024 0.2509640 2.0436944 0.2127943 0.0608441 0.2959135 1.9589142 3 Tl 2.7769970 -0.0215708 0.0091024 -0.2509640 2.0436944 -0.2127943 0.0608441 -0.2959135 1.9589142 4 Tl 2.7769970 -0.0215708 0.0091024 -0.2509640 2.0436944 -0.2127943 0.0608441 -0.2959135 1.9589142 5 Cu 0.1691831 0.3327892 0.0169488 0.3653179 0.2583822 -0.0800044 0.0714295 0.0533980 0.3814588 6 Cu 0.1691831 -0.3327892 0.0169488 -0.3653179 0.2583822 0.0800044 0.0714295 -0.0533980 0.3814588 7 Cu 0.1691831 -0.3327892 0.0169488 -0.3653179 0.2583822 0.0800044 0.0714295 -0.0533980 0.3814588 8 Cu 0.1691831 0.3327892 0.0169488 0.3653179 0.2583822 -0.0800044 0.0714295 0.0533980 0.3814588 9 P 1.9897007 -0.0817332 -0.2880941 -0.6321688 1.0852374 -0.4601551 -0.4592564 -0.5350223 1.9358811 10 P 1.9897007 -0.0817332 -0.2880941 -0.6321688 1.0852374 -0.4601551 -0.4592564 -0.5350223 1.9358811 11 P 1.9897007 0.0817332 -0.2880941 0.6321688 1.0852374 0.4601551 -0.4592564 0.5350223 1.9358811 12 P 1.9897007 0.0817332 -0.2880941 0.6321688 1.0852374 0.4601551 -0.4592564 0.5350223 1.9358811 13 Se -1.6175223 0.4087980 -0.2318569 0.5934681 -0.9450544 0.0007969 -0.2164431 -0.0474116 -1.2615105 14 Se -1.6580718 -0.1584724 0.1581865 -0.1175464 -1.2430755 -0.0737766 0.0198086 0.0866552 -1.9370968 15 Se -1.6580718 0.1584724 0.1581865 0.1175464 -1.2430755 0.0737766 0.0198086 -0.0866552 -1.9370968 16 Se -1.6602867 0.3112014 0.3357133 0.0453286 -1.1991841 0.0113890 0.5236173 0.1283142 -1.0776467 17 Se -1.6602867 -0.3112014 0.3357133 -0.0453286 -1.1991841 -0.0113890 0.5236173 -0.1283142 -1.0776467 18 Se -1.6580718 -0.1584724 0.1581865 -0.1175464 -1.2430755 -0.0737766 0.0198086 0.0866552 -1.9370968 19 Se -1.6175223 0.4087980 -0.2318569 0.5934681 -0.9450544 0.0007969 -0.2164431 -0.0474116 -1.2615105 20 Se -1.6175223 -0.4087980 -0.2318569 -0.5934681 -0.9450544 -0.0007969 -0.2164431 0.0474116 -1.2615105 21 Se -1.6602867 0.3112014 0.3357133 0.0453286 -1.1991841 0.0113890 0.5236173 0.1283142 -1.0776467 22 Se -1.6602867 -0.3112014 0.3357133 -0.0453286 -1.1991841 -0.0113890 0.5236173 -0.1283142 -1.0776467 23 Se -1.6175223 -0.4087980 -0.2318569 -0.5934681 -0.9450544 -0.0007969 -0.2164431 0.0474116 -1.2615105 24 Se -1.6580718 0.1584724 0.1581865 0.1175464 -1.2430755 0.0737766 0.0198086 -0.0866552 -1.9370968 ---------------------------------------------------------------------------- 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] [-0.0066 0.0000 0.0076] [ 0.0066 0.0000 -0.0076] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0066 0.0000 0.0076] [ 0.0066 0.0000 -0.0076] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0066 0.0000 0.0076] [ 0.0066 0.0000 -0.0076] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0066 0.0000 0.0076] [ 0.0066 0.0000 -0.0076] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0066 0.0000 0.0076] [ 0.0066 0.0000 -0.0076] Computing fc3[ 61, 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] [-0.0066 0.0000 0.0076] [ 0.0066 0.0000 -0.0076] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:29:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:29:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.369746885191333 0.000000000000000 0.000000000000000 b 0.000000000000000 9.231138270000001 0.000000000000000 c -7.324674534513007 0.000000000000000 8.440397395008361 Atomic positions (fractional): 1 Tl 0.73769456200592 0.04027475158575 0.25382280618497 204.383 2 Tl 0.26230543799408 0.95972524841425 0.74617719381503 204.383 3 Tl 0.73769456200592 0.45972524841425 0.75382280618497 204.383 4 Tl 0.26230543799408 0.54027475158575 0.24617719381503 204.383 5 Cu 0.08137679650171 0.84299507948009 0.27161384848645 63.546 6 Cu 0.08137679650171 0.65700492051991 0.77161384848645 63.546 7 Cu 0.91862320349829 0.34299507948009 0.22838615151355 63.546 8 Cu 0.91862320349829 0.15700492051991 0.72838615151355 63.546 9 P 0.92517525332117 0.89683336290701 0.93067778491892 30.974 10 P 0.07482474667883 0.10316663709299 0.06932221508108 30.974 11 P 0.92517525332117 0.60316663709299 0.43067778491892 30.974 12 P 0.07482474667883 0.39683336290701 0.56932221508108 30.974 13 Se 0.76013016740730 0.77425231993838 0.01063023308249 78.960 14 Se 0.66413921995913 0.97256116371525 0.68430089505986 78.960 15 Se 0.33586078004087 0.47256116371525 0.81569910494014 78.960 16 Se 0.75174731348073 0.27680500982706 0.49427761875963 78.960 17 Se 0.24825268651927 0.77680500982706 0.00572238124037 78.960 18 Se 0.33586078004087 0.02743883628475 0.31569910494014 78.960 19 Se 0.23986983259270 0.22574768006162 0.98936976691751 78.960 20 Se 0.23986983259270 0.27425231993838 0.48936976691751 78.960 21 Se 0.24825268651927 0.72319499017294 0.50572238124037 78.960 22 Se 0.75174731348073 0.22319499017294 0.99427761875963 78.960 23 Se 0.76013016740730 0.72574768006162 0.51063023308249 78.960 24 Se 0.66413921995913 0.52743883628475 0.18430089505986 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.739493770382666 0.000000000000000 0.000000000000000 b 0.000000000000000 18.462276540000001 0.000000000000000 c -7.324674534513007 0.000000000000000 8.440397395008361 Atomic positions (fractional): 1 Tl 0.36884728100296 0.02013737579288 0.25382280618497 204.383 > 1 2 Tl 0.86884728100296 0.02013737579288 0.25382280618497 204.383 > 1 3 Tl 0.36884728100296 0.52013737579288 0.25382280618497 204.383 > 1 4 Tl 0.86884728100296 0.52013737579288 0.25382280618497 204.383 > 1 5 Tl 0.13115271899704 0.47986262420712 0.74617719381503 204.383 > 5 6 Tl 0.63115271899704 0.47986262420712 0.74617719381503 204.383 > 5 7 Tl 0.13115271899704 0.97986262420712 0.74617719381503 204.383 > 5 8 Tl 0.63115271899704 0.97986262420712 0.74617719381503 204.383 > 5 9 Tl 0.36884728100296 0.22986262420712 0.75382280618497 204.383 > 9 10 Tl 0.86884728100296 0.22986262420712 0.75382280618497 204.383 > 9 11 Tl 0.36884728100296 0.72986262420712 0.75382280618497 204.383 > 9 12 Tl 0.86884728100296 0.72986262420712 0.75382280618497 204.383 > 9 13 Tl 0.13115271899704 0.27013737579288 0.24617719381503 204.383 > 13 14 Tl 0.63115271899704 0.27013737579288 0.24617719381503 204.383 > 13 15 Tl 0.13115271899704 0.77013737579288 0.24617719381503 204.383 > 13 16 Tl 0.63115271899704 0.77013737579288 0.24617719381503 204.383 > 13 17 Cu 0.04068839825085 0.42149753974004 0.27161384848645 63.546 > 17 18 Cu 0.54068839825085 0.42149753974004 0.27161384848645 63.546 > 17 19 Cu 0.04068839825085 0.92149753974004 0.27161384848645 63.546 > 17 20 Cu 0.54068839825085 0.92149753974004 0.27161384848645 63.546 > 17 21 Cu 0.04068839825085 0.32850246025996 0.77161384848645 63.546 > 21 22 Cu 0.54068839825085 0.32850246025996 0.77161384848645 63.546 > 21 23 Cu 0.04068839825085 0.82850246025996 0.77161384848645 63.546 > 21 24 Cu 0.54068839825085 0.82850246025996 0.77161384848645 63.546 > 21 25 Cu 0.45931160174915 0.17149753974004 0.22838615151355 63.546 > 25 26 Cu 0.95931160174915 0.17149753974004 0.22838615151355 63.546 > 25 27 Cu 0.45931160174915 0.67149753974004 0.22838615151355 63.546 > 25 28 Cu 0.95931160174915 0.67149753974004 0.22838615151355 63.546 > 25 29 Cu 0.45931160174915 0.07850246025996 0.72838615151355 63.546 > 29 30 Cu 0.95931160174915 0.07850246025996 0.72838615151355 63.546 > 29 31 Cu 0.45931160174915 0.57850246025996 0.72838615151355 63.546 > 29 32 Cu 0.95931160174915 0.57850246025996 0.72838615151355 63.546 > 29 33 P 0.46258762666059 0.44841668145350 0.93067778491892 30.974 > 33 34 P 0.96258762666059 0.44841668145350 0.93067778491892 30.974 > 33 35 P 0.46258762666059 0.94841668145350 0.93067778491892 30.974 > 33 36 P 0.96258762666059 0.94841668145350 0.93067778491892 30.974 > 33 37 P 0.03741237333941 0.05158331854650 0.06932221508108 30.974 > 37 38 P 0.53741237333941 0.05158331854650 0.06932221508108 30.974 > 37 39 P 0.03741237333941 0.55158331854650 0.06932221508108 30.974 > 37 40 P 0.53741237333941 0.55158331854650 0.06932221508108 30.974 > 37 41 P 0.46258762666059 0.30158331854650 0.43067778491892 30.974 > 41 42 P 0.96258762666059 0.30158331854650 0.43067778491892 30.974 > 41 43 P 0.46258762666059 0.80158331854650 0.43067778491892 30.974 > 41 44 P 0.96258762666059 0.80158331854650 0.43067778491892 30.974 > 41 45 P 0.03741237333941 0.19841668145350 0.56932221508108 30.974 > 45 46 P 0.53741237333941 0.19841668145350 0.56932221508108 30.974 > 45 47 P 0.03741237333941 0.69841668145350 0.56932221508108 30.974 > 45 48 P 0.53741237333941 0.69841668145350 0.56932221508108 30.974 > 45 49 Se 0.38006508370365 0.38712615996919 0.01063023308249 78.960 > 49 50 Se 0.88006508370365 0.38712615996919 0.01063023308249 78.960 > 49 51 Se 0.38006508370365 0.88712615996919 0.01063023308249 78.960 > 49 52 Se 0.88006508370365 0.88712615996919 0.01063023308249 78.960 > 49 53 Se 0.33206960997957 0.48628058185763 0.68430089505986 78.960 > 53 54 Se 0.83206960997957 0.48628058185763 0.68430089505986 78.960 > 53 55 Se 0.33206960997957 0.98628058185763 0.68430089505986 78.960 > 53 56 Se 0.83206960997957 0.98628058185763 0.68430089505986 78.960 > 53 57 Se 0.16793039002043 0.23628058185763 0.81569910494014 78.960 > 57 58 Se 0.66793039002043 0.23628058185763 0.81569910494014 78.960 > 57 59 Se 0.16793039002043 0.73628058185763 0.81569910494014 78.960 > 57 60 Se 0.66793039002043 0.73628058185763 0.81569910494014 78.960 > 57 61 Se 0.37587365674036 0.13840250491353 0.49427761875963 78.960 > 61 62 Se 0.87587365674036 0.13840250491353 0.49427761875963 78.960 > 61 63 Se 0.37587365674036 0.63840250491353 0.49427761875963 78.960 > 61 64 Se 0.87587365674036 0.63840250491353 0.49427761875963 78.960 > 61 65 Se 0.12412634325964 0.38840250491353 0.00572238124037 78.960 > 65 66 Se 0.62412634325964 0.38840250491353 0.00572238124037 78.960 > 65 67 Se 0.12412634325964 0.88840250491353 0.00572238124037 78.960 > 65 68 Se 0.62412634325964 0.88840250491353 0.00572238124037 78.960 > 65 69 Se 0.16793039002043 0.01371941814237 0.31569910494014 78.960 > 69 70 Se 0.66793039002043 0.01371941814237 0.31569910494014 78.960 > 69 71 Se 0.16793039002043 0.51371941814237 0.31569910494014 78.960 > 69 72 Se 0.66793039002043 0.51371941814237 0.31569910494014 78.960 > 69 73 Se 0.11993491629635 0.11287384003081 0.98936976691751 78.960 > 73 74 Se 0.61993491629635 0.11287384003081 0.98936976691751 78.960 > 73 75 Se 0.11993491629635 0.61287384003081 0.98936976691751 78.960 > 73 76 Se 0.61993491629635 0.61287384003081 0.98936976691751 78.960 > 73 77 Se 0.11993491629635 0.13712615996919 0.48936976691751 78.960 > 77 78 Se 0.61993491629635 0.13712615996919 0.48936976691751 78.960 > 77 79 Se 0.11993491629635 0.63712615996919 0.48936976691751 78.960 > 77 80 Se 0.61993491629635 0.63712615996919 0.48936976691751 78.960 > 77 81 Se 0.12412634325964 0.36159749508647 0.50572238124037 78.960 > 81 82 Se 0.62412634325964 0.36159749508647 0.50572238124037 78.960 > 81 83 Se 0.12412634325964 0.86159749508647 0.50572238124037 78.960 > 81 84 Se 0.62412634325964 0.86159749508647 0.50572238124037 78.960 > 81 85 Se 0.37587365674036 0.11159749508647 0.99427761875963 78.960 > 85 86 Se 0.87587365674036 0.11159749508647 0.99427761875963 78.960 > 85 87 Se 0.37587365674036 0.61159749508647 0.99427761875963 78.960 > 85 88 Se 0.87587365674036 0.61159749508647 0.99427761875963 78.960 > 85 89 Se 0.38006508370365 0.36287384003081 0.51063023308249 78.960 > 89 90 Se 0.88006508370365 0.36287384003081 0.51063023308249 78.960 > 89 91 Se 0.38006508370365 0.86287384003081 0.51063023308249 78.960 > 89 92 Se 0.88006508370365 0.86287384003081 0.51063023308249 78.960 > 89 93 Se 0.33206960997957 0.26371941814237 0.18430089505986 78.960 > 93 94 Se 0.83206960997957 0.26371941814237 0.18430089505986 78.960 > 93 95 Se 0.33206960997957 0.76371941814237 0.18430089505986 78.960 > 93 96 Se 0.83206960997957 0.76371941814237 0.18430089505986 78.960 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 11.1250418 0.0000000 -0.5415060 0.0000000 10.0713268 0.0000000 -0.5415076 0.0000000 10.7057477 -------------------------- Born effective charges -------------------------- 1 Tl 2.7769970 0.0215708 0.0091024 0.2509640 2.0436944 0.2127943 0.0608441 0.2959135 1.9589142 2 Tl 2.7769970 0.0215708 0.0091024 0.2509640 2.0436944 0.2127943 0.0608441 0.2959135 1.9589142 3 Tl 2.7769970 -0.0215708 0.0091024 -0.2509640 2.0436944 -0.2127943 0.0608441 -0.2959135 1.9589142 4 Tl 2.7769970 -0.0215708 0.0091024 -0.2509640 2.0436944 -0.2127943 0.0608441 -0.2959135 1.9589142 5 Cu 0.1691831 0.3327892 0.0169488 0.3653179 0.2583822 -0.0800044 0.0714295 0.0533980 0.3814588 6 Cu 0.1691831 -0.3327892 0.0169488 -0.3653179 0.2583822 0.0800044 0.0714295 -0.0533980 0.3814588 7 Cu 0.1691831 -0.3327892 0.0169488 -0.3653179 0.2583822 0.0800044 0.0714295 -0.0533980 0.3814588 8 Cu 0.1691831 0.3327892 0.0169488 0.3653179 0.2583822 -0.0800044 0.0714295 0.0533980 0.3814588 9 P 1.9897007 -0.0817332 -0.2880941 -0.6321688 1.0852374 -0.4601551 -0.4592564 -0.5350223 1.9358811 10 P 1.9897007 -0.0817332 -0.2880941 -0.6321688 1.0852374 -0.4601551 -0.4592564 -0.5350223 1.9358811 11 P 1.9897007 0.0817332 -0.2880941 0.6321688 1.0852374 0.4601551 -0.4592564 0.5350223 1.9358811 12 P 1.9897007 0.0817332 -0.2880941 0.6321688 1.0852374 0.4601551 -0.4592564 0.5350223 1.9358811 13 Se -1.6175223 0.4087980 -0.2318569 0.5934681 -0.9450544 0.0007969 -0.2164431 -0.0474116 -1.2615105 14 Se -1.6580718 -0.1584724 0.1581865 -0.1175464 -1.2430755 -0.0737766 0.0198086 0.0866552 -1.9370968 15 Se -1.6580718 0.1584724 0.1581865 0.1175464 -1.2430755 0.0737766 0.0198086 -0.0866552 -1.9370968 16 Se -1.6602867 0.3112014 0.3357133 0.0453286 -1.1991841 0.0113890 0.5236173 0.1283142 -1.0776467 17 Se -1.6602867 -0.3112014 0.3357133 -0.0453286 -1.1991841 -0.0113890 0.5236173 -0.1283142 -1.0776467 18 Se -1.6580718 -0.1584724 0.1581865 -0.1175464 -1.2430755 -0.0737766 0.0198086 0.0866552 -1.9370968 19 Se -1.6175223 0.4087980 -0.2318569 0.5934681 -0.9450544 0.0007969 -0.2164431 -0.0474116 -1.2615105 20 Se -1.6175223 -0.4087980 -0.2318569 -0.5934681 -0.9450544 -0.0007969 -0.2164431 0.0474116 -1.2615105 21 Se -1.6602867 0.3112014 0.3357133 0.0453286 -1.1991841 0.0113890 0.5236173 0.1283142 -1.0776467 22 Se -1.6602867 -0.3112014 0.3357133 -0.0453286 -1.1991841 -0.0113890 0.5236173 -0.1283142 -1.0776467 23 Se -1.6175223 -0.4087980 -0.2318569 -0.5934681 -0.9450544 -0.0007969 -0.2164431 0.0474116 -1.2615105 24 Se -1.6580718 0.1584724 0.1581865 0.1175464 -1.2430755 0.0737766 0.0198086 -0.0866552 -1.9370968 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 5 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.50, Number of G-points: 303, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 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 0.557 ( 0.000 0.000 0.000) 0.000 0.640 ( 0.000 0.000 0.000) 0.000 0.654 ( 0.000 0.000 0.000) 0.000 0.655 ( 0.000 0.000 0.000) 0.000 0.811 ( 0.000 0.000 0.000) 0.000 0.882 ( 0.000 0.000 0.000) 0.000 0.910 ( 0.000 0.000 0.000) 0.000 0.972 ( 0.000 0.000 0.000) 0.000 0.999 ( 0.000 0.000 0.000) 0.000 1.137 ( 0.000 0.000 0.000) 0.000 1.213 ( 0.000 0.000 0.000) 0.000 1.251 ( 0.000 0.000 0.000) 0.000 1.306 ( 0.000 0.000 0.000) 0.000 1.385 ( 0.000 0.000 0.000) 0.000 1.556 ( 0.000 0.000 0.000) 0.000 1.569 ( 0.000 0.000 0.000) 0.000 1.701 ( 0.000 0.000 0.000) 0.000 1.752 ( 0.000 0.000 0.000) 0.000 1.826 ( 0.000 0.000 0.000) 0.000 1.867 ( 0.000 0.000 0.000) 0.000 2.032 ( 0.000 0.000 0.000) 0.000 2.042 ( 0.000 0.000 0.000) 0.000 2.095 ( 0.000 0.000 0.000) 0.000 2.196 ( 0.000 0.000 0.000) 0.000 2.209 ( 0.000 0.000 0.000) 0.000 2.349 ( 0.000 0.000 0.000) 0.000 2.357 ( 0.000 0.000 0.000) 0.000 2.619 ( 0.000 0.000 0.000) 0.000 2.666 ( 0.000 0.000 0.000) 0.000 2.677 ( 0.000 0.000 0.000) 0.000 2.767 ( 0.000 0.000 0.000) 0.000 2.900 ( 0.000 0.000 0.000) 0.000 2.994 ( 0.000 0.000 0.000) 0.000 3.215 ( 0.000 0.000 0.000) 0.000 3.257 ( 0.000 0.000 0.000) 0.000 3.360 ( 0.000 0.000 0.000) 0.000 3.607 ( 0.000 0.000 0.000) 0.000 3.666 ( 0.000 0.000 0.000) 0.000 3.863 ( 0.000 0.000 0.000) 0.000 4.248 ( 0.000 0.000 0.000) 0.000 4.409 ( 0.000 0.000 0.000) 0.000 4.764 ( 0.000 0.000 0.000) 0.000 4.792 ( 0.000 0.000 0.000) 0.000 5.042 ( 0.000 0.000 0.000) 0.000 5.187 ( 0.000 0.000 0.000) 0.000 5.309 ( 0.000 0.000 0.000) 0.000 5.316 ( 0.000 0.000 0.000) 0.000 6.033 ( 0.000 0.000 0.000) 0.000 6.067 ( 0.000 0.000 0.000) 0.000 6.549 ( 0.000 0.000 0.000) 0.000 6.556 ( 0.000 0.000 0.000) 0.000 6.591 ( 0.000 0.000 0.000) 0.000 6.621 ( 0.000 0.000 0.000) 0.000 7.091 ( 0.000 0.000 0.000) 0.000 7.114 ( 0.000 0.000 0.000) 0.000 7.170 ( 0.000 0.000 0.000) 0.000 7.258 ( 0.000 0.000 0.000) 0.000 8.330 ( 0.000 0.000 0.000) 0.000 8.437 ( 0.000 0.000 0.000) 0.000 12.133 ( 0.000 0.000 0.000) 0.000 12.170 ( 0.000 0.000 0.000) 0.000 12.202 ( 0.000 0.000 0.000) 0.000 12.480 ( 0.000 0.000 0.000) 0.000 13.032 ( 0.000 0.000 0.000) 0.000 13.074 ( 0.000 0.000 0.000) 0.000 13.100 ( 0.000 0.000 0.000) 0.000 13.491 ( 0.000 0.000 0.000) 0.000 13.823 ( 0.000 0.000 0.000) 0.000 13.966 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.278 ( 7.446 0.000 10.741) 13.070 0.304 ( 8.532 0.000 11.168) 14.054 0.502 ( 15.111 0.000 10.785) 18.565 0.587 ( 6.809 0.000 2.419) 7.226 0.643 ( -1.491 0.000 0.688) 1.642 0.666 ( 0.893 0.000 0.386) 0.973 0.756 ( -6.400 0.000 11.552) 13.207 0.817 ( -0.015 0.000 1.195) 1.195 0.914 ( 3.811 0.000 0.255) 3.820 0.970 ( 0.263 0.000 -0.688) 0.736 0.994 ( -0.209 0.000 -0.713) 0.743 1.119 ( -2.465 0.000 -0.117) 2.468 1.125 ( -0.976 0.000 -1.055) 1.437 1.205 ( -0.547 0.000 0.511) 0.749 1.252 ( 4.251 0.000 -4.126) 5.924 1.420 ( 3.896 0.000 -0.253) 3.904 1.518 ( 2.950 0.000 -3.406) 4.505 1.544 ( 1.719 0.000 -2.904) 3.375 1.582 ( 2.105 0.000 1.763) 2.746 1.725 ( 2.574 0.000 0.182) 2.580 1.763 ( -2.554 0.000 5.348) 5.926 1.860 ( 3.968 0.000 -0.421) 3.991 1.942 ( 4.497 0.000 -3.850) 5.920 2.021 ( -0.643 0.000 -2.330) 2.417 2.052 ( 1.412 0.000 -0.500) 1.498 2.099 ( -0.196 0.000 0.822) 0.845 2.203 ( -0.532 0.000 -0.711) 0.888 2.219 ( 2.279 0.000 -0.241) 2.292 2.316 ( -2.272 0.000 -2.074) 3.076 2.356 ( 0.663 0.000 0.291) 0.724 2.635 ( -0.179 0.000 -0.521) 0.551 2.657 ( -2.664 0.000 2.507) 3.658 2.685 ( 0.328 0.000 0.151) 0.361 2.799 ( 3.583 0.000 -0.904) 3.695 2.889 ( -0.273 0.000 -1.228) 1.258 3.006 ( 0.364 0.000 1.368) 1.416 3.221 ( -0.518 0.000 -3.984) 4.017 3.241 ( 1.824 0.000 -2.833) 3.369 3.377 ( -1.390 0.000 3.745) 3.995 3.634 ( 3.368 0.000 -0.010) 3.368 3.691 ( 2.966 0.000 0.135) 2.969 3.848 ( -2.836 0.000 0.979) 3.000 4.234 ( -1.135 0.000 -0.912) 1.456 4.366 ( -2.846 0.000 -3.108) 4.214 4.748 ( -1.491 0.000 -0.730) 1.660 4.775 ( -1.801 0.000 -1.913) 2.627 5.026 ( 0.116 0.000 -2.168) 2.171 5.223 ( 1.300 0.000 3.290) 3.537 5.275 ( 0.170 0.000 -2.845) 2.850 5.348 ( -0.523 0.000 2.932) 2.978 6.035 ( -0.220 0.000 0.572) 0.612 6.065 ( -0.522 0.000 0.327) 0.616 6.551 ( 0.036 0.000 0.321) 0.323 6.557 ( -0.157 0.000 0.338) 0.372 6.612 ( 0.710 0.000 -1.220) 1.411 6.618 ( -0.077 0.000 -0.284) 0.294 7.093 ( -0.039 0.000 0.259) 0.262 7.118 ( -0.781 0.000 1.007) 1.275 7.171 ( 0.139 0.000 -0.036) 0.144 7.254 ( -0.181 0.000 -0.413) 0.451 8.321 ( -4.036 0.000 1.546) 4.321 8.424 ( -2.005 0.000 0.443) 2.054 12.148 ( 1.810 0.000 0.186) 1.820 12.190 ( 3.335 0.000 -4.904) 5.930 12.253 ( 3.799 0.000 -1.823) 4.213 12.474 ( -0.426 0.000 -0.412) 0.592 13.029 ( -0.658 0.000 0.327) 0.735 13.054 ( -2.026 0.000 0.030) 2.026 13.106 ( -0.841 0.000 1.247) 1.504 13.537 ( -8.252 0.000 4.039) 9.188 13.805 ( -2.043 0.000 -0.246) 2.057 13.957 ( -1.049 0.000 -0.091) 1.053 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( 4.699 0.000 6.581) 8.087 0.521 ( 4.350 0.000 6.266) 7.628 0.596 ( 1.844 0.000 1.280) 2.245 0.634 ( -1.291 0.000 1.503) 1.981 0.699 ( 1.867 0.000 1.701) 2.525 0.793 ( 0.587 0.000 -0.207) 0.622 0.864 ( 2.341 0.000 7.643) 7.994 0.923 ( 4.608 0.000 6.654) 8.094 0.975 ( 0.003 0.000 -1.412) 1.412 0.977 ( 4.153 0.000 2.238) 4.717 0.991 ( 5.702 0.000 -0.583) 5.732 1.076 ( -2.226 0.000 -2.342) 3.231 1.076 ( -1.347 0.000 -1.119) 1.751 1.242 ( 2.628 0.000 3.179) 4.125 1.295 ( 6.476 0.000 -0.412) 6.489 1.433 ( -0.572 0.000 -2.667) 2.727 1.496 ( -0.909 0.000 -0.838) 1.236 1.579 ( 6.807 0.000 -0.977) 6.877 1.671 ( 4.748 0.000 2.065) 5.177 1.771 ( 0.647 0.000 2.587) 2.667 1.821 ( 1.494 0.000 4.194) 4.452 1.915 ( 4.853 0.000 -1.173) 4.993 1.947 ( -1.466 0.000 -5.163) 5.367 1.967 ( 1.955 0.000 -0.636) 2.056 2.070 ( 1.081 0.000 0.138) 1.090 2.087 ( -2.057 0.000 -2.360) 3.130 2.166 ( -1.851 0.000 0.519) 1.922 2.275 ( 4.046 0.000 1.249) 4.235 2.297 ( 0.540 0.000 1.805) 1.884 2.376 ( 1.273 0.000 0.521) 1.376 2.632 ( -0.559 0.000 0.729) 0.918 2.654 ( -2.308 0.000 2.272) 3.238 2.683 ( -1.477 0.000 1.085) 1.832 2.822 ( 1.599 0.000 -1.941) 2.515 2.868 ( -0.352 0.000 -0.867) 0.935 3.031 ( -0.810 0.000 2.242) 2.384 3.164 ( -0.015 0.000 -2.958) 2.958 3.230 ( 0.926 0.000 -1.777) 2.004 3.410 ( -0.611 0.000 3.463) 3.516 3.696 ( 4.347 0.000 -0.061) 4.347 3.744 ( 3.841 0.000 -0.607) 3.888 3.812 ( -3.819 0.000 1.761) 4.205 4.194 ( -1.517 0.000 -1.927) 2.453 4.254 ( -4.429 0.000 -4.943) 6.637 4.702 ( -2.736 0.000 -1.376) 3.063 4.705 ( -3.332 0.000 -2.530) 4.184 4.998 ( 0.198 0.000 -2.239) 2.247 5.244 ( -0.075 0.000 -1.950) 1.951 5.296 ( 1.690 0.000 3.859) 4.213 5.372 ( -0.464 0.000 1.958) 2.012 6.041 ( -0.329 0.000 0.939) 0.995 6.060 ( -0.815 0.000 0.403) 0.909 6.558 ( 0.060 0.000 0.555) 0.558 6.560 ( -0.254 0.000 0.658) 0.705 6.604 ( -0.072 0.000 -0.620) 0.624 6.611 ( -0.082 0.000 -0.567) 0.573 7.097 ( -0.024 0.000 0.409) 0.409 7.121 ( -0.453 0.000 0.879) 0.989 7.173 ( 0.181 0.000 -0.071) 0.195 7.243 ( -0.322 0.000 -0.748) 0.815 8.268 ( -4.406 0.000 0.359) 4.421 8.392 ( -3.114 0.000 0.786) 3.211 12.181 ( 2.873 0.000 -3.590) 4.598 12.189 ( 3.048 0.000 0.313) 3.064 12.288 ( 1.381 0.000 1.052) 1.736 12.456 ( -0.914 0.000 -0.733) 1.171 13.022 ( -1.002 0.000 0.706) 1.226 13.024 ( -2.694 0.000 1.045) 2.889 13.103 ( -1.620 0.000 1.077) 1.946 13.438 ( -7.263 0.000 -0.900) 7.318 13.763 ( -2.848 0.000 -0.240) 2.858 13.934 ( -1.656 0.000 -0.152) 1.663 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 0.098 0.000 2.516) 2.517 0.606 ( 2.286 0.000 4.607) 5.143 0.644 ( 2.016 0.000 1.680) 2.624 0.651 ( 0.641 0.000 1.182) 1.345 0.766 ( 2.439 0.000 2.929) 3.812 0.780 ( 0.234 0.000 -2.399) 2.410 0.897 ( -1.671 0.000 -0.919) 1.907 0.960 ( 1.230 0.000 -2.461) 2.751 1.012 ( -2.031 0.000 -1.287) 2.404 1.034 ( 2.306 0.000 7.531) 7.876 1.052 ( 3.785 0.000 -1.786) 4.185 1.055 ( 1.134 0.000 -0.114) 1.140 1.105 ( 3.254 0.000 0.626) 3.314 1.344 ( 2.507 0.000 1.815) 3.095 1.379 ( -0.181 0.000 -0.191) 0.263 1.385 ( -0.049 0.000 0.736) 0.738 1.527 ( 6.233 0.000 2.416) 6.684 1.681 ( 6.288 0.000 0.239) 6.293 1.751 ( 2.943 0.000 0.609) 3.005 1.793 ( -1.068 0.000 1.109) 1.540 1.845 ( -2.962 0.000 -4.057) 5.023 1.900 ( 2.754 0.000 2.425) 3.670 1.967 ( 3.035 0.000 -4.138) 5.132 1.997 ( 2.856 0.000 -0.861) 2.983 2.002 ( -2.141 0.000 0.179) 2.149 2.089 ( 0.764 0.000 0.653) 1.005 2.192 ( 1.297 0.000 3.120) 3.379 2.346 ( 0.605 0.000 2.897) 2.959 2.355 ( 4.699 0.000 0.110) 4.701 2.406 ( 0.237 0.000 2.055) 2.069 2.628 ( 0.722 0.000 -1.570) 1.728 2.639 ( -1.854 0.000 0.414) 1.899 2.674 ( -2.731 0.000 2.241) 3.533 2.799 ( -0.731 0.000 -2.213) 2.331 2.864 ( -0.152 0.000 0.925) 0.937 3.029 ( -1.955 0.000 1.437) 2.426 3.163 ( 1.320 0.000 0.495) 1.409 3.224 ( 0.681 0.000 -1.068) 1.267 3.448 ( 0.474 0.000 2.470) 2.515 3.743 ( -0.442 0.000 2.301) 2.343 3.768 ( 1.547 0.000 -2.838) 3.232 3.795 ( 0.379 0.000 -0.018) 0.379 4.132 ( -2.973 0.000 -3.755) 4.789 4.144 ( -0.964 0.000 -2.412) 2.597 4.620 ( -3.186 0.000 -2.271) 3.912 4.637 ( -2.968 0.000 -1.510) 3.330 4.976 ( 0.119 0.000 -1.525) 1.530 5.222 ( -0.206 0.000 -1.138) 1.156 5.364 ( 1.272 0.000 2.880) 3.149 5.386 ( -0.282 0.000 1.003) 1.041 6.048 ( -0.279 0.000 0.886) 0.929 6.052 ( -0.713 0.000 0.264) 0.761 6.567 ( 0.021 0.000 0.644) 0.644 6.567 ( -0.214 0.000 0.890) 0.915 6.594 ( -0.258 0.000 -0.482) 0.546 6.601 ( -0.017 0.000 -0.837) 0.837 7.102 ( 0.012 0.000 0.368) 0.368 7.128 ( -0.211 0.000 0.850) 0.876 7.174 ( 0.128 0.000 -0.074) 0.148 7.227 ( -0.350 0.000 -0.844) 0.914 8.208 ( -3.605 0.000 0.029) 3.605 8.357 ( -2.784 0.000 0.803) 2.897 12.181 ( 2.063 0.000 -2.106) 2.948 12.242 ( 3.191 0.000 0.301) 3.205 12.319 ( 0.666 0.000 1.132) 1.313 12.429 ( -1.284 0.000 -0.744) 1.484 13.003 ( -2.261 0.000 1.562) 2.748 13.022 ( -0.468 0.000 1.265) 1.349 13.088 ( -1.483 0.000 0.487) 1.561 13.308 ( -6.302 0.000 -2.685) 6.850 13.721 ( -2.218 0.000 -0.089) 2.219 13.907 ( -1.500 0.000 -0.152) 1.508 ======================= Grid point 4 (5/84) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -0.007 0.000 1.261) 1.261 0.665 ( 0.185 0.000 0.047) 0.191 0.683 ( 1.444 0.000 3.073) 3.395 0.693 ( 1.109 0.000 1.474) 1.844 0.741 ( -0.792 0.000 -2.730) 2.843 0.834 ( 1.571 0.000 2.288) 2.775 0.860 ( -1.133 0.000 -0.728) 1.347 0.923 ( -0.792 0.000 -2.715) 2.828 1.012 ( 1.094 0.000 1.285) 1.687 1.057 ( 0.666 0.000 -2.254) 2.350 1.086 ( 3.095 0.000 -0.438) 3.126 1.112 ( -0.193 0.000 0.440) 0.481 1.154 ( 1.225 0.000 2.712) 2.976 1.316 ( -1.117 0.000 -0.730) 1.334 1.347 ( -2.697 0.000 -0.318) 2.716 1.453 ( 2.036 0.000 1.743) 2.680 1.654 ( 3.934 0.000 1.709) 4.289 1.755 ( 2.547 0.000 0.348) 2.571 1.766 ( -0.214 0.000 -0.381) 0.437 1.781 ( -0.888 0.000 -0.054) 0.890 1.782 ( -0.428 0.000 -1.475) 1.536 1.913 ( -0.657 0.000 -1.902) 2.012 1.956 ( 1.426 0.000 0.864) 1.667 2.023 ( 1.276 0.000 -0.260) 1.302 2.024 ( 0.595 0.000 0.376) 0.704 2.105 ( 0.361 0.000 0.312) 0.477 2.268 ( 2.792 0.000 2.278) 3.604 2.364 ( -1.455 0.000 0.724) 1.626 2.409 ( 4.501 0.000 -2.506) 5.151 2.426 ( -2.641 0.000 3.314) 4.237 2.621 ( -0.576 0.000 -0.073) 0.580 2.621 ( 0.715 0.000 -1.021) 1.247 2.661 ( -1.461 0.000 0.929) 1.732 2.759 ( -0.802 0.000 -1.314) 1.539 2.878 ( -0.041 0.000 0.898) 0.899 3.026 ( -0.748 0.000 1.001) 1.250 3.189 ( 0.653 0.000 0.629) 0.907 3.222 ( 0.265 0.000 -0.384) 0.467 3.485 ( 0.665 0.000 1.466) 1.610 3.723 ( -0.818 0.000 -2.847) 2.962 3.760 ( -2.196 0.000 3.785) 4.375 3.801 ( 2.003 0.000 -2.560) 3.251 4.081 ( -0.302 0.000 -0.879) 0.929 4.111 ( -0.200 0.000 -1.164) 1.181 4.563 ( -1.325 0.000 -0.928) 1.618 4.586 ( -1.373 0.000 -0.705) 1.543 4.963 ( 0.031 0.000 -0.524) 0.525 5.209 ( -0.106 0.000 -0.384) 0.398 5.391 ( -0.090 0.000 0.297) 0.310 5.404 ( 0.446 0.000 1.048) 1.139 6.047 ( -0.275 0.000 0.083) 0.287 6.054 ( -0.107 0.000 0.365) 0.380 6.575 ( 0.041 0.000 0.447) 0.449 6.577 ( -0.160 0.000 1.070) 1.082 6.585 ( -0.147 0.000 -0.383) 0.410 6.589 ( 0.066 0.000 -1.034) 1.037 7.106 ( 0.013 0.000 0.147) 0.147 7.135 ( -0.037 0.000 0.421) 0.423 7.175 ( 0.042 0.000 -0.032) 0.053 7.213 ( -0.170 0.000 -0.429) 0.461 8.168 ( -1.398 0.000 -0.016) 1.398 8.334 ( -1.112 0.000 0.347) 1.165 12.185 ( 0.775 0.000 -0.687) 1.036 12.284 ( 1.633 0.000 0.142) 1.639 12.336 ( 0.197 0.000 0.448) 0.489 12.404 ( -0.867 0.000 -0.337) 0.930 12.995 ( -0.895 0.000 0.801) 1.201 13.042 ( 0.534 0.000 1.279) 1.386 13.075 ( -0.580 0.000 0.061) 0.583 13.198 ( -3.212 0.000 -2.005) 3.786 13.697 ( -0.803 0.000 -0.007) 0.803 13.889 ( -0.602 0.000 -0.067) 0.606 ======================= Grid point 9 (6/84) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.320 ( 0.000 11.210 0.000) 11.210 0.381 ( 0.000 12.787 0.000) 12.787 0.459 ( 0.000 12.231 0.000) 12.231 0.603 ( 0.000 6.277 0.000) 6.277 0.664 ( 0.000 -0.001 0.000) 0.001 0.672 ( 0.000 1.999 0.000) 1.999 0.742 ( 0.000 9.256 0.000) 9.256 0.850 ( 0.000 2.741 0.000) 2.741 0.954 ( 0.000 -0.741 0.000) 0.741 0.964 ( 0.000 3.951 0.000) 3.951 0.987 ( 0.000 1.514 0.000) 1.514 0.995 ( 0.000 0.723 0.000) 0.723 1.128 ( 0.000 -0.635 0.000) 0.635 1.207 ( 0.000 -3.032 0.000) 3.032 1.311 ( 0.000 0.815 0.000) 0.815 1.371 ( 0.000 -1.215 0.000) 1.215 1.480 ( 0.000 4.016 0.000) 4.016 1.537 ( 0.000 -3.209 0.000) 3.209 1.564 ( 0.000 0.724 0.000) 0.724 1.675 ( 0.000 -4.552 0.000) 4.552 1.712 ( 0.000 -0.365 0.000) 0.365 1.804 ( 0.000 -1.091 0.000) 1.091 1.911 ( 0.000 2.908 0.000) 2.908 2.002 ( 0.000 -2.376 0.000) 2.376 2.040 ( 0.000 -0.389 0.000) 0.389 2.177 ( 0.000 5.410 0.000) 5.410 2.187 ( 0.000 0.126 0.000) 0.126 2.236 ( 0.000 1.858 0.000) 1.858 2.254 ( 0.000 -5.875 0.000) 5.875 2.382 ( 0.000 0.176 0.000) 0.176 2.544 ( 0.000 -6.886 0.000) 6.886 2.595 ( 0.000 -2.298 0.000) 2.298 2.713 ( 0.000 -0.381 0.000) 0.381 2.733 ( 0.000 -2.788 0.000) 2.788 2.956 ( 0.000 3.665 0.000) 3.665 3.021 ( 0.000 1.911 0.000) 1.911 3.192 ( 0.000 -2.252 0.000) 2.252 3.219 ( 0.000 -3.053 0.000) 3.053 3.442 ( 0.000 4.584 0.000) 4.584 3.620 ( 0.000 1.061 0.000) 1.061 3.661 ( 0.000 -0.377 0.000) 0.377 3.840 ( 0.000 -2.380 0.000) 2.380 4.243 ( 0.000 -0.374 0.000) 0.374 4.356 ( 0.000 -4.031 0.000) 4.031 4.795 ( 0.000 0.111 0.000) 0.111 4.811 ( 0.000 -0.384 0.000) 0.384 5.073 ( 0.000 2.397 0.000) 2.397 5.181 ( 0.000 -0.550 0.000) 0.550 5.320 ( 0.000 0.310 0.000) 0.310 5.326 ( 0.000 0.330 0.000) 0.330 6.038 ( 0.000 0.464 0.000) 0.464 6.066 ( 0.000 -0.103 0.000) 0.103 6.552 ( 0.000 0.263 0.000) 0.263 6.557 ( 0.000 0.110 0.000) 0.110 6.599 ( 0.000 0.680 0.000) 0.680 6.643 ( 0.000 -0.359 0.000) 0.359 7.100 ( 0.000 0.277 0.000) 0.277 7.117 ( 0.000 0.149 0.000) 0.149 7.176 ( 0.000 0.608 0.000) 0.608 7.250 ( 0.000 -0.747 0.000) 0.747 8.352 ( 0.000 1.879 0.000) 1.879 8.469 ( 0.000 -0.680 0.000) 0.680 12.143 ( 0.000 0.226 0.000) 0.226 12.167 ( 0.000 -0.225 0.000) 0.225 12.227 ( 0.000 2.219 0.000) 2.219 12.451 ( 0.000 -2.533 0.000) 2.533 13.036 ( 0.000 0.561 0.000) 0.561 13.093 ( 0.000 -0.639 0.000) 0.639 13.167 ( 0.000 4.205 0.000) 4.205 13.465 ( 0.000 -2.352 0.000) 2.352 13.806 ( 0.000 -1.326 0.000) 1.326 13.923 ( 0.000 -3.618 0.000) 3.618 ======================= Grid point 10 (7/84) ======================= q-point: ( 0.11 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( 5.378 7.996 5.043) 10.876 0.431 ( 0.494 7.890 6.280) 10.096 0.546 ( 2.832 0.840 2.495) 3.867 0.625 ( -0.263 -0.284 2.379) 2.410 0.641 ( -0.833 1.183 0.512) 1.535 0.746 ( 8.106 7.692 1.544) 11.281 0.831 ( 1.514 4.443 6.327) 7.878 0.843 ( -0.318 3.616 0.062) 3.631 0.946 ( 1.412 1.412 0.809) 2.154 0.981 ( 0.792 2.393 -0.018) 2.521 0.996 ( -0.877 1.718 1.938) 2.734 1.049 ( 1.750 -1.768 1.119) 2.728 1.118 ( -0.878 -0.545 -0.783) 1.296 1.214 ( 3.230 -0.137 -2.926) 4.360 1.259 ( -2.127 1.350 0.449) 2.559 1.409 ( 4.872 -1.303 -0.649) 5.085 1.509 ( -0.137 -1.364 -1.617) 2.120 1.540 ( 2.690 -0.615 -1.993) 3.404 1.603 ( 4.189 1.973 1.322) 4.816 1.706 ( 1.759 -4.170 2.441) 5.143 1.732 ( 1.288 -0.118 1.172) 1.745 1.829 ( 2.246 -2.458 -0.002) 3.330 1.939 ( 2.929 1.215 -0.060) 3.171 1.977 ( -1.850 -3.051 -2.168) 4.175 2.042 ( -0.320 -0.284 1.036) 1.121 2.173 ( -0.629 3.676 0.731) 3.801 2.193 ( 3.225 -0.364 -2.473) 4.081 2.232 ( 0.548 1.918 -0.722) 2.121 2.277 ( -0.556 -1.708 2.734) 3.271 2.373 ( 0.213 0.578 -0.730) 0.956 2.549 ( -1.393 -7.172 2.434) 7.701 2.613 ( 1.678 -1.907 -0.256) 2.553 2.703 ( -1.931 0.115 1.072) 2.211 2.757 ( 2.255 -3.210 0.592) 3.967 2.933 ( -1.313 3.190 -1.585) 3.797 3.027 ( 0.320 1.729 0.793) 1.929 3.187 ( -0.758 -2.011 -2.402) 3.223 3.198 ( 0.352 -3.156 -0.953) 3.315 3.451 ( 0.928 5.055 0.557) 5.170 3.641 ( 2.677 0.721 0.238) 2.783 3.690 ( 3.058 -0.304 0.196) 3.079 3.826 ( -2.235 -2.155 0.693) 3.181 4.229 ( -0.917 -0.286 -1.078) 1.444 4.328 ( -1.630 -2.972 -2.419) 4.164 4.770 ( -1.976 0.084 -2.671) 3.323 4.779 ( -1.190 0.886 -1.198) 1.907 5.058 ( -0.186 2.604 -1.768) 3.153 5.206 ( 1.252 -1.334 1.470) 2.347 5.287 ( -0.323 0.895 -1.404) 1.696 5.351 ( -0.933 -0.029 2.653) 2.813 6.033 ( -0.636 0.073 0.107) 0.649 6.068 ( -0.421 0.031 0.611) 0.743 6.554 ( -0.006 0.228 0.304) 0.380 6.558 ( -0.132 0.119 0.332) 0.376 6.601 ( 0.174 0.170 -0.156) 0.289 6.633 ( -0.280 0.117 -0.800) 0.855 7.099 ( -0.166 0.396 0.204) 0.476 7.119 ( -0.361 0.065 0.651) 0.747 7.177 ( 0.068 0.559 -0.019) 0.564 7.246 ( -0.178 -0.727 -0.387) 0.842 8.334 ( -2.580 1.522 0.182) 3.001 8.439 ( -2.806 0.183 -0.115) 2.814 12.149 ( 1.672 0.245 -0.415) 1.740 12.188 ( 3.661 -0.622 -3.277) 4.953 12.249 ( 1.169 1.291 1.829) 2.526 12.448 ( -0.221 -2.301 -0.261) 2.327 13.023 ( -1.592 0.435 0.152) 1.657 13.081 ( -2.605 -0.107 1.469) 2.992 13.151 ( -0.337 4.586 -0.811) 4.670 13.470 ( -3.837 -4.039 2.414) 6.072 13.792 ( -1.550 -0.903 -0.071) 1.795 13.918 ( -0.778 -3.342 0.108) 3.433 ======================= Grid point 11 (8/84) ======================= q-point: ( 0.22 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 0.691 2.338 6.026) 6.501 0.535 ( 4.188 1.723 4.814) 6.609 0.603 ( 1.578 0.688 1.953) 2.603 0.632 ( -0.850 0.245 1.778) 1.986 0.676 ( 2.068 -1.767 2.564) 3.738 0.833 ( 0.379 2.556 -1.495) 2.985 0.869 ( 2.824 -1.252 0.447) 3.121 0.931 ( 3.193 0.140 3.992) 5.113 0.975 ( 0.543 -0.176 -1.636) 1.733 0.995 ( 3.408 1.787 1.367) 4.083 1.042 ( 0.065 -0.028 0.058) 0.091 1.062 ( 2.281 4.168 1.557) 5.000 1.105 ( -1.045 3.234 2.463) 4.197 1.223 ( 1.147 1.264 1.287) 2.138 1.302 ( 4.814 0.265 -0.059) 4.822 1.457 ( 2.368 -1.034 -0.674) 2.670 1.494 ( -0.331 1.799 -0.824) 2.006 1.574 ( 6.221 -1.060 -1.305) 6.444 1.674 ( 4.042 0.323 0.341) 4.069 1.766 ( 0.099 -1.251 2.332) 2.649 1.780 ( 3.551 -3.001 1.721) 4.958 1.846 ( 0.253 -4.877 -1.880) 5.233 1.906 ( -1.307 -2.108 -1.638) 2.972 1.985 ( 2.764 0.032 -0.096) 2.766 2.062 ( 1.096 1.709 0.562) 2.107 2.152 ( -3.508 3.123 0.757) 4.758 2.229 ( 3.317 -0.676 -1.459) 3.686 2.246 ( 2.768 4.015 0.501) 4.902 2.313 ( 0.557 -0.049 3.431) 3.476 2.382 ( 1.711 0.684 -0.473) 1.902 2.562 ( -2.532 -7.734 3.847) 9.002 2.619 ( 0.359 -1.148 -1.499) 1.922 2.689 ( -1.865 0.787 1.443) 2.486 2.803 ( 2.296 -1.743 0.554) 2.936 2.890 ( -1.381 2.056 -1.341) 2.816 3.038 ( -1.271 0.412 0.858) 1.588 3.144 ( 0.663 -1.298 -2.224) 2.659 3.195 ( 0.501 -2.094 -0.520) 2.215 3.478 ( 1.042 4.591 0.990) 4.810 3.692 ( 2.514 -0.689 0.002) 2.607 3.736 ( 2.787 -0.421 -0.502) 2.863 3.812 ( -0.727 -0.219 1.965) 2.107 4.188 ( -1.339 -0.193 -2.439) 2.789 4.247 ( -2.944 -0.661 -4.194) 5.167 4.691 ( -2.776 0.315 -3.368) 4.375 4.736 ( -1.955 1.172 -1.832) 2.924 5.029 ( -0.324 2.642 -1.866) 3.250 5.222 ( 0.627 -1.824 -1.556) 2.478 5.301 ( 0.679 0.449 3.067) 3.173 5.367 ( -0.884 -0.614 1.945) 2.222 6.026 ( -0.602 -0.566 0.344) 0.894 6.066 ( -1.006 -0.040 0.718) 1.237 6.559 ( -0.090 0.090 0.479) 0.495 6.562 ( -0.198 0.095 0.582) 0.622 6.599 ( -0.087 -0.041 -0.277) 0.294 6.618 ( -0.269 0.182 -0.711) 0.782 7.101 ( -0.169 0.360 0.517) 0.652 7.123 ( -0.313 0.098 0.776) 0.842 7.177 ( 0.118 0.423 -0.157) 0.467 7.235 ( -0.299 -0.658 -0.698) 1.005 8.284 ( -3.819 1.471 -0.134) 4.095 8.393 ( -3.267 -0.208 0.177) 3.278 12.173 ( 2.730 -0.093 -1.721) 3.229 12.202 ( 2.728 0.218 -1.256) 3.011 12.292 ( 1.314 0.819 1.587) 2.217 12.437 ( -0.576 -1.680 -0.477) 1.839 13.000 ( -2.035 0.042 0.762) 2.174 13.060 ( -3.513 0.253 2.639) 4.401 13.136 ( -0.621 3.704 -0.662) 3.814 13.403 ( -5.814 -2.771 -0.743) 6.483 13.763 ( -2.158 0.165 0.131) 2.168 13.904 ( -1.208 -2.628 0.116) 2.894 ======================= Grid point 12 (9/84) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( -0.169 -0.009 3.510) 3.514 0.612 ( 1.059 0.202 4.324) 4.456 0.647 ( 1.446 0.726 0.721) 1.771 0.656 ( 0.483 0.532 2.266) 2.377 0.748 ( 2.024 -1.069 1.796) 2.909 0.816 ( 0.354 2.103 -1.176) 2.436 0.858 ( -1.172 -2.787 -1.608) 3.425 0.956 ( -0.079 -0.323 -2.727) 2.747 0.980 ( -0.212 -1.768 -0.872) 1.982 1.034 ( 4.512 -0.693 1.021) 4.677 1.090 ( 2.943 -0.599 -0.075) 3.005 1.109 ( 2.586 2.754 -2.340) 4.444 1.168 ( 0.268 9.840 7.574) 12.420 1.292 ( 2.124 -2.907 2.090) 4.163 1.335 ( 0.557 -0.791 1.152) 1.504 1.455 ( -1.974 1.739 -0.387) 2.659 1.530 ( 5.829 1.176 0.728) 5.990 1.670 ( 6.457 -1.567 0.009) 6.644 1.734 ( 3.288 -0.784 -0.446) 3.410 1.765 ( -0.599 -4.260 -2.049) 4.765 1.811 ( -2.071 -0.654 2.204) 3.094 1.854 ( 4.496 -3.733 -1.062) 5.939 1.912 ( 1.656 -1.233 0.398) 2.103 2.016 ( 0.337 -0.200 0.234) 0.457 2.066 ( 0.468 3.170 -1.149) 3.404 2.122 ( -2.493 3.604 2.437) 5.014 2.248 ( 2.204 -0.381 -1.369) 2.622 2.306 ( 2.452 2.105 1.102) 3.414 2.372 ( -0.582 -2.531 3.515) 4.371 2.409 ( 3.447 1.579 0.027) 3.792 2.568 ( -3.013 -6.649 3.100) 7.930 2.585 ( -0.108 -2.335 -3.512) 4.219 2.690 ( -0.575 2.429 1.469) 2.897 2.828 ( 0.892 1.050 -0.678) 1.535 2.866 ( -1.394 0.917 0.900) 1.896 3.011 ( -1.742 -1.630 -0.123) 2.389 3.160 ( 1.774 0.022 0.798) 1.945 3.206 ( 1.204 -0.913 0.277) 1.536 3.507 ( 1.024 3.965 1.169) 4.258 3.681 ( -2.568 -3.333 -0.074) 4.208 3.781 ( 3.576 1.049 -0.566) 3.769 3.846 ( 1.235 2.316 0.937) 2.787 4.124 ( -1.799 -0.217 -3.691) 4.111 4.152 ( -1.924 0.292 -3.517) 4.019 4.614 ( -1.797 0.696 -2.533) 3.183 4.675 ( -2.707 1.698 -2.008) 3.773 5.003 ( -0.275 2.443 -1.259) 2.762 5.204 ( -0.092 -1.627 -1.353) 2.118 5.357 ( 0.841 -0.547 2.883) 3.053 5.378 ( -0.272 -0.668 1.134) 1.344 6.025 ( -0.111 -1.068 0.304) 1.116 6.056 ( -1.332 -0.458 0.552) 1.512 6.563 ( -0.186 -0.157 0.512) 0.567 6.567 ( -0.207 -0.158 0.547) 0.606 6.593 ( -0.143 0.128 -0.180) 0.263 6.606 ( -0.132 0.216 -0.675) 0.721 7.106 ( -0.106 0.367 0.544) 0.665 7.130 ( -0.152 0.119 0.784) 0.808 7.176 ( 0.092 0.226 -0.209) 0.321 7.220 ( -0.308 -0.547 -0.795) 1.013 8.225 ( -3.292 1.568 -0.210) 3.653 8.350 ( -2.735 -0.779 0.227) 2.852 12.184 ( 1.999 0.287 -1.737) 2.664 12.236 ( 2.467 -0.618 0.019) 2.543 12.327 ( 0.981 0.902 1.076) 1.713 12.420 ( -0.871 -0.876 -0.512) 1.338 12.987 ( -1.413 -0.109 1.303) 1.925 13.049 ( -3.022 0.152 3.318) 4.490 13.114 ( -0.488 2.984 -1.240) 3.267 13.294 ( -5.401 -1.201 -2.310) 5.996 13.736 ( -1.654 1.346 0.242) 2.146 13.887 ( -1.078 -1.799 0.063) 2.098 ======================= Grid point 13 (10/84) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 0.097 0.555 2.170) 2.242 0.660 ( 0.142 -0.166 -0.144) 0.262 0.683 ( 0.770 -0.331 2.369) 2.513 0.691 ( 1.121 0.517 1.899) 2.265 0.746 ( -0.795 0.069 -2.295) 2.430 0.819 ( -0.846 -2.905 -1.209) 3.258 0.842 ( 1.248 0.280 2.317) 2.646 0.900 ( -1.168 -1.375 -3.010) 3.509 1.013 ( 2.549 -0.045 1.800) 3.120 1.074 ( -0.002 0.923 -2.616) 2.773 1.106 ( 2.200 1.799 -1.027) 3.022 1.117 ( 0.111 0.310 0.726) 0.798 1.245 ( -0.062 7.656 2.910) 8.191 1.282 ( -1.364 -3.201 0.364) 3.499 1.372 ( 0.839 3.486 -1.590) 3.922 1.463 ( 0.622 0.592 3.013) 3.133 1.609 ( 2.614 -3.710 0.025) 4.538 1.734 ( -0.064 -2.604 0.128) 2.608 1.749 ( 3.492 -1.228 0.041) 3.702 1.765 ( 1.016 -0.048 -0.497) 1.132 1.799 ( -1.849 -0.881 -0.103) 2.051 1.891 ( 1.937 -3.789 -0.850) 4.340 1.948 ( 1.660 -0.790 0.748) 1.984 1.990 ( -1.494 3.499 -0.960) 3.924 2.090 ( 1.387 1.214 1.354) 2.287 2.117 ( -1.385 2.490 0.622) 2.916 2.262 ( 1.383 -3.414 -0.760) 3.761 2.328 ( -0.440 0.670 0.267) 0.845 2.394 ( 0.221 -1.055 1.124) 1.557 2.475 ( 2.236 1.341 1.861) 3.203 2.540 ( -1.599 -4.932 -0.275) 5.192 2.549 ( -0.504 -4.770 -1.945) 5.176 2.703 ( -0.058 3.303 0.815) 3.403 2.821 ( 0.216 3.033 -0.919) 3.177 2.863 ( -0.911 0.025 1.026) 1.372 2.997 ( -0.425 -2.501 0.257) 2.550 3.195 ( 0.895 0.416 0.773) 1.253 3.227 ( 0.629 0.350 0.327) 0.791 3.539 ( 0.792 3.538 1.161) 3.807 3.643 ( -1.601 -3.418 -0.399) 3.796 3.811 ( 1.219 1.550 -0.483) 2.030 3.854 ( -0.231 4.035 -0.344) 4.056 4.070 ( -0.499 -0.778 -1.180) 1.499 4.102 ( -0.347 -0.735 -1.644) 1.834 4.581 ( 0.224 1.678 -0.682) 1.825 4.613 ( -2.115 1.847 -1.145) 3.033 4.989 ( -0.102 2.291 -0.427) 2.333 5.190 ( -0.108 -1.769 -0.482) 1.837 5.386 ( -0.237 -0.446 0.738) 0.894 5.394 ( 0.559 -0.777 0.741) 1.210 6.030 ( 0.489 -1.188 -0.008) 1.284 6.043 ( -1.069 -1.031 0.324) 1.520 6.567 ( -0.088 -0.450 0.259) 0.527 6.569 ( -0.130 -0.533 0.200) 0.584 6.592 ( -0.070 0.434 0.172) 0.472 6.597 ( 0.009 0.390 -0.536) 0.663 7.111 ( -0.030 0.421 0.240) 0.486 7.137 ( -0.027 0.109 0.393) 0.409 7.175 ( 0.030 0.065 -0.103) 0.125 7.208 ( -0.143 -0.450 -0.407) 0.623 8.187 ( -1.292 1.642 -0.090) 2.092 8.322 ( -1.076 -1.146 0.103) 1.575 12.190 ( 0.739 0.418 -0.607) 1.043 12.265 ( 1.034 -1.456 0.075) 1.787 12.349 ( 0.556 1.015 0.386) 1.220 12.401 ( -0.639 -0.230 -0.260) 0.727 12.989 ( -0.379 0.017 0.830) 0.913 13.057 ( -1.326 -0.563 2.607) 2.979 13.094 ( 0.269 2.720 -1.461) 3.099 13.201 ( -2.630 0.167 -1.611) 3.088 13.721 ( -0.592 2.075 0.120) 2.161 13.876 ( -0.429 -1.248 0.014) 1.320 ======================= Grid point 18 (11/84) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 0.000 4.181 0.000) 4.181 0.526 ( 0.000 -0.568 0.000) 0.568 0.542 ( 0.000 3.332 0.000) 3.332 0.592 ( 0.000 -2.254 0.000) 2.254 0.749 ( 0.000 4.451 0.000) 4.451 0.810 ( 0.000 0.896 0.000) 0.896 0.908 ( 0.000 2.457 0.000) 2.457 0.930 ( 0.000 4.132 0.000) 4.132 0.967 ( 0.000 0.381 0.000) 0.381 0.972 ( 0.000 2.391 0.000) 2.391 1.047 ( 0.000 2.622 0.000) 2.622 1.061 ( 0.000 -0.450 0.000) 0.450 1.171 ( 0.000 2.222 0.000) 2.222 1.207 ( 0.000 9.976 0.000) 9.976 1.286 ( 0.000 -4.413 0.000) 4.413 1.402 ( 0.000 5.292 0.000) 5.292 1.419 ( 0.000 -7.827 0.000) 7.827 1.540 ( 0.000 -5.498 0.000) 5.498 1.568 ( 0.000 1.382 0.000) 1.382 1.582 ( 0.000 0.568 0.000) 0.568 1.753 ( 0.000 4.027 0.000) 4.027 1.798 ( 0.000 0.578 0.000) 0.578 1.923 ( 0.000 -3.082 0.000) 3.082 1.926 ( 0.000 -4.072 0.000) 4.072 2.045 ( 0.000 2.173 0.000) 2.173 2.121 ( 0.000 -4.848 0.000) 4.848 2.231 ( 0.000 4.203 0.000) 4.203 2.287 ( 0.000 2.864 0.000) 2.864 2.287 ( 0.000 1.747 0.000) 1.747 2.383 ( 0.000 -2.733 0.000) 2.733 2.405 ( 0.000 -1.134 0.000) 1.134 2.511 ( 0.000 -5.475 0.000) 5.475 2.681 ( 0.000 -1.149 0.000) 1.149 2.687 ( 0.000 -1.330 0.000) 1.330 3.034 ( 0.000 3.685 0.000) 3.685 3.077 ( 0.000 3.123 0.000) 3.123 3.118 ( 0.000 -3.995 0.000) 3.995 3.149 ( 0.000 -3.334 0.000) 3.334 3.578 ( 0.000 6.928 0.000) 6.928 3.648 ( 0.000 1.736 0.000) 1.736 3.650 ( 0.000 -0.826 0.000) 0.826 3.750 ( 0.000 -5.860 0.000) 5.860 4.242 ( 0.000 0.516 0.000) 0.516 4.276 ( 0.000 -2.778 0.000) 2.778 4.796 ( 0.000 0.084 0.000) 0.084 4.802 ( 0.000 -0.432 0.000) 0.432 5.126 ( 0.000 2.188 0.000) 2.188 5.163 ( 0.000 -1.229 0.000) 1.229 5.328 ( 0.000 0.370 0.000) 0.370 5.332 ( 0.000 0.071 0.000) 0.071 6.050 ( 0.000 0.583 0.000) 0.583 6.061 ( 0.000 -0.384 0.000) 0.384 6.558 ( 0.000 0.203 0.000) 0.203 6.559 ( 0.000 0.053 0.000) 0.053 6.616 ( 0.000 0.799 0.000) 0.799 6.632 ( 0.000 -0.630 0.000) 0.630 7.108 ( 0.000 0.416 0.000) 0.416 7.116 ( 0.000 -0.269 0.000) 0.269 7.198 ( 0.000 1.326 0.000) 1.326 7.228 ( 0.000 -1.299 0.000) 1.299 8.401 ( 0.000 2.364 0.000) 2.364 8.445 ( 0.000 -1.601 0.000) 1.601 12.151 ( 0.000 0.448 0.000) 0.448 12.160 ( 0.000 -0.417 0.000) 0.417 12.293 ( 0.000 3.705 0.000) 3.705 12.378 ( 0.000 -3.936 0.000) 3.936 13.055 ( 0.000 1.007 0.000) 1.007 13.076 ( 0.000 -0.888 0.000) 0.888 13.279 ( 0.000 5.656 0.000) 5.656 13.391 ( 0.000 -4.418 0.000) 4.418 13.789 ( 0.000 0.385 0.000) 0.385 13.835 ( 0.000 -3.708 0.000) 3.708 ======================= Grid point 19 (12/84) ======================= q-point: ( 0.11 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 0.839 3.656 4.028) 5.504 0.540 ( -0.291 1.674 2.454) 2.984 0.562 ( 1.564 0.830 1.179) 2.127 0.590 ( -1.803 -1.985 2.142) 3.432 0.715 ( -2.749 5.554 -0.322) 6.205 0.815 ( 0.411 -2.217 -0.793) 2.390 0.894 ( 0.238 2.605 -1.004) 2.802 0.931 ( -0.581 0.689 0.083) 0.905 0.971 ( 0.348 1.084 -0.460) 1.228 0.990 ( 3.218 2.798 -0.096) 4.265 1.035 ( -0.081 -0.665 -1.886) 2.001 1.055 ( 0.226 -1.054 -0.610) 1.239 1.230 ( 1.289 8.172 1.101) 8.346 1.236 ( 6.725 3.987 0.269) 7.822 1.325 ( 3.815 0.034 0.107) 3.817 1.393 ( -0.503 2.416 0.676) 2.559 1.422 ( -0.157 -3.621 1.495) 3.921 1.563 ( 1.638 1.947 -1.250) 2.835 1.570 ( 3.069 -6.073 0.837) 6.856 1.632 ( 2.848 -2.275 1.359) 3.890 1.742 ( 1.962 1.889 -3.094) 4.122 1.798 ( -2.182 -1.351 1.497) 2.971 1.898 ( -0.654 -0.991 -0.341) 1.236 1.945 ( -1.112 -2.424 2.903) 3.942 2.062 ( 1.232 2.183 0.926) 2.672 2.137 ( 0.039 -4.431 1.706) 4.748 2.240 ( 0.188 4.365 0.522) 4.400 2.286 ( -0.040 2.227 0.909) 2.406 2.300 ( 1.691 0.736 -1.107) 2.151 2.385 ( -1.505 -6.894 0.472) 7.073 2.412 ( 2.417 4.599 0.442) 5.214 2.540 ( 2.706 -5.404 0.540) 6.068 2.690 ( 0.301 -0.434 0.914) 1.055 2.704 ( 0.753 -1.370 1.767) 2.359 3.009 ( -2.124 3.704 -1.295) 4.462 3.067 ( -2.037 0.633 0.696) 2.244 3.120 ( 2.206 -2.120 -2.634) 4.037 3.148 ( 1.193 -2.245 -0.849) 2.680 3.572 ( 0.480 5.593 -1.046) 5.710 3.652 ( 1.043 -1.010 -0.505) 1.537 3.687 ( 2.797 1.086 1.223) 3.240 3.752 ( -0.035 -4.221 1.008) 4.340 4.231 ( -0.368 0.720 -1.228) 1.470 4.265 ( -0.239 -2.398 -1.508) 2.843 4.774 ( -0.853 0.385 -2.480) 2.651 4.784 ( -0.506 -0.353 -1.892) 1.990 5.120 ( 0.137 2.775 -1.106) 2.990 5.171 ( 0.884 -1.930 -0.207) 2.133 5.311 ( -1.046 1.291 0.169) 1.670 5.339 ( -1.242 -1.091 1.638) 2.327 6.043 ( -0.859 0.792 0.071) 1.170 6.061 ( -0.622 -0.666 0.500) 1.040 6.559 ( -0.083 0.180 0.269) 0.335 6.561 ( -0.109 0.045 0.285) 0.308 6.613 ( -0.251 0.699 -0.231) 0.777 6.627 ( -0.286 -0.542 -0.398) 0.730 7.108 ( -0.211 0.462 0.346) 0.615 7.117 ( -0.196 -0.295 0.416) 0.547 7.197 ( -0.027 1.225 -0.154) 1.235 7.224 ( -0.133 -1.231 -0.302) 1.274 8.379 ( -2.105 2.358 -0.646) 3.226 8.424 ( -2.225 -1.525 -0.458) 2.736 12.159 ( 1.581 0.558 -0.578) 1.774 12.172 ( 2.036 -0.695 -0.869) 2.321 12.304 ( 0.693 3.347 0.832) 3.518 12.382 ( 0.247 -3.583 0.190) 3.596 13.042 ( -2.036 1.142 0.602) 2.411 13.066 ( -2.276 -0.998 1.265) 2.789 13.267 ( -1.132 5.580 -0.436) 5.710 13.379 ( -2.217 -4.600 0.354) 5.118 13.786 ( -0.699 0.770 0.369) 1.104 13.835 ( -0.372 -3.604 0.414) 3.647 ======================= Grid point 20 (13/84) ======================= q-point: ( 0.22 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( -1.354 1.567 4.624) 5.066 0.580 ( -0.095 1.294 2.179) 2.536 0.610 ( 0.401 -0.011 4.533) 4.551 0.631 ( 2.390 -1.812 3.652) 4.725 0.689 ( -0.189 4.981 0.246) 4.991 0.801 ( -0.388 -4.488 -0.921) 4.598 0.894 ( 0.921 2.628 -1.204) 3.034 0.934 ( 1.449 -0.212 0.215) 1.481 0.955 ( 0.138 -0.473 -1.391) 1.476 0.989 ( -1.719 -2.186 -2.352) 3.642 1.053 ( 4.300 1.738 -0.388) 4.654 1.079 ( 3.221 -0.581 0.357) 3.292 1.249 ( -0.347 4.504 0.618) 4.559 1.313 ( 3.403 0.324 -2.563) 4.272 1.381 ( -2.970 9.507 7.593) 12.524 1.419 ( 4.725 -0.297 -0.227) 4.739 1.489 ( 6.153 -1.158 0.561) 6.286 1.577 ( 3.235 2.037 -2.182) 4.402 1.639 ( 2.006 -5.994 2.795) 6.911 1.672 ( 4.232 -5.573 -3.292) 7.733 1.741 ( 1.377 1.303 -0.695) 2.019 1.788 ( 0.723 -1.819 -0.387) 1.995 1.905 ( -0.919 2.625 2.729) 3.896 1.969 ( -0.482 -1.679 2.576) 3.112 2.092 ( 1.226 0.957 0.306) 1.586 2.154 ( -1.878 -4.189 2.976) 5.471 2.241 ( 0.310 3.648 -0.722) 3.732 2.303 ( -0.168 -0.292 0.825) 0.891 2.312 ( 1.339 0.371 0.067) 1.391 2.368 ( -1.385 -4.559 1.571) 5.017 2.476 ( 3.832 4.362 0.639) 5.841 2.576 ( 2.441 -3.374 -2.035) 4.635 2.715 ( 0.166 1.533 2.335) 2.798 2.755 ( 1.831 -2.238 2.858) 4.065 2.951 ( -2.170 3.338 -2.004) 4.457 3.020 ( -2.735 -2.509 -1.685) 4.076 3.135 ( 2.612 0.840 -0.746) 2.844 3.161 ( 1.329 -1.214 -0.022) 1.800 3.570 ( 0.738 3.798 -0.686) 3.930 3.647 ( -0.622 -3.201 -0.903) 3.384 3.752 ( 3.568 1.776 1.169) 4.153 3.793 ( 2.668 -1.586 1.942) 3.661 4.196 ( -0.717 0.984 -2.926) 3.169 4.224 ( -1.021 -1.364 -3.338) 3.747 4.713 ( -1.343 1.459 -3.830) 4.313 4.740 ( -0.888 -0.779 -2.960) 3.187 5.100 ( -0.431 3.586 -1.482) 3.904 5.171 ( 0.459 -2.849 -1.451) 3.230 5.316 ( -0.445 0.960 2.353) 2.580 5.343 ( -1.067 -1.429 1.979) 2.665 6.029 ( -1.117 0.830 0.171) 1.402 6.053 ( -1.296 -1.065 0.477) 1.744 6.561 ( -0.228 0.104 0.361) 0.439 6.563 ( -0.239 -0.019 0.391) 0.459 6.605 ( -0.291 0.513 -0.220) 0.629 6.616 ( -0.345 -0.388 -0.444) 0.683 7.111 ( -0.281 0.517 0.668) 0.890 7.121 ( -0.246 -0.330 0.704) 0.816 7.193 ( -0.022 0.999 -0.373) 1.067 7.216 ( -0.196 -1.060 -0.568) 1.219 8.328 ( -3.185 2.363 -0.838) 4.054 8.374 ( -3.113 -1.645 -0.693) 3.589 12.179 ( 2.329 0.563 -1.117) 2.644 12.194 ( 2.272 -0.709 -0.871) 2.534 12.331 ( 1.032 2.491 1.021) 2.883 12.389 ( 0.251 -2.647 0.192) 2.666 13.017 ( -2.780 1.264 1.395) 3.358 13.045 ( -3.352 -1.208 2.319) 4.251 13.235 ( -1.876 4.805 -0.831) 5.224 13.330 ( -3.726 -3.877 -0.739) 5.427 13.780 ( -0.890 1.625 0.693) 1.978 13.835 ( -0.518 -3.252 0.620) 3.351 ======================= Grid point 21 (14/84) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( -0.852 0.456 3.740) 3.862 0.611 ( -0.396 -0.219 3.855) 3.881 0.676 ( 0.704 1.206 3.251) 3.538 0.685 ( -0.133 1.883 2.179) 2.883 0.723 ( 2.282 -0.322 0.511) 2.360 0.781 ( -0.584 -3.807 -1.321) 4.071 0.869 ( -0.443 2.383 -2.151) 3.241 0.921 ( -1.439 -2.352 -2.620) 3.804 0.968 ( 2.271 0.548 0.196) 2.345 1.000 ( 4.104 -2.108 1.496) 4.850 1.111 ( 4.132 2.169 -0.130) 4.669 1.144 ( 3.865 -0.069 -0.421) 3.889 1.250 ( -0.076 0.638 0.683) 0.938 1.293 ( -1.114 -2.288 -0.375) 2.572 1.420 ( -5.183 8.380 6.915) 12.037 1.500 ( 2.023 2.498 2.370) 3.994 1.566 ( 5.257 2.116 -3.036) 6.429 1.621 ( 6.463 -1.085 -1.817) 6.800 1.667 ( 0.827 -3.497 0.441) 3.621 1.722 ( 4.381 -5.101 -0.573) 6.748 1.756 ( 1.477 0.569 -0.806) 1.776 1.803 ( 2.222 -2.021 -1.196) 3.233 1.934 ( -0.230 3.173 2.692) 4.168 1.998 ( 0.270 -1.553 2.101) 2.627 2.105 ( -0.333 0.746 0.959) 1.260 2.159 ( -1.452 -3.211 1.387) 3.787 2.238 ( 0.820 2.295 -0.980) 2.627 2.285 ( -1.027 -2.695 -1.071) 3.076 2.352 ( 0.238 0.493 3.596) 3.638 2.392 ( -1.086 -3.073 4.105) 5.241 2.514 ( 2.577 2.319 -2.893) 4.516 2.554 ( 1.265 -1.020 -4.700) 4.974 2.754 ( 0.491 3.241 2.626) 4.200 2.817 ( 1.334 -2.083 2.304) 3.380 2.904 ( -1.403 2.431 -0.829) 2.927 2.962 ( -1.554 -2.707 -1.718) 3.563 3.171 ( 1.780 0.918 1.049) 2.261 3.191 ( 1.549 -0.718 1.131) 2.048 3.576 ( 0.593 2.231 0.087) 2.310 3.620 ( -1.581 -2.254 -0.244) 2.764 3.819 ( 3.314 2.296 0.766) 4.104 3.861 ( 2.766 -0.993 1.448) 3.276 4.132 ( -1.271 0.886 -4.433) 4.696 4.150 ( -1.626 -0.540 -4.396) 4.718 4.649 ( -0.637 2.140 -3.010) 3.748 4.686 ( -1.179 -0.794 -2.738) 3.086 5.074 ( -0.659 3.760 -1.100) 3.973 5.152 ( -0.282 -3.178 -1.394) 3.481 5.349 ( 0.171 0.031 2.542) 2.548 5.360 ( -0.062 -0.855 1.686) 1.891 6.016 ( -0.791 0.348 0.086) 0.868 6.036 ( -1.520 -1.209 0.256) 1.959 6.561 ( -0.331 -0.034 0.252) 0.418 6.562 ( -0.345 -0.163 0.227) 0.444 6.600 ( -0.151 0.390 0.001) 0.418 6.607 ( -0.174 -0.178 -0.304) 0.393 7.117 ( -0.212 0.564 0.749) 0.961 7.128 ( -0.171 -0.364 0.780) 0.877 7.187 ( -0.006 0.742 -0.483) 0.886 7.205 ( -0.173 -0.845 -0.674) 1.095 8.270 ( -2.796 2.415 -0.667) 3.755 8.320 ( -2.635 -1.943 -0.604) 3.329 12.196 ( 1.781 0.784 -1.063) 2.217 12.216 ( 1.763 -1.070 -0.434) 2.108 12.357 ( 0.890 1.677 0.656) 2.009 12.393 ( 0.068 -1.522 0.047) 1.525 13.001 ( -2.047 1.243 1.885) 3.048 13.031 ( -2.807 -1.353 2.761) 4.163 13.193 ( -1.775 3.565 -1.284) 4.184 13.257 ( -3.580 -2.303 -1.621) 4.555 13.778 ( -0.638 2.431 0.676) 2.603 13.836 ( -0.420 -2.739 0.522) 2.820 ======================= Grid point 22 (15/84) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -0.044 0.691 3.683) 3.747 0.657 ( 0.298 -0.265 2.687) 2.717 0.696 ( -0.026 1.568 -0.799) 1.760 0.706 ( 0.419 0.880 -0.089) 0.979 0.732 ( -0.626 -1.167 -0.281) 1.354 0.752 ( -0.401 -2.972 -1.109) 3.197 0.852 ( 0.289 0.867 -0.015) 0.914 0.875 ( -0.543 -1.100 -1.881) 2.245 1.026 ( 2.620 1.548 1.882) 3.578 1.066 ( 1.622 -1.536 0.789) 2.369 1.144 ( -0.207 1.597 -1.569) 2.249 1.158 ( 1.437 1.525 -1.351) 2.493 1.244 ( -0.173 1.409 0.603) 1.542 1.351 ( 4.840 -5.717 1.586) 7.656 1.407 ( -3.347 5.980 2.149) 7.182 1.495 ( -4.870 -1.144 1.764) 5.304 1.613 ( 4.482 7.345 -2.118) 8.861 1.670 ( 1.465 -1.853 0.430) 2.401 1.697 ( 1.500 -3.050 -1.101) 3.573 1.751 ( 1.298 -2.738 -0.093) 3.031 1.779 ( 1.191 0.534 0.363) 1.355 1.816 ( 1.099 -3.134 -0.872) 3.434 1.959 ( 0.247 2.477 0.839) 2.627 2.025 ( 0.423 -1.478 0.762) 1.716 2.118 ( -0.839 0.415 2.611) 2.774 2.144 ( -0.398 -1.564 -1.369) 2.116 2.240 ( 0.835 1.409 -0.690) 1.777 2.260 ( -0.880 -2.003 -0.204) 2.197 2.402 ( -0.074 -0.984 3.235) 3.383 2.425 ( -2.005 -3.369 3.845) 5.492 2.481 ( 1.537 1.969 -5.017) 5.605 2.523 ( 1.069 -0.933 -2.684) 3.036 2.785 ( 0.165 3.988 1.043) 4.125 2.849 ( 0.436 -0.961 0.561) 1.195 2.886 ( -0.654 1.703 0.299) 1.848 2.933 ( -0.337 -2.834 -0.637) 2.924 3.208 ( 0.838 0.797 0.895) 1.463 3.226 ( 0.792 -0.623 0.867) 1.329 3.589 ( 0.368 0.881 0.534) 1.094 3.600 ( -0.863 -0.694 0.059) 1.109 3.861 ( 1.327 2.752 0.100) 3.057 3.901 ( 0.745 -0.154 0.378) 0.850 4.064 ( -0.812 0.467 -2.274) 2.459 4.083 ( -0.664 -0.981 -2.435) 2.707 4.623 ( 0.497 1.754 -0.873) 2.021 4.641 ( -1.084 0.293 -1.262) 1.689 5.056 ( -0.295 3.647 -0.385) 3.679 5.134 ( -0.207 -3.289 -0.523) 3.337 5.376 ( -0.184 -0.283 1.305) 1.348 5.379 ( 0.477 -0.481 0.389) 0.781 6.010 ( 0.052 -0.382 -0.040) 0.388 6.018 ( -1.018 -0.992 0.123) 1.427 6.559 ( -0.162 -0.184 0.084) 0.259 6.560 ( -0.174 -0.251 0.052) 0.310 6.600 ( -0.047 0.273 0.137) 0.309 6.602 ( -0.024 0.057 -0.191) 0.200 7.122 ( -0.075 0.614 0.363) 0.717 7.134 ( -0.056 -0.402 0.394) 0.565 7.181 ( 0.001 0.553 -0.255) 0.609 7.196 ( -0.071 -0.679 -0.352) 0.769 8.234 ( -1.107 2.461 -0.252) 2.710 8.285 ( -1.033 -2.158 -0.237) 2.405 12.204 ( 0.647 0.971 -0.398) 1.233 12.232 ( 0.650 -1.499 -0.135) 1.639 12.373 ( 0.436 1.085 0.220) 1.190 12.392 ( -0.095 -0.646 -0.041) 0.654 13.002 ( -0.625 1.109 1.072) 1.664 13.032 ( -1.080 -1.446 1.511) 2.354 13.157 ( -0.681 2.609 -0.845) 2.825 13.196 ( -1.599 -0.887 -1.033) 2.100 13.778 ( -0.221 2.873 0.277) 2.895 13.836 ( -0.159 -2.358 0.198) 2.371 ======================= Grid point 45 (16/84) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.264 ( 3.823 0.000 12.769) 13.329 0.346 ( -0.968 0.000 15.067) 15.098 0.527 ( -4.841 0.000 21.484) 22.023 0.572 ( -0.825 0.000 1.705) 1.894 0.653 ( 0.310 0.000 -0.098) 0.325 0.675 ( -0.782 0.000 1.954) 2.104 0.805 ( -0.512 0.000 -0.628) 0.810 0.883 ( 0.213 0.000 -0.011) 0.213 0.911 ( 6.357 0.000 -0.313) 6.365 0.975 ( 1.747 0.000 0.542) 1.829 0.999 ( -0.715 0.000 -0.065) 0.718 1.124 ( 0.074 0.000 -1.340) 1.342 1.135 ( -8.989 0.000 5.763) 10.678 1.230 ( -1.378 0.000 2.090) 2.504 1.249 ( -5.316 0.000 1.020) 5.413 1.345 ( 9.710 0.000 2.725) 10.085 1.378 ( 0.448 0.000 -0.815) 0.930 1.498 ( 0.689 0.000 -4.346) 4.400 1.573 ( -0.744 0.000 0.324) 0.811 1.687 ( 1.924 0.000 -1.836) 2.659 1.774 ( 3.066 0.000 1.016) 3.230 1.869 ( -1.380 0.000 0.399) 1.436 1.871 ( -2.736 0.000 4.575) 5.330 2.011 ( 1.447 0.000 -2.897) 3.238 2.053 ( -0.967 0.000 1.879) 2.113 2.107 ( -0.158 0.000 0.936) 0.949 2.145 ( 3.854 0.000 -3.951) 5.520 2.228 ( -2.107 0.000 2.016) 2.917 2.345 ( -2.804 0.000 -0.907) 2.947 2.364 ( -0.341 0.000 0.903) 0.966 2.622 ( 0.200 0.000 -0.599) 0.632 2.625 ( 6.687 0.000 -4.755) 8.205 2.708 ( -1.050 0.000 3.058) 3.234 2.771 ( -1.357 0.000 1.028) 1.702 2.881 ( -0.156 0.000 -1.455) 1.464 3.014 ( 0.325 0.000 1.905) 1.933 3.192 ( 0.430 0.000 -4.479) 4.500 3.209 ( -0.048 0.000 -0.583) 0.585 3.444 ( -2.152 0.000 6.337) 6.693 3.604 ( 0.252 0.000 -0.189) 0.315 3.668 ( -0.018 0.000 0.128) 0.129 3.879 ( -0.246 0.000 -0.031) 0.248 4.226 ( 1.124 0.000 -2.142) 2.419 4.371 ( -0.810 0.000 -3.683) 3.771 4.753 ( 0.195 0.000 -1.056) 1.074 4.777 ( -0.228 0.000 -1.437) 1.455 5.039 ( -2.444 0.000 0.024) 2.444 5.233 ( 0.486 0.000 3.815) 3.846 5.245 ( 1.111 0.000 -3.293) 3.475 5.371 ( -0.290 0.000 2.316) 2.334 6.034 ( 0.606 0.000 0.169) 0.629 6.069 ( 0.221 0.000 0.095) 0.241 6.553 ( 0.081 0.000 0.366) 0.375 6.562 ( -0.073 0.000 0.542) 0.546 6.595 ( 0.197 0.000 0.274) 0.338 6.616 ( -0.001 0.000 -0.402) 0.402 7.102 ( -0.535 0.000 1.020) 1.152 7.143 ( -0.814 0.000 0.416) 0.914 7.170 ( -0.020 0.000 -0.031) 0.037 7.247 ( 0.484 0.000 -1.163) 1.260 8.389 ( -1.889 0.000 0.246) 1.905 8.434 ( 0.888 0.000 -0.359) 0.958 12.129 ( 0.560 0.000 -0.341) 0.656 12.145 ( -2.976 0.000 -1.878) 3.519 12.257 ( -2.722 0.000 3.378) 4.338 12.470 ( 0.304 0.000 -1.019) 1.063 13.038 ( -0.108 0.000 0.577) 0.587 13.072 ( -0.481 0.000 -0.116) 0.495 13.132 ( -0.284 0.000 3.062) 3.075 13.608 ( 1.467 0.000 -4.490) 4.723 13.833 ( -0.794 0.000 0.837) 1.153 13.953 ( 0.979 0.000 -1.235) 1.576 ======================= Grid point 46 (17/84) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 3.406 0.000 8.447) 9.108 0.523 ( 2.070 0.000 8.397) 8.648 0.588 ( 0.472 0.000 1.845) 1.904 0.652 ( -0.328 0.000 -0.098) 0.342 0.700 ( 0.078 0.000 3.233) 3.234 0.782 ( 2.195 0.000 1.213) 2.508 0.797 ( 5.496 0.000 9.081) 10.615 0.911 ( 3.597 0.000 -1.109) 3.764 0.931 ( 1.767 0.000 -1.656) 2.421 0.975 ( -1.003 0.000 -0.788) 1.275 1.025 ( -3.550 0.000 8.536) 9.244 1.087 ( -1.445 0.000 -2.774) 3.127 1.101 ( -0.506 0.000 -1.514) 1.596 1.243 ( -0.737 0.000 5.831) 5.877 1.253 ( -0.321 0.000 4.817) 4.828 1.411 ( 2.020 0.000 -0.753) 2.156 1.468 ( 4.767 0.000 -3.922) 6.173 1.484 ( 3.186 0.000 -0.602) 3.243 1.599 ( 4.768 0.000 0.383) 4.783 1.715 ( 4.272 0.000 -1.094) 4.410 1.816 ( 3.232 0.000 -2.020) 3.811 1.882 ( 2.083 0.000 -1.842) 2.781 1.910 ( -1.926 0.000 6.406) 6.689 1.962 ( -0.179 0.000 -4.117) 4.121 2.073 ( -0.585 0.000 2.361) 2.433 2.098 ( -1.315 0.000 -1.899) 2.310 2.192 ( 5.844 0.000 -0.927) 5.917 2.215 ( -3.149 0.000 2.356) 3.933 2.316 ( -0.810 0.000 2.480) 2.609 2.377 ( 0.395 0.000 1.317) 1.375 2.612 ( 0.903 0.000 -2.926) 3.063 2.644 ( 4.899 0.000 -5.673) 7.496 2.738 ( -1.877 0.000 4.171) 4.574 2.773 ( 0.088 0.000 -0.007) 0.088 2.866 ( -0.135 0.000 -0.103) 0.170 3.055 ( 0.022 0.000 2.940) 2.940 3.137 ( 0.528 0.000 -4.048) 4.082 3.204 ( 0.816 0.000 -1.371) 1.596 3.487 ( -3.744 0.000 7.051) 7.984 3.632 ( 3.389 0.000 -0.032) 3.389 3.687 ( 2.720 0.000 -0.771) 2.828 3.864 ( -1.757 0.000 0.164) 1.765 4.199 ( -0.723 0.000 -2.230) 2.344 4.278 ( -3.233 0.000 -5.307) 6.214 4.728 ( -1.606 0.000 -1.116) 1.956 4.734 ( -2.391 0.000 -2.014) 3.127 5.007 ( -2.094 0.000 0.498) 2.153 5.224 ( 0.933 0.000 -2.411) 2.585 5.300 ( 1.239 0.000 4.045) 4.231 5.388 ( -0.327 0.000 0.970) 1.024 6.046 ( 0.297 0.000 0.537) 0.614 6.068 ( -0.234 0.000 -0.134) 0.270 6.560 ( 0.112 0.000 0.578) 0.589 6.568 ( -0.156 0.000 0.708) 0.725 6.601 ( 0.159 0.000 -0.102) 0.189 6.609 ( -0.122 0.000 -0.615) 0.627 7.108 ( -0.643 0.000 1.200) 1.362 7.138 ( -0.818 0.000 0.846) 1.176 7.170 ( 0.119 0.000 -0.056) 0.131 7.236 ( 0.311 0.000 -1.429) 1.462 8.342 ( -4.460 0.000 0.679) 4.512 8.429 ( -1.159 0.000 -0.008) 1.159 12.124 ( 1.631 0.000 -1.660) 2.327 12.149 ( 2.324 0.000 -0.095) 2.326 12.289 ( 0.078 0.000 3.017) 3.018 12.456 ( -0.019 0.000 -1.412) 1.413 13.040 ( -0.713 0.000 0.733) 1.023 13.057 ( -1.323 0.000 0.099) 1.326 13.157 ( -2.665 0.000 4.028) 4.830 13.512 ( -4.261 0.000 -4.773) 6.398 13.812 ( -3.048 0.000 0.789) 3.149 13.943 ( -0.113 0.000 -1.258) 1.263 ======================= Grid point 47 (18/84) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 2.346 0.000 3.854) 4.512 0.612 ( 0.625 0.000 2.691) 2.762 0.630 ( 1.241 0.000 2.434) 2.733 0.649 ( 0.435 0.000 -0.061) 0.439 0.760 ( 1.349 0.000 3.741) 3.977 0.762 ( -0.021 0.000 -2.095) 2.095 0.906 ( 0.752 0.000 -0.845) 1.131 0.915 ( 1.864 0.000 -3.679) 4.125 0.988 ( 2.892 0.000 -0.576) 2.949 1.005 ( -0.438 0.000 0.880) 0.983 1.026 ( -1.327 0.000 -2.452) 2.788 1.048 ( 4.503 0.000 1.989) 4.922 1.141 ( -1.447 0.000 7.848) 7.980 1.340 ( 0.714 0.000 4.851) 4.903 1.361 ( 4.610 0.000 5.773) 7.388 1.382 ( -0.367 0.000 -0.409) 0.549 1.483 ( 0.250 0.000 -0.751) 0.792 1.561 ( 8.823 0.000 -0.836) 8.862 1.689 ( 5.463 0.000 0.002) 5.463 1.770 ( 3.635 0.000 -1.167) 3.818 1.833 ( -0.616 0.000 -5.976) 6.008 1.837 ( 4.900 0.000 -2.805) 5.646 1.955 ( 2.079 0.000 0.085) 2.080 1.957 ( -2.055 0.000 3.260) 3.854 2.028 ( -1.777 0.000 -2.174) 2.808 2.098 ( -0.330 0.000 2.536) 2.558 2.221 ( -1.495 0.000 3.884) 4.162 2.263 ( 5.142 0.000 -1.620) 5.391 2.369 ( -0.006 0.000 4.998) 4.998 2.417 ( 1.259 0.000 2.628) 2.914 2.581 ( 2.008 0.000 -4.428) 4.862 2.630 ( 3.668 0.000 -5.927) 6.970 2.747 ( -3.370 0.000 3.062) 4.554 2.758 ( 0.198 0.000 -2.821) 2.828 2.877 ( -0.508 0.000 2.274) 2.330 3.048 ( -0.943 0.000 -2.036) 2.244 3.144 ( 1.813 0.000 1.322) 2.244 3.199 ( 1.238 0.000 -1.619) 2.038 3.521 ( -4.444 0.000 7.767) 8.949 3.695 ( 4.583 0.000 -0.113) 4.584 3.714 ( 3.025 0.000 -2.382) 3.851 3.831 ( -2.202 0.000 -0.578) 2.277 4.156 ( -3.617 0.000 -4.226) 5.562 4.156 ( -1.893 0.000 -0.948) 2.118 4.662 ( -3.702 0.000 -1.482) 3.988 4.678 ( -3.154 0.000 -0.792) 3.252 4.988 ( -1.891 0.000 1.213) 2.247 5.209 ( 0.692 0.000 -1.772) 1.902 5.366 ( 1.110 0.000 2.965) 3.167 5.390 ( 0.050 0.000 -0.209) 0.215 6.055 ( 0.002 0.000 0.481) 0.481 6.059 ( -0.348 0.000 -0.563) 0.662 6.570 ( 0.076 0.000 0.585) 0.590 6.576 ( -0.104 0.000 0.724) 0.731 6.597 ( -0.335 0.000 -0.179) 0.379 6.597 ( -0.207 0.000 -0.742) 0.770 7.113 ( -0.738 0.000 1.220) 1.426 7.139 ( -0.494 0.000 0.792) 0.933 7.171 ( 0.159 0.000 -0.072) 0.175 7.220 ( 0.207 0.000 -1.432) 1.447 8.278 ( -5.037 0.000 0.637) 5.077 8.401 ( -2.428 0.000 0.029) 2.428 12.135 ( 2.243 0.000 -1.146) 2.519 12.193 ( 3.364 0.000 0.203) 3.370 12.326 ( -0.033 0.000 2.419) 2.419 12.434 ( -0.321 0.000 -1.449) 1.484 13.035 ( -1.599 0.000 -0.059) 1.600 13.038 ( -0.714 0.000 0.902) 1.150 13.157 ( -4.574 0.000 4.494) 6.412 13.373 ( -5.333 0.000 -5.108) 7.384 13.771 ( -3.674 0.000 1.006) 3.810 13.919 ( -0.707 0.000 -1.324) 1.501 ======================= Grid point 48 (19/84) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 0.109 0.000 -0.139) 0.177 0.663 ( 0.483 0.000 0.370) 0.609 0.666 ( 2.601 0.000 1.227) 2.876 0.677 ( 1.576 0.000 1.017) 1.876 0.727 ( -0.331 0.000 -2.939) 2.958 0.824 ( 1.700 0.000 1.983) 2.612 0.893 ( -2.470 0.000 1.032) 2.677 0.906 ( 1.366 0.000 -1.645) 2.139 0.991 ( 1.455 0.000 -0.778) 1.649 1.016 ( 3.900 0.000 -0.320) 3.913 1.022 ( 2.083 0.000 -1.439) 2.531 1.120 ( 1.640 0.000 0.865) 1.854 1.199 ( -3.123 0.000 5.489) 6.315 1.317 ( -0.754 0.000 -2.347) 2.465 1.403 ( -4.002 0.000 0.944) 4.112 1.465 ( 0.337 0.000 6.134) 6.143 1.571 ( 8.149 0.000 1.756) 8.336 1.677 ( 7.262 0.000 -0.593) 7.286 1.745 ( 3.070 0.000 -3.047) 4.326 1.758 ( 0.032 0.000 -2.172) 2.172 1.779 ( 0.780 0.000 -1.694) 1.865 1.882 ( 3.063 0.000 -2.583) 4.007 1.925 ( 0.630 0.000 -0.939) 1.131 1.996 ( 2.149 0.000 0.791) 2.290 2.032 ( -0.024 0.000 1.665) 1.665 2.125 ( -1.234 0.000 2.958) 3.205 2.263 ( 0.470 0.000 3.314) 3.347 2.307 ( 5.525 0.000 -3.548) 6.566 2.407 ( -2.246 0.000 2.233) 3.167 2.456 ( 0.307 0.000 0.773) 0.832 2.576 ( 3.100 0.000 -2.058) 3.721 2.617 ( 2.616 0.000 -2.758) 3.801 2.712 ( 1.146 0.000 -4.981) 5.112 2.722 ( -3.935 0.000 1.931) 4.384 2.894 ( -1.155 0.000 1.578) 1.956 3.008 ( 0.820 0.000 -3.695) 3.784 3.185 ( 0.821 0.000 1.268) 1.510 3.201 ( 1.590 0.000 -1.263) 2.031 3.554 ( -4.625 0.000 7.198) 8.556 3.709 ( 0.801 0.000 -2.051) 2.202 3.739 ( 2.663 0.000 -3.831) 4.665 3.801 ( -0.336 0.000 0.956) 1.013 4.082 ( -1.023 0.000 -1.273) 1.633 4.132 ( -2.149 0.000 1.936) 2.892 4.596 ( -3.300 0.000 -0.015) 3.300 4.621 ( -3.286 0.000 0.072) 3.287 4.982 ( -1.774 0.000 2.061) 2.720 5.200 ( 0.704 0.000 -1.155) 1.353 5.386 ( 0.487 0.000 -0.982) 1.096 5.404 ( 0.397 0.000 1.043) 1.116 6.046 ( -0.033 0.000 -0.897) 0.898 6.057 ( -0.154 0.000 -0.040) 0.159 6.576 ( 0.024 0.000 0.183) 0.184 6.580 ( 0.134 0.000 -0.720) 0.733 6.588 ( -0.314 0.000 0.618) 0.693 6.589 ( -0.454 0.000 0.067) 0.459 7.116 ( -0.827 0.000 1.026) 1.317 7.141 ( -0.352 0.000 0.315) 0.472 7.173 ( 0.141 0.000 -0.053) 0.151 7.208 ( 0.322 0.000 -0.920) 0.974 8.215 ( -4.205 0.000 0.683) 4.260 8.361 ( -2.319 0.000 -0.429) 2.359 12.159 ( 2.022 0.000 -0.264) 2.039 12.249 ( 3.136 0.000 0.499) 3.175 12.348 ( -0.691 0.000 1.749) 1.881 12.411 ( -0.532 0.000 -1.086) 1.209 13.007 ( -1.285 0.000 -0.883) 1.559 13.046 ( 0.012 0.000 0.951) 0.951 13.140 ( -5.123 0.000 4.321) 6.702 13.233 ( -4.154 0.000 -4.413) 6.061 13.733 ( -3.180 0.000 1.286) 3.430 13.892 ( -0.407 0.000 -1.387) 1.446 ======================= Grid point 49 (20/84) ======================= q-point: ( 0.44 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 0.011 0.000 -2.371) 2.371 0.668 ( -0.078 0.000 0.033) 0.085 0.671 ( -0.507 0.000 -4.420) 4.449 0.681 ( 0.834 0.000 -2.102) 2.261 0.731 ( 2.385 0.000 1.913) 3.057 0.840 ( -0.628 0.000 -1.114) 1.279 0.877 ( -1.899 0.000 1.894) 2.682 0.925 ( 1.105 0.000 2.319) 2.569 1.006 ( 0.350 0.000 -1.636) 1.673 1.059 ( 2.992 0.000 2.302) 3.775 1.090 ( 3.398 0.000 1.151) 3.587 1.120 ( -2.627 0.000 0.134) 2.630 1.199 ( -2.671 0.000 1.475) 3.051 1.289 ( 1.466 0.000 -2.153) 2.605 1.346 ( -3.024 0.000 0.462) 3.059 1.504 ( -3.661 0.000 3.115) 4.806 1.663 ( 1.639 0.000 -0.555) 1.731 1.737 ( 3.327 0.000 -2.475) 4.147 1.751 ( 3.314 0.000 -0.593) 3.366 1.760 ( 0.222 0.000 -2.032) 2.044 1.769 ( 1.092 0.000 0.227) 1.116 1.886 ( 2.264 0.000 -0.505) 2.320 1.943 ( 1.993 0.000 -2.181) 2.955 2.031 ( 0.748 0.000 1.018) 1.263 2.042 ( -0.910 0.000 1.109) 1.434 2.131 ( -2.172 0.000 1.884) 2.875 2.296 ( -0.865 0.000 0.021) 0.865 2.340 ( 4.989 0.000 -3.867) 6.312 2.372 ( -2.654 0.000 0.392) 2.683 2.454 ( -0.295 0.000 -0.613) 0.680 2.597 ( 1.816 0.000 -1.230) 2.193 2.622 ( -0.063 0.000 -0.223) 0.232 2.689 ( 5.259 0.000 -5.176) 7.379 2.691 ( -2.966 0.000 1.643) 3.390 2.880 ( -1.229 0.000 -0.533) 1.340 2.979 ( 2.023 0.000 -3.661) 4.183 3.195 ( -0.437 0.000 -0.104) 0.449 3.214 ( 1.277 0.000 -0.210) 1.294 3.548 ( -5.315 0.000 3.289) 6.251 3.694 ( 1.816 0.000 -5.829) 6.105 3.728 ( 1.215 0.000 3.202) 3.425 3.829 ( 0.360 0.000 1.321) 1.370 4.080 ( 0.560 0.000 0.801) 0.978 4.139 ( -1.837 0.000 3.529) 3.979 4.572 ( -1.269 0.000 1.712) 2.131 4.594 ( -1.389 0.000 1.425) 1.990 4.989 ( -1.714 0.000 3.065) 3.511 5.202 ( 0.895 0.000 -0.306) 0.946 5.378 ( 0.767 0.000 -1.588) 1.764 5.404 ( -0.461 0.000 -1.044) 1.141 6.036 ( 0.512 0.000 -1.047) 1.166 6.050 ( -0.082 0.000 -0.759) 0.764 6.568 ( 0.068 0.000 -1.026) 1.029 6.573 ( -0.109 0.000 -0.496) 0.508 6.589 ( -0.205 0.000 0.614) 0.647 6.597 ( -0.091 0.000 0.906) 0.910 7.115 ( -0.844 0.000 0.624) 1.050 7.134 ( -0.322 0.000 -0.464) 0.565 7.175 ( 0.073 0.000 0.063) 0.096 7.208 ( 0.618 0.000 -0.070) 0.621 8.176 ( -2.015 0.000 0.775) 2.159 8.326 ( -0.735 0.000 -1.145) 1.360 12.187 ( 1.160 0.000 0.805) 1.412 12.291 ( 1.013 0.000 0.549) 1.152 12.350 ( -1.368 0.000 0.939) 1.660 12.394 ( 0.162 0.000 -0.633) 0.654 12.977 ( -0.292 0.000 -1.676) 1.701 13.044 ( -0.841 0.000 -1.315) 1.561 13.120 ( -4.173 0.000 3.335) 5.342 13.168 ( 1.199 0.000 -0.681) 1.379 13.712 ( -1.982 0.000 1.404) 2.429 13.875 ( 0.649 0.000 -1.326) 1.476 ======================= Grid point 50 (21/84) ======================= q-point: (-0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 0.520 0.000 -3.102) 3.146 0.596 ( -0.839 0.000 -5.303) 5.369 0.655 ( -0.665 0.000 -1.831) 1.949 0.656 ( -0.899 0.000 -1.046) 1.379 0.790 ( 1.492 0.000 2.280) 2.725 0.794 ( -3.048 0.000 -1.202) 3.277 0.886 ( 0.353 0.000 1.248) 1.297 0.983 ( 2.545 0.000 1.490) 2.949 0.985 ( -0.611 0.000 -0.060) 0.614 1.024 ( -5.267 0.000 -4.965) 7.239 1.110 ( -1.496 0.000 2.644) 3.038 1.121 ( -1.961 0.000 -0.828) 2.128 1.157 ( -4.472 0.000 3.308) 5.563 1.321 ( 4.751 0.000 -0.325) 4.762 1.366 ( 2.212 0.000 2.090) 3.043 1.437 ( -7.236 0.000 -0.022) 7.236 1.605 ( -5.648 0.000 -2.581) 6.210 1.725 ( -0.649 0.000 -3.234) 3.299 1.765 ( 0.113 0.000 -1.235) 1.240 1.772 ( 0.357 0.000 -0.004) 0.357 1.795 ( 4.545 0.000 -0.203) 4.549 1.917 ( -0.670 0.000 -2.731) 2.812 1.944 ( 4.445 0.000 1.024) 4.561 2.036 ( -1.985 0.000 1.483) 2.478 2.041 ( -1.716 0.000 1.351) 2.184 2.111 ( -1.957 0.000 0.168) 1.965 2.230 ( -4.901 0.000 -0.782) 4.963 2.342 ( 1.784 0.000 -4.164) 4.530 2.353 ( -1.669 0.000 -0.164) 1.677 2.437 ( -1.470 0.000 0.293) 1.499 2.592 ( 1.602 0.000 -3.277) 3.647 2.611 ( 0.662 0.000 -1.830) 1.946 2.681 ( -1.218 0.000 1.533) 1.958 2.728 ( 6.989 0.000 -3.727) 7.921 2.859 ( -0.312 0.000 -0.357) 0.474 2.981 ( 2.582 0.000 -1.525) 2.999 3.177 ( -1.051 0.000 -0.229) 1.076 3.231 ( 0.522 0.000 0.563) 0.768 3.498 ( -5.235 0.000 1.634) 5.484 3.670 ( 3.906 0.000 -3.996) 5.588 3.795 ( 0.598 0.000 3.067) 3.125 3.829 ( -1.737 0.000 0.179) 1.746 4.119 ( 1.808 0.000 2.965) 3.473 4.162 ( -0.893 0.000 2.855) 2.992 4.602 ( 1.307 0.000 2.714) 3.012 4.617 ( 1.105 0.000 2.133) 2.403 5.010 ( -1.784 0.000 4.082) 4.455 5.219 ( 0.978 0.000 0.738) 1.225 5.365 ( -1.286 0.000 -2.709) 2.999 5.366 ( 0.899 0.000 -2.247) 2.420 6.034 ( 1.012 0.000 -1.048) 1.457 6.037 ( 0.210 0.000 -1.267) 1.284 6.558 ( 0.168 0.000 -0.792) 0.810 6.564 ( -0.087 0.000 -0.597) 0.603 6.596 ( 0.000 0.000 0.674) 0.674 6.607 ( -0.043 0.000 0.689) 0.690 7.108 ( -0.733 0.000 0.263) 0.778 7.122 ( -0.163 0.000 -0.702) 0.720 7.176 ( -0.074 0.000 0.188) 0.202 7.221 ( 0.813 0.000 0.233) 0.846 8.177 ( 0.696 0.000 0.834) 1.087 8.314 ( 1.609 0.000 -1.602) 2.271 12.214 ( -0.110 0.000 2.220) 2.223 12.282 ( -2.265 0.000 -0.135) 2.269 12.333 ( -1.743 0.000 0.115) 1.747 12.407 ( 1.882 0.000 -0.010) 1.882 12.961 ( 1.227 0.000 -1.695) 2.092 13.008 ( -0.078 0.000 -1.898) 1.900 13.104 ( -2.449 0.000 1.997) 3.160 13.230 ( 5.375 0.000 0.927) 5.454 13.712 ( -0.391 0.000 1.398) 1.452 13.878 ( 1.862 0.000 -1.195) 2.212 ======================= Grid point 51 (22/84) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( -2.333 0.000 -4.314) 4.904 0.548 ( -1.338 0.000 -2.342) 2.697 0.610 ( -1.053 0.000 -2.574) 2.781 0.618 ( -1.733 0.000 -0.871) 1.939 0.729 ( -3.221 0.000 -0.844) 3.330 0.814 ( -3.197 0.000 -0.978) 3.343 0.856 ( -4.520 0.000 -3.617) 5.789 0.921 ( 2.461 0.000 0.353) 2.486 0.979 ( 0.307 0.000 -0.119) 0.329 1.048 ( 1.961 0.000 1.911) 2.738 1.052 ( -4.990 0.000 -1.819) 5.311 1.090 ( -4.298 0.000 1.932) 4.712 1.123 ( -5.421 0.000 0.868) 5.490 1.295 ( -6.373 0.000 -1.913) 6.654 1.403 ( -4.959 0.000 3.472) 6.054 1.417 ( 3.559 0.000 1.754) 3.967 1.493 ( -1.725 0.000 -0.634) 1.838 1.656 ( -2.570 0.000 -3.031) 3.974 1.721 ( -3.995 0.000 -2.252) 4.586 1.723 ( -0.953 0.000 -3.726) 3.846 1.865 ( -2.879 0.000 -1.100) 3.082 1.897 ( 6.170 0.000 1.030) 6.255 1.974 ( -1.652 0.000 -1.075) 1.971 2.015 ( -2.421 0.000 0.170) 2.427 2.070 ( 2.284 0.000 2.976) 3.752 2.092 ( -1.095 0.000 0.590) 1.244 2.172 ( -2.623 0.000 2.146) 3.389 2.288 ( -1.284 0.000 -3.950) 4.154 2.314 ( -2.471 0.000 -0.044) 2.472 2.415 ( -2.577 0.000 0.778) 2.692 2.575 ( 3.052 0.000 -3.995) 5.027 2.596 ( 2.205 0.000 -3.783) 4.379 2.690 ( -0.317 0.000 1.477) 1.511 2.786 ( 5.393 0.000 -2.385) 5.897 2.866 ( 0.487 0.000 0.962) 1.078 3.001 ( 1.840 0.000 -1.251) 2.225 3.179 ( 0.153 0.000 2.131) 2.136 3.245 ( 0.282 0.000 0.845) 0.891 3.435 ( -4.665 0.000 0.346) 4.678 3.704 ( 4.417 0.000 -1.185) 4.573 3.785 ( -3.070 0.000 -0.870) 3.191 3.800 ( -2.742 0.000 0.466) 2.781 4.186 ( 0.652 0.000 1.209) 1.374 4.216 ( 4.308 0.000 4.191) 6.010 4.671 ( 2.431 0.000 1.526) 2.870 4.672 ( 3.009 0.000 2.517) 3.923 5.040 ( -1.995 0.000 4.633) 5.045 5.250 ( 0.838 0.000 1.801) 1.987 5.299 ( -1.904 0.000 -3.480) 3.967 5.346 ( 0.916 0.000 -3.015) 3.151 6.025 ( 0.577 0.000 -1.313) 1.434 6.039 ( 1.279 0.000 -0.876) 1.550 6.553 ( 0.233 0.000 -0.429) 0.488 6.555 ( -0.047 0.000 -0.526) 0.528 6.607 ( 0.164 0.000 0.693) 0.712 6.614 ( 0.033 0.000 0.391) 0.392 7.101 ( -0.565 0.000 0.187) 0.595 7.113 ( 0.029 0.000 -0.440) 0.440 7.177 ( -0.231 0.000 0.195) 0.303 7.236 ( 0.860 0.000 0.049) 0.862 8.215 ( 2.672 0.000 0.856) 2.806 8.333 ( 3.480 0.000 -1.572) 3.818 12.233 ( -3.170 0.000 -0.631) 3.232 12.242 ( -1.626 0.000 3.785) 4.120 12.306 ( -1.385 0.000 -0.125) 1.391 12.438 ( 1.858 0.000 0.134) 1.863 12.973 ( 2.625 0.000 -0.891) 2.772 12.999 ( 1.243 0.000 -1.036) 1.618 13.098 ( -0.923 0.000 0.806) 1.225 13.330 ( 6.839 0.000 -0.360) 6.848 13.736 ( 1.195 0.000 1.356) 1.808 13.898 ( 2.658 0.000 -1.118) 2.883 ======================= Grid point 52 (23/84) ======================= q-point: (-0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( -9.005 0.000 -0.970) 9.058 0.419 ( -10.221 0.000 -2.105) 10.435 0.580 ( -2.777 0.000 -0.015) 2.777 0.610 ( 2.509 0.000 -0.475) 2.553 0.683 ( -3.713 0.000 -2.758) 4.626 0.685 ( -1.842 0.000 -0.207) 1.854 0.819 ( -18.602 0.000 -2.170) 18.729 0.836 ( -2.156 0.000 1.190) 2.463 0.969 ( 1.116 0.000 0.136) 1.124 0.976 ( -2.009 0.000 -0.162) 2.016 1.014 ( -4.267 0.000 0.739) 4.330 1.079 ( 0.868 0.000 -1.012) 1.333 1.113 ( 1.512 0.000 1.392) 2.055 1.213 ( -2.112 0.000 -0.014) 2.112 1.356 ( -5.990 0.000 4.165) 7.295 1.465 ( -0.405 0.000 0.538) 0.673 1.529 ( 1.689 0.000 2.566) 3.072 1.586 ( -2.715 0.000 -0.918) 2.866 1.613 ( -4.699 0.000 -3.241) 5.709 1.668 ( 1.958 0.000 -4.409) 4.824 1.798 ( -4.610 0.000 -0.183) 4.613 1.919 ( -3.400 0.000 -0.534) 3.441 1.951 ( 1.041 0.000 -1.541) 1.860 2.022 ( 2.520 0.000 1.069) 2.738 2.084 ( -1.385 0.000 0.397) 1.441 2.095 ( -0.162 0.000 0.088) 0.184 2.216 ( -0.150 0.000 3.569) 3.572 2.218 ( -1.052 0.000 -3.581) 3.732 2.310 ( 0.443 0.000 3.165) 3.196 2.383 ( -2.320 0.000 0.296) 2.339 2.581 ( 3.385 0.000 -4.848) 5.913 2.588 ( 3.859 0.000 -2.080) 4.384 2.707 ( -0.308 0.000 1.860) 1.886 2.812 ( 1.591 0.000 -1.914) 2.490 2.888 ( 0.551 0.000 0.789) 0.962 3.002 ( 0.576 0.000 -0.899) 1.067 3.226 ( 1.249 0.000 1.889) 2.265 3.261 ( 0.491 0.000 0.404) 0.636 3.379 ( -2.970 0.000 0.821) 3.081 3.697 ( -4.680 0.000 0.000) 4.680 3.745 ( -4.000 0.000 -0.245) 4.007 3.785 ( 4.772 0.000 -0.493) 4.798 4.211 ( 1.844 0.000 -0.416) 1.890 4.330 ( 4.211 0.000 2.420) 4.857 4.721 ( 2.449 0.000 0.325) 2.470 4.746 ( 3.139 0.000 1.238) 3.374 5.067 ( -2.221 0.000 4.096) 4.659 5.227 ( -1.811 0.000 -2.543) 3.122 5.289 ( 0.720 0.000 1.989) 2.116 5.317 ( 0.763 0.000 -2.994) 3.090 6.021 ( 0.812 0.000 -0.955) 1.253 6.049 ( 1.191 0.000 -0.511) 1.296 6.550 ( 0.013 0.000 -0.274) 0.275 6.553 ( 0.187 0.000 -0.054) 0.195 6.618 ( 0.158 0.000 0.215) 0.267 6.618 ( 0.205 0.000 0.327) 0.386 7.097 ( -0.446 0.000 0.391) 0.593 7.112 ( 0.061 0.000 0.232) 0.240 7.175 ( -0.289 0.000 0.113) 0.311 7.247 ( 0.794 0.000 -0.338) 0.863 8.272 ( 2.891 0.000 1.223) 3.139 8.372 ( 3.944 0.000 -1.225) 4.130 12.179 ( -2.644 0.000 -0.693) 2.733 12.243 ( -2.649 0.000 1.144) 2.886 12.320 ( -0.108 0.000 4.461) 4.462 12.462 ( 1.271 0.000 -0.126) 1.278 13.011 ( 1.392 0.000 -0.436) 1.458 13.014 ( 3.080 0.000 0.333) 3.097 13.096 ( -0.082 0.000 0.078) 0.113 13.411 ( 5.866 0.000 -2.136) 6.243 13.778 ( 1.957 0.000 1.099) 2.245 13.925 ( 2.715 0.000 -1.135) 2.943 ======================= Grid point 53 (24/84) ======================= q-point: (-0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.253 ( -13.058 0.000 5.137) 14.032 0.264 ( -12.049 0.000 8.669) 14.843 0.460 ( -20.126 0.000 10.926) 22.901 0.586 ( -4.128 0.000 1.419) 4.365 0.643 ( 1.122 0.000 0.631) 1.287 0.666 ( -0.581 0.000 0.332) 0.669 0.686 ( -1.039 0.000 9.798) 9.853 0.823 ( -1.353 0.000 0.530) 1.453 0.911 ( -3.884 0.000 0.048) 3.884 0.974 ( -0.355 0.000 -0.130) 0.378 1.001 ( -0.061 0.000 0.170) 0.181 1.110 ( 3.645 0.000 0.164) 3.648 1.131 ( 0.401 0.000 -0.380) 0.553 1.216 ( -0.015 0.000 1.461) 1.461 1.312 ( -5.788 0.000 2.121) 6.165 1.422 ( -4.195 0.000 -0.093) 4.196 1.481 ( -5.439 0.000 -7.792) 9.502 1.545 ( -0.383 0.000 -2.755) 2.782 1.581 ( -0.717 0.000 1.837) 1.972 1.679 ( 4.792 0.000 -3.113) 5.714 1.740 ( -3.045 0.000 1.539) 3.412 1.875 ( -3.155 0.000 1.661) 3.566 1.944 ( 0.306 0.000 -2.591) 2.609 2.031 ( -2.086 0.000 -3.559) 4.125 2.058 ( 0.205 0.000 -0.376) 0.428 2.097 ( -0.176 0.000 0.754) 0.774 2.168 ( 1.038 0.000 -4.218) 4.344 2.231 ( -1.808 0.000 2.089) 2.763 2.362 ( -1.112 0.000 0.690) 1.309 2.367 ( -0.339 0.000 2.399) 2.423 2.584 ( 6.116 0.000 -4.992) 7.895 2.626 ( 3.372 0.000 -1.704) 3.778 2.718 ( -1.493 0.000 0.371) 1.538 2.792 ( -1.485 0.000 -0.520) 1.573 2.896 ( 0.158 0.000 -0.464) 0.491 3.000 ( -0.112 0.000 0.250) 0.274 3.233 ( 0.904 0.000 -3.027) 3.159 3.251 ( -0.682 0.000 -3.084) 3.158 3.390 ( -1.163 0.000 5.047) 5.180 3.631 ( -3.154 0.000 -0.317) 3.170 3.689 ( -2.852 0.000 0.029) 2.852 3.854 ( 3.433 0.000 0.833) 3.533 4.225 ( 1.978 0.000 -1.880) 2.729 4.391 ( 2.055 0.000 -0.668) 2.161 4.750 ( 1.603 0.000 -0.614) 1.717 4.786 ( 1.495 0.000 -0.996) 1.796 5.070 ( -2.301 0.000 1.331) 2.658 5.197 ( -0.733 0.000 1.373) 1.556 5.276 ( 1.122 0.000 -3.909) 4.067 5.337 ( 0.051 0.000 3.036) 3.037 6.024 ( 0.809 0.000 -0.399) 0.902 6.060 ( 0.789 0.000 -0.079) 0.793 6.549 ( 0.059 0.000 0.073) 0.094 6.556 ( 0.064 0.000 0.274) 0.282 6.614 ( -0.681 0.000 -1.413) 1.568 6.619 ( 0.100 0.000 -0.160) 0.189 7.098 ( -0.441 0.000 0.722) 0.846 7.128 ( 0.713 0.000 1.617) 1.767 7.172 ( -0.199 0.000 0.023) 0.201 7.251 ( 0.657 0.000 -0.764) 1.008 8.341 ( 2.868 0.000 3.718) 4.696 8.412 ( 2.883 0.000 -0.792) 2.990 12.141 ( -1.270 0.000 -0.546) 1.382 12.215 ( -1.717 0.000 -0.180) 1.727 12.364 ( -1.379 0.000 -3.128) 3.418 12.473 ( 0.710 0.000 -0.541) 0.892 13.026 ( 0.851 0.000 0.187) 0.871 13.063 ( 1.707 0.000 0.802) 1.886 13.100 ( 0.322 0.000 0.736) 0.804 13.485 ( 6.120 0.000 5.016) 7.913 13.815 ( 1.231 0.000 0.654) 1.394 13.946 ( 2.061 0.000 -1.197) 2.383 ======================= Grid point 54 (25/84) ======================= q-point: ( 0.00 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( -0.976 7.111 8.214) 10.908 0.426 ( 3.507 9.642 5.388) 11.589 0.565 ( -1.171 0.181 3.941) 4.115 0.661 ( -0.193 -0.253 2.494) 2.514 0.673 ( 0.771 2.066 0.163) 2.211 0.695 ( -3.431 7.079 7.379) 10.786 0.823 ( 0.361 1.390 1.755) 2.268 0.852 ( 0.281 1.658 0.981) 1.947 0.941 ( 4.210 1.150 -0.924) 4.461 0.978 ( -0.103 -0.729 -0.246) 0.777 0.990 ( 1.178 1.168 1.031) 1.953 1.050 ( -2.187 1.902 4.547) 5.392 1.113 ( -0.028 -0.802 -1.536) 1.733 1.231 ( -4.778 -1.004 2.575) 5.520 1.319 ( -1.280 0.029 0.918) 1.575 1.363 ( -0.634 -0.702 -0.648) 1.146 1.464 ( 0.066 5.297 -0.824) 5.361 1.520 ( -0.037 0.938 -1.679) 1.924 1.564 ( 1.570 1.267 1.695) 2.635 1.639 ( 4.142 -5.675 -2.344) 7.407 1.718 ( 0.760 -2.668 -0.056) 2.775 1.862 ( -2.640 0.738 3.853) 4.729 1.919 ( -0.243 3.225 1.323) 3.494 1.977 ( 0.027 -4.847 -3.672) 6.081 2.036 ( 1.450 0.169 0.913) 1.722 2.127 ( 2.026 -0.666 -2.875) 3.579 2.188 ( -0.533 5.624 0.964) 5.731 2.251 ( -2.034 2.113 2.369) 3.770 2.308 ( -1.571 -2.150 2.184) 3.444 2.378 ( -1.038 0.281 -0.274) 1.110 2.528 ( 4.228 -5.697 -1.261) 7.205 2.616 ( -0.400 -1.628 1.478) 2.235 2.713 ( 0.771 -0.954 -0.031) 1.227 2.756 ( -1.047 -1.716 2.090) 2.900 2.928 ( 0.093 3.551 -2.548) 4.372 3.028 ( 0.436 1.085 1.134) 1.629 3.170 ( 0.684 -2.287 -3.539) 4.269 3.192 ( -0.827 -1.627 -0.963) 2.064 3.470 ( -1.650 2.744 3.420) 4.685 3.617 ( 0.592 1.098 -0.109) 1.252 3.664 ( 0.184 -0.291 0.194) 0.395 3.844 ( 0.285 -2.955 0.051) 2.969 4.220 ( 0.847 -0.324 -2.084) 2.272 4.327 ( -0.597 -3.484 -2.945) 4.601 4.768 ( -0.255 -0.046 -2.776) 2.788 4.776 ( 0.185 0.023 -2.241) 2.249 5.062 ( -1.225 1.983 -0.385) 2.363 5.192 ( 1.212 -1.989 -0.424) 2.367 5.289 ( -0.292 2.166 0.722) 2.302 5.378 ( -0.340 0.139 2.268) 2.297 6.038 ( 0.071 0.423 0.073) 0.435 6.070 ( 0.463 0.071 0.288) 0.550 6.556 ( 0.080 0.254 0.357) 0.446 6.563 ( -0.034 0.066 0.496) 0.502 6.600 ( -0.130 0.508 0.077) 0.530 6.626 ( 0.180 0.290 -0.994) 1.051 7.104 ( -0.215 0.221 0.719) 0.783 7.133 ( -0.401 -0.474 0.848) 1.051 7.178 ( -0.209 0.660 0.091) 0.698 7.240 ( 0.357 -0.584 -0.982) 1.197 8.367 ( -0.930 0.235 0.885) 1.305 8.454 ( 0.446 0.029 -1.158) 1.241 12.137 ( -0.026 0.427 -0.499) 0.658 12.149 ( -1.144 0.487 -1.241) 1.756 12.264 ( -1.184 0.898 2.804) 3.173 12.443 ( 0.370 -2.362 -0.832) 2.531 13.044 ( -0.625 0.883 0.803) 1.347 13.123 ( -0.759 -0.567 2.990) 3.136 13.141 ( 0.585 4.897 -1.215) 5.079 13.509 ( 0.732 -5.694 0.152) 5.743 13.812 ( -0.619 -1.278 0.841) 1.650 13.916 ( 0.759 -3.182 -0.743) 3.355 ======================= Grid point 55 (26/84) ======================= q-point: ( 0.11 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 2.590 1.691 7.657) 8.258 0.545 ( 2.203 3.639 5.293) 6.791 0.598 ( 0.379 0.820 2.188) 2.367 0.660 ( -1.003 0.871 0.806) 1.554 0.685 ( -0.553 -0.307 3.430) 3.488 0.816 ( 2.609 1.657 1.310) 3.357 0.821 ( 1.529 1.631 1.580) 2.738 0.911 ( 4.482 0.689 1.651) 4.826 0.940 ( 0.838 -0.000 -1.040) 1.336 0.962 ( -0.802 -0.042 -0.289) 0.853 1.049 ( -0.530 -2.348 -1.591) 2.886 1.067 ( -1.456 0.648 1.111) 1.943 1.105 ( 4.682 2.265 -0.247) 5.207 1.208 ( -1.467 1.004 2.601) 3.150 1.336 ( -3.262 3.372 6.886) 8.332 1.392 ( 5.864 -2.347 -0.781) 6.364 1.468 ( 2.638 2.258 -2.661) 4.375 1.514 ( -0.080 -0.271 1.017) 1.055 1.623 ( 2.502 2.395 0.784) 3.552 1.681 ( 6.314 -4.001 -3.172) 8.120 1.741 ( 2.673 -4.866 -1.600) 5.778 1.869 ( -1.102 -1.076 0.406) 1.593 1.909 ( -0.523 -1.409 -2.640) 3.038 1.966 ( 0.635 2.474 3.522) 4.350 2.057 ( -0.047 -0.354 0.389) 0.528 2.159 ( 4.413 -1.150 -0.693) 4.613 2.194 ( -1.164 6.119 1.167) 6.337 2.248 ( -2.137 2.423 2.348) 3.994 2.321 ( 0.676 -0.228 2.252) 2.362 2.375 ( 0.019 -0.202 0.926) 0.948 2.557 ( 2.319 -4.072 -3.035) 5.583 2.643 ( -0.114 -1.868 2.729) 3.309 2.713 ( -0.267 -1.196 -0.485) 1.319 2.773 ( 0.217 -0.366 1.355) 1.420 2.895 ( -0.398 2.462 -1.240) 2.785 3.058 ( -0.317 0.393 1.903) 1.969 3.113 ( 0.641 -2.232 -4.099) 4.711 3.185 ( 0.481 -1.678 -0.751) 1.900 3.498 ( -1.417 1.600 4.273) 4.778 3.646 ( 2.782 0.918 0.315) 2.946 3.687 ( 2.633 0.071 -0.516) 2.684 3.839 ( -0.910 -2.353 0.167) 2.529 4.191 ( -0.818 -0.523 -2.437) 2.624 4.256 ( -2.019 -1.773 -4.465) 5.211 4.708 ( -2.256 -0.785 -2.994) 3.830 4.744 ( -0.660 -0.111 -2.081) 2.185 5.038 ( -1.609 2.524 0.100) 2.995 5.196 ( 1.312 -2.000 -1.819) 3.005 5.317 ( 0.141 1.166 3.257) 3.462 5.391 ( -0.773 -0.076 1.164) 1.400 6.037 ( -0.501 -0.197 0.281) 0.607 6.077 ( -0.030 0.231 0.179) 0.294 6.563 ( 0.029 0.176 0.528) 0.558 6.569 ( -0.141 0.030 0.622) 0.638 6.599 ( -0.131 0.149 -0.011) 0.198 6.616 ( -0.049 0.268 -0.808) 0.853 7.110 ( -0.408 0.257 0.964) 1.078 7.136 ( -0.534 -0.163 0.873) 1.037 7.176 ( -0.083 0.534 -0.091) 0.548 7.230 ( 0.192 -0.522 -1.222) 1.342 8.342 ( -3.401 0.414 0.536) 3.468 8.430 ( -1.630 -0.332 -0.758) 1.828 12.129 ( 1.280 0.552 -1.146) 1.805 12.157 ( 2.250 0.495 -0.448) 2.347 12.294 ( 0.149 0.666 2.584) 2.672 12.435 ( 0.195 -1.885 -1.131) 2.207 13.036 ( -1.848 0.830 1.136) 2.322 13.123 ( -1.458 3.905 0.792) 4.243 13.150 ( -1.803 0.012 2.593) 3.159 13.463 ( -3.248 -3.889 -3.193) 5.989 13.802 ( -2.224 -0.620 0.974) 2.506 13.911 ( -0.044 -2.726 -0.775) 2.834 ======================= Grid point 56 (27/84) ======================= q-point: ( 0.22 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 0.988 0.642 2.978) 3.203 0.623 ( 0.977 1.526 3.180) 3.660 0.630 ( 0.968 0.498 1.122) 1.563 0.668 ( 0.010 1.290 1.577) 2.038 0.738 ( 1.014 -0.660 2.584) 2.853 0.803 ( 0.396 2.256 -0.936) 2.475 0.864 ( -0.050 -2.831 -0.763) 2.932 0.934 ( 0.946 0.730 -1.955) 2.291 0.961 ( 1.393 -1.558 -1.321) 2.473 0.994 ( 0.629 -2.092 -0.358) 2.214 1.038 ( 4.218 -0.298 1.174) 4.389 1.056 ( 1.387 2.358 -1.285) 3.022 1.196 ( 2.453 3.813 3.765) 5.893 1.264 ( 3.433 -2.243 2.784) 4.957 1.368 ( -1.953 2.554 3.300) 4.607 1.458 ( 1.892 -1.283 0.204) 2.295 1.498 ( 1.451 4.548 2.172) 5.245 1.554 ( 5.404 -1.977 0.432) 5.770 1.673 ( 4.065 -0.426 -0.421) 4.109 1.720 ( 4.426 -7.545 -6.316) 10.789 1.754 ( 4.080 -1.318 -0.639) 4.335 1.838 ( 0.027 -0.942 -2.034) 2.241 1.912 ( -0.081 -0.109 2.160) 2.165 2.017 ( 0.422 0.357 1.720) 1.807 2.051 ( -0.035 3.457 -0.415) 3.482 2.179 ( -2.795 4.916 1.771) 5.926 2.208 ( 3.100 -2.914 -1.198) 4.420 2.273 ( 1.542 3.884 2.079) 4.668 2.385 ( 0.735 0.399 2.713) 2.839 2.392 ( 0.801 -1.880 2.739) 3.417 2.525 ( 1.996 -2.486 -6.056) 6.843 2.659 ( -3.568 -4.519 3.221) 6.597 2.705 ( 0.597 1.725 -0.307) 1.851 2.784 ( 1.547 1.344 -2.221) 3.022 2.895 ( -0.756 1.369 2.066) 2.591 3.023 ( -1.116 -2.123 -2.729) 3.633 3.135 ( 2.257 -0.508 1.338) 2.673 3.188 ( 1.304 -0.793 -0.532) 1.616 3.536 ( -1.850 1.369 5.086) 5.582 3.687 ( 1.427 -1.660 -0.853) 2.349 3.720 ( 3.476 1.419 -0.810) 3.841 3.833 ( 0.666 -0.099 -0.496) 0.836 4.134 ( -2.324 -0.828 -2.589) 3.576 4.166 ( -2.434 -0.131 -2.979) 3.849 4.635 ( -2.785 -0.706 -1.759) 3.369 4.700 ( -2.023 0.333 -1.494) 2.537 5.018 ( -1.792 2.475 0.769) 3.151 5.188 ( 0.846 -1.763 -1.791) 2.652 5.363 ( 0.505 -0.036 2.433) 2.485 5.391 ( -0.439 -0.158 0.651) 0.801 6.031 ( -0.547 -0.765 0.145) 0.951 6.073 ( -0.581 0.023 -0.086) 0.588 6.569 ( -0.119 -0.068 0.451) 0.472 6.573 ( -0.198 -0.187 0.428) 0.508 6.596 ( -0.256 0.189 0.046) 0.322 6.604 ( -0.170 0.284 -0.657) 0.735 7.116 ( -0.519 0.262 0.943) 1.108 7.140 ( -0.412 -0.000 0.798) 0.898 7.174 ( 0.027 0.296 -0.139) 0.328 7.216 ( 0.088 -0.414 -1.182) 1.256 8.287 ( -4.466 0.886 0.458) 4.576 8.390 ( -2.519 -1.007 -0.404) 2.743 12.142 ( 2.065 0.641 -0.896) 2.341 12.195 ( 2.964 -0.022 0.095) 2.966 12.328 ( 0.235 0.364 1.954) 2.001 12.420 ( -0.007 -1.219 -1.218) 1.724 13.022 ( -2.084 0.650 1.300) 2.541 13.109 ( -1.017 4.221 -0.170) 4.345 13.145 ( -4.314 -1.057 3.936) 5.935 13.350 ( -4.599 -1.936 -4.299) 6.587 13.776 ( -2.799 0.502 1.047) 3.031 13.896 ( -0.456 -2.017 -0.915) 2.261 ======================= Grid point 57 (28/84) ======================= q-point: ( 0.33 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 0.387 0.747 0.006) 0.842 0.653 ( 0.794 0.112 0.228) 0.834 0.682 ( 1.531 0.671 1.715) 2.395 0.684 ( 0.416 0.501 0.625) 0.903 0.735 ( -0.417 0.453 -2.816) 2.883 0.833 ( 1.584 0.311 1.401) 2.137 0.846 ( -1.870 -2.815 1.530) 3.710 0.897 ( -0.965 -1.124 -2.461) 2.872 0.978 ( 3.065 -0.060 1.032) 3.234 1.031 ( 2.916 0.749 -1.452) 3.342 1.067 ( 2.447 2.739 -0.871) 3.775 1.104 ( 2.351 -0.915 0.958) 2.698 1.255 ( 0.370 3.584 1.488) 3.898 1.307 ( -0.497 -2.378 0.578) 2.498 1.364 ( -2.120 1.651 -0.691) 2.775 1.508 ( 1.489 0.443 5.053) 5.286 1.560 ( 2.192 0.509 2.038) 3.036 1.656 ( 7.466 -2.423 -1.593) 8.009 1.692 ( 3.317 -4.382 -4.168) 6.898 1.728 ( 2.774 -0.329 -0.006) 2.794 1.807 ( 0.811 0.380 -1.529) 1.772 1.836 ( 3.996 -3.524 -0.180) 5.331 1.942 ( 0.312 0.490 1.957) 2.041 2.001 ( -1.003 2.379 -1.421) 2.947 2.074 ( 1.405 2.766 0.800) 3.204 2.153 ( -2.693 0.548 0.190) 2.755 2.233 ( 2.037 -2.534 -0.270) 3.262 2.322 ( 2.074 3.335 0.285) 3.938 2.382 ( -0.638 -2.159 -0.462) 2.299 2.472 ( 2.274 -3.867 -0.106) 4.487 2.485 ( 1.620 0.922 -0.800) 2.029 2.626 ( -4.780 -5.455 2.210) 7.583 2.719 ( -0.461 3.159 1.236) 3.423 2.771 ( 3.161 3.420 -4.177) 6.256 2.900 ( -2.096 0.784 1.369) 2.623 2.985 ( 0.696 -2.101 -2.579) 3.398 3.181 ( 1.678 0.047 0.888) 1.899 3.209 ( 1.732 0.369 -0.249) 1.788 3.572 ( -2.272 1.303 4.825) 5.490 3.658 ( -1.394 -2.578 -2.232) 3.683 3.767 ( 3.390 1.729 -0.795) 3.888 3.838 ( 1.699 2.209 -1.597) 3.212 4.074 ( -1.262 -0.505 -1.082) 1.737 4.122 ( -2.174 -0.841 1.453) 2.747 4.591 ( -1.671 0.456 0.344) 1.766 4.649 ( -2.909 1.224 -0.345) 3.175 5.006 ( -1.642 2.111 1.512) 3.072 5.179 ( 0.766 -1.826 -1.242) 2.337 5.379 ( 0.395 -0.287 -0.618) 0.787 5.403 ( -0.158 -0.306 1.208) 1.256 6.025 ( -0.082 -1.032 -0.309) 1.081 6.059 ( -0.882 -0.463 -0.264) 1.031 6.570 ( -0.208 -0.389 0.032) 0.442 6.572 ( -0.204 -0.487 -0.146) 0.547 6.594 ( -0.169 0.428 -0.095) 0.470 6.597 ( -0.150 0.374 0.258) 0.479 7.118 ( -0.559 0.190 0.569) 0.820 7.143 ( -0.313 0.009 0.275) 0.416 7.173 ( 0.050 0.164 0.015) 0.172 7.205 ( 0.159 -0.276 -0.616) 0.694 8.229 ( -3.826 1.271 0.580) 4.073 8.348 ( -2.300 -1.208 -0.370) 2.625 12.166 ( 1.863 0.625 -0.164) 1.972 12.242 ( 2.420 -0.730 0.562) 2.590 12.350 ( -0.074 0.313 1.203) 1.245 12.404 ( -0.175 -0.584 -1.009) 1.179 13.007 ( -1.609 0.630 0.526) 1.806 13.088 ( -0.620 2.715 -1.140) 3.009 13.129 ( -4.684 -0.730 4.286) 6.391 13.231 ( -3.526 -0.267 -3.557) 5.015 13.749 ( -2.428 1.397 1.026) 2.983 13.877 ( -0.222 -1.335 -1.078) 1.730 ======================= Grid point 58 (29/84) ======================= q-point: ( 0.44 0.20 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -0.211 0.159 -3.138) 3.149 0.658 ( 0.130 -0.594 -0.885) 1.074 0.674 ( -0.724 0.324 -3.407) 3.499 0.685 ( 0.463 0.567 -1.740) 1.888 0.737 ( 1.939 0.075 1.846) 2.678 0.836 ( -1.436 -2.741 0.737) 3.181 0.846 ( -0.692 0.160 -0.039) 0.711 0.900 ( 1.074 -1.357 2.541) 3.074 1.021 ( -0.117 1.061 -2.241) 2.482 1.059 ( 3.487 -0.115 2.285) 4.170 1.102 ( 1.486 1.551 0.699) 2.259 1.141 ( 0.072 0.528 1.615) 1.701 1.232 ( -1.458 3.535 -3.005) 4.863 1.284 ( -2.605 -3.375 -0.262) 4.271 1.353 ( 2.901 4.429 -0.156) 5.297 1.531 ( -6.148 1.095 1.734) 6.481 1.614 ( 2.550 -3.900 0.804) 4.728 1.685 ( 3.851 -3.228 -4.094) 6.482 1.744 ( 3.238 -1.129 -0.179) 3.434 1.763 ( 1.722 0.316 -0.250) 1.769 1.780 ( -0.178 -0.100 -1.510) 1.524 1.891 ( 2.174 -2.985 0.300) 3.705 1.968 ( 1.526 4.547 -0.229) 4.802 1.980 ( -1.652 -1.062 1.419) 2.423 2.091 ( -0.356 -1.159 -2.023) 2.358 2.108 ( -0.449 0.957 -0.581) 1.206 2.267 ( 1.696 -2.484 0.889) 3.136 2.333 ( -0.213 1.954 -0.276) 1.985 2.366 ( 0.363 -1.792 -1.633) 2.452 2.458 ( 2.324 -2.981 -3.948) 5.466 2.531 ( -0.901 0.683 2.639) 2.871 2.597 ( -2.688 -4.077 2.501) 5.486 2.710 ( -1.101 2.424 -0.169) 2.667 2.777 ( 3.540 4.282 -3.384) 6.505 2.876 ( -1.690 0.619 0.272) 1.820 2.971 ( 1.471 -1.219 -2.182) 2.900 3.199 ( -0.115 0.290 -0.322) 0.448 3.223 ( 0.757 0.523 -0.407) 1.006 3.574 ( -3.176 1.800 1.554) 3.967 3.621 ( 0.585 -2.957 -1.859) 3.542 3.801 ( 2.217 2.943 0.188) 3.689 3.847 ( 0.967 1.831 -0.397) 2.108 4.072 ( 0.333 -0.415 1.500) 1.591 4.133 ( -1.637 -0.669 4.036) 4.407 4.595 ( -0.133 1.948 2.018) 2.808 4.616 ( -1.714 1.699 1.432) 2.807 5.009 ( -1.390 1.735 2.353) 3.237 5.182 ( 1.011 -1.824 -0.262) 2.102 5.369 ( 0.443 -0.457 -1.853) 1.959 5.402 ( -0.692 -0.323 -0.431) 0.877 6.023 ( 0.698 -0.946 -0.674) 1.355 6.041 ( -0.778 -0.856 -0.517) 1.267 6.564 ( -0.053 -0.322 -0.543) 0.634 6.567 ( -0.064 -0.451 -0.335) 0.566 6.592 ( -0.147 0.285 0.215) 0.386 6.602 ( -0.062 0.238 0.562) 0.614 7.114 ( -0.490 0.033 -0.004) 0.491 7.137 ( -0.252 -0.012 -0.472) 0.535 7.176 ( -0.025 0.232 0.317) 0.393 7.206 ( 0.384 -0.230 0.153) 0.473 8.194 ( -1.804 1.594 0.792) 2.534 8.317 ( -0.759 -0.893 -0.611) 1.322 12.192 ( 1.012 0.475 0.791) 1.369 12.274 ( 0.370 -1.405 0.740) 1.631 12.357 ( -0.509 0.609 0.465) 0.920 12.392 ( 0.324 -0.196 -0.684) 0.782 12.984 ( -0.841 0.627 -1.154) 1.559 13.049 ( -1.620 -0.046 -2.136) 2.681 13.127 ( -2.334 1.048 3.159) 4.065 13.178 ( 0.637 0.661 -0.487) 1.039 13.732 ( -1.533 1.736 0.890) 2.481 13.864 ( 0.538 -1.029 -1.156) 1.639 ======================= Grid point 59 (30/84) ======================= q-point: (-0.44 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 0.187 -0.592 -3.776) 3.827 0.594 ( -0.797 -0.222 -4.949) 5.017 0.652 ( -0.481 -0.053 -1.260) 1.349 0.659 ( -0.850 0.473 -1.657) 1.922 0.771 ( -1.541 -0.957 0.256) 1.832 0.817 ( 1.078 0.388 0.005) 1.146 0.863 ( -0.366 -1.033 2.369) 2.610 0.951 ( 1.897 -1.717 1.463) 2.948 0.993 ( -1.025 0.411 0.018) 1.105 1.073 ( -1.665 0.250 -3.307) 3.711 1.122 ( -1.318 2.982 -0.326) 3.277 1.133 ( -2.320 1.506 0.367) 2.790 1.174 ( -2.296 2.008 0.520) 3.094 1.289 ( 2.785 -2.454 1.442) 3.982 1.384 ( -6.273 -1.292 -2.310) 6.808 1.425 ( 1.179 1.581 -0.164) 1.979 1.620 ( -4.567 1.538 1.228) 4.973 1.695 ( 4.754 -5.166 -4.878) 8.549 1.719 ( -0.412 -1.195 -2.579) 2.872 1.765 ( -0.174 0.032 0.153) 0.234 1.794 ( -0.596 0.221 -0.094) 0.643 1.894 ( -0.599 -1.951 -1.252) 2.394 1.963 ( -3.822 -3.323 1.812) 5.378 2.010 ( 3.475 3.914 1.117) 5.352 2.040 ( -0.131 -3.084 -2.712) 4.108 2.111 ( -0.506 2.846 0.219) 2.899 2.292 ( -0.957 0.121 1.329) 1.642 2.324 ( -0.435 1.609 -0.321) 1.698 2.344 ( -0.725 -1.713 -1.572) 2.435 2.441 ( 0.298 -2.258 -1.459) 2.705 2.524 ( -1.076 -0.458 -0.901) 1.476 2.600 ( 0.074 -1.700 0.376) 1.743 2.691 ( -1.068 1.948 -0.178) 2.229 2.786 ( 3.553 2.546 -3.125) 5.373 2.867 ( -0.473 1.106 0.775) 1.431 2.977 ( 2.168 -0.676 -0.888) 2.439 3.178 ( -1.294 0.054 -0.607) 1.430 3.221 ( -0.623 -0.752 -0.028) 0.977 3.540 ( -2.974 2.947 0.733) 4.250 3.628 ( 3.326 -2.422 -1.413) 4.351 3.822 ( -1.150 0.795 0.333) 1.437 3.849 ( 0.228 2.078 -0.781) 2.231 4.123 ( 1.692 0.629 3.948) 4.341 4.167 ( -0.704 0.351 3.650) 3.734 4.619 ( -0.070 1.814 2.836) 3.368 4.653 ( 1.894 2.308 2.477) 3.879 5.026 ( -1.205 1.489 3.205) 3.734 5.203 ( 1.103 -1.613 0.914) 2.158 5.343 ( 0.072 -0.894 -2.975) 3.107 5.374 ( -0.854 -0.195 -1.714) 1.925 6.023 ( -0.210 -0.802 -0.678) 1.071 6.030 ( 1.288 -0.658 -0.912) 1.710 6.557 ( 0.153 -0.080 -0.569) 0.595 6.561 ( 0.051 -0.200 -0.458) 0.503 6.595 ( -0.063 0.002 0.419) 0.423 6.609 ( 0.072 0.046 0.491) 0.498 7.105 ( -0.296 -0.075 -0.339) 0.456 7.126 ( -0.132 0.035 -0.646) 0.661 7.180 ( -0.162 0.366 0.430) 0.587 7.218 ( 0.573 -0.338 0.371) 0.762 8.198 ( 0.721 1.837 0.987) 2.207 8.312 ( 1.489 -0.308 -0.881) 1.757 12.216 ( -0.273 0.153 1.964) 1.989 12.269 ( -1.781 -1.087 0.341) 2.115 12.342 ( -1.523 0.793 -0.316) 1.746 12.402 ( 1.521 -0.475 -0.212) 1.607 12.961 ( 0.507 0.212 -1.461) 1.561 13.007 ( 0.257 -0.315 -2.196) 2.234 13.129 ( -1.363 2.087 1.732) 3.036 13.228 ( 4.542 -0.234 0.812) 4.620 13.728 ( -0.374 1.439 0.797) 1.687 13.864 ( 1.411 -1.291 -1.165) 2.240 ======================= Grid point 60 (31/84) ======================= q-point: (-0.33 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -1.354 -0.056 -4.461) 4.663 0.547 ( 0.177 -0.106 -2.507) 2.516 0.602 ( -1.903 -0.138 -2.716) 3.319 0.634 ( -1.051 0.950 -0.547) 1.518 0.709 ( -3.962 -1.314 -1.640) 4.485 0.847 ( 0.127 1.330 1.604) 2.087 0.886 ( -0.234 -1.272 0.679) 1.461 0.947 ( -1.821 5.405 -5.779) 8.119 0.981 ( 0.025 -0.289 -0.271) 0.397 1.007 ( -2.556 -1.882 0.282) 3.187 1.061 ( -1.120 2.081 -0.495) 2.415 1.108 ( -3.493 0.759 1.279) 3.796 1.139 ( -5.380 0.705 -0.205) 5.430 1.236 ( -3.113 -2.166 -1.863) 4.226 1.366 ( 0.896 -1.094 3.211) 3.509 1.477 ( 1.729 0.968 1.217) 2.325 1.536 ( -6.790 3.999 0.989) 7.941 1.635 ( -0.903 -1.285 -4.437) 4.706 1.700 ( -0.182 -2.716 -5.615) 6.240 1.737 ( -3.231 -0.195 -0.386) 3.260 1.806 ( 1.635 -3.350 2.518) 4.499 1.868 ( -0.906 -1.340 -0.040) 1.618 1.927 ( -2.861 -2.869 1.076) 4.192 2.010 ( -0.334 -3.051 -1.643) 3.482 2.072 ( 1.169 3.205 -1.365) 3.675 2.103 ( 0.457 0.756 1.824) 2.026 2.274 ( -1.714 2.980 -0.194) 3.443 2.298 ( -1.966 1.845 -1.573) 3.122 2.308 ( -3.097 -0.003 1.396) 3.397 2.424 ( -2.521 0.736 0.613) 2.697 2.499 ( 1.792 -4.909 -2.745) 5.903 2.608 ( 2.131 0.747 -1.373) 2.643 2.678 ( -0.722 0.347 0.337) 0.869 2.794 ( 1.947 -0.474 -2.742) 3.396 2.882 ( 0.650 1.526 1.393) 2.166 3.006 ( 2.287 0.106 -0.583) 2.363 3.164 ( -0.571 -0.863 1.362) 1.710 3.211 ( -0.948 -1.876 0.561) 2.176 3.505 ( -2.437 4.556 0.178) 5.170 3.678 ( 3.957 -2.014 0.048) 4.440 3.781 ( -3.368 -0.009 -0.637) 3.428 3.819 ( -2.279 0.903 -1.495) 2.871 4.190 ( 0.355 0.534 2.147) 2.241 4.227 ( 3.047 0.662 3.630) 4.786 4.674 ( 2.042 1.415 2.987) 3.885 4.714 ( 2.331 2.151 1.684) 3.591 5.054 ( -1.137 1.435 3.624) 4.060 5.233 ( 0.505 -1.683 1.239) 2.150 5.295 ( -0.829 -0.075 -2.686) 2.812 5.342 ( 0.337 -0.461 -2.487) 2.551 6.015 ( 0.411 -0.518 -0.661) 0.935 6.040 ( 1.526 -0.201 -0.897) 1.782 6.554 ( 0.211 0.070 -0.377) 0.438 6.556 ( 0.087 0.070 -0.452) 0.465 6.600 ( 0.010 -0.208 0.451) 0.496 6.617 ( 0.334 0.012 0.385) 0.510 7.098 ( -0.081 -0.061 -0.281) 0.298 7.118 ( 0.002 0.085 -0.397) 0.406 7.181 ( -0.287 0.487 0.360) 0.671 7.231 ( 0.658 -0.489 0.166) 0.836 8.238 ( 2.563 1.980 1.094) 3.418 8.337 ( 3.346 0.214 -0.999) 3.498 12.225 ( -2.740 -0.329 1.240) 3.026 12.246 ( -1.451 -0.256 1.863) 2.375 12.309 ( -1.848 0.695 -0.763) 2.117 12.423 ( 1.430 -1.313 -0.116) 1.945 12.966 ( 1.824 -0.103 -0.549) 1.908 13.002 ( 2.187 -0.195 -1.467) 2.641 13.135 ( -0.072 3.061 0.736) 3.149 13.314 ( 5.881 -1.372 -0.206) 6.042 13.742 ( 0.804 0.602 0.844) 1.312 13.875 ( 2.001 -1.988 -1.120) 3.035 ======================= Grid point 61 (32/84) ======================= q-point: (-0.22 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( -3.620 3.344 -2.698) 5.619 0.456 ( -7.194 3.403 -2.223) 8.263 0.569 ( -0.019 -1.162 -0.823) 1.424 0.613 ( -0.890 0.723 0.051) 1.148 0.648 ( -1.746 -1.867 -0.290) 2.573 0.805 ( -3.175 9.313 -3.718) 10.518 0.860 ( -1.221 1.655 0.878) 2.236 0.868 ( -7.232 1.853 0.399) 7.477 0.963 ( 1.346 0.856 -0.625) 1.713 0.987 ( -0.419 0.184 -0.181) 0.492 1.031 ( -5.028 0.602 -0.660) 5.107 1.060 ( -3.131 0.993 -0.025) 3.285 1.105 ( 1.404 -0.886 1.148) 2.019 1.220 ( 0.585 1.666 0.883) 1.975 1.357 ( -7.855 0.358 3.788) 8.728 1.477 ( -2.579 -0.005 0.796) 2.699 1.511 ( 0.181 -1.599 1.471) 2.180 1.581 ( -0.741 -0.141 -1.920) 2.063 1.609 ( -0.401 -1.291 -5.419) 5.585 1.681 ( -2.794 -0.416 -1.412) 3.158 1.799 ( -4.345 0.363 0.857) 4.444 1.883 ( -2.459 -3.392 1.947) 4.620 1.934 ( 2.739 -1.870 0.805) 3.413 1.987 ( 1.202 -4.004 -2.505) 4.873 2.029 ( -2.567 1.841 -0.506) 3.199 2.146 ( 1.898 0.031 -0.463) 1.954 2.243 ( -1.209 2.180 -1.858) 3.109 2.258 ( -1.609 1.457 1.405) 2.585 2.285 ( -3.505 1.075 2.567) 4.476 2.392 ( -1.552 0.592 0.291) 1.687 2.500 ( 1.901 -5.155 -2.115) 5.887 2.628 ( 1.626 0.927 -0.491) 1.935 2.677 ( 0.003 -1.112 0.380) 1.175 2.770 ( -0.241 -3.284 -2.170) 3.944 2.917 ( 1.551 2.253 0.871) 2.870 3.019 ( 0.936 1.179 -0.919) 1.764 3.195 ( 0.478 -2.287 2.419) 3.363 3.205 ( -0.504 -2.270 0.065) 2.326 3.474 ( -1.718 5.721 0.124) 5.974 3.693 ( -3.843 -0.440 0.119) 3.870 3.741 ( -3.044 -0.635 0.053) 3.110 3.775 ( 2.893 -0.991 -1.422) 3.373 4.214 ( 1.236 0.359 -0.077) 1.289 4.310 ( 2.569 -1.645 1.849) 3.567 4.744 ( 2.906 1.321 1.275) 3.437 4.762 ( 1.922 1.312 0.702) 2.430 5.081 ( -1.170 1.413 2.830) 3.372 5.212 ( -1.179 -1.262 -2.317) 2.890 5.296 ( 0.436 0.418 2.413) 2.488 5.318 ( 0.913 0.060 -2.596) 2.753 6.019 ( 0.969 0.017 -0.368) 1.036 6.051 ( 1.163 -0.016 -0.645) 1.330 6.552 ( 0.083 0.170 -0.242) 0.308 6.554 ( 0.179 0.127 -0.117) 0.249 6.605 ( -0.093 -0.189 0.286) 0.356 6.628 ( 0.588 0.030 0.151) 0.608 7.096 ( 0.042 0.039 0.002) 0.057 7.116 ( 0.048 0.086 0.148) 0.177 7.181 ( -0.336 0.594 0.249) 0.727 7.240 ( 0.639 -0.588 -0.203) 0.892 8.296 ( 2.825 1.990 1.186) 3.653 8.382 ( 4.105 0.518 -0.888) 4.231 12.184 ( -2.666 0.419 -0.186) 2.705 12.259 ( -2.159 0.669 2.424) 3.314 12.271 ( -2.190 -2.124 0.477) 3.088 12.439 ( 0.972 -2.054 -0.250) 2.286 12.996 ( 2.000 0.020 0.426) 2.045 13.031 ( 3.061 0.011 -0.338) 3.079 13.145 ( 0.659 3.949 0.059) 4.004 13.388 ( 5.092 -2.016 -1.328) 5.636 13.771 ( 1.432 -0.433 0.838) 1.715 13.892 ( 2.056 -2.748 -0.999) 3.575 ======================= Grid point 62 (33/84) ======================= q-point: (-0.11 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( -2.611 11.721 1.685) 12.126 0.374 ( -4.572 6.858 3.098) 8.806 0.548 ( -3.404 1.229 2.584) 4.447 0.616 ( -0.208 -0.202 1.557) 1.584 0.648 ( 1.138 1.215 0.584) 1.764 0.736 ( -5.246 7.905 2.323) 9.767 0.786 ( -4.669 8.010 3.664) 9.969 0.854 ( -0.717 2.391 0.351) 2.520 0.924 ( -2.910 2.134 -0.962) 3.735 0.981 ( -0.014 0.501 0.165) 0.528 0.996 ( -0.786 -0.681 0.345) 1.096 1.036 ( -0.731 -0.065 0.686) 1.005 1.125 ( 0.256 -0.728 -0.316) 0.834 1.268 ( 0.510 1.631 2.261) 2.834 1.287 ( -4.339 -0.655 3.039) 5.338 1.411 ( -4.824 -1.101 -0.652) 4.991 1.537 ( -1.463 0.402 -1.687) 2.269 1.546 ( -0.087 0.376 -2.227) 2.260 1.557 ( -1.862 -1.060 0.760) 2.273 1.625 ( 1.025 -4.415 -3.483) 5.716 1.740 ( -3.678 0.252 0.274) 3.697 1.863 ( -3.590 -0.784 2.964) 4.721 1.937 ( -2.464 1.607 -0.053) 2.943 1.984 ( 1.698 -3.849 -1.088) 4.345 2.021 ( 1.791 -0.980 -1.370) 2.459 2.147 ( 1.132 0.345 -2.376) 2.654 2.201 ( -1.354 4.132 -1.135) 4.494 2.257 ( -2.003 2.063 1.369) 3.184 2.287 ( -1.791 -3.427 4.362) 5.829 2.390 ( -0.387 0.123 0.737) 0.842 2.499 ( 3.023 -4.704 -3.025) 6.358 2.623 ( -1.855 -2.482 0.426) 3.128 2.693 ( 1.488 -0.064 0.141) 1.496 2.751 ( -0.592 -3.327 0.401) 3.403 2.940 ( 1.286 3.091 -0.853) 3.454 3.019 ( 0.301 1.310 -0.266) 1.370 3.188 ( -0.151 -2.073 -1.349) 2.478 3.220 ( -0.243 -2.456 -0.024) 2.468 3.461 ( -1.392 4.788 1.498) 5.206 3.636 ( -2.576 0.500 -0.358) 2.648 3.685 ( -2.868 -0.525 -0.154) 2.920 3.822 ( 2.624 -2.623 0.123) 3.712 4.224 ( 1.555 0.018 -1.550) 2.196 4.346 ( 1.099 -3.509 -0.578) 3.722 4.781 ( 1.928 1.102 -1.252) 2.549 4.788 ( 1.339 0.043 -0.875) 1.600 5.083 ( -1.261 1.435 0.299) 1.934 5.183 ( -0.106 -1.048 -0.233) 1.079 5.299 ( 0.602 1.373 -1.982) 2.485 5.341 ( 0.307 0.201 3.136) 3.158 6.031 ( 0.869 0.531 -0.103) 1.024 6.059 ( 0.735 -0.062 -0.131) 0.749 6.552 ( 0.094 0.236 0.062) 0.262 6.557 ( 0.093 0.082 0.216) 0.249 6.604 ( -0.362 0.212 0.074) 0.427 6.634 ( 0.517 0.053 -0.751) 0.913 7.098 ( 0.001 0.151 0.336) 0.368 7.124 ( 0.015 -0.238 0.859) 0.891 7.179 ( -0.260 0.675 0.248) 0.764 7.244 ( 0.528 -0.614 -0.607) 1.012 8.347 ( 1.496 1.319 1.346) 2.406 8.433 ( 3.668 0.372 -0.667) 3.747 12.149 ( -1.315 0.664 -0.362) 1.517 12.216 ( -3.180 -0.958 -1.578) 3.677 12.263 ( -3.381 -1.624 2.959) 4.777 12.446 ( 0.543 -2.448 -0.540) 2.565 13.029 ( 1.157 0.589 0.731) 1.490 13.080 ( 2.247 -0.279 1.350) 2.636 13.151 ( 0.801 4.478 -1.107) 4.682 13.447 ( 3.563 -2.743 1.533) 4.751 13.800 ( 0.897 -1.108 0.634) 1.560 13.908 ( 1.575 -3.201 -0.829) 3.663 ======================= Grid point 63 (34/84) ======================= q-point: ( 0.00 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 0.344 3.739 3.732) 5.294 0.551 ( 0.790 1.134 2.310) 2.692 0.578 ( -0.897 1.863 3.399) 3.978 0.627 ( -0.043 -2.239 3.122) 3.842 0.746 ( -0.440 4.089 -0.255) 4.120 0.805 ( -0.464 0.033 -0.239) 0.523 0.893 ( -0.658 2.910 -1.085) 3.174 0.938 ( 0.336 0.759 -2.026) 2.190 0.950 ( -0.275 5.575 1.319) 5.736 0.978 ( -0.285 1.779 0.010) 1.801 1.020 ( -0.066 0.953 -0.842) 1.273 1.057 ( -0.333 -1.854 -0.790) 2.043 1.130 ( 2.214 2.614 -2.073) 4.004 1.252 ( -1.078 -2.817 -1.212) 3.250 1.285 ( 0.049 2.710 1.612) 3.154 1.396 ( 1.776 2.627 -0.602) 3.228 1.443 ( -0.791 -7.575 0.987) 7.680 1.484 ( 3.352 -4.793 -3.574) 6.854 1.540 ( 0.458 3.400 -1.225) 3.643 1.613 ( 1.886 -1.936 1.686) 3.186 1.723 ( -1.127 4.324 0.319) 4.479 1.835 ( -0.896 -5.454 -0.944) 5.607 1.930 ( -2.133 3.488 4.130) 5.812 1.980 ( -1.204 0.583 2.483) 2.820 2.045 ( 1.448 2.005 0.227) 2.484 2.114 ( 2.299 -1.994 0.083) 3.045 2.268 ( -0.237 0.938 1.367) 1.675 2.283 ( 0.165 1.119 0.427) 1.209 2.327 ( -3.482 2.405 3.867) 5.732 2.396 ( -1.122 -0.861 -0.746) 1.599 2.410 ( 0.576 0.239 2.919) 2.985 2.545 ( -2.157 -5.748 3.504) 7.069 2.682 ( 0.894 -0.373 0.010) 0.969 2.708 ( 0.613 -2.220 1.785) 2.914 3.004 ( 0.955 3.385 -2.901) 4.559 3.054 ( 2.657 0.333 -1.690) 3.167 3.112 ( -2.452 -1.631 -1.134) 3.156 3.142 ( -1.160 -2.643 -0.449) 2.921 3.571 ( -1.121 5.692 -0.212) 5.805 3.637 ( 0.250 -0.096 -0.652) 0.705 3.663 ( 1.176 1.025 0.868) 1.785 3.749 ( 1.010 -5.573 -0.012) 5.663 4.221 ( 0.392 0.634 -1.988) 2.123 4.255 ( -0.024 -2.588 -2.087) 3.324 4.763 ( -0.235 -0.074 -3.166) 3.176 4.768 ( 0.333 -0.527 -3.086) 3.149 5.110 ( 0.204 2.155 -0.973) 2.374 5.152 ( 0.979 -1.795 -1.096) 2.320 5.333 ( -0.978 1.883 1.525) 2.613 5.367 ( -0.753 -1.119 2.039) 2.444 6.052 ( -0.170 0.792 0.223) 0.840 6.067 ( 0.268 -0.440 0.414) 0.661 6.561 ( 0.067 0.210 0.340) 0.405 6.564 ( 0.029 -0.003 0.388) 0.389 6.613 ( -0.071 0.624 -0.265) 0.681 6.625 ( 0.091 -0.363 -0.622) 0.726 7.112 ( 0.044 0.478 0.481) 0.680 7.123 ( -0.040 -0.501 0.575) 0.764 7.198 ( -0.202 1.110 -0.048) 1.129 7.222 ( 0.067 -1.039 -0.531) 1.169 8.395 ( -0.331 1.907 -0.497) 1.998 8.435 ( 0.145 -1.579 -0.940) 1.844 12.147 ( -0.417 0.523 -0.317) 0.740 12.155 ( -0.457 -0.084 -0.466) 0.658 12.304 ( 0.049 2.816 1.056) 3.008 12.377 ( 0.414 -3.523 -0.214) 3.554 13.071 ( -0.748 1.498 1.661) 2.358 13.102 ( -0.627 -1.234 2.572) 2.920 13.266 ( 0.571 6.110 -1.188) 6.251 13.392 ( 0.541 -5.435 -0.551) 5.490 13.798 ( -0.272 0.376 0.837) 0.957 13.839 ( 0.237 -3.266 0.275) 3.286 ======================= Grid point 64 (35/84) ======================= q-point: ( 0.11 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 1.255 2.298 3.386) 4.281 0.596 ( 0.889 0.851 2.400) 2.697 0.623 ( 0.162 1.719 4.247) 4.584 0.662 ( -1.087 -1.273 3.939) 4.280 0.719 ( -2.293 3.758 0.870) 4.487 0.800 ( -0.154 -2.717 -0.552) 2.777 0.874 ( 0.402 2.706 -1.142) 2.964 0.926 ( 0.381 -1.736 -0.751) 1.929 0.952 ( -1.341 2.119 -0.980) 2.693 0.986 ( 1.959 2.419 -0.236) 3.122 1.003 ( -0.255 -1.552 -1.244) 2.005 1.045 ( 0.869 -1.754 -0.469) 2.013 1.178 ( 7.809 4.263 -2.082) 9.138 1.254 ( 1.842 0.655 -0.878) 2.143 1.340 ( 5.282 -0.311 0.356) 5.303 1.412 ( 0.639 1.280 -0.451) 1.500 1.448 ( 1.408 -3.623 0.643) 3.940 1.514 ( 7.759 -6.480 -5.182) 11.360 1.554 ( 0.710 4.664 1.690) 5.011 1.657 ( 1.766 -3.746 0.907) 4.239 1.716 ( -1.124 4.171 0.342) 4.334 1.806 ( -1.578 -3.790 0.203) 4.111 1.943 ( -1.459 3.271 2.451) 4.339 1.997 ( -0.849 -0.992 2.233) 2.587 2.081 ( 1.087 3.465 1.256) 3.843 2.149 ( 1.894 -0.865 -0.300) 2.104 2.283 ( -1.163 0.142 1.788) 2.137 2.296 ( 0.213 -0.266 0.951) 1.011 2.336 ( -2.136 3.648 4.664) 6.295 2.379 ( 0.486 1.208 -0.435) 1.373 2.466 ( 0.641 -1.981 3.091) 3.727 2.551 ( -1.830 -5.813 1.437) 6.262 2.713 ( 2.123 1.099 1.078) 2.623 2.749 ( 1.132 -1.746 2.347) 3.137 2.961 ( -1.055 3.419 -2.740) 4.507 3.038 ( -1.525 -3.520 -3.992) 5.537 3.090 ( 2.226 1.824 0.463) 2.915 3.140 ( 1.241 -2.371 -0.212) 2.685 3.563 ( -0.169 3.991 0.603) 4.040 3.638 ( 0.789 -2.174 -0.643) 2.401 3.708 ( 2.858 2.065 0.827) 3.622 3.770 ( 1.581 -3.497 0.580) 3.881 4.189 ( -0.604 0.556 -2.816) 2.933 4.215 ( -0.620 -1.747 -3.314) 3.797 4.704 ( -0.995 0.518 -3.898) 4.056 4.726 ( -0.058 -1.246 -3.428) 3.648 5.099 ( -0.369 2.737 -0.666) 2.841 5.151 ( 0.848 -2.147 -1.302) 2.651 5.344 ( -0.961 1.369 2.479) 2.991 5.375 ( -1.241 -1.310 1.669) 2.458 6.047 ( -0.926 1.022 0.266) 1.404 6.070 ( -0.532 -0.860 0.295) 1.053 6.567 ( -0.107 0.153 0.444) 0.481 6.569 ( -0.150 -0.041 0.470) 0.495 6.607 ( -0.212 0.477 -0.250) 0.579 6.616 ( -0.128 -0.236 -0.603) 0.660 7.119 ( -0.159 0.488 0.700) 0.868 7.129 ( -0.192 -0.453 0.712) 0.866 7.193 ( -0.216 0.966 -0.258) 1.023 7.214 ( -0.056 -0.913 -0.733) 1.172 8.367 ( -2.370 1.735 -0.497) 2.980 8.407 ( -1.874 -1.688 -1.104) 2.753 12.146 ( 1.094 0.824 -0.583) 1.488 12.160 ( 1.516 -0.328 -0.381) 1.598 12.325 ( 0.623 2.177 1.116) 2.525 12.382 ( 0.611 -2.798 -0.287) 2.879 13.071 ( -2.560 2.050 2.193) 3.945 13.114 ( -2.920 -1.788 3.480) 4.882 13.248 ( -0.656 5.735 -1.496) 5.963 13.365 ( -1.833 -4.985 -1.989) 5.672 13.801 ( -0.928 0.822 1.028) 1.610 13.844 ( -0.130 -2.985 0.317) 3.005 ======================= Grid point 65 (36/84) ======================= q-point: ( 0.22 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 0.082 0.699 2.605) 2.698 0.637 ( 0.035 0.248 2.911) 2.922 0.676 ( 1.493 2.538 0.805) 3.052 0.697 ( 0.162 1.315 1.490) 1.994 0.725 ( -0.887 -0.125 3.947) 4.047 0.786 ( -0.849 -3.896 -0.340) 4.001 0.861 ( -0.239 2.736 -1.892) 3.335 0.920 ( -0.266 -2.363 -2.607) 3.529 0.942 ( 0.477 0.130 -0.752) 0.899 0.958 ( 2.030 -1.086 1.652) 2.834 1.046 ( 3.872 1.667 -0.417) 4.236 1.081 ( 3.908 -0.579 -0.276) 3.961 1.254 ( 0.773 1.948 -0.035) 2.096 1.274 ( 3.984 1.310 -1.052) 4.323 1.413 ( 3.429 -0.062 -0.690) 3.499 1.451 ( 7.440 -1.110 -0.620) 7.547 1.492 ( 3.299 0.321 -0.576) 3.364 1.556 ( 7.148 -5.090 -6.570) 10.962 1.601 ( -0.314 4.302 4.939) 6.557 1.693 ( 0.626 -0.130 1.632) 1.753 1.716 ( 2.858 -0.100 -0.867) 2.988 1.791 ( -1.142 -3.600 0.293) 3.788 1.956 ( -0.668 3.461 2.004) 4.055 2.012 ( -0.321 -1.135 1.556) 1.952 2.103 ( 0.606 1.682 0.438) 1.841 2.154 ( 0.735 -1.655 -1.895) 2.622 2.274 ( -2.610 2.087 1.826) 3.808 2.306 ( -1.148 -2.244 1.141) 2.767 2.379 ( -0.195 2.769 3.924) 4.806 2.410 ( 1.872 2.137 2.141) 3.558 2.490 ( 1.617 -1.294 -2.731) 3.428 2.519 ( -3.783 -5.705 0.873) 6.901 2.762 ( 1.200 2.433 2.102) 3.432 2.797 ( 2.248 -0.489 0.502) 2.355 2.923 ( -1.236 1.412 0.059) 1.878 2.968 ( -1.226 -2.624 -2.945) 4.130 3.140 ( 2.942 1.074 0.867) 3.249 3.168 ( 2.229 -1.155 0.373) 2.539 3.578 ( -0.155 2.419 1.705) 2.964 3.636 ( -0.560 -2.778 -0.138) 2.837 3.764 ( 3.821 2.481 -0.042) 4.556 3.814 ( 3.623 -1.748 -0.223) 4.029 4.130 ( -1.753 0.583 -3.116) 3.623 4.152 ( -1.737 -1.083 -3.311) 3.892 4.644 ( -1.055 1.400 -2.424) 2.992 4.683 ( -0.589 -1.710 -2.303) 2.928 5.081 ( -0.970 3.035 -0.387) 3.210 5.141 ( 0.269 -2.472 -1.430) 2.869 5.367 ( -0.397 0.386 2.239) 2.307 5.380 ( -0.787 -0.748 1.559) 1.900 6.033 ( -1.234 0.859 0.160) 1.512 6.058 ( -1.226 -1.192 0.045) 1.711 6.568 ( -0.345 0.006 0.244) 0.422 6.570 ( -0.377 -0.142 0.216) 0.457 6.602 ( -0.163 0.315 0.005) 0.355 6.607 ( -0.142 -0.044 -0.391) 0.418 7.124 ( -0.234 0.493 0.590) 0.803 7.135 ( -0.185 -0.437 0.566) 0.738 7.186 ( -0.200 0.764 -0.223) 0.820 7.203 ( -0.129 -0.729 -0.646) 0.983 8.317 ( -3.445 1.785 -0.195) 3.885 8.358 ( -2.773 -1.868 -0.708) 3.418 12.162 ( 1.818 1.115 -0.398) 2.170 12.185 ( 2.085 -0.880 0.000) 2.263 12.348 ( 0.794 1.475 0.672) 1.805 12.386 ( 0.624 -1.835 -0.508) 2.004 13.056 ( -3.202 2.265 2.425) 4.611 13.108 ( -4.117 -2.207 3.678) 5.946 13.208 ( -1.515 4.485 -1.785) 5.059 13.294 ( -3.039 -3.269 -2.892) 5.318 13.797 ( -1.148 1.551 0.868) 2.116 13.843 ( -0.266 -2.545 0.067) 2.560 ======================= Grid point 66 (37/84) ======================= q-point: ( 0.33 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 0.430 1.000 0.232) 1.113 0.668 ( -0.041 0.507 0.993) 1.115 0.694 ( 0.833 0.773 0.710) 1.340 0.698 ( -0.369 0.691 -1.156) 1.396 0.738 ( -1.108 0.016 -0.728) 1.326 0.771 ( -1.548 -3.094 1.179) 3.655 0.849 ( 0.403 0.658 0.784) 1.100 0.869 ( -0.604 -1.208 -1.979) 2.396 0.992 ( 3.340 1.255 1.854) 4.021 1.027 ( 3.443 -1.538 0.799) 3.854 1.104 ( 4.170 2.141 -0.471) 4.711 1.123 ( 2.091 0.908 -1.013) 2.494 1.255 ( -0.254 0.206 0.020) 0.328 1.301 ( 2.042 -2.080 0.670) 2.991 1.454 ( -2.432 5.372 -3.026) 6.628 1.485 ( 5.910 0.790 -1.828) 6.236 1.567 ( 5.549 -3.513 -5.911) 8.836 1.580 ( 5.528 -4.470 1.100) 7.194 1.663 ( 0.178 4.232 4.560) 6.224 1.736 ( 3.700 0.971 -0.687) 3.887 1.757 ( 0.521 -3.597 2.224) 4.261 1.785 ( 1.708 -2.216 -1.054) 2.989 1.973 ( -0.628 2.882 1.838) 3.475 2.028 ( 0.070 -0.859 1.065) 1.371 2.110 ( 0.959 -0.661 -2.075) 2.379 2.128 ( 0.389 -0.238 -2.323) 2.368 2.260 ( -1.832 2.574 1.437) 3.471 2.301 ( -2.236 -2.210 2.356) 3.928 2.412 ( 0.180 -0.296 -0.521) 0.626 2.419 ( 1.179 1.807 -5.441) 5.853 2.492 ( 0.549 -1.551 3.544) 3.908 2.500 ( -2.211 -3.321 3.628) 5.393 2.788 ( 0.141 3.062 -0.043) 3.065 2.824 ( 1.951 0.609 -0.991) 2.271 2.915 ( -1.457 0.370 0.841) 1.722 2.932 ( -0.266 -1.971 -0.462) 2.042 3.191 ( 2.089 0.800 0.631) 2.324 3.208 ( 2.008 -0.527 0.303) 2.099 3.596 ( -0.527 0.875 1.449) 1.772 3.617 ( -1.445 -1.272 -0.279) 1.945 3.817 ( 3.826 2.621 -0.919) 4.728 3.859 ( 3.793 -0.678 -1.951) 4.319 4.073 ( -1.671 0.596 -0.722) 1.916 4.097 ( -1.938 -1.367 0.209) 2.381 4.619 ( -0.295 1.839 0.214) 1.874 4.653 ( -1.072 -0.910 -0.242) 1.426 5.064 ( -0.884 2.958 0.092) 3.089 5.127 ( 0.280 -2.782 -1.065) 2.992 5.380 ( -0.257 0.321 0.427) 0.593 5.391 ( -0.504 -0.655 1.259) 1.506 6.017 ( -0.907 0.385 -0.004) 0.986 6.038 ( -1.401 -1.276 -0.053) 1.896 6.563 ( -0.359 -0.159 -0.060) 0.397 6.564 ( -0.380 -0.224 -0.089) 0.450 6.601 ( -0.107 0.217 -0.058) 0.249 6.602 ( -0.084 0.117 0.100) 0.175 7.125 ( -0.199 0.475 0.002) 0.515 7.137 ( -0.091 -0.493 -0.101) 0.511 7.183 ( -0.188 0.613 0.221) 0.678 7.196 ( -0.107 -0.541 -0.075) 0.557 8.266 ( -3.034 2.047 0.266) 3.670 8.312 ( -2.452 -2.011 -0.126) 3.173 12.186 ( 1.514 1.261 0.137) 1.975 12.217 ( 1.495 -1.445 0.493) 2.137 12.365 ( 0.719 0.973 0.137) 1.217 12.387 ( 0.511 -0.970 -0.644) 1.272 13.037 ( -2.832 1.965 1.401) 3.721 13.083 ( -3.944 -2.021 1.578) 4.704 13.168 ( -1.309 2.873 -0.532) 3.201 13.215 ( -2.282 -1.393 -2.165) 3.440 13.789 ( -0.965 2.184 0.416) 2.423 13.838 ( -0.143 -2.149 -0.348) 2.181 ======================= Grid point 67 (38/84) ======================= q-point: ( 0.44 0.40 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -0.423 0.518 -4.096) 4.150 0.640 ( -0.462 -0.997 -3.847) 4.001 0.701 ( -0.196 1.529 -0.166) 1.551 0.702 ( 0.274 1.160 -2.267) 2.562 0.728 ( 0.703 -0.514 2.038) 2.216 0.767 ( -0.936 -3.124 1.320) 3.519 0.858 ( -0.148 0.806 0.898) 1.216 0.878 ( 0.592 -0.922 1.957) 2.243 1.040 ( -0.627 0.787 -1.105) 1.495 1.055 ( 1.939 -0.287 -1.147) 2.271 1.142 ( 1.304 1.261 1.437) 2.314 1.157 ( 2.590 0.449 1.319) 2.941 1.253 ( -0.681 2.441 0.079) 2.535 1.334 ( 1.340 4.014 -4.785) 6.388 1.385 ( 0.668 -3.796 -1.034) 3.991 1.459 ( -3.048 -4.022 -3.919) 6.389 1.582 ( 6.068 1.395 -4.616) 7.751 1.665 ( 2.931 -3.452 0.801) 4.599 1.720 ( -0.291 3.740 3.498) 5.129 1.767 ( 1.372 0.106 -0.247) 1.398 1.772 ( 0.599 -0.294 -1.173) 1.350 1.819 ( 1.295 -3.767 1.466) 4.244 1.976 ( -1.820 1.782 0.978) 2.729 2.029 ( -0.751 -2.208 -1.363) 2.701 2.072 ( 1.248 2.720 -3.193) 4.376 2.129 ( 1.439 -1.266 -0.853) 2.098 2.264 ( -0.447 1.543 1.694) 2.335 2.301 ( -2.871 -1.773 3.449) 4.825 2.364 ( 1.125 -0.183 -4.407) 4.552 2.390 ( -0.322 -2.545 -2.033) 3.273 2.533 ( -1.112 0.080 4.548) 4.683 2.551 ( 0.105 -0.569 3.800) 3.843 2.778 ( 0.299 3.329 -1.705) 3.752 2.825 ( 1.091 -0.156 -2.372) 2.616 2.904 ( -1.289 1.329 0.872) 2.046 2.932 ( -0.048 -1.746 0.403) 1.793 3.208 ( 0.056 0.563 -0.772) 0.957 3.223 ( 0.288 -0.609 -0.913) 1.134 3.590 ( -0.195 0.031 -0.902) 0.923 3.597 ( -0.775 0.063 0.035) 0.779 3.852 ( 2.081 2.035 -0.943) 3.060 3.878 ( 2.372 0.094 -2.048) 3.135 4.078 ( -0.045 1.086 3.411) 3.580 4.109 ( -0.838 -1.458 4.437) 4.745 4.637 ( 0.318 1.469 2.204) 2.667 4.646 ( -0.930 0.694 1.819) 2.158 5.060 ( -0.318 2.881 0.790) 3.004 5.127 ( 0.831 -3.066 -0.176) 3.182 5.370 ( -0.459 0.549 -1.122) 1.331 5.388 ( -0.892 -0.904 -0.265) 1.297 6.008 ( 0.005 -0.166 -0.128) 0.209 6.018 ( -0.923 -0.972 -0.085) 1.343 6.558 ( -0.100 -0.164 -0.222) 0.293 6.558 ( -0.082 -0.239 -0.181) 0.311 6.599 ( -0.081 0.314 -0.029) 0.326 6.604 ( -0.050 -0.068 0.182) 0.200 7.119 ( -0.079 0.423 -0.648) 0.778 7.130 ( 0.033 -0.527 -0.794) 0.953 7.186 ( -0.193 0.605 0.661) 0.916 7.198 ( -0.002 -0.487 0.523) 0.715 8.239 ( -1.333 2.328 0.752) 2.786 8.286 ( -0.928 -1.903 0.304) 2.139 12.209 ( 0.588 1.107 0.808) 1.491 12.239 ( 0.169 -1.618 0.848) 1.835 12.373 ( 0.299 0.707 -0.251) 0.807 12.385 ( 0.512 -0.444 -0.646) 0.936 13.004 ( -1.782 1.253 -0.871) 2.346 13.033 ( -2.284 -1.240 -1.405) 2.955 13.162 ( -0.410 1.654 1.238) 2.107 13.184 ( 0.224 -0.320 -0.016) 0.391 13.780 ( -0.603 2.493 -0.070) 2.566 13.831 ( 0.151 -2.042 -0.746) 2.179 ======================= Grid point 68 (39/84) ======================= q-point: (-0.44 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 0.369 0.315 -4.178) 4.206 0.581 ( -0.097 -0.912 -4.211) 4.310 0.665 ( -0.439 1.126 -2.730) 2.985 0.674 ( -0.660 0.501 -2.793) 2.913 0.755 ( -1.288 -0.174 1.196) 1.766 0.781 ( 0.613 -2.388 1.242) 2.761 0.879 ( 0.049 1.625 2.107) 2.661 0.916 ( 1.172 -1.645 1.845) 2.735 1.000 ( -2.016 0.747 -0.439) 2.195 1.037 ( -1.507 -2.309 -1.625) 3.201 1.169 ( -3.064 2.266 0.212) 3.817 1.189 ( -0.995 1.355 1.509) 2.259 1.242 ( 1.240 -0.784 0.452) 1.536 1.291 ( 3.385 5.344 -6.338) 8.954 1.299 ( -3.675 -2.114 -3.696) 5.625 1.450 ( 4.421 -4.369 -2.502) 6.700 1.600 ( 4.120 1.301 -4.984) 6.595 1.665 ( -1.137 -1.392 -2.460) 3.047 1.717 ( -5.047 2.294 2.238) 5.979 1.769 ( -0.516 -1.078 0.968) 1.538 1.780 ( -0.618 0.608 0.587) 1.047 1.837 ( -0.861 -3.215 0.815) 3.426 1.936 ( -2.707 1.402 -0.899) 3.178 1.988 ( -0.288 -2.430 -2.617) 3.583 2.076 ( 1.318 2.589 -0.240) 2.915 2.136 ( 0.560 -1.612 -0.797) 1.884 2.285 ( 0.506 0.155 0.971) 1.106 2.301 ( -3.693 -0.643 4.036) 5.508 2.337 ( 0.710 -0.559 -1.861) 2.069 2.363 ( -0.762 -2.901 -0.599) 3.058 2.569 ( -1.431 2.236 2.746) 3.820 2.590 ( -0.289 0.247 2.695) 2.722 2.750 ( -0.737 3.058 -2.167) 3.820 2.802 ( 0.639 -1.155 -3.175) 3.439 2.902 ( -0.307 1.972 1.133) 2.295 2.947 ( 1.285 -1.936 0.625) 2.406 3.183 ( -1.018 0.545 -1.147) 1.627 3.201 ( -0.839 -1.001 -1.040) 1.669 3.586 ( -0.285 0.966 0.189) 1.024 3.597 ( 1.295 -0.474 0.034) 1.380 3.845 ( -0.925 1.445 -1.437) 2.238 3.870 ( -0.035 -0.392 -2.141) 2.177 4.148 ( 1.047 1.400 5.209) 5.494 4.169 ( -0.025 -0.358 4.942) 4.955 4.666 ( -0.220 2.032 3.128) 3.736 4.687 ( 1.046 0.392 2.954) 3.158 5.076 ( 0.263 3.029 1.563) 3.419 5.148 ( 1.233 -3.282 0.838) 3.604 5.339 ( -0.643 0.557 -2.207) 2.366 5.359 ( -1.141 -1.059 -1.550) 2.196 6.009 ( -0.031 -0.273 -0.140) 0.308 6.014 ( 0.980 -0.622 -0.262) 1.190 6.555 ( 0.187 -0.026 -0.254) 0.316 6.557 ( 0.186 -0.172 -0.216) 0.333 6.599 ( 0.015 0.331 0.064) 0.338 6.606 ( 0.105 -0.276 0.155) 0.334 7.109 ( 0.117 0.400 -0.847) 0.944 7.120 ( 0.180 -0.517 -0.928) 1.077 7.192 ( -0.206 0.714 0.705) 1.024 7.207 ( 0.108 -0.609 0.619) 0.875 8.248 ( 0.870 2.478 1.086) 2.842 8.293 ( 1.178 -1.548 0.432) 1.992 12.224 ( -0.645 0.631 1.469) 1.724 12.243 ( -1.157 -1.143 0.957) 1.887 12.364 ( -0.562 1.122 -0.705) 1.439 12.387 ( 0.605 -0.923 -0.596) 1.254 12.973 ( 0.096 0.816 -1.540) 1.746 12.993 ( 0.192 -0.899 -1.992) 2.194 13.179 ( 0.743 2.183 1.029) 2.525 13.215 ( 2.752 -1.060 0.693) 3.029 13.771 ( -0.176 2.397 -0.313) 2.424 13.824 ( 0.484 -2.297 -0.979) 2.543 ======================= Grid point 69 (40/84) ======================= q-point: (-0.33 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 0.535 1.138 -4.202) 4.387 0.541 ( 1.437 -0.656 -3.102) 3.481 0.609 ( -1.879 0.855 -2.755) 3.442 0.635 ( -0.445 -1.182 -1.872) 2.258 0.719 ( -3.457 2.924 -0.154) 4.530 0.802 ( 0.277 -3.927 0.867) 4.031 0.908 ( 0.252 2.172 1.431) 2.613 0.954 ( 1.082 -1.915 0.606) 2.281 0.976 ( -3.012 -0.086 -0.114) 3.015 0.989 ( -0.702 -0.827 1.192) 1.611 1.114 ( -3.503 0.837 0.281) 3.612 1.130 ( -4.153 -0.561 -1.459) 4.437 1.235 ( 0.461 6.000 -2.160) 6.394 1.268 ( 3.811 7.879 -4.266) 9.737 1.319 ( 2.500 -3.273 1.896) 4.534 1.469 ( 1.699 -5.029 -2.026) 5.682 1.559 ( -1.106 -0.982 -4.820) 5.042 1.597 ( -1.736 -3.269 -3.939) 5.405 1.659 ( -4.021 3.799 -0.082) 5.532 1.731 ( -3.881 -1.718 -1.281) 4.433 1.780 ( -2.334 1.059 3.236) 4.128 1.829 ( -1.648 -2.428 1.027) 3.109 1.899 ( -1.575 0.965 0.377) 1.886 1.951 ( -0.578 -2.856 -2.044) 3.560 2.094 ( 1.485 0.262 -0.465) 1.578 2.118 ( -1.259 -0.815 -1.174) 1.904 2.281 ( -0.901 0.972 -0.200) 1.341 2.312 ( -2.506 1.088 4.122) 4.945 2.327 ( 0.431 -1.031 -1.618) 1.966 2.366 ( -1.382 -3.532 3.630) 5.250 2.539 ( -4.207 5.325 -0.445) 6.801 2.614 ( -0.631 -1.090 1.287) 1.801 2.707 ( -1.049 1.956 -1.751) 2.827 2.756 ( -0.785 -2.468 -3.415) 4.286 2.930 ( 1.694 2.710 1.257) 3.434 2.986 ( 2.593 -2.057 0.512) 3.349 3.163 ( -0.710 0.689 0.333) 1.044 3.182 ( -1.087 -0.965 0.289) 1.482 3.585 ( -0.438 2.590 0.542) 2.682 3.631 ( 2.053 -2.093 0.841) 3.050 3.793 ( -2.943 1.190 -1.660) 3.583 3.820 ( -2.489 -0.852 -2.384) 3.550 4.211 ( -0.148 1.265 2.962) 3.224 4.232 ( 0.871 -0.389 3.349) 3.483 4.717 ( 1.117 1.988 3.169) 3.904 4.741 ( 1.282 0.019 2.352) 2.679 5.105 ( 0.428 3.127 1.780) 3.623 5.177 ( 0.805 -3.266 0.740) 3.444 5.302 ( -0.393 0.759 -1.506) 1.731 5.324 ( -0.259 -1.087 -1.699) 2.033 6.013 ( 0.782 0.426 -0.166) 0.906 6.028 ( 1.406 -0.791 -0.394) 1.661 6.555 ( 0.247 0.092 -0.259) 0.370 6.557 ( 0.227 -0.025 -0.281) 0.362 6.602 ( 0.221 0.353 0.198) 0.461 6.612 ( 0.397 -0.441 0.187) 0.622 7.102 ( 0.307 0.412 -0.652) 0.830 7.113 ( 0.302 -0.483 -0.666) 0.877 7.197 ( -0.212 0.887 0.528) 1.054 7.216 ( 0.195 -0.812 0.403) 0.927 8.289 ( 2.533 2.430 1.125) 3.687 8.330 ( 2.880 -1.110 0.252) 3.096 12.223 ( -2.258 0.175 1.396) 2.660 12.233 ( -1.780 -0.659 1.245) 2.270 12.340 ( -1.030 1.975 -0.959) 2.425 12.386 ( 0.321 -2.062 -0.646) 2.185 12.973 ( 1.921 0.674 -0.752) 2.170 12.990 ( 2.224 -0.781 -1.265) 2.675 13.209 ( 1.884 3.393 0.328) 3.894 13.273 ( 3.964 -2.437 0.038) 4.653 13.768 ( 0.275 1.878 -0.188) 1.907 13.820 ( 0.746 -2.757 -0.915) 2.999 ======================= Grid point 70 (41/84) ======================= q-point: (-0.22 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 0.578 2.214 -2.596) 3.460 0.530 ( 1.080 -2.165 -2.219) 3.283 0.557 ( -1.294 3.315 -0.314) 3.572 0.600 ( -2.227 -1.420 0.033) 2.642 0.693 ( 0.243 5.815 0.669) 5.858 0.819 ( 0.445 -4.758 0.760) 4.839 0.914 ( -1.001 2.298 0.666) 2.593 0.938 ( -1.688 2.545 0.583) 3.109 0.969 ( 0.576 -0.324 -0.153) 0.678 1.017 ( 0.650 -1.837 0.532) 2.020 1.062 ( -3.289 2.196 0.608) 4.001 1.079 ( -1.857 0.003 0.285) 1.879 1.192 ( 0.237 10.988 -4.592) 11.911 1.296 ( 2.729 5.580 0.286) 6.218 1.369 ( -1.568 -2.179 2.660) 3.779 1.433 ( -5.559 -1.868 1.465) 6.045 1.472 ( -4.383 -2.458 -1.358) 5.206 1.517 ( 1.327 -6.792 -6.352) 9.394 1.601 ( -0.567 2.121 -3.259) 3.929 1.653 ( -2.527 -1.981 -2.706) 4.199 1.795 ( -1.881 -0.688 2.848) 3.482 1.809 ( -2.376 -1.847 1.544) 3.383 1.902 ( -0.344 -0.518 1.980) 2.076 1.921 ( -0.388 -2.132 -0.619) 2.253 2.075 ( -1.576 1.233 -1.592) 2.557 2.106 ( 1.123 -2.214 -0.898) 2.640 2.267 ( -0.711 2.327 0.084) 2.434 2.304 ( -1.687 1.796 0.274) 2.479 2.332 ( -1.656 0.307 3.101) 3.529 2.391 ( -2.199 -3.991 3.051) 5.484 2.459 ( -3.720 5.993 -0.678) 7.086 2.589 ( -3.448 -4.697 -0.315) 5.835 2.681 ( 0.167 0.842 -1.028) 1.339 2.708 ( -0.831 -1.766 -1.655) 2.559 2.974 ( 2.581 2.867 0.160) 3.861 3.025 ( 2.556 -1.214 -0.835) 2.951 3.165 ( -1.302 -0.355 1.746) 2.207 3.173 ( -1.161 -0.715 0.875) 1.620 3.586 ( -0.261 4.524 0.498) 4.559 3.666 ( 0.274 -2.558 1.015) 2.766 3.726 ( -3.030 0.111 -1.111) 3.229 3.747 ( -1.916 -1.367 -2.550) 3.470 4.232 ( 0.133 1.341 0.490) 1.434 4.269 ( 0.276 -1.946 1.028) 2.218 4.769 ( 1.436 0.988 1.385) 2.227 4.780 ( 1.045 0.101 0.804) 1.322 5.126 ( 0.125 2.469 0.505) 2.523 5.176 ( -0.189 -2.050 -1.370) 2.472 5.304 ( 0.454 0.438 1.617) 1.736 5.315 ( 0.839 -0.415 -0.463) 1.045 6.027 ( 1.145 0.714 -0.014) 1.350 6.044 ( 1.189 -0.638 -0.340) 1.391 6.556 ( 0.176 0.155 -0.191) 0.303 6.557 ( 0.190 0.044 -0.165) 0.255 6.609 ( 0.326 0.489 0.181) 0.615 6.622 ( 0.554 -0.543 0.078) 0.780 7.101 ( 0.384 0.431 -0.277) 0.640 7.112 ( 0.317 -0.453 -0.212) 0.592 7.200 ( -0.200 1.073 0.323) 1.138 7.223 ( 0.232 -0.995 0.093) 1.026 8.345 ( 2.883 2.234 0.784) 3.730 8.380 ( 3.438 -0.863 -0.085) 3.546 12.196 ( -2.640 0.701 0.538) 2.784 12.218 ( -2.664 -1.481 1.255) 3.296 12.313 ( -1.035 2.908 -0.591) 3.143 12.381 ( 0.113 -3.152 -0.550) 3.202 13.006 ( 2.488 0.708 0.362) 2.612 13.022 ( 2.852 -0.664 -0.032) 2.928 13.241 ( 2.191 4.503 -0.317) 5.018 13.328 ( 3.795 -3.452 -0.616) 5.168 13.775 ( 0.579 1.085 0.177) 1.243 13.823 ( 0.828 -3.156 -0.545) 3.307 ======================= Grid point 71 (42/84) ======================= q-point: (-0.11 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 0.155 3.359 1.609) 3.728 0.523 ( -0.082 0.868 0.813) 1.192 0.559 ( -0.176 1.600 1.103) 1.951 0.590 ( -0.190 -1.087 1.705) 2.031 0.725 ( 2.157 5.588 0.467) 6.008 0.824 ( -0.782 -2.339 0.051) 2.467 0.908 ( -0.172 2.335 -0.276) 2.358 0.934 ( -0.254 3.181 1.082) 3.370 0.966 ( -0.111 1.146 -1.086) 1.583 0.990 ( -2.315 1.314 -0.013) 2.662 1.053 ( -0.847 2.668 -0.665) 2.877 1.063 ( -0.840 0.487 0.287) 1.012 1.141 ( 0.181 6.980 -2.553) 7.434 1.298 ( -6.976 2.835 2.400) 7.903 1.329 ( -2.505 -0.844 -0.237) 2.654 1.382 ( -1.753 1.129 -0.529) 2.151 1.431 ( 0.052 -6.966 1.593) 7.146 1.491 ( 2.411 -5.088 -3.368) 6.561 1.565 ( 1.471 1.405 -3.337) 3.908 1.591 ( -1.882 -0.361 -0.643) 2.021 1.756 ( -2.610 1.628 -0.697) 3.154 1.835 ( 0.457 -4.687 1.482) 4.937 1.905 ( -1.070 1.145 2.179) 2.684 1.959 ( -0.225 -1.750 3.930) 4.308 2.037 ( -0.234 2.592 -1.298) 2.909 2.102 ( 0.764 -3.387 -1.535) 3.796 2.262 ( -0.691 3.057 0.737) 3.220 2.284 ( -1.469 1.922 0.668) 2.509 2.336 ( -3.397 1.687 3.102) 4.900 2.377 ( -0.089 -2.362 0.173) 2.370 2.431 ( -2.707 1.829 1.384) 3.548 2.541 ( -2.708 -5.186 1.644) 6.077 2.681 ( 0.390 -0.800 -0.406) 0.979 2.687 ( -0.274 -1.781 0.311) 1.828 3.005 ( 2.452 2.773 -1.479) 3.986 3.042 ( 2.155 0.032 -1.698) 2.744 3.151 ( -2.325 -0.995 0.495) 2.576 3.168 ( -1.536 -1.916 0.624) 2.534 3.587 ( -0.570 6.528 0.284) 6.559 3.652 ( -1.308 0.967 -0.472) 1.694 3.669 ( -2.574 -0.900 -0.375) 2.753 3.733 ( 1.736 -5.489 -0.831) 5.817 4.233 ( 0.586 0.955 -1.059) 1.542 4.273 ( 0.105 -2.768 -0.727) 2.864 4.788 ( 0.730 0.034 -1.102) 1.322 4.790 ( 0.675 -0.045 -1.297) 1.463 5.122 ( 0.071 1.812 -1.039) 2.090 5.156 ( 0.310 -1.396 -1.310) 1.939 5.326 ( 0.169 1.044 0.674) 1.254 5.341 ( 0.240 -0.295 2.491) 2.519 6.044 ( 0.831 0.640 0.187) 1.065 6.055 ( 0.711 -0.346 0.032) 0.791 6.557 ( 0.144 0.202 0.060) 0.255 6.559 ( 0.136 0.022 0.113) 0.178 6.615 ( 0.190 0.629 -0.040) 0.658 6.628 ( 0.385 -0.520 -0.330) 0.727 7.105 ( 0.279 0.453 0.119) 0.545 7.116 ( 0.187 -0.477 0.260) 0.575 7.200 ( -0.183 1.169 0.167) 1.195 7.225 ( 0.188 -1.081 -0.225) 1.120 8.387 ( 1.740 2.052 0.040) 2.690 8.424 ( 2.463 -1.155 -0.418) 2.752 12.165 ( -1.787 0.772 0.042) 1.947 12.185 ( -2.681 -1.127 0.111) 2.910 12.299 ( -0.603 3.151 0.399) 3.233 12.376 ( 0.142 -3.689 -0.363) 3.710 13.048 ( 1.400 0.959 1.137) 2.043 13.067 ( 1.716 -0.780 1.350) 2.318 13.263 ( 1.652 5.419 -0.888) 5.734 13.371 ( 2.592 -4.332 -0.262) 5.055 13.787 ( 0.396 0.458 0.520) 0.798 13.830 ( 0.639 -3.327 -0.060) 3.388 ======================= Grid point 90 (43/84) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 2.221 0.000 9.359) 9.619 0.556 ( 0.216 0.000 5.920) 5.924 0.600 ( -0.659 0.000 1.487) 1.627 0.650 ( 0.073 0.000 -0.242) 0.253 0.726 ( -0.111 0.000 2.844) 2.846 0.779 ( -0.442 0.000 -0.156) 0.469 0.839 ( -1.895 0.000 9.163) 9.357 0.875 ( 0.042 0.000 -0.951) 0.952 0.890 ( 2.059 0.000 -1.581) 2.596 0.993 ( 5.148 0.000 0.977) 5.240 0.999 ( -2.224 0.000 0.201) 2.233 1.081 ( -0.436 0.000 -3.238) 3.267 1.202 ( -9.387 0.000 1.079) 9.449 1.300 ( -1.146 0.000 1.869) 2.192 1.345 ( 3.375 0.000 0.487) 3.410 1.368 ( -1.889 0.000 6.831) 7.088 1.407 ( 1.264 0.000 4.464) 4.639 1.434 ( -1.814 0.000 -1.555) 2.389 1.581 ( -1.257 0.000 0.697) 1.437 1.648 ( 2.991 0.000 -1.724) 3.452 1.767 ( 1.540 0.000 -1.203) 1.954 1.881 ( -1.650 0.000 -3.100) 3.512 1.916 ( 1.504 0.000 -1.837) 2.374 1.969 ( -0.758 0.000 3.987) 4.058 2.091 ( 2.482 0.000 -1.208) 2.761 2.105 ( -1.462 0.000 -1.641) 2.197 2.132 ( 0.376 0.000 6.269) 6.280 2.292 ( -4.074 0.000 3.893) 5.635 2.345 ( -0.548 0.000 2.003) 2.077 2.370 ( 0.931 0.000 -0.384) 1.007 2.487 ( 6.742 0.000 -8.534) 10.876 2.576 ( 0.574 0.000 -4.485) 4.521 2.772 ( 0.659 0.000 2.316) 2.408 2.797 ( -1.409 0.000 0.927) 1.687 2.883 ( -1.117 0.000 2.973) 3.175 3.064 ( 2.307 0.000 2.403) 3.331 3.102 ( -0.736 0.000 -4.027) 4.093 3.190 ( -0.059 0.000 -1.513) 1.514 3.580 ( -1.451 0.000 6.483) 6.643 3.604 ( 0.361 0.000 0.326) 0.487 3.671 ( -1.513 0.000 0.828) 1.725 3.861 ( 1.216 0.000 -2.415) 2.704 4.180 ( 1.460 0.000 -1.727) 2.261 4.277 ( -1.246 0.000 -5.276) 5.421 4.731 ( 0.359 0.000 -0.905) 0.973 4.745 ( -0.455 0.000 -1.564) 1.629 5.060 ( -3.339 0.000 2.171) 3.983 5.182 ( 2.236 0.000 -3.253) 3.947 5.313 ( 0.508 0.000 3.899) 3.932 5.397 ( -0.417 0.000 0.147) 0.442 6.041 ( 0.669 0.000 0.600) 0.899 6.067 ( 0.132 0.000 -0.327) 0.353 6.563 ( 0.078 0.000 0.649) 0.654 6.574 ( -0.023 0.000 0.519) 0.519 6.600 ( 0.018 0.000 0.200) 0.201 6.607 ( -0.072 0.000 -0.499) 0.504 7.129 ( -0.827 0.000 1.674) 1.867 7.152 ( -0.403 0.000 0.440) 0.596 7.169 ( -0.039 0.000 -0.036) 0.053 7.215 ( 0.848 0.000 -1.919) 2.098 8.397 ( -1.953 0.000 0.553) 2.030 8.424 ( 1.611 0.000 -0.639) 1.733 12.119 ( -1.725 0.000 -0.735) 1.875 12.121 ( 1.034 0.000 -0.469) 1.135 12.325 ( -1.690 0.000 3.385) 3.783 12.439 ( 0.672 0.000 -2.119) 2.223 13.051 ( -0.061 0.000 0.699) 0.702 13.069 ( -0.329 0.000 -0.189) 0.379 13.219 ( -0.974 0.000 5.728) 5.810 13.493 ( 1.392 0.000 -6.868) 7.007 13.854 ( -1.391 0.000 1.234) 1.860 13.921 ( 1.635 0.000 -1.906) 2.510 ======================= Grid point 91 (44/84) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 1.161 0.000 2.373) 2.642 0.615 ( 1.215 0.000 1.859) 2.221 0.636 ( -0.008 0.000 -1.954) 1.954 0.636 ( 0.871 0.000 2.779) 2.912 0.755 ( -0.731 0.000 -1.505) 1.673 0.768 ( 0.785 0.000 2.528) 2.647 0.869 ( 1.073 0.000 -2.079) 2.339 0.883 ( 0.975 0.000 -0.785) 1.252 0.966 ( -0.607 0.000 -0.418) 0.736 0.983 ( 4.426 0.000 5.818) 7.310 1.018 ( -0.448 0.000 -4.113) 4.138 1.064 ( -1.361 0.000 -1.966) 2.391 1.145 ( 2.268 0.000 6.002) 6.416 1.360 ( 3.159 0.000 2.165) 3.830 1.382 ( -0.178 0.000 -2.061) 2.068 1.395 ( -2.895 0.000 4.906) 5.696 1.443 ( 4.398 0.000 4.171) 6.062 1.472 ( 1.823 0.000 -0.781) 1.984 1.613 ( 3.536 0.000 1.200) 3.734 1.687 ( 5.125 0.000 -1.707) 5.402 1.772 ( 1.613 0.000 -1.252) 2.042 1.802 ( -0.304 0.000 -5.702) 5.710 1.941 ( 0.367 0.000 2.372) 2.400 2.007 ( 0.025 0.000 2.499) 2.499 2.033 ( -2.962 0.000 -3.652) 4.702 2.113 ( 1.280 0.000 1.145) 1.718 2.214 ( 0.547 0.000 3.027) 3.076 2.281 ( -3.057 0.000 3.487) 4.637 2.399 ( 2.644 0.000 1.045) 2.843 2.407 ( -0.139 0.000 5.919) 5.920 2.465 ( 8.029 0.000 -10.771) 13.434 2.516 ( 1.637 0.000 -6.291) 6.501 2.774 ( -2.215 0.000 -0.555) 2.283 2.796 ( -0.841 0.000 1.377) 1.613 2.919 ( -1.809 0.000 5.009) 5.325 3.033 ( -0.153 0.000 -5.083) 5.086 3.132 ( 1.483 0.000 3.043) 3.386 3.169 ( 0.911 0.000 -2.465) 2.628 3.636 ( 2.892 0.000 0.323) 2.910 3.638 ( -0.651 0.000 4.670) 4.715 3.668 ( -1.543 0.000 2.045) 2.562 3.829 ( 0.416 0.000 -4.082) 4.103 4.179 ( -0.797 0.000 1.147) 1.396 4.180 ( -3.010 0.000 -4.026) 5.026 4.704 ( -2.633 0.000 -0.814) 2.756 4.713 ( -1.766 0.000 -0.156) 1.773 5.044 ( -3.306 0.000 2.984) 4.454 5.175 ( 1.923 0.000 -2.587) 3.223 5.370 ( 0.913 0.000 2.766) 2.913 5.384 ( -0.042 0.000 -1.353) 1.353 6.056 ( 0.247 0.000 0.461) 0.523 6.058 ( -0.229 0.000 -0.909) 0.938 6.572 ( 0.075 0.000 0.531) 0.536 6.578 ( 0.085 0.000 -0.033) 0.091 6.599 ( -0.320 0.000 -0.189) 0.371 6.601 ( -0.175 0.000 0.022) 0.176 7.138 ( -1.038 0.000 1.681) 1.976 7.151 ( -0.457 0.000 0.438) 0.634 7.169 ( 0.060 0.000 0.057) 0.083 7.202 ( 0.712 0.000 -1.821) 1.955 8.356 ( -4.309 0.000 0.779) 4.379 8.424 ( -0.619 0.000 -0.507) 0.800 12.108 ( 0.676 0.000 -0.146) 0.692 12.147 ( 2.786 0.000 0.007) 2.786 12.352 ( -0.825 0.000 3.178) 3.284 12.420 ( 0.619 0.000 -2.220) 2.305 13.054 ( -0.614 0.000 0.702) 0.933 13.055 ( -1.126 0.000 -0.251) 1.153 13.262 ( -3.997 0.000 6.389) 7.537 13.391 ( -2.298 0.000 -6.920) 7.292 13.834 ( -3.263 0.000 1.487) 3.586 13.911 ( 0.352 0.000 -1.871) 1.904 ======================= Grid point 92 (45/84) ======================= q-point: ( 0.22 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 1.381 0.000 -2.941) 3.249 0.629 ( 2.435 0.000 -0.362) 2.462 0.651 ( 1.425 0.000 0.390) 1.477 0.665 ( 0.722 0.000 0.176) 0.743 0.719 ( -0.998 0.000 -1.979) 2.216 0.804 ( 1.703 0.000 -0.186) 1.714 0.871 ( 1.932 0.000 0.408) 1.975 0.915 ( 1.685 0.000 2.090) 2.685 0.967 ( 0.828 0.000 -1.358) 1.590 0.980 ( 1.783 0.000 -2.154) 2.796 0.999 ( -2.141 0.000 -0.385) 2.175 1.086 ( 3.122 0.000 1.505) 3.465 1.274 ( -0.825 0.000 4.827) 4.897 1.314 ( -1.479 0.000 -3.164) 3.493 1.447 ( 5.376 0.000 1.938) 5.715 1.469 ( -0.081 0.000 -0.162) 0.181 1.484 ( 5.031 0.000 3.187) 5.955 1.566 ( 5.195 0.000 2.671) 5.842 1.665 ( 3.741 0.000 -3.490) 5.117 1.740 ( 3.613 0.000 -1.377) 3.866 1.746 ( -0.090 0.000 -1.076) 1.079 1.799 ( 3.860 0.000 -0.470) 3.888 1.942 ( -3.175 0.000 -2.407) 3.984 1.978 ( 1.039 0.000 1.542) 1.859 2.035 ( 0.752 0.000 0.840) 1.127 2.165 ( 0.966 0.000 3.965) 4.081 2.225 ( 0.624 0.000 -1.802) 1.907 2.286 ( -0.749 0.000 1.169) 1.388 2.414 ( 3.935 0.000 -6.429) 7.537 2.437 ( 1.290 0.000 -1.990) 2.372 2.501 ( 4.827 0.000 -2.183) 5.297 2.510 ( 2.982 0.000 1.423) 3.304 2.720 ( -2.915 0.000 -1.172) 3.142 2.786 ( -2.623 0.000 1.243) 2.903 2.938 ( -2.792 0.000 2.716) 3.896 2.971 ( 0.491 0.000 -4.590) 4.616 3.162 ( 2.109 0.000 -1.747) 2.739 3.182 ( 0.844 0.000 1.760) 1.952 3.666 ( 0.717 0.000 -0.843) 1.107 3.673 ( 2.791 0.000 -2.935) 4.050 3.688 ( -3.437 0.000 6.871) 7.683 3.787 ( 1.250 0.000 -2.777) 3.045 4.100 ( -2.497 0.000 -1.089) 2.724 4.189 ( -2.392 0.000 4.007) 4.667 4.653 ( -3.629 0.000 0.560) 3.672 4.677 ( -3.373 0.000 0.754) 3.457 5.040 ( -3.053 0.000 3.730) 4.820 5.172 ( 1.647 0.000 -1.914) 2.525 5.365 ( 0.757 0.000 -2.249) 2.373 5.405 ( 0.421 0.000 0.858) 0.956 6.039 ( -0.190 0.000 -1.277) 1.291 6.059 ( -0.191 0.000 -0.098) 0.215 6.573 ( 0.073 0.000 -0.846) 0.849 6.577 ( -0.008 0.000 -0.041) 0.042 6.596 ( -0.213 0.000 0.517) 0.560 6.597 ( -0.400 0.000 0.285) 0.491 7.141 ( -1.139 0.000 1.211) 1.662 7.148 ( -0.390 0.000 -0.048) 0.393 7.172 ( -0.056 0.000 0.370) 0.375 7.192 ( 0.730 0.000 -1.164) 1.374 8.294 ( -5.195 0.000 1.043) 5.298 8.392 ( -2.206 0.000 -0.909) 2.386 12.129 ( 1.808 0.000 0.302) 1.833 12.201 ( 3.596 0.000 0.684) 3.661 12.376 ( -1.028 0.000 2.536) 2.737 12.402 ( 0.503 0.000 -1.719) 1.791 13.027 ( -1.855 0.000 -0.595) 1.948 13.055 ( -0.464 0.000 0.661) 0.808 13.258 ( -3.552 0.000 -5.992) 6.966 13.264 ( -6.299 0.000 5.863) 8.605 13.801 ( -3.981 0.000 1.952) 4.434 13.885 ( -0.269 0.000 -2.065) 2.082 ======================= Grid point 93 (46/84) ======================= q-point: ( 0.33 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 0.846 0.000 -3.577) 3.676 0.639 ( 1.997 0.000 -3.303) 3.860 0.657 ( -0.814 0.000 -3.026) 3.133 0.664 ( 0.527 0.000 -0.536) 0.752 0.705 ( 2.025 0.000 0.800) 2.177 0.830 ( 1.809 0.000 0.024) 1.809 0.922 ( 1.234 0.000 1.693) 2.095 0.927 ( -2.677 0.000 1.710) 3.176 0.985 ( 1.269 0.000 -1.375) 1.871 0.997 ( 5.452 0.000 0.736) 5.501 1.043 ( 4.240 0.000 2.582) 4.965 1.135 ( 1.507 0.000 0.698) 1.661 1.251 ( -4.054 0.000 0.131) 4.056 1.253 ( 0.259 0.000 -4.542) 4.549 1.424 ( -4.777 0.000 1.089) 4.900 1.573 ( -0.361 0.000 3.616) 3.634 1.599 ( 7.070 0.000 1.491) 7.226 1.653 ( 3.684 0.000 -4.438) 5.768 1.658 ( 6.562 0.000 -1.710) 6.781 1.756 ( -0.687 0.000 0.524) 0.864 1.758 ( 0.573 0.000 0.675) 0.885 1.853 ( 4.348 0.000 -1.591) 4.630 1.886 ( -0.244 0.000 -2.378) 2.390 2.015 ( 2.092 0.000 0.567) 2.167 2.054 ( 0.422 0.000 0.771) 0.879 2.185 ( -2.719 0.000 0.435) 2.753 2.248 ( 3.915 0.000 0.356) 3.931 2.285 ( 1.950 0.000 -2.396) 3.089 2.405 ( 0.711 0.000 -0.610) 0.937 2.424 ( 1.988 0.000 -3.007) 3.605 2.533 ( 2.900 0.000 -4.048) 4.979 2.546 ( 3.759 0.000 -2.136) 4.324 2.677 ( -2.492 0.000 0.886) 2.645 2.753 ( -3.643 0.000 1.030) 3.786 2.911 ( -2.815 0.000 0.284) 2.830 2.934 ( 1.211 0.000 -2.689) 2.949 3.186 ( 2.144 0.000 0.248) 2.159 3.201 ( -0.216 0.000 0.496) 0.541 3.632 ( 1.210 0.000 -6.029) 6.149 3.648 ( -4.243 0.000 2.101) 4.735 3.731 ( 0.623 0.000 3.389) 3.446 3.807 ( 2.728 0.000 -0.247) 2.740 4.083 ( -0.373 0.000 1.478) 1.524 4.206 ( -3.082 0.000 4.465) 5.425 4.618 ( -2.967 0.000 1.959) 3.556 4.642 ( -3.231 0.000 1.920) 3.759 5.050 ( -2.756 0.000 4.640) 5.397 5.178 ( 1.711 0.000 -0.863) 1.916 5.347 ( 1.323 0.000 -2.870) 3.160 5.403 ( -0.372 0.000 -1.180) 1.237 6.022 ( 0.213 0.000 -1.335) 1.352 6.048 ( -0.423 0.000 -0.786) 0.892 6.561 ( -0.024 0.000 -0.872) 0.873 6.571 ( -0.128 0.000 -0.541) 0.556 6.598 ( -0.339 0.000 0.633) 0.718 6.603 ( -0.003 0.000 0.682) 0.682 7.134 ( -1.045 0.000 0.422) 1.127 7.137 ( -0.390 0.000 -0.668) 0.774 7.177 ( -0.277 0.000 0.752) 0.801 7.195 ( 0.892 0.000 -0.358) 0.962 8.234 ( -4.514 0.000 1.274) 4.691 8.340 ( -2.199 0.000 -1.714) 2.788 12.167 ( 2.082 0.000 0.913) 2.274 12.264 ( 2.951 0.000 1.097) 3.148 12.384 ( -1.732 0.000 1.787) 2.488 12.388 ( 0.054 0.000 -1.192) 1.193 12.987 ( -1.975 0.000 -0.925) 2.181 13.050 ( -0.919 0.000 -0.824) 1.234 13.154 ( -0.946 0.000 -3.026) 3.170 13.230 ( -6.734 0.000 4.151) 7.911 13.769 ( -3.748 0.000 2.256) 4.375 13.855 ( 0.269 0.000 -2.192) 2.209 ======================= Grid point 94 (47/84) ======================= q-point: ( 0.44 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 0.535 0.000 -3.912) 3.949 0.575 ( -1.396 0.000 -4.702) 4.905 0.639 ( 1.203 0.000 -1.872) 2.226 0.658 ( -0.054 0.000 -0.998) 1.000 0.761 ( 3.376 0.000 1.114) 3.555 0.836 ( -2.269 0.000 0.769) 2.396 0.912 ( -2.086 0.000 1.502) 2.570 0.948 ( 1.873 0.000 -0.954) 2.102 0.989 ( 0.653 0.000 0.441) 0.788 1.084 ( -3.410 0.000 -1.897) 3.902 1.117 ( 4.037 0.000 3.293) 5.210 1.138 ( -1.320 0.000 1.322) 1.868 1.219 ( 4.360 0.000 -4.330) 6.145 1.219 ( -0.006 0.000 0.096) 0.096 1.382 ( -2.536 0.000 3.218) 4.097 1.551 ( -5.607 0.000 0.583) 5.637 1.652 ( -1.192 0.000 -0.018) 1.192 1.685 ( 6.325 0.000 -2.675) 6.867 1.710 ( 0.390 0.000 -1.635) 1.680 1.744 ( 0.866 0.000 -0.196) 0.887 1.775 ( 0.660 0.000 0.319) 0.734 1.853 ( 4.057 0.000 -6.744) 7.870 1.905 ( 2.429 0.000 2.174) 3.259 2.054 ( 1.544 0.000 0.977) 1.827 2.065 ( -0.776 0.000 1.224) 1.450 2.137 ( -2.031 0.000 -2.336) 3.096 2.280 ( -0.530 0.000 -0.647) 0.837 2.296 ( 1.532 0.000 0.192) 1.544 2.394 ( -3.187 0.000 1.588) 3.561 2.421 ( 2.048 0.000 -2.186) 2.995 2.536 ( 6.296 0.000 -5.846) 8.592 2.552 ( 1.875 0.000 -3.379) 3.865 2.656 ( -1.192 0.000 0.694) 1.379 2.709 ( -2.387 0.000 -0.196) 2.395 2.879 ( -2.112 0.000 0.998) 2.336 2.937 ( 2.074 0.000 -1.013) 2.308 3.193 ( -1.102 0.000 0.276) 1.136 3.220 ( 1.143 0.000 0.649) 1.314 3.592 ( 2.914 0.000 -4.057) 4.995 3.596 ( -5.780 0.000 1.676) 6.019 3.793 ( 1.993 0.000 2.234) 2.994 3.835 ( 0.978 0.000 -0.269) 1.014 4.117 ( 0.918 0.000 2.787) 2.934 4.208 ( -2.754 0.000 2.567) 3.765 4.618 ( -0.960 0.000 2.571) 2.745 4.635 ( -1.440 0.000 2.365) 2.769 5.077 ( -2.605 0.000 5.522) 6.105 5.202 ( 1.775 0.000 0.511) 1.847 5.328 ( 1.579 0.000 -3.448) 3.793 5.365 ( -1.102 0.000 -2.670) 2.888 6.012 ( 0.731 0.000 -1.161) 1.371 6.029 ( -0.309 0.000 -1.199) 1.238 6.552 ( 0.029 0.000 -0.571) 0.572 6.561 ( -0.121 0.000 -0.601) 0.613 6.603 ( -0.193 0.000 0.666) 0.693 6.611 ( -0.027 0.000 0.506) 0.507 7.122 ( -0.324 0.000 -0.621) 0.700 7.122 ( -0.820 0.000 -0.004) 0.820 7.182 ( -0.438 0.000 0.817) 0.927 7.207 ( 1.050 0.000 -0.215) 1.072 8.198 ( -2.446 0.000 1.478) 2.858 8.292 ( -0.407 0.000 -2.226) 2.263 12.213 ( 1.801 0.000 1.738) 2.503 12.304 ( -0.096 0.000 0.633) 0.640 12.371 ( -2.492 0.000 1.069) 2.711 12.378 ( 1.255 0.000 -1.088) 1.661 12.952 ( -1.026 0.000 -0.704) 1.244 13.002 ( -1.154 0.000 -2.418) 2.679 13.164 ( 3.581 0.000 -0.099) 3.582 13.180 ( -5.343 0.000 2.472) 5.887 13.750 ( -2.767 0.000 2.313) 3.606 13.840 ( 1.494 0.000 -2.139) 2.610 ======================= Grid point 95 (48/84) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( -0.888 0.000 -3.382) 3.497 0.520 ( 1.723 0.000 -2.266) 2.846 0.630 ( -1.950 0.000 -1.313) 2.351 0.630 ( -0.336 0.000 -0.482) 0.588 0.784 ( -4.426 0.000 -0.172) 4.429 0.830 ( 2.786 0.000 1.881) 3.361 0.902 ( -0.887 0.000 0.477) 1.007 0.954 ( -8.683 0.000 -1.269) 8.775 0.959 ( 1.726 0.000 -1.202) 2.103 1.025 ( 2.371 0.000 1.347) 2.727 1.106 ( -3.759 0.000 -0.573) 3.802 1.149 ( -1.576 0.000 1.070) 1.905 1.198 ( -3.480 0.000 0.368) 3.499 1.290 ( 6.910 0.000 -2.733) 7.431 1.443 ( 1.685 0.000 5.098) 5.369 1.449 ( -7.412 0.000 0.977) 7.476 1.582 ( -7.601 0.000 1.249) 7.703 1.652 ( -2.309 0.000 -2.815) 3.641 1.738 ( -0.955 0.000 -1.897) 2.124 1.759 ( -2.214 0.000 -1.362) 2.599 1.780 ( 8.625 0.000 -1.160) 8.703 1.842 ( 3.709 0.000 -4.362) 5.726 1.976 ( 1.141 0.000 2.653) 2.888 2.050 ( -3.103 0.000 -2.021) 3.703 2.068 ( -0.236 0.000 1.291) 1.312 2.094 ( 1.127 0.000 -0.799) 1.381 2.252 ( -4.138 0.000 2.580) 4.876 2.291 ( -1.541 0.000 -0.887) 1.778 2.363 ( -3.013 0.000 1.185) 3.238 2.430 ( 1.445 0.000 -0.729) 1.618 2.519 ( 0.456 0.000 -3.578) 3.607 2.537 ( 2.426 0.000 -4.325) 4.959 2.685 ( 4.471 0.000 -0.448) 4.493 2.691 ( 0.588 0.000 -0.425) 0.726 2.876 ( -0.913 0.000 1.819) 2.036 2.958 ( 2.477 0.000 -1.487) 2.889 3.192 ( -0.314 0.000 1.578) 1.609 3.235 ( 0.925 0.000 -0.437) 1.023 3.524 ( -5.797 0.000 0.849) 5.859 3.620 ( 4.959 0.000 -1.057) 5.071 3.824 ( -1.895 0.000 -0.470) 1.952 3.827 ( -0.311 0.000 0.484) 0.575 4.185 ( 2.964 0.000 3.203) 4.364 4.195 ( -1.207 0.000 0.256) 1.234 4.653 ( 1.415 0.000 1.978) 2.432 4.655 ( 0.710 0.000 1.310) 1.490 5.112 ( -2.742 0.000 5.781) 6.398 5.242 ( 1.646 0.000 1.403) 2.163 5.304 ( -0.597 0.000 -3.345) 3.398 5.304 ( 0.381 0.000 -3.486) 3.507 6.011 ( 0.094 0.000 -1.143) 1.147 6.014 ( 1.154 0.000 -0.770) 1.387 6.548 ( 0.128 0.000 -0.158) 0.203 6.553 ( -0.066 0.000 -0.486) 0.490 6.609 ( 0.019 0.000 0.579) 0.580 6.615 ( -0.004 0.000 0.167) 0.167 7.112 ( -0.590 0.000 0.083) 0.596 7.113 ( -0.164 0.000 -0.143) 0.217 7.185 ( -0.546 0.000 0.632) 0.835 7.219 ( 1.146 0.000 -0.486) 1.245 8.202 ( 0.131 0.000 1.738) 1.743 8.276 ( 2.157 0.000 -2.164) 3.055 12.266 ( 1.368 0.000 2.748) 3.070 12.274 ( -2.807 0.000 -0.814) 2.922 12.339 ( -2.952 0.000 0.449) 2.986 12.403 ( 2.685 0.000 -0.445) 2.722 12.944 ( 0.695 0.000 0.051) 0.697 12.974 ( 0.809 0.000 -1.510) 1.713 13.138 ( -3.431 0.000 1.331) 3.681 13.232 ( 5.594 0.000 -0.509) 5.617 13.749 ( -1.224 0.000 2.198) 2.516 13.845 ( 2.743 0.000 -2.097) 3.453 ======================= Grid point 96 (49/84) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( -1.768 0.000 -0.022) 1.769 0.527 ( -2.264 0.000 0.550) 2.330 0.576 ( -0.631 0.000 -0.325) 0.709 0.617 ( -1.650 0.000 0.790) 1.830 0.721 ( -3.209 0.000 -0.191) 3.214 0.813 ( -9.816 0.000 4.137) 10.652 0.877 ( -2.574 0.000 2.103) 3.324 0.925 ( 3.730 0.000 0.413) 3.752 0.970 ( 1.292 0.000 -0.637) 1.441 1.024 ( -6.989 0.000 -0.209) 6.993 1.078 ( 0.554 0.000 1.081) 1.215 1.108 ( -5.999 0.000 -1.703) 6.236 1.124 ( -3.176 0.000 1.495) 3.511 1.261 ( -3.480 0.000 -1.744) 3.892 1.437 ( 2.503 0.000 0.694) 2.597 1.491 ( -6.434 0.000 2.964) 7.083 1.538 ( -1.104 0.000 6.904) 6.992 1.590 ( -0.971 0.000 -2.310) 2.506 1.673 ( -5.307 0.000 -2.215) 5.751 1.678 ( -3.599 0.000 -1.866) 4.055 1.828 ( 0.297 0.000 -2.645) 2.662 1.889 ( 6.944 0.000 -1.670) 7.142 1.971 ( -3.883 0.000 1.177) 4.058 1.980 ( 0.171 0.000 -3.524) 3.528 2.095 ( -0.391 0.000 -0.610) 0.725 2.100 ( 0.657 0.000 1.184) 1.354 2.236 ( -3.436 0.000 -1.365) 3.697 2.254 ( -1.390 0.000 4.461) 4.673 2.347 ( -2.053 0.000 3.088) 3.708 2.420 ( -2.351 0.000 0.086) 2.353 2.508 ( 1.496 0.000 -4.572) 4.811 2.510 ( 4.180 0.000 -2.566) 4.905 2.707 ( 1.392 0.000 0.207) 1.407 2.750 ( 4.489 0.000 -0.791) 4.558 2.889 ( -0.180 0.000 1.133) 1.147 2.969 ( 2.252 0.000 -1.995) 3.009 3.220 ( 0.725 0.000 1.093) 1.312 3.242 ( 1.331 0.000 -1.234) 1.815 3.455 ( -4.989 0.000 1.965) 5.362 3.700 ( 5.809 0.000 0.316) 5.818 3.768 ( -4.258 0.000 -0.629) 4.304 3.799 ( -3.109 0.000 -0.180) 3.114 4.183 ( 0.766 0.000 -1.584) 1.760 4.277 ( 4.364 0.000 1.619) 4.654 4.685 ( 2.170 0.000 -0.280) 2.188 4.704 ( 2.978 0.000 0.401) 3.004 5.138 ( -3.136 0.000 4.482) 5.470 5.241 ( -1.827 0.000 -1.618) 2.441 5.258 ( 1.873 0.000 -4.160) 4.562 5.306 ( 0.836 0.000 2.216) 2.368 6.003 ( 0.560 0.000 -0.729) 0.919 6.026 ( 1.320 0.000 -0.246) 1.343 6.548 ( 0.020 0.000 -0.195) 0.196 6.551 ( 0.161 0.000 0.214) 0.268 6.616 ( 0.109 0.000 -0.119) 0.162 6.617 ( 0.151 0.000 0.201) 0.252 7.108 ( -0.447 0.000 0.496) 0.667 7.114 ( 0.043 0.000 0.529) 0.531 7.182 ( -0.587 0.000 0.364) 0.691 7.227 ( 1.166 0.000 -0.917) 1.483 8.246 ( 2.050 0.000 2.243) 3.039 8.299 ( 4.137 0.000 -1.805) 4.514 12.216 ( -2.919 0.000 -1.146) 3.136 12.295 ( -3.370 0.000 0.550) 3.414 12.327 ( 1.629 0.000 2.434) 2.929 12.434 ( 2.183 0.000 -0.583) 2.259 12.975 ( 2.393 0.000 1.125) 2.644 12.982 ( 1.889 0.000 -0.698) 2.014 13.111 ( -1.740 0.000 0.559) 1.827 13.312 ( 6.186 0.000 -0.950) 6.259 13.769 ( 0.334 0.000 1.890) 1.919 13.865 ( 3.512 0.000 -2.107) 4.096 ======================= Grid point 97 (50/84) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( -6.229 0.000 3.907) 7.353 0.462 ( -7.840 0.000 5.255) 9.438 0.605 ( -2.182 0.000 2.185) 3.088 0.622 ( 2.685 0.000 1.588) 3.120 0.683 ( -1.670 0.000 -0.005) 1.670 0.733 ( -8.309 0.000 3.566) 9.042 0.855 ( -3.549 0.000 1.406) 3.817 0.891 ( -10.604 0.000 5.955) 12.162 0.973 ( -1.221 0.000 -0.223) 1.242 0.981 ( -0.672 0.000 0.808) 1.051 1.018 ( -4.462 0.000 -0.273) 4.470 1.071 ( 1.817 0.000 3.330) 3.794 1.127 ( -0.160 0.000 -0.139) 0.212 1.237 ( -0.725 0.000 2.363) 2.472 1.441 ( -7.961 0.000 5.351) 9.592 1.467 ( -0.212 0.000 0.041) 0.215 1.532 ( -5.811 0.000 -1.992) 6.143 1.558 ( -3.653 0.000 -1.606) 3.991 1.598 ( 1.578 0.000 -2.990) 3.380 1.616 ( -1.884 0.000 3.397) 3.884 1.788 ( -1.957 0.000 -1.060) 2.226 1.914 ( 1.572 0.000 -1.972) 2.523 1.932 ( -3.288 0.000 2.178) 3.944 1.989 ( 5.577 0.000 -4.281) 7.031 2.056 ( -2.530 0.000 -2.187) 3.344 2.113 ( -0.783 0.000 1.607) 1.788 2.164 ( -3.202 0.000 -1.312) 3.460 2.283 ( -2.258 0.000 3.501) 4.166 2.386 ( -1.758 0.000 0.005) 1.758 2.395 ( 0.645 0.000 4.239) 4.288 2.462 ( 2.799 0.000 -6.878) 7.425 2.557 ( 4.477 0.000 -0.922) 4.571 2.727 ( 0.632 0.000 0.145) 0.649 2.790 ( 1.468 0.000 0.038) 1.468 2.894 ( -0.237 0.000 -0.129) 0.270 2.981 ( 2.255 0.000 -1.214) 2.561 3.211 ( -0.566 0.000 -2.539) 2.601 3.236 ( 0.454 0.000 -1.915) 1.968 3.452 ( -2.069 0.000 5.659) 6.026 3.687 ( -4.268 0.000 -1.154) 4.421 3.743 ( -3.915 0.000 0.157) 3.918 3.793 ( 4.928 0.000 0.648) 4.970 4.175 ( 2.158 0.000 -2.870) 3.591 4.341 ( 3.486 0.000 -1.319) 3.727 4.711 ( 2.593 0.000 -1.281) 2.892 4.744 ( 2.941 0.000 -1.352) 3.237 5.122 ( -3.264 0.000 0.986) 3.410 5.224 ( 1.933 0.000 -4.843) 5.214 5.228 ( -1.355 0.000 2.990) 3.283 5.353 ( 0.454 0.000 2.900) 2.935 6.008 ( 0.858 0.000 -0.188) 0.878 6.045 ( 1.150 0.000 0.158) 1.161 6.548 ( 0.087 0.000 0.185) 0.204 6.558 ( 0.111 0.000 0.476) 0.489 6.615 ( -0.247 0.000 -0.526) 0.581 6.616 ( 0.177 0.000 -0.324) 0.370 7.111 ( -0.441 0.000 1.005) 1.098 7.128 ( 0.410 0.000 1.062) 1.139 7.177 ( -0.503 0.000 0.129) 0.519 7.230 ( 1.116 0.000 -1.360) 1.759 8.318 ( 2.941 0.000 2.816) 4.072 8.346 ( 4.645 0.000 -1.402) 4.852 12.162 ( -2.184 0.000 -1.001) 2.403 12.248 ( -2.873 0.000 -0.512) 2.918 12.364 ( 0.043 0.000 -0.062) 0.075 12.451 ( 1.479 0.000 -1.028) 1.801 13.007 ( 1.847 0.000 0.139) 1.852 13.037 ( 2.639 0.000 1.773) 3.179 13.103 ( -0.202 0.000 0.906) 0.928 13.403 ( 6.926 0.000 0.221) 6.929 13.803 ( 1.026 0.000 1.558) 1.865 13.891 ( 3.531 0.000 -2.124) 4.120 ======================= Grid point 98 (51/84) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( -7.265 0.000 8.414) 11.116 0.471 ( -3.689 0.000 9.294) 9.999 0.605 ( -2.045 0.000 1.669) 2.640 0.652 ( -0.299 0.000 0.088) 0.311 0.690 ( 0.825 0.000 2.037) 2.198 0.728 ( -2.324 0.000 8.946) 9.243 0.824 ( -3.622 0.000 2.379) 4.333 0.857 ( -1.622 0.000 2.333) 2.841 0.911 ( -3.810 0.000 -0.351) 3.826 0.964 ( -0.322 0.000 -0.695) 0.766 1.006 ( 0.234 0.000 0.512) 0.563 1.110 ( 0.029 0.000 -1.706) 1.706 1.207 ( 3.806 0.000 8.185) 9.026 1.270 ( -0.945 0.000 4.268) 4.371 1.363 ( -8.497 0.000 0.144) 8.498 1.403 ( -5.211 0.000 -3.092) 6.059 1.418 ( -9.739 0.000 5.370) 11.121 1.477 ( -0.870 0.000 -2.447) 2.597 1.606 ( -2.931 0.000 1.035) 3.108 1.628 ( 3.485 0.000 -1.774) 3.911 1.760 ( -0.301 0.000 -0.011) 0.302 1.910 ( -0.929 0.000 -0.264) 0.966 1.935 ( -1.809 0.000 3.843) 4.248 1.965 ( 0.387 0.000 -5.450) 5.464 2.030 ( 3.689 0.000 -0.568) 3.732 2.118 ( -2.349 0.000 0.673) 2.444 2.121 ( -0.857 0.000 1.263) 1.526 2.289 ( -3.095 0.000 3.875) 4.959 2.370 ( -0.284 0.000 -0.221) 0.360 2.382 ( -2.410 0.000 -2.009) 3.137 2.473 ( 6.700 0.000 -4.810) 8.248 2.597 ( 2.113 0.000 -1.471) 2.574 2.735 ( 0.120 0.000 1.357) 1.363 2.800 ( -0.780 0.000 1.051) 1.308 2.882 ( -0.797 0.000 -0.089) 0.802 3.009 ( 2.009 0.000 0.743) 2.142 3.160 ( -0.348 0.000 -3.677) 3.693 3.211 ( -0.569 0.000 -1.241) 1.365 3.513 ( -1.231 0.000 6.689) 6.802 3.622 ( -2.557 0.000 -0.456) 2.598 3.695 ( -2.971 0.000 0.636) 3.038 3.852 ( 2.998 0.000 -0.937) 3.141 4.176 ( 2.847 0.000 -2.797) 3.991 4.341 ( 1.253 0.000 -4.128) 4.314 4.728 ( 1.955 0.000 -1.397) 2.403 4.757 ( 1.627 0.000 -1.796) 2.423 5.087 ( -3.088 0.000 1.183) 3.307 5.196 ( 2.179 0.000 -4.140) 4.678 5.261 ( -0.664 0.000 4.089) 4.142 5.388 ( -0.084 0.000 1.846) 1.848 6.023 ( 0.896 0.000 0.316) 0.950 6.062 ( 0.694 0.000 0.137) 0.708 6.554 ( 0.073 0.000 0.489) 0.494 6.566 ( 0.028 0.000 0.616) 0.617 6.601 ( -0.541 0.000 -0.090) 0.548 6.613 ( 0.116 0.000 -0.468) 0.482 7.120 ( -0.591 0.000 1.425) 1.543 7.147 ( 0.293 0.000 0.601) 0.668 7.172 ( -0.284 0.000 -0.010) 0.284 7.225 ( 0.993 0.000 -1.731) 1.996 8.388 ( 1.750 0.000 1.371) 2.223 8.394 ( 3.618 0.000 -1.005) 3.755 12.127 ( -0.800 0.000 -0.760) 1.103 12.183 ( -3.488 0.000 -2.209) 4.129 12.330 ( -3.434 0.000 1.255) 3.656 12.452 ( 0.938 0.000 -1.607) 1.861 13.036 ( 1.027 0.000 0.629) 1.204 13.070 ( 0.457 0.000 -0.032) 0.458 13.149 ( 1.218 0.000 4.184) 4.358 13.503 ( 6.992 0.000 -3.517) 7.827 13.839 ( 0.715 0.000 1.605) 1.757 13.913 ( 2.834 0.000 -2.054) 3.500 ======================= Grid point 99 (52/84) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 1.423 3.736 5.600) 6.881 0.556 ( -0.096 1.048 7.121) 7.199 0.616 ( -0.960 1.173 1.720) 2.293 0.666 ( 0.105 1.485 -0.462) 1.559 0.721 ( -0.576 0.053 3.389) 3.438 0.802 ( 0.286 1.512 -0.578) 1.644 0.835 ( -1.638 0.108 1.853) 2.476 0.882 ( 0.846 0.688 3.365) 3.538 0.910 ( 1.013 1.609 -2.303) 2.987 0.982 ( 1.320 -0.721 0.952) 1.780 1.010 ( 0.958 0.684 0.604) 1.323 1.065 ( -0.495 -1.273 -3.171) 3.452 1.133 ( -4.432 -2.930 3.999) 6.650 1.273 ( -4.341 -0.789 2.311) 4.981 1.297 ( 3.173 -2.036 -3.531) 5.166 1.387 ( 0.332 -1.427 1.775) 2.301 1.437 ( 1.306 1.439 -1.109) 2.237 1.549 ( 3.648 -4.134 -2.624) 6.106 1.566 ( -2.751 6.116 4.400) 8.021 1.645 ( -1.257 1.288 2.495) 3.077 1.703 ( 0.915 -4.137 -1.235) 4.413 1.839 ( 1.423 -2.506 -6.742) 7.332 1.923 ( -1.682 1.819 2.447) 3.482 1.993 ( -0.333 1.631 2.743) 3.208 2.067 ( -0.503 -1.150 1.274) 1.788 2.101 ( 2.843 0.823 0.034) 2.960 2.225 ( -1.630 4.966 3.078) 6.066 2.321 ( -3.406 1.139 0.721) 3.663 2.330 ( -0.595 0.890 4.454) 4.580 2.380 ( -0.024 0.376 0.772) 0.859 2.483 ( 3.993 -1.164 -3.811) 5.641 2.599 ( 2.708 2.276 -3.904) 5.268 2.740 ( -0.986 -2.730 2.639) 3.923 2.794 ( -0.462 -1.161 0.864) 1.519 2.895 ( -0.254 1.515 0.725) 1.699 3.058 ( 2.493 -1.069 -0.466) 2.752 3.089 ( -1.728 -0.739 -1.933) 2.696 3.172 ( 0.045 -1.560 -1.390) 2.090 3.563 ( -2.368 -0.392 4.803) 5.369 3.621 ( 0.973 0.801 0.626) 1.407 3.670 ( -0.682 0.064 1.089) 1.286 3.830 ( 1.317 -2.809 -1.952) 3.665 4.174 ( 1.160 -0.419 -1.950) 2.307 4.249 ( -0.878 -2.306 -4.524) 5.153 4.716 ( -0.717 -1.239 -2.012) 2.470 4.728 ( 0.624 -1.350 -2.317) 2.754 5.072 ( -2.011 1.096 1.444) 2.707 5.159 ( 1.882 -1.505 -2.285) 3.321 5.338 ( -0.088 1.714 3.113) 3.555 5.405 ( -0.448 0.333 0.338) 0.652 6.045 ( -0.122 0.396 0.608) 0.736 6.071 ( 0.626 0.245 -0.275) 0.726 6.566 ( 0.069 0.210 0.599) 0.639 6.574 ( 0.011 -0.016 0.496) 0.496 6.602 ( -0.118 0.198 0.049) 0.236 6.610 ( 0.060 0.216 -0.621) 0.660 7.125 ( -0.508 -0.193 1.321) 1.428 7.146 ( -0.087 -0.461 0.496) 0.683 7.178 ( -0.307 0.708 0.002) 0.772 7.214 ( 0.611 -0.140 -1.562) 1.683 8.382 ( -1.003 -0.503 0.802) 1.379 8.429 ( 0.742 -0.181 -1.382) 1.579 12.126 ( -1.037 0.597 -0.473) 1.286 12.130 ( 0.445 0.786 -0.610) 1.090 12.322 ( -1.183 -0.152 2.904) 3.140 12.418 ( 0.704 -1.836 -1.745) 2.629 13.067 ( -0.903 1.689 1.438) 2.395 13.121 ( 0.664 4.137 -1.060) 4.322 13.208 ( -1.087 -1.013 5.454) 5.653 13.450 ( 1.196 -3.566 -5.219) 6.433 13.836 ( -1.115 -1.238 1.431) 2.196 13.895 ( 1.264 -2.199 -1.339) 2.869 ======================= Grid point 100 (53/84) ======================= q-point: ( 0.11 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 0.781 1.634 1.347) 2.257 0.624 ( 0.687 1.007 1.893) 2.251 0.635 ( 0.414 0.488 1.724) 1.839 0.668 ( 0.891 1.767 0.177) 1.987 0.751 ( -0.664 0.222 1.669) 1.810 0.791 ( 0.625 1.528 -0.635) 1.769 0.847 ( 1.119 -1.156 0.369) 1.650 0.898 ( 1.870 0.304 -1.665) 2.522 0.959 ( -1.526 0.095 -0.475) 1.601 0.985 ( 1.451 -1.250 1.363) 2.351 0.997 ( 0.768 -0.523 -0.832) 1.247 1.057 ( -0.507 -0.698 -1.268) 1.533 1.143 ( 3.653 0.020 4.013) 5.427 1.283 ( -1.449 -3.363 4.230) 5.594 1.356 ( 7.505 -1.117 -1.577) 7.750 1.392 ( 1.438 0.075 -1.305) 1.943 1.469 ( 0.913 1.909 0.714) 2.234 1.566 ( 5.950 -4.824 -6.510) 10.052 1.592 ( -2.177 0.960 5.285) 5.796 1.661 ( 0.301 -0.220 2.335) 2.365 1.704 ( 1.963 -2.214 -1.545) 3.339 1.797 ( 2.413 0.635 -4.145) 4.838 1.938 ( -1.174 0.754 3.112) 3.411 2.015 ( 0.803 0.297 -0.555) 1.020 2.064 ( -1.195 2.593 0.940) 3.006 2.142 ( 3.448 -0.052 -1.298) 3.685 2.235 ( -2.768 3.491 3.204) 5.487 2.303 ( -2.139 1.120 2.616) 3.560 2.385 ( 1.643 -0.471 0.761) 1.870 2.413 ( -0.752 0.561 5.269) 5.352 2.448 ( 2.182 -0.814 -6.799) 7.187 2.605 ( 6.079 5.897 -5.085) 9.879 2.744 ( -2.906 -3.929 2.076) 5.310 2.783 ( -1.057 -0.161 -0.513) 1.186 2.924 ( -0.686 0.545 3.933) 4.030 3.008 ( -0.217 -2.108 -5.022) 5.451 3.120 ( 1.234 -0.969 2.502) 2.953 3.159 ( 1.267 -0.859 -1.792) 2.357 3.600 ( -0.675 -1.265 4.386) 4.615 3.648 ( 2.365 -0.160 -0.866) 2.524 3.690 ( -0.274 1.381 2.505) 2.874 3.809 ( 1.001 -1.793 -3.597) 4.141 4.155 ( -2.063 -1.253 -1.260) 2.723 4.178 ( -1.081 -0.798 -1.781) 2.231 4.669 ( -2.584 -1.817 -0.700) 3.236 4.711 ( -0.384 -1.153 -0.947) 1.541 5.061 ( -2.458 1.417 1.996) 3.469 5.156 ( 1.605 -1.376 -2.164) 3.025 5.375 ( -0.144 0.589 1.911) 2.005 5.397 ( -0.030 0.553 -0.210) 0.593 6.043 ( -0.841 -0.151 0.332) 0.917 6.072 ( 0.286 0.393 -0.560) 0.741 6.573 ( -0.056 0.046 0.413) 0.419 6.577 ( -0.055 -0.056 0.033) 0.085 6.600 ( -0.205 0.154 0.104) 0.276 6.603 ( -0.139 0.187 -0.336) 0.408 7.133 ( -0.680 -0.219 1.120) 1.329 7.149 ( -0.182 -0.325 0.292) 0.473 7.175 ( -0.267 0.572 0.221) 0.669 7.203 ( 0.470 -0.006 -1.346) 1.426 8.355 ( -3.725 0.064 0.806) 3.812 8.413 ( -0.865 -0.940 -0.823) 1.520 12.117 ( 0.646 0.851 -0.086) 1.072 12.153 ( 2.546 0.429 -0.014) 2.582 12.346 ( -0.561 -0.388 2.559) 2.648 12.404 ( 0.729 -1.330 -1.925) 2.450 13.063 ( -1.995 1.794 1.434) 3.042 13.111 ( -0.092 3.790 -1.099) 3.948 13.246 ( -3.890 -1.474 5.937) 7.250 13.367 ( -1.962 -2.144 -5.935) 6.608 13.826 ( -2.528 -0.582 1.385) 2.941 13.889 ( 0.351 -1.879 -1.440) 2.393 ======================= Grid point 101 (54/84) ======================= q-point: ( 0.22 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 1.354 0.799 -1.909) 2.473 0.641 ( 0.739 0.988 -0.975) 1.573 0.668 ( 1.418 1.044 0.280) 1.783 0.678 ( 0.566 0.974 -0.346) 1.178 0.728 ( -1.009 0.831 -2.138) 2.506 0.814 ( 1.614 0.702 0.477) 1.823 0.878 ( 0.095 -1.015 2.925) 3.098 0.899 ( -1.294 -0.887 -1.360) 2.076 0.936 ( 2.966 -0.622 0.029) 3.030 0.983 ( 2.205 0.477 -1.337) 2.622 1.033 ( 0.632 1.416 -0.384) 1.597 1.070 ( 2.820 -0.824 1.340) 3.229 1.256 ( 2.452 -0.468 1.984) 3.188 1.309 ( -0.690 -4.046 1.158) 4.265 1.395 ( -0.649 2.071 0.100) 2.172 1.451 ( 5.885 -0.405 -0.486) 5.919 1.507 ( 7.509 0.122 -0.280) 7.515 1.545 ( 3.041 -6.711 -6.310) 9.701 1.648 ( 1.860 -1.060 2.944) 3.639 1.714 ( -0.386 -0.555 4.115) 4.170 1.743 ( 5.121 -0.638 -0.919) 5.241 1.788 ( 2.167 1.030 -2.383) 3.381 1.963 ( -0.853 1.030 2.652) 2.970 2.000 ( -0.146 1.953 -1.746) 2.624 2.063 ( 0.286 2.682 0.018) 2.697 2.157 ( 2.052 -4.177 -3.958) 6.109 2.232 ( -2.643 3.816 3.524) 5.829 2.310 ( -0.275 1.876 0.422) 1.942 2.390 ( 3.491 -1.012 -4.651) 5.903 2.393 ( -0.409 -2.493 -1.408) 2.893 2.497 ( 0.817 0.829 5.182) 5.311 2.644 ( 6.981 7.314 -4.874) 11.224 2.707 ( -4.063 -3.274 0.963) 5.306 2.756 ( -1.831 -0.395 -0.116) 1.877 2.944 ( -1.996 -0.402 0.261) 2.052 2.954 ( 0.228 -0.539 -1.610) 1.713 3.155 ( 2.142 -0.454 -0.353) 2.218 3.181 ( 1.811 -0.064 0.833) 1.994 3.638 ( -0.673 -1.641 1.508) 2.328 3.657 ( -0.429 -0.755 -0.236) 0.900 3.719 ( 1.330 1.523 0.908) 2.217 3.787 ( 2.726 -0.116 -2.968) 4.032 4.097 ( -2.371 -0.197 -0.523) 2.436 4.173 ( -2.058 -1.440 3.357) 4.193 4.631 ( -2.745 -0.796 1.320) 3.148 4.688 ( -2.106 -0.040 0.458) 2.156 5.053 ( -2.476 1.128 2.584) 3.753 5.152 ( 1.434 -1.594 -1.808) 2.805 5.370 ( 0.050 0.609 -1.341) 1.474 5.410 ( 0.101 0.128 0.719) 0.737 6.030 ( -0.839 -0.320 -0.314) 0.951 6.065 ( -0.304 0.068 -0.594) 0.671 6.572 ( -0.110 -0.122 -0.575) 0.598 6.573 ( -0.224 -0.258 -0.115) 0.361 6.598 ( -0.285 0.218 0.251) 0.438 6.601 ( -0.123 0.231 0.315) 0.410 7.133 ( -0.777 -0.356 0.529) 1.005 7.147 ( -0.149 -0.402 -0.413) 0.596 7.177 ( -0.317 0.522 0.720) 0.944 7.196 ( 0.425 0.184 -0.623) 0.776 8.301 ( -4.677 0.615 0.914) 4.805 8.380 ( -2.253 -1.045 -0.555) 2.545 12.138 ( 1.695 0.868 0.373) 1.940 12.202 ( 3.240 -0.022 0.648) 3.305 12.366 ( -0.645 -0.727 1.787) 2.034 12.392 ( 0.688 -0.880 -1.568) 1.925 13.044 ( -2.484 1.758 0.596) 3.101 13.092 ( -0.613 2.812 -0.805) 2.988 13.235 ( -4.925 -1.714 0.203) 5.219 13.262 ( -3.975 -0.627 -0.143) 4.027 13.801 ( -3.078 0.088 1.426) 3.393 13.870 ( -0.089 -1.302 -1.661) 2.113 ======================= Grid point 102 (55/84) ======================= q-point: ( 0.33 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 0.252 0.391 -3.789) 3.817 0.639 ( 1.934 -0.463 -2.067) 2.868 0.651 ( -0.014 0.024 -4.059) 4.059 0.671 ( -0.330 1.160 -1.386) 1.838 0.716 ( 1.748 0.500 0.342) 1.850 0.843 ( 0.803 1.055 0.297) 1.359 0.871 ( -1.405 -3.475 1.223) 3.943 0.913 ( -0.633 -0.983 2.614) 2.864 0.994 ( 1.634 0.946 -1.852) 2.645 1.011 ( 4.755 0.666 1.790) 5.125 1.074 ( 3.126 2.124 1.303) 3.998 1.125 ( 2.508 -0.747 1.065) 2.825 1.255 ( -3.376 -0.079 -1.219) 3.591 1.303 ( 2.809 3.807 -2.468) 5.336 1.346 ( -4.081 -3.451 0.514) 5.370 1.518 ( 5.097 -6.767 -6.776) 10.848 1.567 ( 4.497 -3.174 1.306) 5.657 1.626 ( 5.846 1.662 1.232) 6.202 1.696 ( 1.384 -0.625 -0.051) 1.520 1.743 ( -0.610 -0.035 1.914) 2.009 1.762 ( 0.916 -0.101 -1.503) 1.763 1.836 ( 4.621 -1.507 -0.769) 4.920 1.955 ( -0.599 5.014 -1.073) 5.162 2.007 ( -0.050 -0.035 2.385) 2.386 2.072 ( 1.570 0.897 -0.917) 2.027 2.109 ( -0.700 -4.823 -3.513) 6.007 2.250 ( 0.134 0.608 1.830) 1.933 2.304 ( 1.904 0.912 -2.578) 3.332 2.378 ( -0.647 -1.526 0.444) 1.716 2.400 ( 2.424 -0.388 -1.465) 2.858 2.557 ( -0.358 1.971 2.606) 3.287 2.660 ( -2.146 -1.813 0.528) 2.859 2.668 ( 4.263 4.821 -5.684) 8.587 2.733 ( -1.082 0.877 0.145) 1.400 2.909 ( -1.819 -0.036 -0.126) 1.824 2.942 ( 0.022 0.489 -0.882) 1.009 3.188 ( 1.766 0.205 0.215) 1.791 3.209 ( 0.741 0.369 0.312) 0.885 3.599 ( -0.254 -1.505 -3.814) 4.108 3.643 ( -3.735 -0.857 1.964) 4.306 3.762 ( 3.008 1.860 0.619) 3.590 3.812 ( 3.030 0.280 -0.965) 3.193 4.085 ( -0.650 0.389 2.220) 2.346 4.194 ( -2.381 -1.105 4.641) 5.332 4.625 ( -1.707 0.974 2.796) 3.417 4.665 ( -2.803 1.329 1.852) 3.613 5.057 ( -2.176 0.561 3.375) 4.054 5.157 ( 1.727 -1.831 -0.827) 2.649 5.350 ( 0.350 0.526 -2.264) 2.350 5.406 ( -0.424 0.038 -0.922) 1.016 6.014 ( -0.242 -0.364 -0.683) 0.811 6.048 ( -0.710 -0.251 -0.779) 1.084 6.561 ( -0.134 -0.061 -0.684) 0.699 6.566 ( -0.170 -0.366 -0.406) 0.572 6.599 ( -0.348 0.091 0.504) 0.619 6.606 ( -0.010 0.119 0.419) 0.436 7.123 ( -0.760 -0.494 -0.100) 0.912 7.135 ( -0.122 -0.446 -0.881) 0.995 7.183 ( -0.417 0.532 0.993) 1.201 7.199 ( 0.543 0.234 -0.043) 0.592 8.247 ( -4.043 1.144 1.215) 4.374 8.335 ( -2.227 -0.495 -0.934) 2.465 12.174 ( 1.878 0.752 0.963) 2.240 12.259 ( 2.406 -0.637 1.088) 2.716 12.372 ( -0.455 -0.749 0.394) 0.961 12.383 ( -0.103 -0.508 -0.513) 0.729 13.003 ( -2.459 1.421 -0.758) 2.940 13.063 ( -1.861 0.799 -1.852) 2.744 13.158 ( -0.662 0.480 -1.731) 1.914 13.224 ( -5.522 -0.558 3.390) 6.504 13.774 ( -2.855 0.504 1.463) 3.247 13.847 ( 0.268 -0.779 -1.838) 2.014 ======================= Grid point 103 (56/84) ======================= q-point: ( 0.44 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 0.119 -0.382 -4.013) 4.033 0.576 ( -1.207 -0.124 -4.794) 4.945 0.642 ( 1.298 -0.526 -1.577) 2.109 0.654 ( -0.229 0.643 -1.396) 1.553 0.762 ( 3.296 -0.187 0.592) 3.354 0.826 ( -2.679 -0.962 0.195) 2.854 0.890 ( -0.457 -0.896 2.161) 2.384 0.934 ( 0.835 -0.922 0.515) 1.346 0.993 ( 0.727 0.680 -0.347) 1.055 1.076 ( -0.328 -1.656 -0.940) 1.933 1.130 ( 1.264 1.870 1.484) 2.702 1.170 ( -0.333 1.917 1.040) 2.206 1.183 ( 0.600 -0.607 -0.863) 1.214 1.282 ( -1.558 -0.017 -0.513) 1.640 1.356 ( 3.854 1.788 0.097) 4.250 1.487 ( -2.624 -5.469 -4.603) 7.614 1.566 ( 1.498 -7.374 -3.531) 8.312 1.662 ( 0.710 -0.021 -2.646) 2.740 1.735 ( -0.314 1.860 1.732) 2.561 1.753 ( 0.341 -0.311 0.290) 0.545 1.772 ( 3.100 -0.629 -0.573) 3.215 1.858 ( 2.275 0.390 -3.417) 4.124 1.962 ( 2.029 2.814 0.575) 3.517 2.032 ( -2.287 -1.266 3.111) 4.063 2.047 ( -1.486 -3.711 -1.496) 4.268 2.098 ( 2.095 1.393 -0.838) 2.651 2.279 ( 1.409 -0.988 0.224) 1.735 2.307 ( 1.992 0.467 -1.705) 2.663 2.383 ( -1.931 -0.313 3.025) 3.603 2.415 ( 1.358 0.022 -0.231) 1.378 2.548 ( -1.716 3.755 -1.113) 4.276 2.606 ( -1.687 -1.578 -2.657) 3.521 2.687 ( 2.888 2.617 -1.722) 4.260 2.720 ( 0.633 2.612 -1.169) 2.931 2.889 ( -1.800 1.074 1.375) 2.507 2.942 ( 1.469 0.199 -0.710) 1.644 3.193 ( -0.885 -0.087 -0.037) 0.890 3.221 ( 0.379 -0.219 0.036) 0.439 3.571 ( 2.160 -0.916 -2.084) 3.138 3.601 ( -3.973 0.275 0.999) 4.106 3.814 ( 2.372 1.191 0.348) 2.677 3.834 ( 1.171 0.082 -0.803) 1.422 4.128 ( 0.938 1.201 3.696) 3.998 4.214 ( -2.153 0.301 3.245) 3.906 4.647 ( -0.643 2.298 2.771) 3.657 4.661 ( -1.195 2.037 2.636) 3.539 5.076 ( -1.890 0.011 4.185) 4.592 5.184 ( 2.012 -1.883 0.446) 2.792 5.320 ( 0.231 0.054 -2.898) 2.907 5.375 ( -0.863 0.248 -2.264) 2.435 6.008 ( 0.616 -0.299 -0.739) 1.007 6.025 ( -0.675 -0.344 -0.914) 1.187 6.552 ( 0.000 0.027 -0.463) 0.464 6.559 ( -0.062 -0.217 -0.443) 0.497 6.601 ( -0.274 -0.103 0.543) 0.617 6.610 ( 0.023 -0.107 0.284) 0.305 7.110 ( -0.608 -0.527 -0.272) 0.849 7.122 ( -0.022 -0.405 -0.853) 0.944 7.189 ( -0.509 0.548 0.925) 1.190 7.209 ( 0.706 0.120 0.005) 0.716 8.217 ( -2.110 1.637 1.515) 3.070 8.297 ( -0.534 0.286 -1.404) 1.529 12.217 ( 1.471 0.412 1.671) 2.264 12.291 ( -0.247 -1.130 0.788) 1.400 12.367 ( -1.659 -0.218 0.553) 1.762 12.374 ( 1.360 -0.270 -1.130) 1.788 12.960 ( -1.455 0.722 -0.875) 1.845 13.001 ( -1.357 -0.160 -2.460) 2.814 13.172 ( 2.325 0.667 0.372) 2.448 13.185 ( -3.591 0.437 1.779) 4.031 13.756 ( -2.137 0.633 1.566) 2.724 13.833 ( 1.163 -0.700 -1.933) 2.362 ======================= Grid point 104 (57/84) ======================= q-point: (-0.44 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( -0.903 -0.376 -2.931) 3.090 0.514 ( 1.139 -0.329 -2.634) 2.888 0.622 ( -1.847 -0.245 -1.116) 2.172 0.638 ( 0.176 -0.120 -0.659) 0.692 0.768 ( -4.511 -0.703 -0.203) 4.570 0.827 ( 3.527 -0.578 0.717) 3.645 0.900 ( -1.199 0.166 1.289) 1.768 0.947 ( 0.578 -0.221 -0.852) 1.053 0.999 ( -4.069 1.828 -2.055) 4.911 1.016 ( 1.334 -0.575 1.319) 1.962 1.109 ( -4.187 1.263 0.358) 4.388 1.159 ( -1.983 0.548 1.157) 2.360 1.205 ( -1.926 0.573 0.875) 2.192 1.292 ( -2.521 -2.286 -4.981) 6.032 1.344 ( -0.456 -4.115 2.751) 4.971 1.435 ( 3.724 -0.001 0.414) 3.747 1.559 ( 2.525 -6.033 -4.576) 7.983 1.636 ( 2.409 -3.831 -3.604) 5.786 1.684 ( -6.270 2.454 1.187) 6.837 1.776 ( -0.868 0.721 0.145) 1.138 1.801 ( 0.709 0.488 1.003) 1.322 1.845 ( 2.401 0.525 -3.033) 3.904 1.985 ( -3.316 -2.107 0.480) 3.958 1.996 ( 0.137 -1.861 -0.392) 1.907 2.057 ( 0.169 0.439 1.907) 1.964 2.113 ( 0.730 1.113 -0.429) 1.398 2.282 ( -0.650 -0.581 -0.751) 1.151 2.305 ( -0.018 1.341 -1.201) 1.800 2.391 ( -3.975 1.893 4.511) 6.303 2.445 ( 0.786 0.230 1.763) 1.944 2.488 ( -2.172 1.692 -2.464) 3.695 2.563 ( 1.577 1.416 -3.411) 4.016 2.685 ( -0.314 0.963 -0.430) 1.101 2.735 ( 3.116 1.652 -2.110) 4.110 2.891 ( -0.763 1.281 1.738) 2.290 2.963 ( 2.493 0.223 -0.989) 2.691 3.183 ( -0.814 -0.670 1.164) 1.571 3.220 ( 0.007 -1.247 -0.399) 1.310 3.550 ( -3.499 2.076 0.142) 4.071 3.611 ( 4.352 -0.579 -0.103) 4.391 3.817 ( -1.751 -0.390 -0.514) 1.866 3.832 ( -0.233 0.268 -0.766) 0.845 4.201 ( 1.484 1.413 3.081) 3.700 4.215 ( -0.365 1.537 1.093) 1.921 4.674 ( 0.241 2.184 2.229) 3.130 4.694 ( 1.480 2.544 1.328) 3.229 5.105 ( -1.876 -0.336 4.441) 4.832 5.220 ( 1.782 -2.318 -0.293) 2.939 5.288 ( -0.127 0.304 -1.274) 1.316 5.327 ( -0.673 0.483 -2.810) 2.930 6.007 ( -0.153 -0.209 -0.761) 0.804 6.013 ( 1.235 -0.116 -0.577) 1.368 6.549 ( 0.119 0.088 -0.153) 0.212 6.553 ( 0.016 0.007 -0.384) 0.384 6.604 ( -0.139 -0.292 0.487) 0.585 6.614 ( 0.232 -0.186 0.065) 0.304 7.100 ( -0.389 -0.498 -0.017) 0.632 7.114 ( 0.151 -0.324 -0.495) 0.611 7.191 ( -0.577 0.578 0.702) 1.077 7.219 ( 0.813 -0.045 -0.260) 0.855 8.225 ( 0.296 1.937 1.728) 2.612 8.287 ( 1.919 0.833 -1.608) 2.638 12.261 ( 0.556 -0.371 2.295) 2.391 12.271 ( -2.087 -0.298 -0.304) 2.130 12.339 ( -2.442 0.128 0.127) 2.449 12.393 ( 2.193 -0.817 -0.631) 2.424 12.945 ( 0.401 0.175 -0.038) 0.439 12.972 ( 0.787 -0.259 -1.353) 1.587 13.156 ( -2.221 1.511 0.988) 2.862 13.230 ( 4.762 -0.217 -0.431) 4.786 13.753 ( -1.078 0.429 1.672) 2.035 13.832 ( 2.134 -1.078 -1.901) 3.054 ======================= Grid point 105 (58/84) ======================= q-point: (-0.33 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( -1.621 -0.005 0.302) 1.649 0.522 ( 0.149 -0.267 0.395) 0.499 0.567 ( -3.222 -0.517 -0.401) 3.287 0.632 ( -0.622 1.152 0.370) 1.360 0.695 ( -4.328 -1.650 0.259) 4.640 0.870 ( -4.001 3.403 1.053) 5.357 0.883 ( 0.463 -1.244 0.768) 1.533 0.917 ( -1.195 1.525 1.369) 2.372 0.972 ( 0.364 -0.254 -0.519) 0.683 1.019 ( -5.938 0.095 1.865) 6.225 1.069 ( -1.721 0.353 -0.067) 1.758 1.109 ( -3.656 -0.910 -0.452) 3.794 1.135 ( -3.749 1.248 0.551) 3.990 1.229 ( -0.713 -0.295 0.338) 0.842 1.403 ( 3.560 -0.826 -1.935) 4.136 1.500 ( 2.049 -2.256 0.737) 3.135 1.526 ( -0.814 -1.789 0.169) 1.972 1.587 ( -7.768 0.821 2.006) 8.065 1.633 ( -0.466 -3.944 -2.330) 4.605 1.724 ( -3.518 0.699 -0.901) 3.698 1.829 ( 0.263 0.766 -1.482) 1.689 1.862 ( 4.353 -1.877 0.034) 4.741 1.945 ( -2.350 -1.253 0.629) 2.737 1.971 ( -2.579 -0.720 0.091) 2.679 2.068 ( -1.484 -0.086 -0.225) 1.504 2.118 ( 1.368 -0.502 -0.502) 1.541 2.250 ( -1.527 1.239 -1.026) 2.218 2.284 ( -1.197 1.496 -0.039) 1.916 2.376 ( -4.633 3.679 3.580) 6.915 2.419 ( -2.404 -0.320 -0.484) 2.473 2.482 ( -0.390 -1.034 0.707) 1.311 2.572 ( 3.942 3.978 -1.497) 5.797 2.682 ( 0.363 -0.853 -0.084) 0.931 2.743 ( 1.524 -1.480 -1.876) 2.834 2.907 ( 0.350 1.419 0.904) 1.719 2.984 ( 2.450 0.935 -1.631) 3.088 3.203 ( 0.363 -1.645 1.867) 2.515 3.213 ( -0.337 -1.466 -0.507) 1.588 3.503 ( -2.385 3.702 -0.011) 4.404 3.688 ( 5.035 -1.262 0.501) 5.215 3.765 ( -3.983 -0.165 -0.588) 4.029 3.796 ( -3.019 -0.388 -0.595) 3.102 4.197 ( 0.158 1.342 -1.314) 1.884 4.278 ( 2.857 0.038 1.222) 3.107 4.709 ( 2.052 2.005 0.149) 2.873 4.732 ( 2.283 2.015 -0.022) 3.045 5.126 ( -2.131 -0.665 2.973) 3.718 5.203 ( 0.175 -2.124 -3.291) 3.921 5.289 ( 0.292 1.361 -1.474) 2.028 5.311 ( 0.470 0.321 2.542) 2.605 6.003 ( 0.614 0.106 -0.386) 0.732 6.028 ( 1.323 0.025 -0.225) 1.342 6.549 ( 0.065 0.122 -0.139) 0.196 6.552 ( 0.173 0.071 0.085) 0.205 6.608 ( -0.069 -0.303 0.237) 0.391 6.620 ( 0.502 -0.121 -0.153) 0.539 7.098 ( -0.207 -0.431 0.415) 0.633 7.115 ( 0.302 -0.282 0.083) 0.421 7.190 ( -0.596 0.645 0.463) 0.993 7.226 ( 0.865 -0.174 -0.653) 1.098 8.267 ( 2.061 1.811 1.745) 3.252 8.312 ( 3.914 0.998 -1.424) 4.283 12.222 ( -2.709 0.561 -0.875) 2.902 12.295 ( -1.020 -1.316 0.027) 1.665 12.304 ( -1.736 -0.054 2.287) 2.872 12.416 ( 1.757 -1.598 -0.629) 2.457 12.971 ( 1.843 -0.008 0.949) 2.073 12.988 ( 2.513 0.070 0.015) 2.514 13.142 ( -0.599 2.564 0.069) 2.634 13.300 ( 5.537 -1.110 -0.895) 5.717 13.767 ( 0.076 -0.103 1.600) 1.605 13.846 ( 2.722 -1.629 -1.691) 3.595 ======================= Grid point 106 (59/84) ======================= q-point: (-0.22 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( -4.032 1.480 5.094) 6.663 0.467 ( -6.383 2.805 3.401) 7.757 0.580 ( 0.647 -1.866 1.909) 2.746 0.636 ( -0.368 1.475 1.907) 2.439 0.656 ( -2.066 -1.290 1.093) 2.670 0.825 ( -4.058 5.898 1.746) 7.369 0.883 ( -2.601 1.589 2.244) 3.785 0.893 ( -4.840 0.081 1.326) 5.019 0.956 ( -1.356 -0.696 -0.347) 1.563 0.995 ( -1.169 -1.009 -1.724) 2.315 1.013 ( -2.386 2.426 3.675) 5.009 1.073 ( -3.727 1.743 1.266) 4.305 1.121 ( -0.028 -0.727 0.395) 0.828 1.254 ( 1.662 1.972 2.495) 3.588 1.398 ( -1.293 -2.500 -0.912) 2.959 1.464 ( -3.782 -0.829 -1.057) 4.014 1.516 ( -1.802 -1.469 -0.873) 2.483 1.553 ( -4.409 -1.171 -2.828) 5.367 1.577 ( -0.277 -2.560 4.546) 5.225 1.667 ( -4.266 0.665 0.364) 4.333 1.788 ( -2.522 0.954 -1.772) 3.227 1.911 ( 3.165 -2.849 -3.391) 5.444 1.931 ( -0.803 -1.204 1.530) 2.106 1.961 ( -0.653 1.745 2.436) 3.067 2.021 ( -2.809 -0.907 -0.627) 3.018 2.120 ( 0.743 -0.202 -2.137) 2.271 2.219 ( -1.586 3.009 0.023) 3.401 2.284 ( 0.075 -0.522 1.384) 1.481 2.365 ( -3.311 1.741 4.461) 5.822 2.395 ( -0.328 -0.569 -0.148) 0.673 2.459 ( -1.381 0.530 -2.011) 2.497 2.614 ( 2.403 2.657 -0.806) 3.672 2.690 ( 0.084 -2.563 0.925) 2.726 2.746 ( 1.136 -3.097 0.030) 3.299 2.918 ( 0.725 1.804 -0.707) 2.069 2.998 ( 2.012 1.128 -1.200) 2.600 3.189 ( -1.215 -0.981 -1.387) 2.088 3.221 ( 0.023 -1.662 -0.199) 1.674 3.492 ( -0.984 3.450 2.477) 4.360 3.690 ( -4.479 0.233 -0.715) 4.542 3.736 ( -3.384 -0.936 -0.292) 3.523 3.767 ( 3.904 -2.174 0.430) 4.489 4.184 ( 1.626 0.846 -2.700) 3.263 4.315 ( 2.079 -2.147 -1.361) 3.284 4.733 ( 2.628 1.471 -1.984) 3.606 4.757 ( 2.061 0.894 -1.436) 2.666 5.113 ( -2.215 -0.509 0.334) 2.297 5.172 ( 0.728 -2.040 -2.257) 3.129 5.287 ( 0.177 2.543 0.607) 2.620 5.357 ( 0.365 0.222 3.012) 3.042 6.014 ( 1.100 0.540 0.019) 1.225 6.045 ( 1.027 0.005 0.136) 1.036 6.551 ( 0.127 0.182 0.174) 0.282 6.557 ( 0.166 -0.021 0.349) 0.387 6.608 ( -0.147 -0.080 0.027) 0.170 6.622 ( 0.431 0.045 -0.660) 0.790 7.104 ( -0.165 -0.341 0.865) 0.944 7.125 ( 0.410 -0.423 0.574) 0.823 7.186 ( -0.489 0.745 0.282) 0.935 7.228 ( 0.852 -0.225 -1.062) 1.380 8.323 ( 2.601 0.880 1.042) 2.937 8.365 ( 4.547 0.979 -0.593) 4.689 12.173 ( -2.166 0.909 -0.908) 2.518 12.249 ( -2.788 -0.188 -1.171) 3.030 12.319 ( -1.678 -2.301 1.960) 3.457 12.428 ( 1.158 -2.093 -0.950) 2.573 13.013 ( 1.858 0.627 1.096) 2.247 13.047 ( 3.293 0.262 1.954) 3.838 13.138 ( 0.238 3.161 -0.423) 3.199 13.377 ( 5.902 -2.182 -0.329) 6.301 13.793 ( 0.680 -0.708 1.425) 1.731 13.867 ( 2.707 -2.057 -1.455) 3.698 ======================= Grid point 107 (60/84) ======================= q-point: (-0.11 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -2.830 5.117 7.259) 9.321 0.481 ( -3.408 3.301 7.297) 8.704 0.605 ( -1.125 -0.182 2.601) 2.840 0.660 ( 0.176 0.602 1.185) 1.341 0.678 ( 0.909 -0.157 2.976) 3.116 0.796 ( -2.542 3.829 2.196) 5.094 0.852 ( -2.948 1.589 1.045) 3.508 0.880 ( -2.458 1.704 2.867) 4.144 0.906 ( -1.330 1.399 -0.795) 2.088 0.967 ( 0.071 0.040 -1.449) 1.451 1.014 ( -1.351 0.768 1.009) 1.853 1.084 ( 0.182 -2.037 1.019) 2.285 1.121 ( -1.821 -1.231 3.008) 3.726 1.312 ( -0.485 -0.503 1.945) 2.067 1.354 ( -6.086 0.116 2.104) 6.440 1.378 ( -2.264 -2.051 -2.265) 3.803 1.460 ( -0.433 0.066 -3.649) 3.675 1.516 ( 2.717 -0.420 -1.144) 2.978 1.594 ( -6.628 1.897 2.529) 7.343 1.623 ( -0.858 -1.735 3.224) 3.761 1.725 ( -1.998 -1.430 -1.391) 2.824 1.902 ( 2.369 -3.224 -5.393) 6.715 1.924 ( -2.927 1.636 1.990) 3.900 1.971 ( -1.399 0.699 2.382) 2.849 2.021 ( 1.516 0.677 2.119) 2.692 2.096 ( 0.293 0.075 -1.978) 2.001 2.211 ( -1.220 4.232 2.004) 4.838 2.300 ( -1.454 0.082 2.809) 3.164 2.367 ( -3.553 1.417 2.440) 4.537 2.396 ( -2.321 1.022 -1.064) 2.751 2.434 ( 5.559 -2.403 -1.546) 6.251 2.614 ( 0.546 0.390 -1.792) 1.914 2.714 ( 0.226 -1.439 1.960) 2.441 2.775 ( 0.678 -2.685 1.524) 3.161 2.908 ( 0.219 2.279 -1.761) 2.888 3.019 ( 1.797 0.546 0.264) 1.896 3.146 ( -0.819 -0.788 -2.768) 2.992 3.198 ( -1.002 -1.323 -1.445) 2.200 3.529 ( -1.544 1.674 5.135) 5.617 3.627 ( -2.290 0.487 -0.457) 2.386 3.687 ( -2.730 -0.737 0.401) 2.856 3.818 ( 2.740 -3.044 -0.757) 4.165 4.178 ( 2.287 0.241 -2.829) 3.646 4.304 ( 0.743 -3.035 -3.545) 4.726 4.735 ( 1.939 0.238 -2.911) 3.506 4.754 ( 0.809 -0.422 -2.320) 2.493 5.086 ( -1.821 0.263 0.628) 1.945 5.161 ( 1.656 -1.900 -2.299) 3.411 5.305 ( -0.373 2.685 2.359) 3.593 5.393 ( 0.039 0.223 1.913) 1.927 6.032 ( 0.822 0.780 0.350) 1.186 6.061 ( 0.741 -0.024 0.172) 0.761 6.557 ( 0.117 0.214 0.470) 0.530 6.565 ( 0.127 -0.041 0.535) 0.551 6.604 ( -0.281 0.283 -0.015) 0.400 6.617 ( 0.253 0.197 -0.765) 0.829 7.115 ( -0.296 -0.251 1.199) 1.260 7.138 ( 0.237 -0.614 0.577) 0.875 7.183 ( -0.333 0.779 0.086) 0.852 7.223 ( 0.751 -0.206 -1.410) 1.611 8.367 ( 1.653 -0.182 0.546) 1.750 8.417 ( 3.081 0.393 -0.872) 3.226 12.138 ( -0.904 0.890 -0.735) 1.466 12.181 ( -3.373 -0.125 -1.647) 3.755 12.312 ( -2.322 -0.802 2.409) 3.441 12.427 ( 0.805 -2.169 -1.346) 2.676 13.050 ( 0.751 1.297 1.319) 1.997 13.114 ( 2.067 2.766 0.120) 3.455 13.149 ( 0.367 0.753 2.920) 3.038 13.452 ( 5.111 -3.914 -2.284) 6.831 13.821 ( 0.328 -1.223 1.521) 1.979 13.886 ( 2.151 -2.246 -1.345) 3.388 ======================= Grid point 108 (61/84) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -0.349 1.800 3.974) 4.377 0.604 ( 0.038 1.283 2.850) 3.126 0.646 ( -0.087 1.753 2.531) 3.080 0.681 ( 0.709 -0.842 1.094) 1.553 0.751 ( -1.099 2.714 1.531) 3.304 0.804 ( -0.639 -1.563 -0.238) 1.705 0.867 ( -0.256 2.281 -1.371) 2.674 0.903 ( 1.216 -0.118 -1.164) 1.687 0.957 ( 0.503 2.902 -1.363) 3.245 0.986 ( -0.606 2.246 1.400) 2.715 1.012 ( -1.499 -1.195 -0.648) 2.023 1.034 ( 0.780 -1.534 -1.493) 2.278 1.115 ( -1.539 1.874 1.373) 2.787 1.216 ( -0.835 -4.671 -1.820) 5.082 1.276 ( 2.934 0.622 -1.526) 3.365 1.350 ( 5.627 -5.261 -4.075) 8.715 1.429 ( -2.230 -0.572 0.411) 2.338 1.465 ( 0.446 -0.797 -0.810) 1.221 1.552 ( -1.160 0.029 1.848) 2.182 1.613 ( 2.669 -4.071 -1.248) 5.026 1.768 ( -1.955 4.578 2.765) 5.694 1.818 ( -0.087 -0.620 -0.532) 0.822 1.984 ( -1.965 2.675 1.848) 3.799 2.019 ( -0.667 -0.462 0.910) 1.219 2.072 ( 1.351 2.956 2.090) 3.865 2.121 ( 1.633 -0.014 0.228) 1.649 2.289 ( 0.241 0.999 1.141) 1.536 2.302 ( 0.065 -0.834 1.292) 1.539 2.376 ( -0.262 0.045 0.160) 0.310 2.390 ( 0.658 -0.346 0.595) 0.952 2.503 ( -4.822 5.561 5.809) 9.376 2.638 ( -3.543 -3.861 4.985) 7.232 2.669 ( 2.587 1.248 -1.546) 3.262 2.741 ( 1.750 -3.462 0.804) 3.962 2.946 ( 0.626 2.827 -1.984) 3.510 3.009 ( 1.157 -2.924 -3.016) 4.357 3.090 ( -1.413 0.996 -0.301) 1.755 3.129 ( -0.482 -2.213 -1.041) 2.493 3.587 ( -1.917 2.429 1.805) 3.582 3.626 ( 0.147 -0.602 -0.299) 0.688 3.683 ( 1.212 1.447 1.317) 2.301 3.748 ( 1.481 -4.214 -0.326) 4.478 4.172 ( 0.600 0.446 -2.581) 2.687 4.198 ( -0.010 -1.969 -3.355) 3.890 4.692 ( -0.580 -0.603 -3.241) 3.347 4.698 ( 0.699 -1.071 -3.408) 3.640 5.102 ( -0.215 1.430 0.214) 1.462 5.130 ( 1.011 -1.185 -0.969) 1.835 5.372 ( -0.714 1.405 1.999) 2.546 5.398 ( -0.685 -0.893 0.946) 1.470 6.059 ( -0.311 0.785 0.420) 0.943 6.072 ( 0.413 -0.286 0.005) 0.503 6.570 ( 0.057 0.180 0.506) 0.540 6.573 ( 0.049 -0.065 0.465) 0.472 6.608 ( -0.074 0.296 -0.268) 0.407 6.612 ( 0.063 -0.082 -0.558) 0.567 7.126 ( -0.093 0.244 0.840) 0.880 7.135 ( 0.071 -0.531 0.540) 0.761 7.195 ( -0.227 0.726 -0.235) 0.797 7.208 ( 0.151 -0.457 -0.852) 0.979 8.386 ( -0.375 0.847 -0.220) 0.952 8.412 ( 0.220 -1.237 -1.304) 1.811 12.141 ( -0.645 0.637 -0.251) 0.941 12.145 ( -0.088 0.325 -0.446) 0.559 12.329 ( -0.148 1.071 1.313) 1.701 12.369 ( 0.579 -2.376 -0.588) 2.515 13.117 ( -1.233 2.680 2.834) 4.091 13.171 ( -0.913 -2.024 4.084) 4.649 13.234 ( 0.826 5.572 -1.880) 5.938 13.354 ( 1.075 -5.129 -3.336) 6.212 13.819 ( -0.428 -0.011 1.144) 1.222 13.843 ( 0.398 -2.126 0.035) 2.164 ======================= Grid point 109 (62/84) ======================= q-point: ( 0.11 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 0.372 0.868 1.958) 2.174 0.647 ( 0.720 0.351 2.448) 2.576 0.664 ( 0.393 2.426 0.094) 2.460 0.694 ( 0.978 0.183 -0.629) 1.177 0.765 ( -1.082 0.902 2.556) 2.918 0.796 ( -0.147 -1.606 0.186) 1.623 0.853 ( 0.008 2.191 -0.338) 2.217 0.897 ( 0.992 -0.877 -1.774) 2.214 0.947 ( -2.106 -0.382 -1.902) 2.864 0.965 ( -0.834 -0.600 1.036) 1.459 1.004 ( 1.154 1.156 0.309) 1.662 1.037 ( 1.464 -1.279 -0.051) 1.944 1.167 ( 5.879 2.752 1.103) 6.584 1.238 ( 3.106 -2.071 -0.475) 3.763 1.327 ( 6.394 -1.230 -1.288) 6.637 1.382 ( 6.881 -6.610 -6.617) 11.612 1.406 ( -0.670 1.147 0.716) 1.509 1.466 ( 0.434 -2.781 0.118) 2.817 1.590 ( 3.495 1.906 1.047) 4.116 1.652 ( 4.387 -2.995 -0.901) 5.388 1.745 ( -4.074 4.920 1.853) 6.651 1.817 ( -0.802 -0.961 0.431) 1.324 1.985 ( -1.287 2.861 2.111) 3.781 2.025 ( -0.138 -0.175 0.625) 0.663 2.099 ( 0.108 1.109 0.443) 1.199 2.131 ( 0.738 -0.503 -1.637) 1.865 2.305 ( -0.825 0.325 0.256) 0.923 2.314 ( 0.791 0.636 0.889) 1.349 2.375 ( 0.349 1.292 0.007) 1.338 2.423 ( 2.404 -1.580 -0.720) 2.965 2.485 ( -5.058 5.482 3.867) 8.401 2.623 ( -5.630 -6.613 4.014) 9.567 2.717 ( 5.109 3.908 -1.122) 6.530 2.771 ( 1.707 -1.258 -0.391) 2.156 2.939 ( -0.466 0.712 0.923) 1.256 2.962 ( -0.749 -1.657 -3.169) 3.654 3.107 ( 1.899 0.254 0.991) 2.157 3.132 ( 2.240 -1.586 -0.488) 2.788 3.599 ( -0.489 1.218 2.522) 2.843 3.633 ( 0.802 -1.302 0.048) 1.530 3.720 ( 1.777 1.471 0.410) 2.343 3.761 ( 2.256 -2.342 -1.982) 3.808 4.139 ( -1.377 -0.044 -1.609) 2.118 4.153 ( -0.760 -1.181 -1.957) 2.409 4.648 ( -1.059 0.097 -1.263) 1.651 4.672 ( 0.232 -1.900 -1.459) 2.407 5.096 ( -1.013 1.640 0.296) 1.950 5.127 ( 0.412 -1.274 -1.105) 1.736 5.388 ( -0.581 0.511 1.560) 1.741 5.398 ( -0.487 -0.353 0.649) 0.885 6.052 ( -1.102 0.845 0.289) 1.419 6.070 ( -0.389 -0.579 -0.231) 0.735 6.574 ( -0.251 0.065 0.214) 0.336 6.576 ( -0.242 -0.072 0.130) 0.284 6.604 ( -0.075 0.168 -0.012) 0.185 6.606 ( -0.064 0.040 -0.306) 0.315 7.132 ( -0.285 0.182 0.521) 0.621 7.140 ( -0.061 -0.466 0.153) 0.495 7.189 ( -0.273 0.616 0.057) 0.676 7.199 ( 0.051 -0.309 -0.565) 0.646 8.364 ( -2.548 0.762 0.209) 2.668 8.387 ( -1.508 -1.300 -0.693) 2.108 12.140 ( 0.826 1.105 0.089) 1.382 12.157 ( 1.660 -0.254 0.092) 1.681 12.345 ( 0.246 0.504 0.860) 1.027 12.370 ( 0.805 -1.618 -0.916) 2.026 13.122 ( -2.956 3.342 2.818) 5.277 13.188 ( -2.461 -0.986 1.791) 3.199 13.215 ( -1.332 2.686 0.237) 3.007 13.303 ( -1.091 -3.702 -4.051) 5.595 13.820 ( -1.052 0.296 0.809) 1.360 13.844 ( 0.029 -1.853 -0.307) 1.878 ======================= Grid point 110 (63/84) ======================= q-point: ( 0.22 0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 0.329 1.813 -1.517) 2.386 0.664 ( 0.149 0.791 -1.656) 1.841 0.681 ( 0.842 0.164 0.033) 0.858 0.690 ( 0.799 -0.238 -1.183) 1.447 0.757 ( -1.806 1.828 -0.668) 2.656 0.802 ( -0.995 -2.120 1.457) 2.758 0.852 ( -0.259 0.132 0.888) 0.934 0.872 ( -0.730 -1.514 -0.779) 1.852 0.951 ( 3.115 1.633 1.316) 3.756 0.995 ( 1.603 -1.348 1.821) 2.775 1.039 ( 3.623 1.917 -0.159) 4.102 1.077 ( 3.057 -0.264 0.030) 3.069 1.247 ( 0.982 0.318 -0.543) 1.166 1.278 ( 3.266 0.182 1.429) 3.569 1.375 ( 4.962 -3.740 -5.463) 8.274 1.418 ( 6.828 -3.847 -2.334) 8.177 1.457 ( 3.605 0.930 -0.254) 3.732 1.480 ( 3.711 -1.071 -0.330) 3.877 1.660 ( 4.332 2.591 -0.875) 5.123 1.714 ( 4.210 -1.132 -0.219) 4.365 1.727 ( -0.874 1.552 2.847) 3.359 1.794 ( -2.453 -2.352 -0.091) 3.399 1.999 ( -0.820 2.306 2.379) 3.414 2.033 ( 0.267 0.153 0.682) 0.748 2.087 ( -0.171 -0.630 -2.866) 2.939 2.108 ( 0.175 0.023 -1.928) 1.936 2.289 ( -1.267 1.530 -0.170) 1.994 2.324 ( 0.279 -1.263 -0.558) 1.409 2.386 ( 0.111 1.621 -1.181) 2.009 2.392 ( 0.503 1.075 -2.564) 2.825 2.515 ( -0.873 1.364 5.647) 5.875 2.592 ( -4.748 -5.514 3.812) 8.215 2.765 ( 3.740 2.762 -3.406) 5.763 2.778 ( 1.416 1.302 -1.145) 2.238 2.924 ( -0.345 0.155 -0.948) 1.021 2.949 ( -1.014 -1.050 1.614) 2.176 3.155 ( 2.943 0.656 0.564) 3.068 3.174 ( 2.666 -0.711 0.529) 2.810 3.620 ( -1.015 0.078 1.211) 1.582 3.636 ( -0.961 -1.108 0.147) 1.474 3.749 ( 3.517 1.337 -1.418) 4.021 3.776 ( 4.403 -0.965 -2.974) 5.400 4.102 ( -2.019 0.835 0.658) 2.282 4.134 ( -1.699 -1.948 1.981) 3.257 4.634 ( -0.911 1.046 1.473) 2.023 4.667 ( -0.504 -1.658 0.911) 1.958 5.083 ( -1.278 1.498 0.476) 2.026 5.116 ( 0.184 -1.591 -1.103) 1.945 5.388 ( -0.482 0.888 -0.038) 1.011 5.404 ( -0.305 -0.578 0.658) 0.927 6.035 ( -1.404 0.768 0.070) 1.602 6.055 ( -1.040 -0.865 -0.291) 1.384 6.568 ( -0.402 -0.083 -0.214) 0.463 6.569 ( -0.429 -0.126 -0.265) 0.519 6.603 ( -0.148 0.190 0.081) 0.254 6.605 ( -0.064 0.055 0.184) 0.202 7.130 ( -0.400 0.076 -0.145) 0.432 7.136 ( -0.097 -0.461 -0.573) 0.742 7.189 ( -0.288 0.506 0.610) 0.843 7.197 ( 0.018 -0.148 0.077) 0.168 8.321 ( -3.553 1.227 0.607) 3.808 8.352 ( -2.624 -1.493 0.111) 3.021 12.164 ( 1.611 1.446 0.580) 2.241 12.193 ( 2.209 -0.956 0.699) 2.506 12.357 ( 0.409 0.069 0.182) 0.453 12.370 ( 0.922 -0.978 -1.018) 1.686 13.099 ( -3.837 3.043 1.222) 5.047 13.145 ( -2.978 0.534 -1.395) 3.331 13.199 ( -2.838 -0.278 1.238) 3.109 13.234 ( -2.185 -1.897 -1.369) 3.201 13.810 ( -1.259 0.805 0.316) 1.527 13.836 ( -0.138 -1.564 -0.724) 1.729 ======================= Grid point 111 (64/84) ======================= q-point: ( 0.33 0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -0.868 0.602 -4.161) 4.293 0.621 ( -0.446 -0.865 -3.910) 4.030 0.669 ( 1.513 1.354 -3.175) 3.769 0.695 ( 0.488 -0.312 -1.567) 1.670 0.732 ( -0.178 2.089 0.513) 2.159 0.796 ( -1.633 -3.318 1.230) 3.897 0.865 ( 0.366 0.958 1.569) 1.874 0.889 ( -0.081 -1.177 2.431) 2.702 1.010 ( 2.558 1.056 -0.548) 2.821 1.035 ( 0.961 -0.044 0.459) 1.066 1.104 ( 4.545 1.351 0.393) 4.758 1.122 ( 2.604 0.175 0.842) 2.742 1.240 ( 0.474 0.744 -1.495) 1.735 1.324 ( 1.116 -3.885 1.398) 4.277 1.358 ( 0.085 1.289 -5.265) 5.421 1.445 ( 3.922 2.017 -4.875) 6.574 1.475 ( 1.039 -1.630 -0.149) 1.939 1.592 ( 6.795 -4.894 0.215) 8.377 1.694 ( 4.305 0.739 -3.239) 5.438 1.727 ( 1.350 -2.034 -3.559) 4.315 1.770 ( 0.372 1.507 3.287) 3.635 1.804 ( 2.114 -1.516 2.122) 3.357 2.013 ( -1.307 0.720 1.081) 1.843 2.025 ( -1.307 -0.816 -2.586) 3.010 2.052 ( 0.598 2.746 0.241) 2.821 2.097 ( 1.634 -0.523 -1.533) 2.301 2.272 ( -0.275 1.736 -0.151) 1.764 2.308 ( 1.211 -0.861 -2.929) 3.284 2.369 ( -1.723 0.833 2.380) 3.054 2.397 ( -0.142 -0.761 0.833) 1.137 2.574 ( 0.179 -0.274 3.783) 3.798 2.582 ( -2.540 -2.213 2.760) 4.355 2.750 ( 1.379 2.622 -3.211) 4.369 2.781 ( 2.428 0.588 -3.519) 4.315 2.920 ( -0.287 1.470 0.508) 1.582 2.948 ( -1.316 -0.436 0.916) 1.661 3.195 ( 1.270 0.491 -0.039) 1.362 3.208 ( 1.148 -0.475 -0.141) 1.250 3.591 ( -1.048 0.738 -1.614) 2.061 3.618 ( -1.818 -1.364 0.356) 2.301 3.794 ( 4.281 1.109 -1.283) 4.605 3.812 ( 4.252 -0.440 -2.050) 4.741 4.109 ( -0.836 1.838 3.827) 4.327 4.157 ( -1.194 -2.249 4.706) 5.351 4.656 ( -0.462 1.573 3.181) 3.578 4.678 ( -1.147 -0.261 2.586) 2.841 5.076 ( -0.872 1.235 1.073) 1.854 5.112 ( 0.765 -2.067 -0.424) 2.244 5.372 ( -0.675 1.325 -1.145) 1.877 5.397 ( -0.679 -0.856 -0.672) 1.283 6.016 ( -1.012 0.551 -0.096) 1.156 6.034 ( -1.205 -0.929 -0.296) 1.551 6.559 ( -0.299 -0.084 -0.356) 0.473 6.560 ( -0.268 -0.172 -0.280) 0.424 6.602 ( -0.245 0.215 0.186) 0.375 6.606 ( -0.099 -0.099 0.165) 0.216 7.118 ( -0.390 0.008 -0.631) 0.742 7.124 ( -0.053 -0.486 -0.995) 1.109 7.195 ( -0.294 0.466 0.859) 1.021 7.201 ( 0.073 -0.089 0.452) 0.466 8.280 ( -3.112 1.745 1.055) 3.720 8.315 ( -2.448 -1.354 0.382) 2.823 12.199 ( 1.443 1.494 1.088) 2.345 12.234 ( 1.450 -1.544 1.152) 2.411 12.363 ( 0.709 0.025 -0.470) 0.851 12.370 ( 0.646 -0.581 -0.787) 1.172 13.040 ( -3.512 1.732 -1.190) 4.093 13.067 ( -3.515 -0.564 -2.441) 4.317 13.178 ( -0.680 1.249 0.380) 1.472 13.205 ( -2.768 -1.131 1.787) 3.484 13.793 ( -1.109 1.215 -0.017) 1.645 13.823 ( -0.004 -1.380 -1.097) 1.763 ======================= Grid point 112 (65/84) ======================= q-point: ( 0.44 0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( -0.357 0.353 -3.947) 3.979 0.559 ( -0.578 -1.270 -4.015) 4.250 0.645 ( 0.702 1.023 -2.895) 3.150 0.665 ( -0.462 -0.209 -2.635) 2.683 0.760 ( 1.803 0.572 1.057) 2.167 0.791 ( -1.165 -1.957 1.025) 2.497 0.893 ( 0.012 0.890 1.894) 2.093 0.915 ( 0.134 -0.920 1.431) 1.707 1.013 ( 0.230 0.674 -1.207) 1.401 1.031 ( -0.379 -1.581 -0.945) 1.880 1.176 ( 2.837 0.500 0.614) 2.946 1.183 ( 3.932 1.674 1.113) 4.416 1.219 ( -0.277 2.627 -2.343) 3.531 1.265 ( -4.489 2.125 -0.973) 5.061 1.350 ( 2.930 -6.621 -5.359) 9.008 1.381 ( -5.230 -7.122 -1.067) 8.900 1.482 ( 5.192 6.403 -4.920) 9.600 1.618 ( 2.530 -4.847 -5.788) 7.962 1.739 ( 4.194 -0.200 0.060) 4.200 1.746 ( 3.190 -0.683 -1.376) 3.541 1.801 ( -1.455 2.787 2.921) 4.291 1.848 ( 0.472 -1.473 1.084) 1.889 1.973 ( -1.300 0.183 -1.260) 1.820 1.992 ( -2.295 -1.115 0.001) 2.552 2.072 ( 0.260 2.675 1.223) 2.953 2.113 ( 1.925 -0.506 -0.877) 2.175 2.276 ( 0.633 0.802 -0.186) 1.039 2.300 ( 1.659 -0.899 -1.621) 2.488 2.377 ( -2.394 0.475 3.674) 4.411 2.410 ( -2.432 -1.768 3.842) 4.878 2.583 ( 0.234 1.467 0.350) 1.526 2.613 ( -0.440 0.318 2.056) 2.126 2.730 ( 1.144 2.300 -2.909) 3.881 2.766 ( 1.560 -0.025 -3.366) 3.710 2.920 ( -0.871 1.505 0.931) 1.973 2.941 ( -0.345 -0.356 0.493) 0.699 3.191 ( -0.729 0.072 -0.663) 0.988 3.204 ( -0.428 -1.091 -0.878) 1.464 3.576 ( 0.742 1.185 -0.191) 1.411 3.600 ( -1.063 -0.641 0.465) 1.325 3.827 ( 1.989 0.482 -1.360) 2.457 3.838 ( 2.390 -0.180 -1.880) 3.046 4.169 ( 0.703 2.254 4.846) 5.390 4.208 ( -0.632 -1.063 4.515) 4.681 4.694 ( -0.312 1.543 3.045) 3.428 4.700 ( -0.602 1.038 3.016) 3.246 5.087 ( -0.235 1.201 1.890) 2.252 5.130 ( 1.501 -2.610 0.483) 3.049 5.338 ( -0.993 1.372 -1.873) 2.525 5.367 ( -1.145 -0.983 -1.807) 2.354 6.005 ( -0.077 0.172 -0.168) 0.252 6.014 ( -0.776 -0.578 -0.290) 1.010 6.552 ( -0.035 0.021 -0.227) 0.231 6.554 ( -0.020 -0.151 -0.207) 0.257 6.601 ( -0.209 0.154 0.179) 0.316 6.606 ( -0.041 -0.271 0.050) 0.279 7.104 ( -0.227 0.021 -0.674) 0.711 7.111 ( 0.111 -0.527 -0.983) 1.121 7.201 ( -0.312 0.510 0.772) 0.976 7.209 ( 0.146 -0.165 0.413) 0.468 8.260 ( -1.435 2.022 1.295) 2.797 8.293 ( -0.869 -0.844 0.220) 1.231 12.233 ( 0.686 1.041 1.508) 1.957 12.261 ( -0.053 -1.452 1.201) 1.885 12.365 ( -0.137 0.011 -0.494) 0.512 12.368 ( 1.068 -0.259 -1.054) 1.523 12.978 ( -2.005 0.829 -1.427) 2.596 12.994 ( -1.857 -0.546 -2.151) 2.894 13.187 ( 0.639 0.596 0.741) 1.146 13.193 ( -1.071 0.107 0.990) 1.462 13.778 ( -0.820 1.353 -0.000) 1.582 13.809 ( 0.355 -1.392 -1.283) 1.926 ======================= Grid point 113 (66/84) ======================= q-point: (-0.44 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( -0.210 0.437 -2.355) 2.404 0.508 ( 0.272 -0.408 -2.665) 2.710 0.618 ( -1.125 -0.047 -1.744) 2.076 0.625 ( 0.169 -0.701 -1.504) 1.668 0.769 ( -2.783 0.833 0.346) 2.925 0.800 ( 1.024 -1.697 0.625) 2.079 0.912 ( 0.072 0.804 1.016) 1.297 0.934 ( 1.234 -1.032 -0.124) 1.614 1.004 ( -0.559 -0.312 0.583) 0.866 1.009 ( -0.902 -0.459 -0.918) 1.366 1.165 ( -2.844 1.487 -0.494) 3.247 1.177 ( -3.771 1.115 -1.236) 4.122 1.225 ( -0.195 2.250 -0.225) 2.270 1.235 ( -0.912 1.124 -1.066) 1.798 1.285 ( 3.197 -2.920 1.918) 4.736 1.372 ( 4.926 -8.300 -6.001) 11.365 1.489 ( 2.984 3.367 -3.331) 5.598 1.567 ( 1.716 -3.336 -6.158) 7.210 1.734 ( -3.838 1.775 0.047) 4.229 1.767 ( -0.681 -1.317 -1.064) 1.825 1.822 ( -0.733 1.585 2.707) 3.221 1.849 ( -0.909 -0.557 0.460) 1.161 1.944 ( -2.682 -0.223 1.278) 2.980 1.965 ( -1.491 -1.647 0.262) 2.237 2.085 ( -0.066 1.922 0.510) 1.990 2.120 ( 0.488 -0.729 -1.002) 1.332 2.279 ( 0.077 0.607 -0.249) 0.660 2.302 ( 0.990 -0.985 -1.400) 1.978 2.398 ( -2.952 0.163 5.191) 5.974 2.422 ( -2.208 -1.839 3.905) 4.849 2.584 ( -1.916 4.682 -0.524) 5.086 2.618 ( 0.239 2.066 0.470) 2.132 2.708 ( 0.283 0.848 -1.879) 2.080 2.735 ( 0.128 -1.342 -3.444) 3.699 2.925 ( -0.082 1.660 1.115) 2.001 2.956 ( 1.569 -1.018 0.119) 1.874 3.173 ( -0.674 0.076 0.190) 0.705 3.190 ( -0.062 -1.300 -0.263) 1.327 3.591 ( -0.283 1.298 0.182) 1.341 3.605 ( 1.787 -0.127 0.574) 1.882 3.815 ( -1.189 0.343 -1.235) 1.748 3.829 ( -0.439 -0.618 -1.802) 1.955 4.235 ( 0.122 1.337 2.955) 3.246 4.243 ( -0.117 0.690 2.282) 2.387 4.724 ( 0.142 1.872 2.214) 2.903 4.737 ( 0.905 0.880 1.659) 2.085 5.113 ( 0.032 1.268 1.954) 2.330 5.159 ( 1.548 -2.804 -0.142) 3.206 5.305 ( -0.703 0.982 -0.604) 1.350 5.324 ( -0.970 -0.662 -1.663) 2.036 6.005 ( 0.058 0.060 -0.212) 0.228 6.009 ( 0.815 -0.235 -0.166) 0.864 6.551 ( 0.124 0.093 -0.115) 0.193 6.553 ( 0.119 -0.027 -0.183) 0.220 6.602 ( 0.004 0.083 0.199) 0.216 6.607 ( 0.241 -0.380 -0.023) 0.451 7.095 ( 0.026 0.080 -0.386) 0.395 7.103 ( 0.336 -0.555 -0.655) 0.923 7.205 ( -0.328 0.607 0.547) 0.881 7.215 ( 0.199 -0.313 0.172) 0.409 8.272 ( 0.730 1.961 1.202) 2.414 8.297 ( 1.339 -0.252 -0.177) 1.374 12.256 ( -0.452 0.048 1.619) 1.682 12.262 ( -1.382 -0.433 0.723) 1.619 12.349 ( -0.844 0.789 -0.638) 1.320 12.371 ( 0.904 -1.150 -0.896) 1.715 12.952 ( 0.289 0.434 -0.406) 0.661 12.963 ( 0.520 -0.502 -0.932) 1.179 13.193 ( 0.240 1.620 0.344) 1.674 13.220 ( 2.738 -0.834 -0.152) 2.866 13.770 ( -0.457 1.196 0.310) 1.317 13.802 ( 0.774 -1.606 -1.116) 2.104 ======================= Grid point 114 (67/84) ======================= q-point: (-0.33 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( -0.373 1.175 0.064) 1.234 0.504 ( 1.062 -1.531 -0.030) 1.863 0.582 ( -1.717 1.749 -0.068) 2.452 0.622 ( -0.306 -1.851 0.574) 1.962 0.721 ( -3.074 4.026 0.369) 5.079 0.816 ( 0.499 -4.101 0.467) 4.158 0.920 ( 0.030 1.677 -0.202) 1.690 0.949 ( 1.324 -0.801 -0.713) 1.704 0.982 ( -2.120 1.982 0.707) 2.987 1.015 ( 0.064 -0.604 1.105) 1.261 1.103 ( -2.506 1.194 -0.685) 2.859 1.123 ( -3.809 0.741 1.019) 4.012 1.190 ( -2.167 5.991 -0.182) 6.374 1.268 ( 2.157 3.685 1.189) 4.433 1.354 ( 3.349 -5.530 -4.534) 7.896 1.394 ( 5.155 -6.846 2.715) 8.990 1.486 ( 0.409 -0.400 -1.537) 1.640 1.519 ( 0.905 -3.306 -4.076) 5.326 1.640 ( -7.159 2.350 -0.955) 7.595 1.692 ( -5.556 -2.354 -2.210) 6.426 1.835 ( -1.332 -0.016 1.368) 1.909 1.843 ( -1.138 -0.448 0.109) 1.228 1.935 ( -1.569 0.249 2.557) 3.010 1.951 ( -2.021 -1.047 2.032) 3.051 2.081 ( -0.542 1.040 -0.700) 1.366 2.103 ( -0.658 -0.744 -0.799) 1.275 2.272 ( -0.411 1.013 -0.307) 1.136 2.296 ( 0.591 -0.650 -1.291) 1.561 2.411 ( -3.034 1.327 3.917) 5.129 2.453 ( -1.690 -1.882 3.816) 4.578 2.514 ( -4.367 6.649 -0.764) 7.992 2.625 ( -1.211 -1.636 0.245) 2.050 2.681 ( -1.146 0.625 -1.265) 1.818 2.700 ( 0.335 -1.016 -1.343) 1.717 2.944 ( 1.326 1.934 0.102) 2.347 2.983 ( 2.257 -1.258 -0.662) 2.667 3.179 ( 0.117 0.054 1.044) 1.052 3.192 ( -0.295 -0.760 0.504) 0.958 3.585 ( 0.119 3.367 -0.658) 3.433 3.646 ( 2.575 -2.416 0.285) 3.543 3.766 ( -3.373 0.335 -0.776) 3.478 3.781 ( -3.085 -0.913 -1.122) 3.407 4.236 ( -0.660 1.968 -0.597) 2.160 4.270 ( 0.232 -0.985 0.338) 1.067 4.753 ( 1.235 1.572 0.153) 2.005 4.765 ( 1.298 0.595 -0.113) 1.432 5.127 ( -0.204 0.822 0.056) 0.848 5.158 ( 0.683 -1.926 -2.400) 3.152 5.309 ( 0.155 0.519 0.564) 0.782 5.314 ( 0.179 -0.021 2.334) 2.341 6.011 ( 0.873 0.585 -0.012) 1.051 6.024 ( 1.200 -0.447 -0.038) 1.281 6.552 ( 0.145 0.121 -0.084) 0.207 6.553 ( 0.187 0.029 -0.063) 0.199 6.606 ( 0.234 0.145 0.144) 0.311 6.613 ( 0.533 -0.417 -0.107) 0.686 7.095 ( 0.234 0.157 0.050) 0.287 7.104 ( 0.490 -0.575 -0.162) 0.773 7.206 ( -0.312 0.728 0.308) 0.849 7.219 ( 0.252 -0.462 -0.136) 0.544 8.309 ( 2.352 1.640 0.670) 2.945 8.327 ( 3.120 0.064 -0.502) 3.161 12.237 ( -2.326 0.792 -0.005) 2.458 12.259 ( -1.648 -1.336 0.835) 2.280 12.327 ( -1.196 1.668 -0.019) 2.053 12.372 ( 0.517 -2.254 -0.616) 2.393 12.975 ( 2.071 0.365 0.980) 2.320 12.984 ( 2.397 -0.349 0.605) 2.496 13.206 ( 1.615 3.019 -0.528) 3.465 13.264 ( 3.841 -2.192 -0.779) 4.491 13.773 ( -0.010 0.827 0.689) 1.076 13.804 ( 1.054 -1.937 -0.607) 2.288 ======================= Grid point 115 (68/84) ======================= q-point: (-0.22 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( 0.013 1.784 3.652) 4.065 0.533 ( 0.509 -1.630 2.345) 2.901 0.569 ( -0.919 3.670 1.636) 4.121 0.623 ( -1.573 -1.686 2.042) 3.080 0.711 ( 0.199 5.469 1.162) 5.595 0.828 ( 0.272 -4.474 0.130) 4.484 0.906 ( -0.295 2.061 -1.324) 2.467 0.944 ( -0.071 -1.268 -1.422) 1.906 0.972 ( -1.367 4.262 1.526) 4.729 1.014 ( -1.014 1.646 -0.472) 1.990 1.078 ( -1.654 0.202 0.167) 1.675 1.085 ( -2.376 -0.450 0.593) 2.489 1.151 ( -2.837 6.664 0.747) 7.281 1.303 ( 3.253 -2.272 -2.708) 4.804 1.354 ( 0.057 1.915 -0.875) 2.106 1.438 ( -3.516 -1.980 -2.888) 4.962 1.486 ( -3.775 -1.556 3.472) 5.360 1.490 ( -0.334 -3.955 3.431) 5.247 1.534 ( -2.846 0.280 -2.464) 3.774 1.592 ( -1.444 -4.866 -1.537) 5.304 1.801 ( -3.220 0.114 -0.646) 3.287 1.824 ( -0.253 -2.551 -0.809) 2.688 1.954 ( -1.006 1.637 3.619) 4.098 1.983 ( 0.288 -0.423 4.303) 4.333 2.048 ( -1.966 2.118 -0.938) 3.038 2.087 ( 0.053 -1.893 -1.404) 2.357 2.264 ( -0.111 1.648 -0.081) 1.654 2.291 ( 0.702 -0.151 -0.811) 1.083 2.396 ( -3.001 1.542 0.228) 3.381 2.419 ( -3.135 0.837 0.522) 3.287 2.505 ( -3.913 3.864 5.680) 7.906 2.595 ( -2.442 -3.763 1.543) 4.744 2.669 ( 0.523 0.419 -0.388) 0.775 2.694 ( -0.388 -1.502 0.300) 1.580 2.960 ( 1.817 2.079 -1.421) 3.105 3.001 ( 1.876 -1.211 -1.360) 2.615 3.182 ( -1.432 0.153 -0.072) 1.442 3.190 ( -0.868 -0.743 0.556) 1.270 3.584 ( 0.823 4.703 -0.281) 4.783 3.683 ( 1.782 -3.785 -0.311) 4.195 3.699 ( -3.624 0.354 -1.112) 3.808 3.721 ( -3.369 -1.540 0.455) 3.732 4.213 ( 0.449 1.861 -2.299) 2.992 4.262 ( 0.206 -2.519 -1.759) 3.080 4.759 ( 1.349 0.839 -2.324) 2.815 4.768 ( 0.932 0.010 -2.000) 2.206 5.113 ( -0.137 0.619 -1.171) 1.332 5.136 ( 0.779 -1.356 -2.219) 2.715 5.332 ( 0.270 1.598 1.912) 2.506 5.355 ( 0.281 -0.496 2.776) 2.834 6.029 ( 1.252 0.746 0.234) 1.476 6.042 ( 1.080 -0.369 0.192) 1.157 6.555 ( 0.208 0.166 0.136) 0.299 6.557 ( 0.240 -0.030 0.162) 0.292 6.611 ( 0.254 0.274 -0.036) 0.376 6.618 ( 0.506 -0.337 -0.396) 0.725 7.103 ( 0.275 0.225 0.481) 0.598 7.113 ( 0.483 -0.607 0.298) 0.831 7.204 ( -0.244 0.812 0.081) 0.851 7.219 ( 0.286 -0.550 -0.458) 0.771 8.352 ( 2.756 1.424 -0.259) 3.113 8.373 ( 3.553 -0.332 -0.550) 3.610 12.197 ( -2.375 1.283 -0.452) 2.737 12.227 ( -2.752 -1.464 -0.427) 3.147 12.316 ( -1.104 1.709 0.959) 2.249 12.370 ( 0.233 -2.900 -0.446) 2.943 13.030 ( 2.260 0.806 1.938) 3.085 13.044 ( 2.825 -0.466 2.234) 3.631 13.224 ( 2.177 4.386 -1.237) 5.050 13.313 ( 4.177 -3.641 -1.035) 5.637 13.787 ( 0.303 0.404 0.967) 1.091 13.817 ( 1.071 -2.213 -0.073) 2.460 ======================= Grid point 116 (69/84) ======================= q-point: (-0.11 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -0.556 2.554 4.702) 5.380 0.568 ( -0.445 1.923 3.283) 3.830 0.605 ( 0.374 0.920 3.257) 3.405 0.642 ( 0.039 -1.583 2.991) 3.384 0.738 ( 0.864 4.646 1.147) 4.863 0.819 ( -1.063 -2.023 -0.280) 2.303 0.884 ( 0.336 1.776 -1.849) 2.586 0.918 ( 0.136 -0.515 -2.365) 2.425 0.972 ( -1.048 3.897 0.809) 4.115 0.988 ( -0.922 2.505 -0.303) 2.687 1.043 ( -2.292 0.677 -0.798) 2.520 1.052 ( -0.748 -1.068 -1.368) 1.890 1.134 ( -2.878 4.363 2.307) 5.713 1.291 ( -2.019 -0.777 -2.313) 3.167 1.315 ( -7.283 -4.828 -1.417) 8.852 1.323 ( 4.398 -4.524 -3.887) 7.410 1.457 ( -3.072 0.527 1.243) 3.355 1.479 ( -0.054 -0.433 -1.941) 1.990 1.554 ( -0.976 -1.180 3.232) 3.576 1.589 ( 0.398 -2.819 0.986) 3.013 1.756 ( -1.725 2.931 0.858) 3.507 1.824 ( 1.008 -3.376 -0.739) 3.600 1.993 ( -2.246 3.396 3.224) 5.193 2.011 ( -0.490 2.429 1.873) 3.106 2.035 ( -0.238 0.259 0.704) 0.787 2.083 ( 2.002 -2.101 0.249) 2.912 2.270 ( 0.268 1.701 0.861) 1.925 2.292 ( -0.150 -0.086 0.295) 0.342 2.375 ( -0.307 -0.658 0.529) 0.898 2.388 ( -0.804 -1.554 -0.401) 1.795 2.502 ( -6.519 7.096 6.691) 11.732 2.609 ( -1.051 -1.324 3.721) 4.087 2.672 ( -0.042 -1.663 -0.430) 1.718 2.704 ( 0.896 -3.376 1.189) 3.689 2.960 ( 1.709 2.431 -2.595) 3.945 3.009 ( 1.826 -1.680 -1.521) 2.910 3.141 ( -2.504 0.494 -1.346) 2.885 3.165 ( -2.012 -1.449 -0.804) 2.607 3.597 ( -0.849 4.474 1.337) 4.746 3.640 ( -1.817 0.566 -0.712) 2.032 3.669 ( -1.410 -0.608 0.404) 1.588 3.725 ( 1.666 -5.160 0.057) 5.423 4.192 ( 1.208 1.240 -2.851) 3.336 4.236 ( 0.420 -2.790 -2.919) 4.060 4.734 ( 1.001 -0.040 -3.826) 3.955 4.741 ( 0.197 -0.591 -3.386) 3.443 5.102 ( 0.139 1.045 -0.436) 1.141 5.127 ( 1.153 -1.289 -1.372) 2.208 5.357 ( -0.470 1.944 1.946) 2.791 5.387 ( -0.178 -0.857 1.880) 2.073 6.050 ( 0.769 0.703 0.376) 1.107 6.060 ( 0.816 -0.189 0.260) 0.877 6.562 ( 0.205 0.190 0.411) 0.497 6.564 ( 0.228 -0.064 0.411) 0.475 6.612 ( 0.068 0.335 -0.240) 0.417 6.617 ( 0.291 -0.163 -0.595) 0.682 7.114 ( 0.132 0.258 0.782) 0.834 7.124 ( 0.303 -0.609 0.550) 0.875 7.201 ( -0.195 0.799 -0.149) 0.836 7.215 ( 0.249 -0.544 -0.746) 0.956 8.381 ( 1.707 1.241 -0.550) 2.181 8.409 ( 2.314 -1.049 -1.059) 2.752 12.160 ( -1.528 1.020 -0.507) 1.906 12.176 ( -2.505 -0.418 -0.731) 2.643 12.318 ( -0.729 1.437 1.350) 2.103 12.368 ( 0.317 -2.896 -0.412) 2.942 13.085 ( 0.876 1.684 2.511) 3.148 13.116 ( 1.473 -1.121 3.448) 3.913 13.236 ( 1.860 5.509 -1.650) 6.044 13.354 ( 3.303 -5.081 -1.885) 6.346 13.805 ( 0.168 0.076 1.156) 1.170 13.832 ( 0.812 -2.282 0.159) 2.428 ======================= Grid point 135 (70/84) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 0.732 0.000 -1.152) 1.365 0.599 ( -0.732 0.000 1.152) 1.365 0.634 ( -1.203 0.000 -1.902) 2.250 0.634 ( 1.203 0.000 1.902) 2.250 0.763 ( -1.166 0.000 -0.871) 1.456 0.763 ( 1.166 0.000 0.871) 1.456 0.864 ( 0.712 0.000 -0.531) 0.888 0.864 ( -0.712 0.000 0.531) 0.888 0.989 ( -0.561 0.000 -5.809) 5.836 0.989 ( 0.561 0.000 5.809) 5.836 1.004 ( -4.573 0.000 -0.280) 4.582 1.004 ( 4.573 0.000 0.280) 4.582 1.240 ( 7.587 0.000 -3.191) 8.231 1.240 ( -7.587 0.000 3.191) 8.231 1.416 ( -3.963 0.000 -0.871) 4.058 1.416 ( 3.963 0.000 0.871) 4.058 1.448 ( -2.178 0.000 -3.571) 4.183 1.448 ( 2.178 0.000 3.571) 4.183 1.617 ( 2.025 0.000 -2.130) 2.939 1.617 ( -2.025 0.000 2.130) 2.939 1.768 ( 0.169 0.000 -3.077) 3.082 1.768 ( -0.169 0.000 3.077) 3.082 1.978 ( 1.773 0.000 -3.475) 3.901 1.978 ( -1.773 0.000 3.475) 3.901 2.077 ( -3.088 0.000 0.099) 3.089 2.077 ( 3.088 0.000 -0.099) 3.089 2.292 ( 5.090 0.000 -8.492) 9.900 2.292 ( -5.090 0.000 8.492) 9.900 2.351 ( -3.726 0.000 0.866) 3.825 2.351 ( 3.726 0.000 -0.866) 3.825 2.455 ( 0.483 0.000 -6.965) 6.982 2.455 ( -0.483 0.000 6.965) 6.982 2.798 ( -1.216 0.000 -0.726) 1.416 2.798 ( 1.216 0.000 0.726) 1.416 2.985 ( 1.478 0.000 -6.005) 6.184 2.985 ( -1.478 0.000 6.005) 6.184 3.142 ( -0.076 0.000 -3.296) 3.297 3.142 ( 0.076 0.000 3.296) 3.297 3.619 ( 0.173 0.000 -0.899) 0.915 3.619 ( -0.173 0.000 0.899) 0.915 3.766 ( 3.001 0.000 -6.746) 7.383 3.766 ( -3.001 0.000 6.746) 7.383 4.190 ( -1.278 0.000 -2.890) 3.160 4.190 ( 1.278 0.000 2.890) 3.160 4.724 ( -0.477 0.000 -0.348) 0.591 4.724 ( 0.477 0.000 0.348) 0.591 5.116 ( 3.181 0.000 -3.252) 4.549 5.116 ( -3.181 0.000 3.252) 4.549 5.375 ( -0.512 0.000 -2.242) 2.299 5.375 ( 0.512 0.000 2.242) 2.299 6.056 ( -0.272 0.000 -0.754) 0.802 6.056 ( 0.272 0.000 0.754) 0.802 6.575 ( 0.016 0.000 -0.428) 0.428 6.575 ( -0.016 0.000 0.428) 0.428 6.601 ( -0.097 0.000 -0.028) 0.102 6.601 ( 0.097 0.000 0.028) 0.102 7.156 ( 0.055 0.000 -0.337) 0.341 7.156 ( -0.055 0.000 0.337) 0.341 7.178 ( 0.769 0.000 -1.492) 1.679 7.178 ( -0.769 0.000 1.492) 1.679 8.410 ( 1.984 0.000 -0.731) 2.114 8.410 ( -1.984 0.000 0.731) 2.114 12.114 ( -1.380 0.000 0.138) 1.387 12.114 ( 1.380 0.000 -0.138) 1.387 12.388 ( 1.121 0.000 -2.956) 3.161 12.388 ( -1.121 0.000 2.956) 3.161 13.063 ( -0.124 0.000 -0.448) 0.464 13.063 ( 0.124 0.000 0.448) 0.464 13.350 ( 1.331 0.000 -7.244) 7.365 13.350 ( -1.331 0.000 7.244) 7.365 13.883 ( 1.754 0.000 -1.781) 2.500 13.883 ( -1.754 0.000 1.781) 2.500 ======================= Grid point 137 (71/84) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 2.030 0.000 -7.073) 7.358 0.591 ( 1.179 0.000 -2.649) 2.900 0.627 ( 1.700 0.000 -0.466) 1.763 0.654 ( 0.571 0.000 -0.282) 0.637 0.729 ( -1.413 0.000 -1.536) 2.087 0.784 ( 0.529 0.000 -0.139) 0.546 0.862 ( -0.354 0.000 0.504) 0.616 0.891 ( 2.522 0.000 1.393) 2.882 0.926 ( 2.283 0.000 -5.240) 5.716 0.958 ( -0.372 0.000 -0.270) 0.460 1.025 ( -0.487 0.000 -1.306) 1.393 1.067 ( 0.884 0.000 2.682) 2.824 1.282 ( 2.949 0.000 7.003) 7.599 1.325 ( -2.537 0.000 -3.817) 4.583 1.358 ( 8.706 0.000 -0.477) 8.719 1.379 ( 1.420 0.000 -4.701) 4.911 1.466 ( 1.958 0.000 -0.148) 1.963 1.528 ( 5.189 0.000 -0.232) 5.194 1.617 ( 0.061 0.000 -0.555) 0.558 1.639 ( 5.364 0.000 -2.832) 6.066 1.748 ( -0.481 0.000 0.382) 0.614 1.817 ( -2.034 0.000 6.233) 6.556 1.950 ( 0.790 0.000 -3.235) 3.330 1.983 ( -0.376 0.000 0.031) 0.377 2.040 ( -2.129 0.000 0.073) 2.130 2.129 ( 2.894 0.000 0.596) 2.955 2.223 ( 4.090 0.000 -9.884) 10.696 2.291 ( -4.829 0.000 4.895) 6.876 2.349 ( -0.326 0.000 1.752) 1.782 2.387 ( 2.554 0.000 -6.045) 6.562 2.424 ( 3.197 0.000 1.404) 3.492 2.535 ( -0.466 0.000 5.252) 5.273 2.756 ( -2.470 0.000 -0.956) 2.649 2.811 ( -0.146 0.000 0.219) 0.263 2.929 ( 1.038 0.000 -4.666) 4.780 3.008 ( -3.746 0.000 2.535) 4.523 3.121 ( 1.944 0.000 -1.016) 2.194 3.183 ( 0.577 0.000 1.903) 1.989 3.622 ( 1.307 0.000 -2.954) 3.231 3.623 ( 2.141 0.000 -0.852) 2.304 3.731 ( 2.781 0.000 -4.059) 4.920 3.797 ( -3.754 0.000 5.269) 6.470 4.139 ( -2.819 0.000 0.172) 2.824 4.246 ( -0.886 0.000 4.884) 4.964 4.704 ( -2.389 0.000 0.773) 2.511 4.724 ( -1.841 0.000 1.241) 2.220 5.115 ( -3.211 0.000 3.994) 5.125 5.124 ( 2.767 0.000 -2.431) 3.684 5.337 ( 0.398 0.000 -3.299) 3.323 5.402 ( 0.480 0.000 0.458) 0.664 6.037 ( -0.546 0.000 -1.029) 1.165 6.062 ( -0.236 0.000 0.148) 0.278 6.567 ( 0.011 0.000 -0.749) 0.750 6.576 ( -0.027 0.000 -0.247) 0.248 6.600 ( -0.042 0.000 0.110) 0.118 6.604 ( -0.140 0.000 0.361) 0.387 7.148 ( 0.118 0.000 -1.052) 1.059 7.155 ( -0.230 0.000 -0.103) 0.252 7.174 ( 0.622 0.000 -0.582) 0.852 7.188 ( -0.942 0.000 1.883) 2.106 8.374 ( -4.101 0.000 1.005) 4.222 8.410 ( -0.697 0.000 -0.893) 1.133 12.113 ( 0.546 0.000 0.594) 0.807 12.153 ( 3.252 0.000 0.800) 3.349 12.372 ( 1.606 0.000 -2.497) 2.969 12.410 ( -1.033 0.000 2.611) 2.808 13.048 ( -1.118 0.000 -0.531) 1.238 13.066 ( -0.404 0.000 0.416) 0.580 13.256 ( -1.551 0.000 -6.418) 6.603 13.395 ( -5.078 0.000 6.656) 8.372 13.870 ( -3.216 0.000 2.103) 3.843 13.873 ( 0.082 0.000 -1.876) 1.878 ======================= Grid point 138 (72/84) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 4.511 0.000 -5.092) 6.803 0.571 ( 3.364 0.000 -4.890) 5.936 0.643 ( 1.456 0.000 -1.276) 1.936 0.658 ( -0.616 0.000 -1.317) 1.454 0.687 ( -0.036 0.000 -0.845) 0.845 0.785 ( 3.036 0.000 -1.505) 3.388 0.885 ( 3.657 0.000 -0.882) 3.762 0.929 ( 3.081 0.000 -0.918) 3.214 0.960 ( 1.285 0.000 1.510) 1.983 0.970 ( 1.105 0.000 0.699) 1.308 1.003 ( 1.504 0.000 0.901) 1.753 1.112 ( 1.597 0.000 1.138) 1.961 1.221 ( -1.150 0.000 -6.887) 6.982 1.294 ( -1.681 0.000 -2.450) 2.972 1.470 ( -0.169 0.000 -0.160) 0.233 1.492 ( 7.838 0.000 3.832) 8.724 1.497 ( 8.980 0.000 0.128) 8.981 1.579 ( 4.736 0.000 -4.018) 6.210 1.596 ( 0.004 0.000 -2.251) 2.251 1.693 ( 6.998 0.000 -4.260) 8.193 1.761 ( 0.275 0.000 1.464) 1.490 1.851 ( -3.759 0.000 5.306) 6.503 1.915 ( -3.059 0.000 0.550) 3.108 1.980 ( 1.904 0.000 -1.679) 2.539 2.035 ( 2.249 0.000 -0.221) 2.260 2.156 ( 2.095 0.000 -2.628) 3.361 2.192 ( 4.910 0.000 -5.066) 7.055 2.303 ( -4.407 0.000 7.155) 8.403 2.364 ( 2.875 0.000 -3.799) 4.764 2.375 ( 1.324 0.000 1.111) 1.728 2.470 ( 3.581 0.000 -2.379) 4.299 2.548 ( -3.149 0.000 0.606) 3.207 2.720 ( -1.938 0.000 0.766) 2.084 2.799 ( -1.709 0.000 -0.148) 1.716 2.903 ( 1.064 0.000 -1.778) 2.072 2.964 ( -3.546 0.000 0.478) 3.578 3.161 ( 1.932 0.000 1.811) 2.649 3.208 ( 0.097 0.000 1.082) 1.086 3.574 ( 1.153 0.000 -6.263) 6.368 3.662 ( 2.642 0.000 0.903) 2.791 3.753 ( 3.662 0.000 -0.888) 3.768 3.785 ( -4.164 0.000 2.155) 4.689 4.117 ( -2.283 0.000 2.486) 3.375 4.281 ( -2.745 0.000 4.438) 5.219 4.678 ( -3.104 0.000 1.755) 3.566 4.706 ( -3.198 0.000 2.039) 3.792 5.127 ( -2.890 0.000 4.871) 5.664 5.139 ( 2.558 0.000 -1.252) 2.848 5.304 ( 1.368 0.000 -3.823) 4.060 5.398 ( -0.163 0.000 -1.467) 1.476 6.016 ( -0.467 0.000 -0.914) 1.026 6.053 ( -0.718 0.000 -0.467) 0.856 6.557 ( -0.069 0.000 -0.674) 0.677 6.569 ( -0.101 0.000 -0.594) 0.603 6.605 ( 0.238 0.000 0.413) 0.476 6.607 ( -0.257 0.000 0.542) 0.600 7.134 ( 0.041 0.000 -1.164) 1.165 7.145 ( -0.515 0.000 -0.532) 0.740 7.180 ( 0.745 0.000 -0.218) 0.776 7.197 ( -1.051 0.000 1.808) 2.091 8.318 ( -5.073 0.000 1.347) 5.248 8.365 ( -2.592 0.000 -1.867) 3.194 12.142 ( 1.834 0.000 0.949) 2.066 12.223 ( 3.491 0.000 1.528) 3.810 12.371 ( 1.239 0.000 -1.171) 1.705 12.421 ( -1.464 0.000 1.955) 2.442 13.015 ( -2.110 0.000 -0.589) 2.190 13.060 ( -0.863 0.000 -0.258) 0.901 13.153 ( -1.904 0.000 -4.279) 4.683 13.367 ( -7.587 0.000 3.959) 8.558 13.842 ( -0.449 0.000 -2.207) 2.253 13.845 ( -3.944 0.000 2.429) 4.632 ======================= Grid point 139 (73/84) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 1.342 0.000 -4.001) 4.220 0.568 ( 1.373 0.000 -3.281) 3.556 0.600 ( -0.157 0.000 -2.419) 2.424 0.642 ( 1.132 0.000 -1.479) 1.863 0.717 ( 2.884 0.000 0.343) 2.904 0.844 ( 3.351 0.000 0.994) 3.496 0.921 ( 1.774 0.000 -1.794) 2.523 0.954 ( -1.983 0.000 1.068) 2.253 0.961 ( 2.366 0.000 -1.178) 2.643 1.032 ( 5.779 0.000 1.486) 5.967 1.083 ( 2.596 0.000 0.852) 2.732 1.132 ( 2.703 0.000 -6.523) 7.061 1.143 ( 1.864 0.000 -0.155) 1.871 1.240 ( -1.910 0.000 -0.128) 1.914 1.443 ( -2.650 0.000 0.539) 2.704 1.565 ( 1.840 0.000 -4.203) 4.588 1.584 ( 2.959 0.000 -2.015) 3.580 1.633 ( 7.652 0.000 0.384) 7.662 1.637 ( 4.697 0.000 2.206) 5.189 1.709 ( 5.814 0.000 -8.145) 10.007 1.781 ( -0.633 0.000 1.779) 1.889 1.833 ( -6.916 0.000 3.633) 7.812 1.906 ( -0.370 0.000 3.096) 3.118 2.005 ( 4.117 0.000 -1.572) 4.407 2.073 ( 0.915 0.000 1.240) 1.541 2.135 ( -0.066 0.000 -2.646) 2.647 2.230 ( 4.845 0.000 -1.171) 4.984 2.310 ( -1.540 0.000 0.844) 1.756 2.376 ( 1.414 0.000 -0.266) 1.439 2.419 ( 2.917 0.000 0.743) 3.010 2.483 ( 3.574 0.000 -3.154) 4.766 2.484 ( -4.295 0.000 -0.601) 4.337 2.699 ( -2.561 0.000 0.882) 2.709 2.753 ( -3.434 0.000 -0.688) 3.502 2.906 ( 1.186 0.000 -0.693) 1.374 2.929 ( -2.963 0.000 1.762) 3.447 3.210 ( 1.052 0.000 1.572) 1.891 3.214 ( -1.029 0.000 1.079) 1.491 3.522 ( 2.538 0.000 -4.769) 5.403 3.686 ( -4.203 0.000 1.726) 4.544 3.766 ( 2.111 0.000 0.136) 2.116 3.800 ( 3.167 0.000 -0.292) 3.180 4.133 ( -0.638 0.000 3.037) 3.103 4.274 ( -3.789 0.000 1.968) 4.270 4.660 ( -2.430 0.000 1.990) 3.141 4.686 ( -3.031 0.000 2.018) 3.642 5.155 ( -2.563 0.000 5.622) 6.179 5.171 ( 2.685 0.000 0.087) 2.686 5.276 ( 1.813 0.000 -4.000) 4.392 5.362 ( -0.811 0.000 -2.764) 2.880 6.001 ( -0.119 0.000 -0.555) 0.567 6.032 ( -0.920 0.000 -0.701) 1.156 6.549 ( -0.063 0.000 -0.354) 0.360 6.559 ( -0.130 0.000 -0.578) 0.593 6.610 ( -0.225 0.000 0.506) 0.554 6.614 ( 0.061 0.000 0.392) 0.396 7.121 ( -0.030 0.000 -0.798) 0.799 7.129 ( -0.419 0.000 -0.742) 0.852 7.189 ( 0.917 0.000 -0.310) 0.967 7.202 ( -1.095 0.000 1.498) 1.856 8.264 ( -4.509 0.000 1.668) 4.808 8.296 ( -2.175 0.000 -2.591) 3.383 12.190 ( 2.452 0.000 1.356) 2.803 12.288 ( 2.723 0.000 1.017) 2.906 12.364 ( -0.406 0.000 -1.341) 1.401 12.415 ( -2.202 0.000 1.299) 2.556 12.976 ( -2.206 0.000 -0.154) 2.211 13.013 ( -2.313 0.000 -2.401) 3.334 13.122 ( 1.648 0.000 -0.679) 1.782 13.290 ( -6.982 0.000 1.807) 7.212 13.810 ( 0.315 0.000 -2.251) 2.273 13.818 ( -3.876 0.000 2.550) 4.640 ======================= Grid point 140 (74/84) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 1.087 0.000 -1.647) 1.973 0.509 ( -2.288 0.000 -1.482) 2.726 0.617 ( 2.019 0.000 -0.205) 2.030 0.636 ( 0.083 0.000 -0.941) 0.944 0.777 ( 4.361 0.000 0.579) 4.399 0.854 ( -4.617 0.000 0.314) 4.627 0.915 ( 2.767 0.000 -1.556) 3.175 0.937 ( -2.204 0.000 1.099) 2.463 0.978 ( 4.549 0.000 -2.272) 5.085 1.047 ( -4.338 0.000 -1.381) 4.553 1.120 ( 5.935 0.000 -2.978) 6.640 1.153 ( -1.158 0.000 0.335) 1.205 1.176 ( 4.749 0.000 2.242) 5.251 1.242 ( -2.525 0.000 1.674) 3.030 1.445 ( 1.869 0.000 2.077) 2.794 1.519 ( -2.042 0.000 -2.760) 3.433 1.638 ( 6.821 0.000 -1.352) 6.954 1.681 ( -2.363 0.000 2.927) 3.762 1.683 ( 5.436 0.000 -7.490) 9.254 1.724 ( -1.467 0.000 1.595) 2.167 1.758 ( -2.244 0.000 0.545) 2.309 1.787 ( -1.778 0.000 1.190) 2.139 1.973 ( 2.143 0.000 4.285) 4.791 2.042 ( 2.897 0.000 -3.210) 4.324 2.085 ( -2.015 0.000 -0.990) 2.245 2.087 ( -0.874 0.000 0.718) 1.131 2.282 ( 2.063 0.000 0.486) 2.119 2.300 ( 0.788 0.000 -1.325) 1.542 2.388 ( 1.843 0.000 -1.019) 2.106 2.420 ( -3.861 0.000 0.580) 3.904 2.473 ( 2.944 0.000 0.093) 2.945 2.495 ( 1.060 0.000 -0.993) 1.453 2.674 ( -1.717 0.000 1.012) 1.993 2.692 ( -2.428 0.000 -0.950) 2.607 2.914 ( 1.762 0.000 -1.636) 2.405 2.917 ( -2.368 0.000 2.403) 3.374 3.212 ( -1.121 0.000 1.482) 1.858 3.221 ( 0.158 0.000 -0.880) 0.894 3.540 ( 4.785 0.000 -1.304) 4.960 3.613 ( -5.676 0.000 0.202) 5.680 3.815 ( 2.259 0.000 0.479) 2.309 3.830 ( 0.819 0.000 -0.121) 0.828 4.172 ( 1.159 0.000 2.338) 2.610 4.227 ( -3.163 0.000 -0.703) 3.240 4.658 ( -0.662 0.000 1.117) 1.298 4.668 ( -1.504 0.000 0.579) 1.612 5.191 ( -2.543 0.000 5.578) 6.131 5.209 ( 2.827 0.000 -2.094) 3.518 5.263 ( 1.603 0.000 -0.840) 1.810 5.307 ( -1.316 0.000 -2.907) 3.191 5.999 ( 0.352 0.000 -0.054) 0.356 6.010 ( -0.767 0.000 -0.456) 0.892 6.547 ( 0.025 0.000 0.059) 0.064 6.551 ( -0.109 0.000 -0.397) 0.411 6.613 ( -0.078 0.000 0.363) 0.372 6.616 ( -0.050 0.000 -0.046) 0.068 7.114 ( 0.014 0.000 -0.200) 0.200 7.116 ( -0.175 0.000 -0.407) 0.442 7.198 ( 1.026 0.000 -0.637) 1.208 7.203 ( -1.080 0.000 1.073) 1.522 8.233 ( -2.515 0.000 2.021) 3.226 8.244 ( -0.090 0.000 -2.427) 2.429 12.249 ( 2.605 0.000 1.676) 3.098 12.306 ( -2.046 0.000 -0.821) 2.205 12.353 ( 3.058 0.000 -1.143) 3.264 12.390 ( -2.945 0.000 0.838) 3.061 12.952 ( -1.225 0.000 0.651) 1.387 12.961 ( -0.674 0.000 -1.598) 1.734 13.157 ( 3.792 0.000 -0.630) 3.844 13.215 ( -5.458 0.000 1.221) 5.593 13.795 ( 1.656 0.000 -2.381) 2.900 13.798 ( -3.037 0.000 2.509) 3.939 ======================= Grid point 145 (75/84) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -0.678 1.512 -1.706) 2.379 0.617 ( 0.678 1.512 1.706) 2.379 0.649 ( -0.272 1.094 -2.147) 2.425 0.649 ( 0.272 1.094 2.147) 2.425 0.773 ( -0.468 0.732 -1.614) 1.833 0.773 ( 0.468 0.732 1.614) 1.833 0.859 ( 1.201 -0.032 -2.244) 2.546 0.859 ( -1.201 -0.032 2.244) 2.546 0.979 ( -1.046 -0.807 -4.454) 4.646 0.979 ( 1.046 -0.807 4.454) 4.646 1.009 ( -2.649 0.341 0.145) 2.674 1.009 ( 2.649 0.341 -0.145) 2.674 1.212 ( 2.334 -2.374 -3.573) 4.884 1.212 ( -2.334 -2.374 3.573) 4.884 1.354 ( 2.214 -2.061 -4.218) 5.190 1.354 ( -2.214 -2.061 4.218) 5.190 1.472 ( -0.196 -2.275 -3.708) 4.355 1.472 ( 0.196 -2.275 3.708) 4.355 1.649 ( 1.722 0.456 -2.801) 3.320 1.649 ( -1.722 0.456 2.801) 3.320 1.724 ( 2.822 0.269 -4.204) 5.070 1.724 ( -2.822 0.269 4.204) 5.070 1.983 ( 1.670 0.755 -2.912) 3.441 1.983 ( -1.670 0.755 2.912) 3.441 2.094 ( 1.135 1.350 -1.085) 2.071 2.094 ( -1.135 1.350 1.085) 2.071 2.305 ( 2.688 0.235 -3.099) 4.109 2.305 ( -2.688 0.235 3.099) 4.109 2.385 ( -0.382 1.530 -2.895) 3.297 2.385 ( 0.382 1.530 2.895) 3.297 2.485 ( 3.183 3.951 -6.683) 8.391 2.485 ( -3.183 3.951 6.683) 8.391 2.782 ( 0.079 -1.605 -1.497) 2.196 2.782 ( -0.079 -1.605 1.497) 2.196 2.967 ( 0.716 -1.213 -5.334) 5.517 2.967 ( -0.716 -1.213 5.334) 5.517 3.131 ( 0.133 -1.026 -2.716) 2.907 3.131 ( -0.133 -1.026 2.716) 2.907 3.616 ( 0.555 -0.129 -1.323) 1.440 3.616 ( -0.555 -0.129 1.323) 1.440 3.752 ( 2.295 -1.243 -5.655) 6.228 3.752 ( -2.295 -1.243 5.655) 6.228 4.174 ( -1.004 -1.266 -2.282) 2.796 4.174 ( 1.004 -1.266 2.282) 2.796 4.699 ( -0.922 -2.024 -0.054) 2.225 4.699 ( 0.922 -2.024 0.054) 2.225 5.112 ( 2.183 -0.167 -2.338) 3.203 5.112 ( -2.183 -0.167 2.338) 3.203 5.390 ( -0.359 0.875 -1.812) 2.044 5.390 ( 0.359 0.875 1.812) 2.044 6.060 ( 0.183 0.335 -0.743) 0.835 6.060 ( -0.183 0.335 0.743) 0.835 6.576 ( 0.016 0.075 -0.315) 0.324 6.576 ( -0.016 0.075 0.315) 0.324 6.603 ( -0.034 0.110 -0.153) 0.192 6.603 ( 0.034 0.110 0.153) 0.192 7.147 ( 0.345 -0.529 -0.591) 0.865 7.147 ( -0.345 -0.529 0.591) 0.865 7.186 ( 0.564 0.510 -1.002) 1.258 7.186 ( -0.564 0.510 1.002) 1.258 8.402 ( 0.282 -0.581 -1.128) 1.300 8.402 ( -0.282 -0.581 1.128) 1.300 12.123 ( -1.180 0.744 0.120) 1.400 12.123 ( 1.180 0.744 -0.120) 1.400 12.376 ( 0.969 -1.048 -2.492) 2.871 12.376 ( -0.969 -1.048 2.492) 2.871 13.096 ( 0.779 2.903 -1.404) 3.317 13.096 ( -0.779 2.903 1.404) 3.317 13.329 ( 1.304 -1.892 -6.497) 6.892 13.329 ( -1.304 -1.892 6.497) 6.892 13.866 ( 1.296 -1.408 -1.529) 2.449 13.866 ( -1.296 -1.408 1.529) 2.449 ======================= Grid point 147 (76/84) ======================= q-point: ( 0.11 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 0.972 2.218 -4.179) 4.830 0.608 ( 1.264 1.556 -4.451) 4.881 0.643 ( 1.387 1.179 -0.825) 1.999 0.666 ( 0.619 0.969 0.126) 1.157 0.734 ( -1.269 0.687 -2.263) 2.684 0.799 ( 0.732 1.078 0.781) 1.519 0.881 ( 2.964 -0.360 0.379) 3.010 0.889 ( 0.757 1.839 1.769) 2.662 0.909 ( 0.053 -1.620 -2.490) 2.971 0.957 ( -0.805 0.534 -1.277) 1.601 1.033 ( 0.718 0.617 -1.025) 1.395 1.050 ( 0.449 -1.429 2.498) 2.912 1.212 ( 2.939 -3.049 -0.472) 4.261 1.306 ( 6.398 -3.077 0.187) 7.102 1.362 ( 3.153 -2.195 -0.381) 3.861 1.373 ( 0.405 -0.656 0.348) 0.845 1.423 ( 0.961 -0.673 -1.781) 2.133 1.505 ( 0.112 -2.098 -0.032) 2.101 1.652 ( 0.015 -2.283 0.868) 2.443 1.658 ( 3.939 0.896 -2.133) 4.569 1.728 ( 2.975 0.229 -2.357) 3.803 1.771 ( -1.206 0.110 6.452) 6.564 1.971 ( 1.643 1.964 -2.635) 3.675 1.995 ( -0.559 0.978 1.447) 1.834 2.070 ( -1.595 2.231 -0.804) 2.859 2.098 ( 1.839 -1.573 -3.012) 3.864 2.284 ( 1.554 1.997 -4.702) 5.340 2.318 ( -1.292 2.739 2.820) 4.139 2.339 ( -1.936 -0.590 0.659) 2.129 2.391 ( -0.236 -0.795 -1.133) 1.404 2.485 ( 4.895 5.779 -3.445) 8.320 2.549 ( 0.598 1.688 3.957) 4.343 2.750 ( -1.540 -0.855 -1.187) 2.124 2.785 ( -1.508 -2.441 0.561) 2.924 2.917 ( 0.700 -0.496 -3.261) 3.372 3.004 ( -2.616 -0.482 2.908) 3.941 3.117 ( 2.012 -0.281 -0.925) 2.233 3.169 ( 1.031 -1.138 1.734) 2.316 3.623 ( 1.638 0.135 -2.403) 2.912 3.626 ( 1.836 0.244 -0.602) 1.948 3.716 ( 2.363 -1.261 -3.607) 4.493 3.777 ( -2.781 -1.776 3.725) 4.976 4.135 ( -2.478 -0.210 0.700) 2.584 4.221 ( -0.695 -2.101 4.249) 4.790 4.683 ( -2.419 -1.376 1.966) 3.407 4.714 ( -0.470 -1.213 1.285) 1.829 5.107 ( -1.581 -0.396 1.671) 2.334 5.115 ( 1.011 -0.495 -0.937) 1.465 5.358 ( -0.010 1.547 -2.380) 2.839 5.410 ( 0.284 0.351 0.285) 0.534 6.043 ( -0.970 0.504 -0.493) 1.200 6.064 ( -0.084 0.103 -0.166) 0.213 6.569 ( -0.064 0.124 -0.654) 0.669 6.575 ( -0.173 -0.099 -0.291) 0.352 6.602 ( 0.007 0.179 0.195) 0.265 6.605 ( -0.172 0.130 0.368) 0.427 7.140 ( 0.176 -0.528 -1.089) 1.223 7.145 ( -0.386 -0.607 -0.035) 0.720 7.185 ( 0.405 0.627 -0.272) 0.794 7.193 ( -0.652 0.380 1.418) 1.606 8.369 ( -3.215 -0.228 0.359) 3.243 8.405 ( -1.252 -0.527 0.157) 1.367 12.123 ( 0.590 0.916 0.615) 1.251 12.158 ( 2.988 0.372 0.648) 3.080 12.360 ( 1.357 -0.876 -2.366) 2.865 12.393 ( -0.812 -1.417 2.067) 2.634 13.076 ( -1.188 2.469 -0.940) 2.897 13.099 ( -0.845 2.907 0.727) 3.113 13.245 ( -1.347 -1.022 -5.892) 6.130 13.367 ( -4.511 -2.481 5.709) 7.687 13.850 ( -1.449 -1.426 -0.170) 2.040 13.862 ( -0.855 -1.110 -0.028) 1.402 ======================= Grid point 148 (77/84) ======================= q-point: ( 0.22 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 2.435 2.000 -4.502) 5.495 0.573 ( 3.001 0.611 -5.358) 6.172 0.631 ( 0.112 -0.858 -2.704) 2.839 0.668 ( -0.310 1.177 -1.372) 1.834 0.691 ( 0.752 0.265 -1.814) 1.981 0.825 ( 1.811 2.472 0.715) 3.147 0.892 ( 0.003 -2.418 0.543) 2.478 0.929 ( 3.559 3.440 -1.369) 5.135 0.942 ( 0.922 -1.328 1.554) 2.243 0.962 ( 2.431 -0.276 0.682) 2.540 1.040 ( 2.153 2.346 0.739) 3.269 1.094 ( 2.080 -1.165 1.073) 2.614 1.212 ( 4.514 -0.006 -7.219) 8.514 1.310 ( -3.832 0.211 -2.094) 4.372 1.365 ( 0.547 -5.407 -0.023) 5.435 1.449 ( 2.172 -3.860 0.535) 4.461 1.500 ( 5.089 -1.192 1.730) 5.506 1.514 ( 6.567 0.283 0.452) 6.589 1.660 ( 1.480 -1.945 -2.520) 3.511 1.703 ( 4.565 -1.724 -2.412) 5.443 1.761 ( 3.653 2.185 -0.036) 4.257 1.822 ( -3.003 -1.625 5.440) 6.422 1.958 ( -0.286 3.427 -1.441) 3.729 2.007 ( 1.240 1.541 -0.451) 2.029 2.036 ( 1.472 0.489 -2.252) 2.735 2.089 ( 0.363 -2.384 -0.599) 2.485 2.252 ( 1.836 2.160 -3.398) 4.425 2.300 ( -3.765 -1.291 1.390) 4.216 2.361 ( 1.421 1.160 1.394) 2.304 2.389 ( 0.313 0.056 0.662) 0.734 2.515 ( 7.151 5.499 -5.853) 10.753 2.587 ( -0.871 2.047 2.053) 3.027 2.711 ( -1.998 -1.259 -0.758) 2.480 2.756 ( -2.020 -2.865 -0.341) 3.523 2.906 ( 0.526 0.443 -0.305) 0.752 2.978 ( -3.009 0.953 0.845) 3.268 3.159 ( 2.337 0.090 1.261) 2.657 3.203 ( 0.785 -0.563 1.119) 1.478 3.573 ( -0.024 0.332 -4.949) 4.960 3.670 ( 2.621 0.348 0.804) 2.764 3.738 ( 2.305 -1.533 -0.215) 2.777 3.769 ( -1.006 -1.173 0.544) 1.638 4.124 ( -2.047 0.688 2.859) 3.583 4.258 ( -1.922 -2.060 4.206) 5.062 4.679 ( -2.591 0.285 3.084) 4.038 4.717 ( -2.122 0.410 2.146) 3.045 5.112 ( -1.815 -0.950 3.037) 3.663 5.123 ( 1.680 -1.149 -0.759) 2.173 5.328 ( 0.361 1.918 -2.609) 3.259 5.403 ( -0.203 0.184 -1.449) 1.475 6.020 ( -0.997 0.437 -0.524) 1.208 6.053 ( -0.632 -0.011 -0.547) 0.836 6.559 ( -0.136 0.118 -0.611) 0.637 6.566 ( -0.212 -0.211 -0.482) 0.567 6.607 ( -0.003 0.090 0.193) 0.213 6.608 ( -0.210 0.092 0.649) 0.688 7.126 ( 0.061 -0.535 -1.185) 1.302 7.135 ( -0.566 -0.697 -0.393) 0.980 7.190 ( 0.505 0.646 -0.073) 0.823 7.202 ( -0.776 0.309 1.435) 1.660 8.320 ( -4.175 0.377 0.929) 4.293 8.369 ( -2.927 0.073 -0.636) 2.996 12.153 ( 1.756 0.968 0.993) 2.238 12.222 ( 3.318 -0.189 1.334) 3.581 12.355 ( 1.335 -1.127 -1.773) 2.489 12.403 ( -1.054 -1.586 1.530) 2.443 13.036 ( -2.243 1.731 -1.107) 3.042 13.083 ( -2.117 1.683 -0.726) 2.800 13.156 ( -1.190 0.575 -3.139) 3.406 13.342 ( -6.529 -2.205 3.477) 7.719 13.822 ( -1.491 -1.135 -0.513) 1.943 13.842 ( -1.752 -0.679 0.179) 1.887 ======================= Grid point 149 (78/84) ======================= q-point: ( 0.33 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 0.635 0.182 -4.197) 4.249 0.566 ( -0.012 -0.101 -3.720) 3.722 0.590 ( 2.693 -0.889 -2.393) 3.711 0.647 ( 0.077 0.953 -1.071) 1.436 0.709 ( 3.362 -0.580 -0.851) 3.516 0.862 ( 0.278 0.994 1.332) 1.685 0.894 ( -0.359 -2.251 0.361) 2.308 0.944 ( -0.463 0.066 0.250) 0.531 0.968 ( 2.116 0.467 -0.543) 2.233 1.040 ( 5.178 -0.795 1.245) 5.385 1.096 ( 2.687 1.486 -0.265) 3.082 1.137 ( 2.812 0.301 -0.208) 2.836 1.176 ( 4.727 3.292 -8.230) 10.046 1.237 ( -1.269 0.234 -1.001) 1.633 1.358 ( -1.812 -5.346 0.844) 5.707 1.458 ( -0.382 -3.960 1.791) 4.363 1.593 ( 0.520 -2.847 0.923) 3.038 1.617 ( 1.835 -1.112 -3.849) 4.407 1.642 ( 7.867 -0.977 -2.476) 8.305 1.720 ( 2.152 -2.643 -1.359) 3.670 1.808 ( 2.012 2.934 -0.314) 3.571 1.824 ( -3.790 -0.220 3.491) 5.158 1.947 ( 0.715 2.308 0.216) 2.426 2.017 ( 2.849 0.229 -2.635) 3.887 2.059 ( 2.149 -0.383 0.128) 2.187 2.088 ( -1.872 -1.683 1.894) 3.150 2.253 ( 2.239 0.871 -1.475) 2.819 2.278 ( -0.112 -0.842 0.596) 1.037 2.394 ( 1.396 1.264 0.301) 1.907 2.414 ( 0.696 0.267 2.205) 2.327 2.537 ( 5.246 4.744 -5.772) 9.129 2.572 ( -2.324 4.402 -0.829) 5.046 2.675 ( -1.825 -1.936 0.568) 2.720 2.729 ( -1.115 -1.336 -0.226) 1.755 2.913 ( 0.257 0.572 0.262) 0.680 2.950 ( -2.620 1.517 1.435) 3.350 3.198 ( 0.608 -0.421 0.728) 1.038 3.218 ( 0.014 -0.498 0.311) 0.587 3.527 ( 1.401 0.963 -2.733) 3.218 3.677 ( -4.446 -1.176 1.524) 4.845 3.766 ( 3.693 0.061 -0.358) 3.711 3.797 ( 3.081 -0.413 -0.520) 3.151 4.147 ( -0.410 1.371 3.382) 3.673 4.268 ( -2.469 -0.609 2.297) 3.426 4.682 ( -1.893 1.802 2.537) 3.642 4.709 ( -2.511 1.699 2.156) 3.720 5.131 ( -1.675 -1.507 3.936) 4.535 5.150 ( 2.474 -1.755 -0.029) 3.033 5.299 ( 0.177 1.767 -2.395) 2.982 5.369 ( -0.569 0.342 -2.699) 2.779 6.003 ( -0.468 0.219 -0.358) 0.629 6.033 ( -0.961 -0.014 -0.630) 1.149 6.550 ( -0.103 0.116 -0.312) 0.349 6.557 ( -0.146 -0.150 -0.420) 0.470 6.608 ( -0.158 -0.113 0.279) 0.340 6.613 ( -0.194 -0.132 0.403) 0.466 7.113 ( 0.063 -0.555 -0.908) 1.067 7.120 ( -0.572 -0.657 -0.454) 0.982 7.197 ( 0.684 0.557 -0.208) 0.906 7.207 ( -0.828 0.294 1.191) 1.480 8.274 ( -3.697 1.034 1.375) 4.077 8.310 ( -2.571 0.941 -1.467) 3.106 12.199 ( 2.202 0.797 1.359) 2.707 12.281 ( 2.173 -0.698 1.073) 2.522 12.348 ( 0.778 -0.921 -1.780) 2.150 12.399 ( -1.655 -1.367 1.014) 2.374 12.987 ( -2.363 0.894 -0.739) 2.632 13.015 ( -2.704 0.114 -2.475) 3.667 13.142 ( 1.080 1.783 -0.116) 2.088 13.277 ( -6.041 -1.126 1.748) 6.389 13.797 ( -0.798 -0.731 -0.469) 1.179 13.817 ( -1.840 -0.400 0.224) 1.896 ======================= Grid point 150 (79/84) ======================= q-point: ( 0.44 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 0.902 -0.180 -1.496) 1.756 0.504 ( -1.780 -0.344 -1.805) 2.558 0.617 ( 2.165 -0.417 -0.627) 2.292 0.635 ( -0.537 -0.027 -0.424) 0.685 0.766 ( 4.635 -0.625 0.064) 4.677 0.836 ( -4.169 -1.344 0.211) 4.386 0.915 ( 1.930 0.063 -0.049) 1.932 0.935 ( -1.269 -0.150 0.421) 1.345 0.991 ( 2.569 0.716 -0.409) 2.697 1.043 ( -2.607 -0.706 -1.576) 3.128 1.151 ( 4.389 3.029 -3.341) 6.293 1.163 ( -0.432 1.333 1.235) 1.868 1.190 ( 4.707 -0.213 1.176) 4.857 1.238 ( 0.696 -0.299 -0.830) 1.124 1.359 ( 2.165 -6.169 0.690) 6.574 1.452 ( -5.286 -4.942 -0.778) 7.278 1.538 ( -0.817 -5.150 1.007) 5.310 1.583 ( -1.284 -4.309 -2.669) 5.229 1.724 ( 6.468 0.175 -2.498) 6.936 1.764 ( 1.089 -0.373 0.784) 1.393 1.795 ( -2.668 2.956 2.469) 4.685 1.822 ( -0.393 2.895 -0.772) 3.022 1.979 ( 2.143 -0.262 0.763) 2.290 2.015 ( 0.087 -2.024 -1.750) 2.677 2.081 ( 1.222 0.388 -0.445) 1.357 2.088 ( -1.439 0.211 1.832) 2.339 2.277 ( 1.951 -0.266 -0.194) 1.978 2.291 ( 0.075 -0.328 0.149) 0.368 2.430 ( 2.315 2.801 1.694) 4.009 2.462 ( 1.126 0.891 2.844) 3.186 2.504 ( -2.936 4.239 -2.767) 5.852 2.514 ( 0.399 1.830 -3.843) 4.275 2.681 ( 1.421 1.108 0.183) 1.811 2.708 ( -1.894 0.541 0.228) 1.983 2.921 ( 0.913 0.657 -0.246) 1.152 2.933 ( -1.899 1.107 1.148) 2.480 3.203 ( -0.762 -0.777 0.964) 1.454 3.211 ( 0.131 -0.967 -1.190) 1.539 3.550 ( 3.592 1.051 -0.154) 3.746 3.613 ( -4.662 -0.024 0.075) 4.663 3.813 ( 2.250 -0.178 -0.112) 2.260 3.824 ( 0.748 -0.504 -0.052) 0.903 4.194 ( 1.332 1.878 2.449) 3.362 4.243 ( -2.424 1.261 -0.347) 2.755 4.689 ( -0.312 2.457 0.993) 2.668 4.699 ( -1.474 2.356 0.848) 2.906 5.162 ( -1.523 -1.896 4.171) 4.828 5.179 ( 2.265 -2.185 -2.009) 3.734 5.284 ( 0.284 1.369 0.444) 1.467 5.320 ( -0.779 0.672 -2.956) 3.130 5.999 ( 0.323 0.066 -0.016) 0.330 6.011 ( -0.883 0.012 -0.383) 0.963 6.548 ( 0.002 0.104 0.040) 0.112 6.551 ( -0.083 0.005 -0.283) 0.295 6.610 ( -0.011 -0.272 0.201) 0.338 6.613 ( -0.189 -0.299 0.026) 0.354 7.106 ( 0.202 -0.579 -0.411) 0.738 7.109 ( -0.405 -0.606 -0.119) 0.738 7.204 ( 0.790 0.430 -0.489) 1.024 7.208 ( -0.826 0.335 0.843) 1.227 8.251 ( -1.858 1.480 1.642) 2.888 8.264 ( -0.601 1.479 -1.721) 2.347 12.251 ( 2.084 0.237 1.537) 2.600 12.294 ( -1.207 -0.862 -0.695) 1.638 12.351 ( 2.610 -0.200 -1.055) 2.823 12.380 ( -2.365 -0.866 0.688) 2.611 12.954 ( -1.251 0.203 0.212) 1.285 12.961 ( -0.815 -0.034 -1.413) 1.632 13.169 ( 2.823 1.029 -0.395) 3.030 13.215 ( -4.523 -0.019 1.085) 4.652 13.788 ( 0.240 -0.430 -0.310) 0.582 13.796 ( -1.254 -0.311 0.212) 1.309 ======================= Grid point 155 (80/84) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( -0.357 1.040 -1.071) 1.535 0.649 ( 0.357 1.040 1.071) 1.535 0.669 ( 0.772 0.579 -1.591) 1.861 0.669 ( -0.772 0.579 1.591) 1.861 0.788 ( 0.203 0.578 -1.239) 1.383 0.788 ( -0.203 0.578 1.239) 1.383 0.867 ( 0.992 0.313 -1.955) 2.215 0.867 ( -0.992 0.313 1.955) 2.215 0.970 ( -1.948 0.411 -2.446) 3.154 0.970 ( 1.948 0.411 2.446) 3.154 1.013 ( -0.625 -0.141 -0.792) 1.019 1.013 ( 0.625 -0.141 0.792) 1.019 1.168 ( 0.852 -1.091 -2.844) 3.163 1.168 ( -0.852 -1.091 2.844) 3.163 1.280 ( 1.057 -3.950 -2.305) 4.694 1.280 ( -1.057 -3.950 2.305) 4.694 1.446 ( 0.131 0.634 -0.466) 0.798 1.446 ( -0.131 0.634 0.466) 0.798 1.585 ( 1.865 -2.863 -1.384) 3.686 1.585 ( -1.865 -2.863 1.384) 3.686 1.805 ( -0.038 2.912 -0.787) 3.017 1.805 ( 0.038 2.912 0.787) 3.017 2.016 ( 0.898 1.873 -1.265) 2.432 2.016 ( -0.898 1.873 1.265) 2.432 2.110 ( 0.382 -0.237 -1.532) 1.596 2.110 ( -0.382 -0.237 1.532) 1.596 2.311 ( -0.405 0.468 -0.762) 0.982 2.311 ( 0.405 0.468 0.762) 0.982 2.384 ( 0.461 -0.748 -0.820) 1.202 2.384 ( -0.461 -0.748 0.820) 1.202 2.607 ( 5.529 5.899 -4.181) 9.102 2.607 ( -5.529 5.899 4.181) 9.102 2.721 ( 2.024 -4.018 -2.504) 5.149 2.721 ( -2.024 -4.018 2.504) 5.149 2.951 ( -0.318 -0.184 -2.234) 2.264 2.951 ( 0.318 -0.184 2.234) 2.264 3.103 ( -0.018 -1.123 -1.265) 1.692 3.103 ( 0.018 -1.123 1.265) 1.692 3.618 ( 0.628 0.246 -0.867) 1.098 3.618 ( -0.628 0.246 0.867) 1.098 3.723 ( 0.689 -1.047 -2.259) 2.584 3.723 ( -0.689 -1.047 2.259) 2.584 4.148 ( -0.334 -0.769 -0.845) 1.190 4.148 ( 0.334 -0.769 0.845) 1.190 4.659 ( -0.744 -1.200 0.149) 1.420 4.659 ( 0.744 -1.200 -0.149) 1.420 5.113 ( 0.682 0.154 -0.755) 1.029 5.113 ( -0.682 0.154 0.755) 1.029 5.401 ( -0.088 0.173 -0.721) 0.746 5.401 ( 0.088 0.173 0.721) 0.746 6.067 ( 0.301 0.259 -0.365) 0.539 6.067 ( -0.301 0.259 0.365) 0.539 6.577 ( 0.006 0.042 -0.098) 0.107 6.577 ( -0.006 0.042 0.098) 0.107 6.605 ( 0.006 0.068 -0.098) 0.119 6.605 ( -0.006 0.068 0.098) 0.119 7.139 ( 0.152 -0.217 -0.275) 0.381 7.139 ( -0.152 -0.217 0.275) 0.381 7.194 ( 0.199 0.210 -0.351) 0.455 7.194 ( -0.199 0.210 0.351) 0.455 8.391 ( 0.135 -0.356 -0.658) 0.760 8.391 ( -0.135 -0.356 0.658) 0.760 12.139 ( -0.409 0.569 0.011) 0.701 12.139 ( 0.409 0.569 -0.011) 0.701 12.353 ( 0.428 -0.749 -1.038) 1.350 12.353 ( -0.428 -0.749 1.038) 1.350 13.176 ( 1.278 3.994 -2.837) 5.064 13.176 ( -1.278 3.994 2.837) 5.064 13.271 ( 1.291 -3.317 -4.654) 5.859 13.271 ( -1.291 -3.317 4.654) 5.859 13.837 ( 0.395 -0.880 -0.628) 1.151 13.837 ( -0.395 -0.880 0.628) 1.151 ======================= Grid point 157 (81/84) ======================= q-point: ( 0.11 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 0.587 1.989 -2.521) 3.264 0.641 ( 1.016 0.865 -3.597) 3.837 0.663 ( 0.339 0.617 -1.962) 2.085 0.676 ( 0.145 -0.362 0.068) 0.396 0.770 ( -0.447 2.475 -1.618) 2.991 0.810 ( 0.759 -0.562 1.147) 1.486 0.866 ( -0.406 -0.728 -0.962) 1.274 0.877 ( -0.583 -1.149 1.803) 2.216 0.936 ( 0.157 2.977 2.162) 3.683 0.998 ( 0.347 1.741 0.089) 1.778 1.007 ( 0.186 -1.646 1.714) 2.384 1.041 ( 1.949 -0.470 0.093) 2.007 1.199 ( 5.979 2.175 -0.428) 6.377 1.243 ( 2.057 -1.389 1.115) 2.721 1.271 ( 1.810 -4.221 -1.832) 4.944 1.312 ( 5.285 -5.391 -0.208) 7.552 1.433 ( -0.664 1.426 1.821) 2.406 1.468 ( 0.753 -1.521 0.114) 1.701 1.594 ( 2.293 -0.503 -0.597) 2.423 1.625 ( 5.099 -2.568 -1.933) 6.028 1.771 ( -2.284 3.554 0.301) 4.235 1.816 ( -0.317 0.295 -0.116) 0.448 2.017 ( 0.774 1.496 0.014) 1.685 2.025 ( 0.417 1.445 0.499) 1.585 2.074 ( -0.721 0.290 -3.127) 3.222 2.104 ( -0.989 -0.323 -0.879) 1.362 2.297 ( -0.013 0.018 -0.839) 0.839 2.310 ( -0.230 -0.999 -1.823) 2.091 2.373 ( 0.056 1.198 0.055) 1.201 2.385 ( 0.077 0.059 -0.463) 0.473 2.581 ( -2.833 3.707 3.103) 5.603 2.646 ( 4.801 4.631 -3.629) 7.593 2.684 ( -2.154 -3.575 -0.126) 4.176 2.740 ( 2.120 -2.230 -2.487) 3.957 2.927 ( -0.671 1.612 0.128) 1.751 2.976 ( -1.034 -2.206 1.988) 3.145 3.117 ( 2.482 0.619 0.583) 2.624 3.142 ( 2.225 -1.320 1.306) 2.898 3.628 ( 0.357 0.380 -0.202) 0.560 3.633 ( 1.969 0.172 -0.160) 1.983 3.696 ( 1.374 0.055 -3.000) 3.301 3.728 ( -0.286 -2.400 0.013) 2.417 4.139 ( -1.660 0.711 1.846) 2.583 4.170 ( -0.844 -2.150 3.025) 3.806 4.663 ( -1.058 -0.151 2.675) 2.881 4.680 ( 0.142 -1.520 2.133) 2.623 5.105 ( -0.822 0.144 0.133) 0.845 5.109 ( -0.388 -0.162 -0.204) 0.468 5.389 ( 0.023 1.178 -1.063) 1.587 5.408 ( 0.111 -0.561 -0.108) 0.582 6.056 ( -1.131 0.587 -0.058) 1.276 6.064 ( -0.429 -0.139 -0.278) 0.530 6.571 ( -0.252 0.089 -0.454) 0.526 6.573 ( -0.306 -0.071 -0.359) 0.477 6.606 ( -0.022 0.133 0.257) 0.290 6.607 ( -0.135 0.031 0.335) 0.363 7.132 ( -0.051 -0.135 -0.807) 0.819 7.134 ( -0.330 -0.345 -0.327) 0.579 7.196 ( 0.110 0.343 0.211) 0.417 7.199 ( -0.246 0.075 0.786) 0.827 8.371 ( -2.230 0.470 0.404) 2.314 8.388 ( -1.726 -0.927 0.798) 2.115 12.148 ( 1.017 1.139 0.612) 1.645 12.163 ( 2.105 -0.133 0.535) 2.176 12.346 ( 0.757 -0.190 -1.345) 1.555 12.359 ( -0.094 -1.359 0.524) 1.459 13.140 ( -1.073 3.007 -2.686) 4.173 13.173 ( -2.408 2.304 0.049) 3.334 13.220 ( -0.874 0.082 -2.326) 2.486 13.294 ( -3.286 -4.120 3.957) 6.590 13.826 ( -0.587 -0.462 -0.605) 0.961 13.835 ( -0.402 -1.115 -0.250) 1.211 ======================= Grid point 158 (82/84) ======================= q-point: ( 0.22 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -0.545 0.964 -4.817) 4.943 0.598 ( 0.424 0.553 -3.518) 3.586 0.625 ( 0.627 1.453 -3.768) 4.087 0.669 ( 1.043 -1.486 -2.174) 2.832 0.737 ( -0.700 3.969 -1.302) 4.235 0.823 ( -0.670 -3.429 0.594) 3.544 0.870 ( 0.358 1.330 1.938) 2.378 0.904 ( 0.216 -1.857 2.231) 2.911 0.983 ( 1.295 2.474 1.255) 3.061 1.012 ( 2.112 2.665 -0.384) 3.422 1.057 ( 2.117 -0.725 1.924) 2.951 1.081 ( 2.984 -0.714 0.454) 3.102 1.233 ( 5.063 0.842 -6.525) 8.302 1.249 ( -1.723 -2.185 1.045) 2.972 1.326 ( 3.653 0.736 2.970) 4.765 1.409 ( 2.911 -2.056 -0.096) 3.565 1.474 ( -0.058 -1.212 2.126) 2.448 1.491 ( 4.881 -1.656 1.126) 5.276 1.597 ( 3.701 0.442 -5.023) 6.254 1.658 ( 3.574 -2.966 -5.044) 6.857 1.780 ( 1.898 0.406 1.700) 2.580 1.801 ( -1.146 -1.276 1.110) 2.043 2.015 ( -1.013 1.586 -2.850) 3.415 2.038 ( 1.470 1.849 -0.337) 2.386 2.049 ( 0.013 -0.314 2.049) 2.073 2.065 ( -0.061 -0.605 -2.810) 2.875 2.279 ( 0.255 0.510 -1.877) 1.961 2.282 ( -1.057 0.092 -0.152) 1.071 2.388 ( 1.549 0.902 0.460) 1.851 2.396 ( 0.318 0.409 1.862) 1.933 2.594 ( 0.120 0.995 1.386) 1.710 2.638 ( -2.424 -2.986 -1.336) 4.071 2.669 ( 4.449 4.366 -3.591) 7.193 2.729 ( 1.542 -0.963 -3.001) 3.508 2.930 ( -0.612 1.926 1.274) 2.389 2.976 ( -1.450 -1.537 1.175) 2.418 3.170 ( 2.298 0.873 0.940) 2.631 3.188 ( 1.691 -0.694 0.610) 1.927 3.599 ( -1.353 2.035 -1.820) 3.047 3.652 ( -1.333 -2.298 1.204) 2.917 3.715 ( 4.404 0.244 -1.440) 4.640 3.738 ( 3.301 -1.538 -1.135) 3.815 4.151 ( -1.331 1.875 3.563) 4.241 4.203 ( -0.929 -2.736 3.950) 4.893 4.692 ( -1.086 0.878 3.836) 4.082 4.712 ( -0.705 -0.773 3.162) 3.331 5.099 ( -0.803 -0.205 0.921) 1.240 5.103 ( -0.183 -0.576 0.236) 0.649 5.371 ( -0.227 1.734 -1.605) 2.373 5.398 ( -0.242 -0.732 -1.338) 1.544 6.034 ( -1.404 0.760 -0.181) 1.606 6.048 ( -0.994 -0.463 -0.378) 1.160 6.561 ( -0.289 0.071 -0.434) 0.526 6.562 ( -0.356 -0.107 -0.359) 0.517 6.608 ( -0.230 0.067 0.228) 0.331 6.609 ( -0.218 -0.005 0.384) 0.442 7.118 ( -0.178 -0.119 -0.952) 0.975 7.122 ( -0.485 -0.443 -0.571) 0.871 7.202 ( 0.147 0.391 0.322) 0.527 7.206 ( -0.302 0.020 0.845) 0.898 8.337 ( -3.254 1.110 0.951) 3.567 8.361 ( -2.983 -0.835 0.656) 3.166 12.181 ( 1.817 1.536 1.006) 2.583 12.210 ( 2.544 -0.968 1.015) 2.905 12.342 ( 1.079 0.179 -1.380) 1.761 12.364 ( 0.051 -1.693 0.211) 1.707 13.077 ( -2.540 1.725 -2.552) 3.993 13.101 ( -3.299 -0.350 -3.109) 4.547 13.198 ( -1.617 3.342 1.035) 3.855 13.278 ( -4.312 -3.559 2.658) 6.191 13.807 ( -0.673 -0.044 -0.752) 1.010 13.820 ( -0.693 -1.106 -0.561) 1.421 ======================= Grid point 159 (83/84) ======================= q-point: ( 0.33 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( -0.320 0.697 -4.045) 4.117 0.543 ( -0.692 -1.516 -3.552) 3.924 0.606 ( 1.792 2.106 -2.533) 3.750 0.651 ( 0.248 -1.498 -2.182) 2.658 0.732 ( 1.808 3.425 -0.516) 3.907 0.816 ( -1.131 -3.690 0.578) 3.903 0.902 ( 0.351 1.324 1.586) 2.096 0.929 ( -0.454 -1.175 1.474) 1.939 0.996 ( 0.692 1.858 -0.647) 2.086 1.033 ( 0.486 -0.334 -0.642) 0.872 1.105 ( 3.558 0.836 -0.368) 3.674 1.142 ( 3.760 -0.752 0.406) 3.856 1.227 ( 2.914 -0.017 -3.582) 4.618 1.241 ( -0.641 -0.797 0.719) 1.250 1.349 ( -3.596 4.961 -3.313) 6.966 1.411 ( 1.027 1.267 3.776) 4.113 1.470 ( -5.086 -6.251 -0.757) 8.094 1.538 ( 2.381 -6.210 -5.824) 8.840 1.640 ( 7.760 0.720 -1.131) 7.875 1.666 ( 6.262 -1.749 -0.462) 6.518 1.824 ( 0.362 0.451 1.869) 1.957 1.836 ( 2.044 -0.293 0.997) 2.293 1.974 ( -0.231 1.255 -1.555) 2.011 2.008 ( -0.334 -1.318 -2.701) 3.024 2.076 ( 2.002 0.885 -0.290) 2.208 2.078 ( 0.203 0.439 1.652) 1.721 2.270 ( 0.369 0.649 -0.297) 0.803 2.277 ( 0.198 0.007 0.393) 0.440 2.418 ( -0.022 1.663 1.888) 2.515 2.445 ( 1.367 0.586 3.087) 3.426 2.577 ( -0.012 0.677 -3.682) 3.744 2.622 ( 0.773 -1.564 0.982) 2.002 2.685 ( 2.271 2.832 -2.162) 4.225 2.714 ( 1.514 -0.088 -2.584) 2.996 2.935 ( -0.621 1.561 0.881) 1.897 2.966 ( -1.802 -0.577 0.961) 2.122 3.193 ( 0.083 0.038 -0.255) 0.271 3.202 ( 0.196 -0.645 -0.513) 0.847 3.572 ( -0.366 2.824 0.063) 2.849 3.633 ( -2.569 -2.632 1.191) 3.866 3.769 ( 4.325 0.300 -1.000) 4.449 3.782 ( 3.619 -0.807 -0.971) 3.833 4.191 ( 0.137 2.476 3.702) 4.456 4.242 ( -0.376 -1.913 3.184) 3.734 4.722 ( -0.955 1.514 2.935) 3.438 4.736 ( -1.267 0.394 2.636) 2.951 5.108 ( -0.640 -0.473 2.133) 2.277 5.115 ( 0.812 -1.145 0.825) 1.628 5.339 ( -0.690 1.713 -1.997) 2.720 5.366 ( -0.623 -0.701 -2.371) 2.549 6.013 ( -0.984 0.670 -0.164) 1.202 6.027 ( -1.120 -0.515 -0.338) 1.279 6.553 ( -0.180 0.091 -0.192) 0.278 6.555 ( -0.195 -0.088 -0.189) 0.285 6.607 ( -0.288 0.012 0.134) 0.318 6.609 ( -0.323 -0.190 0.198) 0.424 7.104 ( -0.149 -0.168 -0.759) 0.792 7.107 ( -0.489 -0.442 -0.474) 0.812 7.208 ( 0.229 0.347 0.153) 0.442 7.211 ( -0.307 0.046 0.651) 0.721 8.303 ( -2.906 1.353 1.116) 3.394 8.321 ( -2.661 -0.146 0.123) 2.668 12.224 ( 1.737 1.438 1.193) 2.551 12.256 ( 1.605 -1.469 0.895) 2.353 12.342 ( 1.254 0.463 -1.215) 1.807 12.365 ( -0.168 -1.530 0.047) 1.540 13.006 ( -2.681 0.687 -1.863) 3.336 13.015 ( -2.927 -0.165 -2.461) 3.827 13.191 ( -0.947 2.513 0.882) 2.827 13.242 ( -3.720 -2.050 1.511) 4.508 13.789 ( -0.412 0.125 -0.555) 0.702 13.802 ( -0.669 -0.858 -0.618) 1.251 ======================= Grid point 160 (84/84) ======================= q-point: ( 0.44 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( 0.396 0.504 -1.197) 1.358 0.497 ( -0.675 -0.458 -1.718) 1.902 0.606 ( 1.132 0.020 -0.753) 1.359 0.623 ( -0.692 -1.115 -1.199) 1.778 0.771 ( 2.962 1.181 0.161) 3.193 0.804 ( -1.366 -1.579 0.214) 2.099 0.918 ( 0.150 0.244 0.512) 0.587 0.928 ( -0.831 -0.558 0.129) 1.010 1.001 ( 0.782 0.280 -0.056) 0.832 1.018 ( -0.831 -1.204 -0.597) 1.580 1.162 ( 4.428 -0.260 -0.152) 4.438 1.192 ( 3.872 -0.548 -1.756) 4.287 1.220 ( -0.763 0.283 -0.414) 0.913 1.230 ( -2.505 1.537 0.382) 2.964 1.285 ( -0.551 0.165 -0.010) 0.575 1.338 ( -5.454 -4.171 -2.866) 7.440 1.463 ( 0.044 -0.794 3.209) 3.306 1.503 ( 1.133 -3.477 -4.067) 5.469 1.733 ( 4.407 0.673 -0.009) 4.458 1.749 ( 2.333 -0.779 0.679) 2.552 1.842 ( -0.120 1.420 1.137) 1.823 1.856 ( 0.096 0.230 -0.410) 0.479 1.967 ( 0.665 -0.152 -0.339) 0.761 1.980 ( -0.261 -1.213 -1.145) 1.688 2.094 ( 1.136 0.606 -0.325) 1.328 2.098 ( -0.183 0.370 0.886) 0.977 2.279 ( 0.437 0.292 0.363) 0.639 2.285 ( 0.162 -0.268 -0.070) 0.321 2.441 ( 0.205 0.450 1.856) 1.921 2.471 ( -1.416 -1.936 0.018) 2.399 2.574 ( 3.233 5.447 0.187) 6.337 2.626 ( -1.342 3.225 -0.862) 3.598 2.689 ( 0.760 -0.933 0.264) 1.232 2.705 ( 1.046 -0.547 -2.080) 2.392 2.938 ( 0.212 0.830 0.219) 0.884 2.949 ( -1.506 0.059 0.485) 1.584 3.183 ( -0.101 -0.615 -0.400) 0.740 3.189 ( -0.694 -0.898 -0.395) 1.202 3.585 ( 0.942 1.796 0.759) 2.165 3.610 ( -1.809 -0.469 0.217) 1.882 3.808 ( 1.889 -0.187 -0.486) 1.960 3.811 ( 1.237 -0.518 -0.326) 1.380 4.241 ( 1.043 2.001 2.033) 3.037 4.263 ( -0.622 0.133 0.806) 1.026 4.738 ( -0.234 1.583 0.981) 1.877 4.743 ( -0.879 1.196 1.025) 1.803 5.131 ( -0.401 -0.711 2.180) 2.328 5.138 ( 0.909 -1.309 -0.054) 1.594 5.310 ( -0.349 0.972 -0.537) 1.164 5.324 ( -0.594 -0.288 -2.106) 2.207 6.003 ( -0.109 0.286 -0.016) 0.307 6.009 ( -0.717 -0.210 -0.176) 0.767 6.550 ( -0.034 0.090 0.012) 0.097 6.551 ( -0.052 0.007 -0.080) 0.096 6.605 ( -0.101 -0.136 0.057) 0.178 6.606 ( -0.211 -0.243 0.009) 0.322 7.095 ( 0.048 -0.263 -0.351) 0.441 7.097 ( -0.311 -0.368 -0.118) 0.496 7.212 ( 0.281 0.242 -0.102) 0.384 7.213 ( -0.296 0.128 0.378) 0.497 8.284 ( -1.262 1.187 0.908) 1.956 8.291 ( -0.943 0.646 -0.446) 1.227 12.260 ( 1.068 0.604 0.977) 1.568 12.276 ( 0.094 -0.799 -0.036) 0.805 12.348 ( 1.228 0.112 -0.684) 1.410 12.359 ( -0.744 -0.851 0.111) 1.136 12.958 ( -1.263 0.112 -0.527) 1.373 12.960 ( -1.054 -0.063 -1.073) 1.505 13.194 ( 0.509 1.090 0.145) 1.211 13.211 ( -2.218 -0.435 0.695) 2.364 13.782 ( 0.006 -0.044 -0.111) 0.120 13.787 ( -0.408 -0.442 -0.363) 0.702 =================== 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 3/19440 10.0 3.207 2.157 4.275 0.000 -0.438 0.000 3/19440 20.0 1.009 0.712 1.270 0.000 -0.123 0.000 3/19440 30.0 0.643 0.469 0.774 0.000 -0.092 0.000 3/19440 40.0 0.496 0.370 0.584 0.000 -0.080 0.000 3/19440 50.0 0.413 0.312 0.481 0.000 -0.072 0.000 3/19440 60.0 0.358 0.271 0.415 0.000 -0.065 0.000 3/19440 70.0 0.317 0.241 0.367 0.000 -0.059 0.000 3/19440 80.0 0.286 0.217 0.329 0.000 -0.053 0.000 3/19440 90.0 0.261 0.197 0.299 0.000 -0.049 0.000 3/19440 100.0 0.240 0.181 0.275 0.000 -0.046 0.000 3/19440 110.0 0.222 0.168 0.254 0.000 -0.042 0.000 3/19440 120.0 0.207 0.156 0.237 0.000 -0.040 0.000 3/19440 130.0 0.194 0.147 0.221 0.000 -0.037 0.000 3/19440 140.0 0.183 0.138 0.208 0.000 -0.035 0.000 3/19440 150.0 0.173 0.130 0.196 0.000 -0.033 0.000 3/19440 160.0 0.164 0.124 0.186 0.000 -0.032 0.000 3/19440 170.0 0.156 0.118 0.176 0.000 -0.030 0.000 3/19440 180.0 0.149 0.112 0.168 0.000 -0.029 0.000 3/19440 190.0 0.142 0.107 0.160 0.000 -0.028 0.000 3/19440 200.0 0.136 0.103 0.153 0.000 -0.026 0.000 3/19440 210.0 0.131 0.099 0.147 0.000 -0.025 0.000 3/19440 220.0 0.125 0.095 0.141 0.000 -0.024 0.000 3/19440 230.0 0.121 0.091 0.135 0.000 -0.024 0.000 3/19440 240.0 0.116 0.088 0.130 0.000 -0.023 0.000 3/19440 250.0 0.112 0.085 0.126 0.000 -0.022 0.000 3/19440 260.0 0.109 0.082 0.121 0.000 -0.021 0.000 3/19440 270.0 0.105 0.079 0.117 0.000 -0.021 0.000 3/19440 280.0 0.102 0.077 0.113 0.000 -0.020 0.000 3/19440 290.0 0.099 0.074 0.110 0.000 -0.019 0.000 3/19440 300.0 0.096 0.072 0.106 0.000 -0.019 0.000 3/19440 310.0 0.093 0.070 0.103 0.000 -0.018 0.000 3/19440 320.0 0.090 0.068 0.100 0.000 -0.018 0.000 3/19440 330.0 0.088 0.066 0.097 0.000 -0.017 0.000 3/19440 340.0 0.085 0.064 0.095 0.000 -0.017 0.000 3/19440 350.0 0.083 0.063 0.092 0.000 -0.016 0.000 3/19440 360.0 0.081 0.061 0.090 0.000 -0.016 0.000 3/19440 370.0 0.079 0.060 0.088 0.000 -0.015 0.000 3/19440 380.0 0.077 0.058 0.085 0.000 -0.015 0.000 3/19440 390.0 0.075 0.057 0.083 0.000 -0.015 0.000 3/19440 400.0 0.073 0.055 0.081 0.000 -0.014 0.000 3/19440 410.0 0.072 0.054 0.080 0.000 -0.014 0.000 3/19440 420.0 0.070 0.053 0.078 0.000 -0.014 0.000 3/19440 430.0 0.069 0.052 0.076 0.000 -0.013 0.000 3/19440 440.0 0.067 0.051 0.074 0.000 -0.013 0.000 3/19440 450.0 0.066 0.050 0.073 0.000 -0.013 0.000 3/19440 460.0 0.064 0.049 0.071 0.000 -0.013 0.000 3/19440 470.0 0.063 0.048 0.070 0.000 -0.012 0.000 3/19440 480.0 0.062 0.047 0.068 0.000 -0.012 0.000 3/19440 490.0 0.061 0.046 0.067 0.000 -0.012 0.000 3/19440 500.0 0.060 0.045 0.066 0.000 -0.012 0.000 3/19440 510.0 0.058 0.044 0.065 0.000 -0.011 0.000 3/19440 520.0 0.057 0.043 0.063 0.000 -0.011 0.000 3/19440 530.0 0.056 0.043 0.062 0.000 -0.011 0.000 3/19440 540.0 0.055 0.042 0.061 0.000 -0.011 0.000 3/19440 550.0 0.054 0.041 0.060 0.000 -0.011 0.000 3/19440 560.0 0.053 0.040 0.059 0.000 -0.011 0.000 3/19440 570.0 0.053 0.040 0.058 0.000 -0.010 0.000 3/19440 580.0 0.052 0.039 0.057 0.000 -0.010 0.000 3/19440 590.0 0.051 0.038 0.056 0.000 -0.010 0.000 3/19440 600.0 0.050 0.038 0.055 0.000 -0.010 0.000 3/19440 610.0 0.049 0.037 0.054 0.000 -0.010 0.000 3/19440 620.0 0.049 0.037 0.054 0.000 -0.010 0.000 3/19440 630.0 0.048 0.036 0.053 0.000 -0.009 0.000 3/19440 640.0 0.047 0.036 0.052 0.000 -0.009 0.000 3/19440 650.0 0.046 0.035 0.051 0.000 -0.009 0.000 3/19440 660.0 0.046 0.035 0.050 0.000 -0.009 0.000 3/19440 670.0 0.045 0.034 0.050 0.000 -0.009 0.000 3/19440 680.0 0.044 0.034 0.049 0.000 -0.009 0.000 3/19440 690.0 0.044 0.033 0.048 0.000 -0.009 0.000 3/19440 700.0 0.043 0.033 0.048 0.000 -0.008 0.000 3/19440 710.0 0.043 0.032 0.047 0.000 -0.008 0.000 3/19440 720.0 0.042 0.032 0.046 0.000 -0.008 0.000 3/19440 730.0 0.041 0.031 0.046 0.000 -0.008 0.000 3/19440 740.0 0.041 0.031 0.045 0.000 -0.008 0.000 3/19440 750.0 0.040 0.030 0.045 0.000 -0.008 0.000 3/19440 760.0 0.040 0.030 0.044 0.000 -0.008 0.000 3/19440 770.0 0.039 0.030 0.043 0.000 -0.008 0.000 3/19440 780.0 0.039 0.029 0.043 0.000 -0.008 0.000 3/19440 790.0 0.038 0.029 0.042 0.000 -0.008 0.000 3/19440 800.0 0.038 0.029 0.042 0.000 -0.007 0.000 3/19440 810.0 0.037 0.028 0.041 0.000 -0.007 0.000 3/19440 820.0 0.037 0.028 0.041 0.000 -0.007 0.000 3/19440 830.0 0.037 0.028 0.040 0.000 -0.007 0.000 3/19440 840.0 0.036 0.027 0.040 0.000 -0.007 0.000 3/19440 850.0 0.036 0.027 0.039 0.000 -0.007 0.000 3/19440 860.0 0.035 0.027 0.039 0.000 -0.007 0.000 3/19440 870.0 0.035 0.026 0.039 0.000 -0.007 0.000 3/19440 880.0 0.035 0.026 0.038 0.000 -0.007 0.000 3/19440 890.0 0.034 0.026 0.038 0.000 -0.007 0.000 3/19440 900.0 0.034 0.026 0.037 0.000 -0.007 0.000 3/19440 910.0 0.033 0.025 0.037 0.000 -0.007 0.000 3/19440 920.0 0.033 0.025 0.036 0.000 -0.007 0.000 3/19440 930.0 0.033 0.025 0.036 0.000 -0.006 0.000 3/19440 940.0 0.032 0.024 0.036 0.000 -0.006 0.000 3/19440 950.0 0.032 0.024 0.035 0.000 -0.006 0.000 3/19440 960.0 0.032 0.024 0.035 0.000 -0.006 0.000 3/19440 970.0 0.031 0.024 0.035 0.000 -0.006 0.000 3/19440 980.0 0.031 0.023 0.034 0.000 -0.006 0.000 3/19440 990.0 0.031 0.023 0.034 0.000 -0.006 0.000 3/19440 1000.0 0.030 0.023 0.034 0.000 -0.006 0.000 3/19440 Thermal conductivity related properties were written into "kappa-m956.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:32:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|