----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:40:48]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 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 6.127581070002075 0.000000000000000 0.000000000000000 b 0.000000000000000 6.072375820000002 0.000000000000000 c -6.041582587500520 0.000000000000000 8.574360089268245 Atomic positions (fractional): *1 O 0.29950559614223 0.00769839307873 0.72940897345232 15.999 2 O 0.70049440385777 0.50769839307873 0.77059102654768 15.999 3 O 0.70049440385777 0.99230160692127 0.27059102654768 15.999 4 O 0.29950559614223 0.49230160692127 0.22940897345232 15.999 *5 O 0.79600255109917 0.21920767103601 0.53802589236355 15.999 6 O 0.20399744890083 0.71920767103601 0.96197410763645 15.999 7 O 0.20399744890083 0.78079232896399 0.46197410763645 15.999 8 O 0.79600255109917 0.28079232896399 0.03802589236355 15.999 *9 O 0.82421394113381 0.74712534630282 0.03887967402748 15.999 10 O 0.17578605886619 0.24712534630281 0.46112032597252 15.999 11 O 0.17578605886619 0.25287465369718 0.96112032597252 15.999 12 O 0.82421394113381 0.75287465369718 0.53887967402748 15.999 *13 Nb 0.00000000000000 0.50000000000000 0.00000000000000 92.906 14 Nb 0.00000000000000 0.00000000000000 0.50000000000000 92.906 *15 Ba 0.24164271662323 0.48794364004019 0.74839871366286 137.327 16 Ba 0.24164271662323 0.01205635995981 0.24839871366286 137.327 17 Ba 0.75835728337677 0.98794364004019 0.75160128633714 137.327 18 Ba 0.75835728337677 0.51205635995981 0.25160128633714 137.327 *19 Pr 0.50000000000000 0.50000000000000 0.50000000000000 140.908 20 Pr 0.50000000000000 0.00000000000000 0.00000000000000 140.908 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.127581070002075 0.000000000000000 0.000000000000000 b 0.000000000000000 6.072375820000002 0.000000000000000 c -6.041582587500520 0.000000000000000 8.574360089268245 Atomic positions (fractional): *1 O 0.29950559614223 0.00769839307873 0.72940897345232 15.999 > 1 2 O 0.70049440385777 0.50769839307873 0.77059102654768 15.999 > 2 3 O 0.70049440385777 0.99230160692127 0.27059102654768 15.999 > 3 4 O 0.29950559614223 0.49230160692127 0.22940897345232 15.999 > 4 *5 O 0.79600255109917 0.21920767103601 0.53802589236355 15.999 > 5 6 O 0.20399744890083 0.71920767103601 0.96197410763645 15.999 > 6 7 O 0.20399744890083 0.78079232896399 0.46197410763645 15.999 > 7 8 O 0.79600255109917 0.28079232896399 0.03802589236355 15.999 > 8 *9 O 0.82421394113381 0.74712534630282 0.03887967402748 15.999 > 9 10 O 0.17578605886619 0.24712534630281 0.46112032597252 15.999 > 10 11 O 0.17578605886619 0.25287465369718 0.96112032597252 15.999 > 11 12 O 0.82421394113381 0.75287465369718 0.53887967402748 15.999 > 12 *13 Nb 0.00000000000000 0.50000000000000 0.00000000000000 92.906 > 13 14 Nb 0.00000000000000 0.00000000000000 0.50000000000000 92.906 > 14 *15 Ba 0.24164271662323 0.48794364004019 0.74839871366286 137.327 > 15 16 Ba 0.24164271662323 0.01205635995981 0.24839871366286 137.327 > 16 17 Ba 0.75835728337677 0.98794364004019 0.75160128633714 137.327 > 17 18 Ba 0.75835728337677 0.51205635995981 0.25160128633714 137.327 > 18 *19 Pr 0.50000000000000 0.50000000000000 0.50000000000000 140.908 > 19 20 Pr 0.50000000000000 0.00000000000000 0.00000000000000 140.908 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.255162140004151 0.000000000000000 0.000000000000000 b 0.000000000000000 12.144751640000004 0.000000000000000 c -6.041582587500520 0.000000000000000 8.574360089268245 Atomic positions (fractional): *1 O 0.14975279807111 0.00384919653937 0.72940897345232 15.999 > 1 2 O 0.64975279807111 0.00384919653937 0.72940897345232 15.999 > 1 3 O 0.14975279807111 0.50384919653937 0.72940897345232 15.999 > 1 4 O 0.64975279807111 0.50384919653937 0.72940897345232 15.999 > 1 5 O 0.35024720192889 0.25384919653937 0.77059102654768 15.999 > 2 6 O 0.85024720192889 0.25384919653937 0.77059102654768 15.999 > 2 7 O 0.35024720192889 0.75384919653937 0.77059102654768 15.999 > 2 8 O 0.85024720192889 0.75384919653937 0.77059102654768 15.999 > 2 9 O 0.35024720192889 0.49615080346063 0.27059102654768 15.999 > 3 10 O 0.85024720192889 0.49615080346063 0.27059102654768 15.999 > 3 11 O 0.35024720192889 0.99615080346063 0.27059102654768 15.999 > 3 12 O 0.85024720192889 0.99615080346063 0.27059102654768 15.999 > 3 13 O 0.14975279807111 0.24615080346063 0.22940897345232 15.999 > 4 14 O 0.64975279807111 0.24615080346063 0.22940897345232 15.999 > 4 15 O 0.14975279807111 0.74615080346063 0.22940897345232 15.999 > 4 16 O 0.64975279807111 0.74615080346063 0.22940897345232 15.999 > 4 *17 O 0.39800127554958 0.10960383551801 0.53802589236355 15.999 > 5 18 O 0.89800127554958 0.10960383551801 0.53802589236355 15.999 > 5 19 O 0.39800127554958 0.60960383551801 0.53802589236355 15.999 > 5 20 O 0.89800127554958 0.60960383551801 0.53802589236355 15.999 > 5 21 O 0.10199872445042 0.35960383551801 0.96197410763645 15.999 > 6 22 O 0.60199872445042 0.35960383551801 0.96197410763645 15.999 > 6 23 O 0.10199872445042 0.85960383551801 0.96197410763645 15.999 > 6 24 O 0.60199872445042 0.85960383551801 0.96197410763645 15.999 > 6 25 O 0.10199872445042 0.39039616448199 0.46197410763645 15.999 > 7 26 O 0.60199872445042 0.39039616448199 0.46197410763645 15.999 > 7 27 O 0.10199872445042 0.89039616448199 0.46197410763645 15.999 > 7 28 O 0.60199872445042 0.89039616448199 0.46197410763645 15.999 > 7 29 O 0.39800127554958 0.14039616448199 0.03802589236355 15.999 > 8 30 O 0.89800127554958 0.14039616448199 0.03802589236355 15.999 > 8 31 O 0.39800127554958 0.64039616448199 0.03802589236355 15.999 > 8 32 O 0.89800127554958 0.64039616448199 0.03802589236355 15.999 > 8 *33 O 0.41210697056691 0.37356267315141 0.03887967402748 15.999 > 9 34 O 0.91210697056691 0.37356267315141 0.03887967402748 15.999 > 9 35 O 0.41210697056691 0.87356267315141 0.03887967402748 15.999 > 9 36 O 0.91210697056691 0.87356267315141 0.03887967402748 15.999 > 9 37 O 0.08789302943309 0.12356267315141 0.46112032597252 15.999 > 10 38 O 0.58789302943309 0.12356267315141 0.46112032597252 15.999 > 10 39 O 0.08789302943309 0.62356267315141 0.46112032597252 15.999 > 10 40 O 0.58789302943309 0.62356267315141 0.46112032597252 15.999 > 10 41 O 0.08789302943309 0.12643732684859 0.96112032597252 15.999 > 11 42 O 0.58789302943309 0.12643732684859 0.96112032597252 15.999 > 11 43 O 0.08789302943309 0.62643732684859 0.96112032597252 15.999 > 11 44 O 0.58789302943309 0.62643732684859 0.96112032597252 15.999 > 11 45 O 0.41210697056691 0.37643732684859 0.53887967402748 15.999 > 12 46 O 0.91210697056691 0.37643732684859 0.53887967402748 15.999 > 12 47 O 0.41210697056691 0.87643732684859 0.53887967402748 15.999 > 12 48 O 0.91210697056691 0.87643732684859 0.53887967402748 15.999 > 12 *49 Nb 0.00000000000000 0.25000000000000 0.00000000000000 92.906 > 13 50 Nb 0.50000000000000 0.25000000000000 0.00000000000000 92.906 > 13 51 Nb 0.00000000000000 0.75000000000000 0.00000000000000 92.906 > 13 52 Nb 0.50000000000000 0.75000000000000 0.00000000000000 92.906 > 13 53 Nb 0.00000000000000 0.00000000000000 0.50000000000000 92.906 > 14 54 Nb 0.50000000000000 0.00000000000000 0.50000000000000 92.906 > 14 55 Nb 0.00000000000000 0.50000000000000 0.50000000000000 92.906 > 14 56 Nb 0.50000000000000 0.50000000000000 0.50000000000000 92.906 > 14 *57 Ba 0.12082135831162 0.24397182002010 0.74839871366286 137.327 > 15 58 Ba 0.62082135831162 0.24397182002010 0.74839871366286 137.327 > 15 59 Ba 0.12082135831162 0.74397182002010 0.74839871366286 137.327 > 15 60 Ba 0.62082135831162 0.74397182002010 0.74839871366286 137.327 > 15 61 Ba 0.12082135831162 0.00602817997990 0.24839871366286 137.327 > 16 62 Ba 0.62082135831162 0.00602817997990 0.24839871366286 137.327 > 16 63 Ba 0.12082135831162 0.50602817997990 0.24839871366286 137.327 > 16 64 Ba 0.62082135831162 0.50602817997990 0.24839871366286 137.327 > 16 65 Ba 0.37917864168838 0.49397182002010 0.75160128633714 137.327 > 17 66 Ba 0.87917864168838 0.49397182002010 0.75160128633714 137.327 > 17 67 Ba 0.37917864168838 0.99397182002010 0.75160128633714 137.327 > 17 68 Ba 0.87917864168838 0.99397182002010 0.75160128633714 137.327 > 17 69 Ba 0.37917864168838 0.25602817997990 0.25160128633714 137.327 > 18 70 Ba 0.87917864168838 0.25602817997990 0.25160128633714 137.327 > 18 71 Ba 0.37917864168838 0.75602817997990 0.25160128633714 137.327 > 18 72 Ba 0.87917864168838 0.75602817997990 0.25160128633714 137.327 > 18 *73 Pr 0.25000000000000 0.25000000000000 0.50000000000000 140.908 > 19 74 Pr 0.75000000000000 0.25000000000000 0.50000000000000 140.908 > 19 75 Pr 0.25000000000000 0.75000000000000 0.50000000000000 140.908 > 19 76 Pr 0.75000000000000 0.75000000000000 0.50000000000000 140.908 > 19 77 Pr 0.25000000000000 0.00000000000000 0.00000000000000 140.908 > 20 78 Pr 0.75000000000000 0.00000000000000 0.00000000000000 140.908 > 20 79 Pr 0.25000000000000 0.50000000000000 0.00000000000000 140.908 > 20 80 Pr 0.75000000000000 0.50000000000000 0.00000000000000 140.908 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0792888 0.0000000 0.0097623 0.0000000 5.0335239 0.0000000 0.0097617 0.0000000 5.0093691 -------------------------- Born effective charges -------------------------- 1 O -2.1137524 0.0212327 -0.3907281 0.0322753 -1.8183027 -0.0463683 -0.3039984 -0.0307695 -4.8751827 2 O -2.1137524 -0.0212327 -0.3907281 -0.0322753 -1.8183027 0.0463683 -0.3039984 0.0307695 -4.8751827 3 O -2.1137524 0.0212327 -0.3907281 0.0322753 -1.8183027 -0.0463683 -0.3039984 -0.0307695 -4.8751827 4 O -2.1137524 -0.0212327 -0.3907281 -0.0322753 -1.8183027 0.0463683 -0.3039984 0.0307695 -4.8751827 5 O -3.5112009 1.4764940 0.1291865 1.4648795 -3.3722748 -0.1074589 0.2098528 -0.1435813 -1.9280831 6 O -3.5112009 -1.4764940 0.1291865 -1.4648795 -3.3722748 0.1074589 0.2098528 0.1435813 -1.9280831 7 O -3.5112009 1.4764940 0.1291865 1.4648795 -3.3722748 -0.1074589 0.2098528 -0.1435813 -1.9280831 8 O -3.5112009 -1.4764940 0.1291865 -1.4648795 -3.3722748 0.1074589 0.2098528 0.1435813 -1.9280831 9 O -3.3413133 1.4265127 0.1229812 1.4981828 -3.5348434 -0.1811215 0.1992965 -0.2446876 -1.9397849 10 O -3.3413133 -1.4265127 0.1229812 -1.4981828 -3.5348434 0.1811215 0.1992965 0.2446876 -1.9397849 11 O -3.3413133 1.4265127 0.1229812 1.4981828 -3.5348434 -0.1811215 0.1992965 -0.2446876 -1.9397849 12 O -3.3413133 -1.4265127 0.1229812 -1.4981828 -3.5348434 0.1811215 0.1992965 0.2446876 -1.9397849 13 Nb 7.1394258 -0.0698266 -0.1987223 -0.0179875 7.1401360 -0.0658274 0.0207613 -0.0324909 7.2395088 14 Nb 7.1394258 0.0698266 -0.1987223 0.0179875 7.1401360 0.0658274 0.0207613 0.0324909 7.2395088 15 Ba 2.8031401 -0.0792571 -0.0364326 -0.0775853 2.6776110 0.0100469 0.0419117 0.0261720 2.5872325 16 Ba 2.8031401 0.0792571 -0.0364326 0.0775853 2.6776110 -0.0100469 0.0419117 -0.0261720 2.5872325 17 Ba 2.8031401 0.0792571 -0.0364326 0.0775853 2.6776110 -0.0100469 0.0419117 -0.0261720 2.5872325 18 Ba 2.8031401 -0.0792571 -0.0364326 -0.0775853 2.6776110 0.0100469 0.0419117 0.0261720 2.5872325 19 Pr 5.1868271 -0.1500200 0.5487084 0.0769753 4.9554839 0.0356616 -0.3148864 0.0604070 5.0721277 20 Pr 5.1868271 0.1500200 0.5487084 -0.0769753 4.9554839 -0.0356616 -0.3148864 -0.0604070 5.0721277 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 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: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 393), data: True |-- (404, 392), data: True |-- (404, 392), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 640 - Time: 0.372 Solver_block: 200 / 640 - Time: 0.345 Solver_block: 300 / 640 - Time: 0.340 Solver_block: 400 / 640 - Time: 0.341 Solver_block: 500 / 640 - Time: 0.341 Solver_block: 600 / 640 - Time: 0.340 Solver_block: 640 / 640 - Time: 0.154 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.270 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 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: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 393), data: True |-- (404, 392), data: True |-- (404, 392), 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 2026-01-07 23:41:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:41:12]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.127581070002075 0.000000000000000 0.000000000000000 b 0.000000000000000 6.072375820000002 0.000000000000000 c -6.041582587500520 0.000000000000000 8.574360089268245 Atomic positions (fractional): 1 O 0.29950559614223 0.00769839307873 0.72940897345232 15.999 2 O 0.70049440385777 0.50769839307873 0.77059102654768 15.999 3 O 0.70049440385777 0.99230160692127 0.27059102654768 15.999 4 O 0.29950559614223 0.49230160692127 0.22940897345232 15.999 5 O 0.79600255109917 0.21920767103601 0.53802589236355 15.999 6 O 0.20399744890083 0.71920767103601 0.96197410763645 15.999 7 O 0.20399744890083 0.78079232896399 0.46197410763645 15.999 8 O 0.79600255109917 0.28079232896399 0.03802589236355 15.999 9 O 0.82421394113381 0.74712534630282 0.03887967402748 15.999 10 O 0.17578605886619 0.24712534630281 0.46112032597252 15.999 11 O 0.17578605886619 0.25287465369718 0.96112032597252 15.999 12 O 0.82421394113381 0.75287465369718 0.53887967402748 15.999 13 Nb 0.00000000000000 0.50000000000000 0.00000000000000 92.906 14 Nb 0.00000000000000 0.00000000000000 0.50000000000000 92.906 15 Ba 0.24164271662323 0.48794364004019 0.74839871366286 137.327 16 Ba 0.24164271662323 0.01205635995981 0.24839871366286 137.327 17 Ba 0.75835728337677 0.98794364004019 0.75160128633714 137.327 18 Ba 0.75835728337677 0.51205635995981 0.25160128633714 137.327 19 Pr 0.50000000000000 0.50000000000000 0.50000000000000 140.908 20 Pr 0.50000000000000 0.00000000000000 0.00000000000000 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.255162140004151 0.000000000000000 0.000000000000000 b 0.000000000000000 12.144751640000004 0.000000000000000 c -6.041582587500520 0.000000000000000 8.574360089268245 Atomic positions (fractional): 1 O 0.14975279807111 0.00384919653937 0.72940897345232 15.999 > 1 2 O 0.64975279807111 0.00384919653937 0.72940897345232 15.999 > 1 3 O 0.14975279807111 0.50384919653937 0.72940897345232 15.999 > 1 4 O 0.64975279807111 0.50384919653937 0.72940897345232 15.999 > 1 5 O 0.35024720192889 0.25384919653937 0.77059102654768 15.999 > 5 6 O 0.85024720192889 0.25384919653937 0.77059102654768 15.999 > 5 7 O 0.35024720192889 0.75384919653937 0.77059102654768 15.999 > 5 8 O 0.85024720192889 0.75384919653937 0.77059102654768 15.999 > 5 9 O 0.35024720192889 0.49615080346063 0.27059102654768 15.999 > 9 10 O 0.85024720192889 0.49615080346063 0.27059102654768 15.999 > 9 11 O 0.35024720192889 0.99615080346063 0.27059102654768 15.999 > 9 12 O 0.85024720192889 0.99615080346063 0.27059102654768 15.999 > 9 13 O 0.14975279807111 0.24615080346063 0.22940897345232 15.999 > 13 14 O 0.64975279807111 0.24615080346063 0.22940897345232 15.999 > 13 15 O 0.14975279807111 0.74615080346063 0.22940897345232 15.999 > 13 16 O 0.64975279807111 0.74615080346063 0.22940897345232 15.999 > 13 17 O 0.39800127554958 0.10960383551801 0.53802589236355 15.999 > 17 18 O 0.89800127554958 0.10960383551801 0.53802589236355 15.999 > 17 19 O 0.39800127554958 0.60960383551801 0.53802589236355 15.999 > 17 20 O 0.89800127554958 0.60960383551801 0.53802589236355 15.999 > 17 21 O 0.10199872445042 0.35960383551801 0.96197410763645 15.999 > 21 22 O 0.60199872445042 0.35960383551801 0.96197410763645 15.999 > 21 23 O 0.10199872445042 0.85960383551801 0.96197410763645 15.999 > 21 24 O 0.60199872445042 0.85960383551801 0.96197410763645 15.999 > 21 25 O 0.10199872445042 0.39039616448199 0.46197410763645 15.999 > 25 26 O 0.60199872445042 0.39039616448199 0.46197410763645 15.999 > 25 27 O 0.10199872445042 0.89039616448199 0.46197410763645 15.999 > 25 28 O 0.60199872445042 0.89039616448199 0.46197410763645 15.999 > 25 29 O 0.39800127554958 0.14039616448199 0.03802589236355 15.999 > 29 30 O 0.89800127554958 0.14039616448199 0.03802589236355 15.999 > 29 31 O 0.39800127554958 0.64039616448199 0.03802589236355 15.999 > 29 32 O 0.89800127554958 0.64039616448199 0.03802589236355 15.999 > 29 33 O 0.41210697056691 0.37356267315141 0.03887967402748 15.999 > 33 34 O 0.91210697056691 0.37356267315141 0.03887967402748 15.999 > 33 35 O 0.41210697056691 0.87356267315141 0.03887967402748 15.999 > 33 36 O 0.91210697056691 0.87356267315141 0.03887967402748 15.999 > 33 37 O 0.08789302943309 0.12356267315141 0.46112032597252 15.999 > 37 38 O 0.58789302943309 0.12356267315141 0.46112032597252 15.999 > 37 39 O 0.08789302943309 0.62356267315141 0.46112032597252 15.999 > 37 40 O 0.58789302943309 0.62356267315141 0.46112032597252 15.999 > 37 41 O 0.08789302943309 0.12643732684859 0.96112032597252 15.999 > 41 42 O 0.58789302943309 0.12643732684859 0.96112032597252 15.999 > 41 43 O 0.08789302943309 0.62643732684859 0.96112032597252 15.999 > 41 44 O 0.58789302943309 0.62643732684859 0.96112032597252 15.999 > 41 45 O 0.41210697056691 0.37643732684859 0.53887967402748 15.999 > 45 46 O 0.91210697056691 0.37643732684859 0.53887967402748 15.999 > 45 47 O 0.41210697056691 0.87643732684859 0.53887967402748 15.999 > 45 48 O 0.91210697056691 0.87643732684859 0.53887967402748 15.999 > 45 49 Nb 0.00000000000000 0.25000000000000 0.00000000000000 92.906 > 49 50 Nb 0.50000000000000 0.25000000000000 0.00000000000000 92.906 > 49 51 Nb 0.00000000000000 0.75000000000000 0.00000000000000 92.906 > 49 52 Nb 0.50000000000000 0.75000000000000 0.00000000000000 92.906 > 49 53 Nb 0.00000000000000 0.00000000000000 0.50000000000000 92.906 > 53 54 Nb 0.50000000000000 0.00000000000000 0.50000000000000 92.906 > 53 55 Nb 0.00000000000000 0.50000000000000 0.50000000000000 92.906 > 53 56 Nb 0.50000000000000 0.50000000000000 0.50000000000000 92.906 > 53 57 Ba 0.12082135831162 0.24397182002010 0.74839871366286 137.327 > 57 58 Ba 0.62082135831162 0.24397182002010 0.74839871366286 137.327 > 57 59 Ba 0.12082135831162 0.74397182002010 0.74839871366286 137.327 > 57 60 Ba 0.62082135831162 0.74397182002010 0.74839871366286 137.327 > 57 61 Ba 0.12082135831162 0.00602817997990 0.24839871366286 137.327 > 61 62 Ba 0.62082135831162 0.00602817997990 0.24839871366286 137.327 > 61 63 Ba 0.12082135831162 0.50602817997990 0.24839871366286 137.327 > 61 64 Ba 0.62082135831162 0.50602817997990 0.24839871366286 137.327 > 61 65 Ba 0.37917864168838 0.49397182002010 0.75160128633714 137.327 > 65 66 Ba 0.87917864168838 0.49397182002010 0.75160128633714 137.327 > 65 67 Ba 0.37917864168838 0.99397182002010 0.75160128633714 137.327 > 65 68 Ba 0.87917864168838 0.99397182002010 0.75160128633714 137.327 > 65 69 Ba 0.37917864168838 0.25602817997990 0.25160128633714 137.327 > 69 70 Ba 0.87917864168838 0.25602817997990 0.25160128633714 137.327 > 69 71 Ba 0.37917864168838 0.75602817997990 0.25160128633714 137.327 > 69 72 Ba 0.87917864168838 0.75602817997990 0.25160128633714 137.327 > 69 73 Pr 0.25000000000000 0.25000000000000 0.50000000000000 140.908 > 73 74 Pr 0.75000000000000 0.25000000000000 0.50000000000000 140.908 > 73 75 Pr 0.25000000000000 0.75000000000000 0.50000000000000 140.908 > 73 76 Pr 0.75000000000000 0.75000000000000 0.50000000000000 140.908 > 73 77 Pr 0.25000000000000 0.00000000000000 0.00000000000000 140.908 > 77 78 Pr 0.75000000000000 0.00000000000000 0.00000000000000 140.908 > 77 79 Pr 0.25000000000000 0.50000000000000 0.00000000000000 140.908 > 77 80 Pr 0.75000000000000 0.50000000000000 0.00000000000000 140.908 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0792888 0.0000000 0.0097623 0.0000000 5.0335239 0.0000000 0.0097617 0.0000000 5.0093691 -------------------------- Born effective charges -------------------------- 1 O -2.1137524 0.0212327 -0.3907281 0.0322753 -1.8183027 -0.0463683 -0.3039984 -0.0307695 -4.8751827 2 O -2.1137524 -0.0212327 -0.3907281 -0.0322753 -1.8183027 0.0463683 -0.3039984 0.0307695 -4.8751827 3 O -2.1137524 0.0212327 -0.3907281 0.0322753 -1.8183027 -0.0463683 -0.3039984 -0.0307695 -4.8751827 4 O -2.1137524 -0.0212327 -0.3907281 -0.0322753 -1.8183027 0.0463683 -0.3039984 0.0307695 -4.8751827 5 O -3.5112009 1.4764940 0.1291865 1.4648795 -3.3722748 -0.1074589 0.2098528 -0.1435813 -1.9280831 6 O -3.5112009 -1.4764940 0.1291865 -1.4648795 -3.3722748 0.1074589 0.2098528 0.1435813 -1.9280831 7 O -3.5112009 1.4764940 0.1291865 1.4648795 -3.3722748 -0.1074589 0.2098528 -0.1435813 -1.9280831 8 O -3.5112009 -1.4764940 0.1291865 -1.4648795 -3.3722748 0.1074589 0.2098528 0.1435813 -1.9280831 9 O -3.3413133 1.4265127 0.1229812 1.4981828 -3.5348434 -0.1811215 0.1992965 -0.2446876 -1.9397849 10 O -3.3413133 -1.4265127 0.1229812 -1.4981828 -3.5348434 0.1811215 0.1992965 0.2446876 -1.9397849 11 O -3.3413133 1.4265127 0.1229812 1.4981828 -3.5348434 -0.1811215 0.1992965 -0.2446876 -1.9397849 12 O -3.3413133 -1.4265127 0.1229812 -1.4981828 -3.5348434 0.1811215 0.1992965 0.2446876 -1.9397849 13 Nb 7.1394258 -0.0698266 -0.1987223 -0.0179875 7.1401360 -0.0658274 0.0207613 -0.0324909 7.2395088 14 Nb 7.1394258 0.0698266 -0.1987223 0.0179875 7.1401360 0.0658274 0.0207613 0.0324909 7.2395088 15 Ba 2.8031401 -0.0792571 -0.0364326 -0.0775853 2.6776110 0.0100469 0.0419117 0.0261720 2.5872325 16 Ba 2.8031401 0.0792571 -0.0364326 0.0775853 2.6776110 -0.0100469 0.0419117 -0.0261720 2.5872325 17 Ba 2.8031401 0.0792571 -0.0364326 0.0775853 2.6776110 -0.0100469 0.0419117 -0.0261720 2.5872325 18 Ba 2.8031401 -0.0792571 -0.0364326 -0.0775853 2.6776110 0.0100469 0.0419117 0.0261720 2.5872325 19 Pr 5.1868271 -0.1500200 0.5487084 0.0769753 4.9554839 0.0356616 -0.3148864 0.0604070 5.0721277 20 Pr 5.1868271 0.1500200 0.5487084 -0.0769753 4.9554839 -0.0356616 -0.3148864 -0.0604070 5.0721277 ---------------------------------------------------------------------------- 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000005 (zzz) -0.00000005 (zzz) -0.00000005 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000005 (xz) -0.00000005 (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 2026-01-07 23:41:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:41:30]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.127581070002075 0.000000000000000 0.000000000000000 b 0.000000000000000 6.072375820000002 0.000000000000000 c -6.041582587500520 0.000000000000000 8.574360089268245 Atomic positions (fractional): 1 O 0.29950559614223 0.00769839307873 0.72940897345232 15.999 2 O 0.70049440385777 0.50769839307873 0.77059102654768 15.999 3 O 0.70049440385777 0.99230160692127 0.27059102654768 15.999 4 O 0.29950559614223 0.49230160692127 0.22940897345232 15.999 5 O 0.79600255109917 0.21920767103601 0.53802589236355 15.999 6 O 0.20399744890083 0.71920767103601 0.96197410763645 15.999 7 O 0.20399744890083 0.78079232896399 0.46197410763645 15.999 8 O 0.79600255109917 0.28079232896399 0.03802589236355 15.999 9 O 0.82421394113381 0.74712534630282 0.03887967402748 15.999 10 O 0.17578605886619 0.24712534630281 0.46112032597252 15.999 11 O 0.17578605886619 0.25287465369718 0.96112032597252 15.999 12 O 0.82421394113381 0.75287465369718 0.53887967402748 15.999 13 Nb 0.00000000000000 0.50000000000000 0.00000000000000 92.906 14 Nb 0.00000000000000 0.00000000000000 0.50000000000000 92.906 15 Ba 0.24164271662323 0.48794364004019 0.74839871366286 137.327 16 Ba 0.24164271662323 0.01205635995981 0.24839871366286 137.327 17 Ba 0.75835728337677 0.98794364004019 0.75160128633714 137.327 18 Ba 0.75835728337677 0.51205635995981 0.25160128633714 137.327 19 Pr 0.50000000000000 0.50000000000000 0.50000000000000 140.908 20 Pr 0.50000000000000 0.00000000000000 0.00000000000000 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.255162140004151 0.000000000000000 0.000000000000000 b 0.000000000000000 12.144751640000004 0.000000000000000 c -6.041582587500520 0.000000000000000 8.574360089268245 Atomic positions (fractional): 1 O 0.14975279807111 0.00384919653937 0.72940897345232 15.999 > 1 2 O 0.64975279807111 0.00384919653937 0.72940897345232 15.999 > 1 3 O 0.14975279807111 0.50384919653937 0.72940897345232 15.999 > 1 4 O 0.64975279807111 0.50384919653937 0.72940897345232 15.999 > 1 5 O 0.35024720192889 0.25384919653937 0.77059102654768 15.999 > 5 6 O 0.85024720192889 0.25384919653937 0.77059102654768 15.999 > 5 7 O 0.35024720192889 0.75384919653937 0.77059102654768 15.999 > 5 8 O 0.85024720192889 0.75384919653937 0.77059102654768 15.999 > 5 9 O 0.35024720192889 0.49615080346063 0.27059102654768 15.999 > 9 10 O 0.85024720192889 0.49615080346063 0.27059102654768 15.999 > 9 11 O 0.35024720192889 0.99615080346063 0.27059102654768 15.999 > 9 12 O 0.85024720192889 0.99615080346063 0.27059102654768 15.999 > 9 13 O 0.14975279807111 0.24615080346063 0.22940897345232 15.999 > 13 14 O 0.64975279807111 0.24615080346063 0.22940897345232 15.999 > 13 15 O 0.14975279807111 0.74615080346063 0.22940897345232 15.999 > 13 16 O 0.64975279807111 0.74615080346063 0.22940897345232 15.999 > 13 17 O 0.39800127554958 0.10960383551801 0.53802589236355 15.999 > 17 18 O 0.89800127554958 0.10960383551801 0.53802589236355 15.999 > 17 19 O 0.39800127554958 0.60960383551801 0.53802589236355 15.999 > 17 20 O 0.89800127554958 0.60960383551801 0.53802589236355 15.999 > 17 21 O 0.10199872445042 0.35960383551801 0.96197410763645 15.999 > 21 22 O 0.60199872445042 0.35960383551801 0.96197410763645 15.999 > 21 23 O 0.10199872445042 0.85960383551801 0.96197410763645 15.999 > 21 24 O 0.60199872445042 0.85960383551801 0.96197410763645 15.999 > 21 25 O 0.10199872445042 0.39039616448199 0.46197410763645 15.999 > 25 26 O 0.60199872445042 0.39039616448199 0.46197410763645 15.999 > 25 27 O 0.10199872445042 0.89039616448199 0.46197410763645 15.999 > 25 28 O 0.60199872445042 0.89039616448199 0.46197410763645 15.999 > 25 29 O 0.39800127554958 0.14039616448199 0.03802589236355 15.999 > 29 30 O 0.89800127554958 0.14039616448199 0.03802589236355 15.999 > 29 31 O 0.39800127554958 0.64039616448199 0.03802589236355 15.999 > 29 32 O 0.89800127554958 0.64039616448199 0.03802589236355 15.999 > 29 33 O 0.41210697056691 0.37356267315141 0.03887967402748 15.999 > 33 34 O 0.91210697056691 0.37356267315141 0.03887967402748 15.999 > 33 35 O 0.41210697056691 0.87356267315141 0.03887967402748 15.999 > 33 36 O 0.91210697056691 0.87356267315141 0.03887967402748 15.999 > 33 37 O 0.08789302943309 0.12356267315141 0.46112032597252 15.999 > 37 38 O 0.58789302943309 0.12356267315141 0.46112032597252 15.999 > 37 39 O 0.08789302943309 0.62356267315141 0.46112032597252 15.999 > 37 40 O 0.58789302943309 0.62356267315141 0.46112032597252 15.999 > 37 41 O 0.08789302943309 0.12643732684859 0.96112032597252 15.999 > 41 42 O 0.58789302943309 0.12643732684859 0.96112032597252 15.999 > 41 43 O 0.08789302943309 0.62643732684859 0.96112032597252 15.999 > 41 44 O 0.58789302943309 0.62643732684859 0.96112032597252 15.999 > 41 45 O 0.41210697056691 0.37643732684859 0.53887967402748 15.999 > 45 46 O 0.91210697056691 0.37643732684859 0.53887967402748 15.999 > 45 47 O 0.41210697056691 0.87643732684859 0.53887967402748 15.999 > 45 48 O 0.91210697056691 0.87643732684859 0.53887967402748 15.999 > 45 49 Nb 0.00000000000000 0.25000000000000 0.00000000000000 92.906 > 49 50 Nb 0.50000000000000 0.25000000000000 0.00000000000000 92.906 > 49 51 Nb 0.00000000000000 0.75000000000000 0.00000000000000 92.906 > 49 52 Nb 0.50000000000000 0.75000000000000 0.00000000000000 92.906 > 49 53 Nb 0.00000000000000 0.00000000000000 0.50000000000000 92.906 > 53 54 Nb 0.50000000000000 0.00000000000000 0.50000000000000 92.906 > 53 55 Nb 0.00000000000000 0.50000000000000 0.50000000000000 92.906 > 53 56 Nb 0.50000000000000 0.50000000000000 0.50000000000000 92.906 > 53 57 Ba 0.12082135831162 0.24397182002010 0.74839871366286 137.327 > 57 58 Ba 0.62082135831162 0.24397182002010 0.74839871366286 137.327 > 57 59 Ba 0.12082135831162 0.74397182002010 0.74839871366286 137.327 > 57 60 Ba 0.62082135831162 0.74397182002010 0.74839871366286 137.327 > 57 61 Ba 0.12082135831162 0.00602817997990 0.24839871366286 137.327 > 61 62 Ba 0.62082135831162 0.00602817997990 0.24839871366286 137.327 > 61 63 Ba 0.12082135831162 0.50602817997990 0.24839871366286 137.327 > 61 64 Ba 0.62082135831162 0.50602817997990 0.24839871366286 137.327 > 61 65 Ba 0.37917864168838 0.49397182002010 0.75160128633714 137.327 > 65 66 Ba 0.87917864168838 0.49397182002010 0.75160128633714 137.327 > 65 67 Ba 0.37917864168838 0.99397182002010 0.75160128633714 137.327 > 65 68 Ba 0.87917864168838 0.99397182002010 0.75160128633714 137.327 > 65 69 Ba 0.37917864168838 0.25602817997990 0.25160128633714 137.327 > 69 70 Ba 0.87917864168838 0.25602817997990 0.25160128633714 137.327 > 69 71 Ba 0.37917864168838 0.75602817997990 0.25160128633714 137.327 > 69 72 Ba 0.87917864168838 0.75602817997990 0.25160128633714 137.327 > 69 73 Pr 0.25000000000000 0.25000000000000 0.50000000000000 140.908 > 73 74 Pr 0.75000000000000 0.25000000000000 0.50000000000000 140.908 > 73 75 Pr 0.25000000000000 0.75000000000000 0.50000000000000 140.908 > 73 76 Pr 0.75000000000000 0.75000000000000 0.50000000000000 140.908 > 73 77 Pr 0.25000000000000 0.00000000000000 0.00000000000000 140.908 > 77 78 Pr 0.75000000000000 0.00000000000000 0.00000000000000 140.908 > 77 79 Pr 0.25000000000000 0.50000000000000 0.00000000000000 140.908 > 77 80 Pr 0.75000000000000 0.50000000000000 0.00000000000000 140.908 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.0792888 0.0000000 0.0097623 0.0000000 5.0335239 0.0000000 0.0097617 0.0000000 5.0093691 -------------------------- Born effective charges -------------------------- 1 O -2.1137524 0.0212327 -0.3907281 0.0322753 -1.8183027 -0.0463683 -0.3039984 -0.0307695 -4.8751827 2 O -2.1137524 -0.0212327 -0.3907281 -0.0322753 -1.8183027 0.0463683 -0.3039984 0.0307695 -4.8751827 3 O -2.1137524 0.0212327 -0.3907281 0.0322753 -1.8183027 -0.0463683 -0.3039984 -0.0307695 -4.8751827 4 O -2.1137524 -0.0212327 -0.3907281 -0.0322753 -1.8183027 0.0463683 -0.3039984 0.0307695 -4.8751827 5 O -3.5112009 1.4764940 0.1291865 1.4648795 -3.3722748 -0.1074589 0.2098528 -0.1435813 -1.9280831 6 O -3.5112009 -1.4764940 0.1291865 -1.4648795 -3.3722748 0.1074589 0.2098528 0.1435813 -1.9280831 7 O -3.5112009 1.4764940 0.1291865 1.4648795 -3.3722748 -0.1074589 0.2098528 -0.1435813 -1.9280831 8 O -3.5112009 -1.4764940 0.1291865 -1.4648795 -3.3722748 0.1074589 0.2098528 0.1435813 -1.9280831 9 O -3.3413133 1.4265127 0.1229812 1.4981828 -3.5348434 -0.1811215 0.1992965 -0.2446876 -1.9397849 10 O -3.3413133 -1.4265127 0.1229812 -1.4981828 -3.5348434 0.1811215 0.1992965 0.2446876 -1.9397849 11 O -3.3413133 1.4265127 0.1229812 1.4981828 -3.5348434 -0.1811215 0.1992965 -0.2446876 -1.9397849 12 O -3.3413133 -1.4265127 0.1229812 -1.4981828 -3.5348434 0.1811215 0.1992965 0.2446876 -1.9397849 13 Nb 7.1394258 -0.0698266 -0.1987223 -0.0179875 7.1401360 -0.0658274 0.0207613 -0.0324909 7.2395088 14 Nb 7.1394258 0.0698266 -0.1987223 0.0179875 7.1401360 0.0658274 0.0207613 0.0324909 7.2395088 15 Ba 2.8031401 -0.0792571 -0.0364326 -0.0775853 2.6776110 0.0100469 0.0419117 0.0261720 2.5872325 16 Ba 2.8031401 0.0792571 -0.0364326 0.0775853 2.6776110 -0.0100469 0.0419117 -0.0261720 2.5872325 17 Ba 2.8031401 0.0792571 -0.0364326 0.0775853 2.6776110 -0.0100469 0.0419117 -0.0261720 2.5872325 18 Ba 2.8031401 -0.0792571 -0.0364326 -0.0775853 2.6776110 0.0100469 0.0419117 0.0261720 2.5872325 19 Pr 5.1868271 -0.1500200 0.5487084 0.0769753 4.9554839 0.0356616 -0.3148864 0.0604070 5.0721277 20 Pr 5.1868271 0.1500200 0.5487084 -0.0769753 4.9554839 -0.0356616 -0.3148864 -0.0604070 5.0721277 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000005 (zzz) -0.00000005 (zzz) -0.00000005 (zzz) 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 ... [ 10 8 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: 0.61, Number of G-points: 319, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/160) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 160 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 0.970 ( 0.000 0.000 0.000) 0.000 1.615 ( 0.000 0.000 0.000) 0.000 1.852 ( 0.000 0.000 0.000) 0.000 2.185 ( 0.000 0.000 0.000) 0.000 2.313 ( 0.000 0.000 0.000) 0.000 2.446 ( 0.000 0.000 0.000) 0.000 2.658 ( 0.000 0.000 0.000) 0.000 2.727 ( 0.000 0.000 0.000) 0.000 2.927 ( 0.000 0.000 0.000) 0.000 2.964 ( 0.000 0.000 0.000) 0.000 3.037 ( 0.000 0.000 0.000) 0.000 3.105 ( 0.000 0.000 0.000) 0.000 3.123 ( 0.000 0.000 0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.267 ( 0.000 0.000 0.000) 0.000 3.420 ( 0.000 0.000 0.000) 0.000 3.751 ( 0.000 0.000 0.000) 0.000 3.781 ( 0.000 0.000 0.000) 0.000 4.211 ( 0.000 0.000 0.000) 0.000 4.285 ( 0.000 0.000 0.000) 0.000 4.445 ( 0.000 0.000 0.000) 0.000 4.580 ( 0.000 0.000 0.000) 0.000 4.784 ( 0.000 0.000 0.000) 0.000 5.010 ( 0.000 0.000 0.000) 0.000 5.176 ( 0.000 0.000 0.000) 0.000 5.394 ( 0.000 0.000 0.000) 0.000 5.632 ( 0.000 0.000 0.000) 0.000 5.785 ( 0.000 0.000 0.000) 0.000 6.208 ( 0.000 0.000 0.000) 0.000 6.687 ( 0.000 0.000 0.000) 0.000 6.807 ( 0.000 0.000 0.000) 0.000 6.874 ( 0.000 0.000 0.000) 0.000 7.433 ( 0.000 0.000 0.000) 0.000 8.361 ( 0.000 0.000 0.000) 0.000 8.592 ( 0.000 0.000 0.000) 0.000 8.752 ( 0.000 0.000 0.000) 0.000 9.197 ( 0.000 0.000 0.000) 0.000 9.313 ( 0.000 0.000 0.000) 0.000 9.784 ( 0.000 0.000 0.000) 0.000 10.198 ( 0.000 0.000 0.000) 0.000 10.368 ( 0.000 0.000 0.000) 0.000 10.591 ( 0.000 0.000 0.000) 0.000 11.107 ( 0.000 0.000 0.000) 0.000 11.713 ( 0.000 0.000 0.000) 0.000 11.912 ( 0.000 0.000 0.000) 0.000 13.727 ( 0.000 0.000 0.000) 0.000 13.733 ( 0.000 0.000 0.000) 0.000 13.895 ( 0.000 0.000 0.000) 0.000 13.949 ( 0.000 0.000 0.000) 0.000 14.408 ( 0.000 0.000 0.000) 0.000 14.503 ( 0.000 0.000 0.000) 0.000 15.807 ( 0.000 0.000 0.000) 0.000 15.881 ( 0.000 0.000 0.000) 0.000 16.023 ( 0.000 0.000 0.000) 0.000 19.682 ( 0.000 0.000 0.000) 0.000 22.406 ( 0.000 0.000 0.000) 0.000 22.774 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/160) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 7.926 0.000 32.753) 33.698 0.565 ( 21.087 0.000 13.541) 25.060 0.962 ( 12.521 0.000 12.347) 17.584 1.196 ( 44.260 0.000 12.585) 46.015 1.701 ( 4.780 0.000 6.191) 7.822 1.904 ( 5.636 0.000 -1.683) 5.882 2.203 ( -1.012 0.000 1.293) 1.641 2.296 ( -3.689 0.000 -1.891) 4.145 2.355 ( 0.202 0.000 -5.441) 5.444 2.564 ( -10.155 0.000 -1.608) 10.281 2.784 ( 6.664 0.000 8.342) 10.677 2.926 ( 2.294 0.000 -6.716) 7.097 2.940 ( -3.540 0.000 -0.100) 3.541 3.076 ( 3.795 0.000 1.599) 4.118 3.091 ( -9.144 0.000 5.057) 10.449 3.213 ( -3.426 0.000 13.261) 13.697 3.308 ( -9.580 0.000 10.712) 14.371 3.337 ( 5.366 0.000 10.517) 11.807 3.613 ( 23.919 0.000 -1.634) 23.975 3.692 ( -5.079 0.000 -1.580) 5.319 3.760 ( -3.169 0.000 -6.007) 6.791 4.224 ( -7.826 0.000 -9.617) 12.399 4.282 ( 8.547 0.000 -0.743) 8.579 4.524 ( 1.024 0.000 14.343) 14.379 4.638 ( 2.908 0.000 4.138) 5.058 4.973 ( -2.330 0.000 0.215) 2.340 5.316 ( 0.804 0.000 0.277) 0.851 5.341 ( 15.199 0.000 4.811) 15.943 5.663 ( 6.878 0.000 -5.983) 9.116 5.911 ( 9.539 0.000 7.144) 11.917 6.056 ( -10.927 0.000 -4.038) 11.650 6.577 ( -7.623 0.000 -9.169) 11.924 6.703 ( 0.856 0.000 0.189) 0.877 6.992 ( 18.301 0.000 -13.944) 23.008 7.101 ( 7.599 0.000 9.855) 12.444 7.572 ( -3.864 0.000 0.531) 3.901 8.325 ( -4.031 0.000 -0.116) 4.033 8.656 ( -6.511 0.000 6.146) 8.954 9.048 ( -3.292 0.000 -10.942) 11.426 9.447 ( 1.188 0.000 12.837) 12.892 9.709 ( -3.876 0.000 -10.239) 10.948 10.129 ( -11.210 0.000 6.611) 13.014 10.308 ( -3.886 0.000 -2.622) 4.688 10.564 ( -4.328 0.000 1.113) 4.469 11.065 ( 20.833 0.000 -15.313) 25.855 11.173 ( 8.134 0.000 -0.079) 8.134 11.734 ( 3.967 0.000 -3.091) 5.029 11.903 ( 2.143 0.000 -4.301) 4.805 13.808 ( 7.077 0.000 2.168) 7.402 13.878 ( 9.590 0.000 10.454) 14.187 14.005 ( 7.353 0.000 -0.836) 7.400 14.205 ( -6.833 0.000 21.021) 22.104 14.522 ( 3.901 0.000 -1.818) 4.303 15.776 ( -0.340 0.000 -4.962) 4.974 15.849 ( -4.219 0.000 0.338) 4.232 15.991 ( -3.472 0.000 -0.722) 3.547 19.787 ( 11.211 0.000 1.647) 11.331 19.919 ( 14.431 0.000 -10.384) 17.779 22.396 ( -0.769 0.000 -0.868) 1.159 22.738 ( -1.538 0.000 -4.214) 4.486 ======================= Grid point 2 (3/160) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 13.533 0.000 12.435) 18.379 0.984 ( 15.433 0.000 8.320) 17.533 1.215 ( 5.393 0.000 18.546) 19.314 1.864 ( 5.689 0.000 8.420) 10.161 1.888 ( 0.595 0.000 -10.614) 10.631 2.099 ( 33.145 0.000 9.855) 34.579 2.162 ( -1.445 0.000 -2.118) 2.564 2.222 ( -1.490 0.000 6.880) 7.040 2.362 ( -12.039 0.000 2.108) 12.222 2.456 ( 3.151 0.000 -0.039) 3.151 2.782 ( -15.631 0.000 -3.422) 16.001 2.869 ( -2.638 0.000 -4.032) 4.819 2.878 ( -8.653 0.000 4.384) 9.700 3.110 ( 7.776 0.000 7.077) 10.514 3.150 ( 11.630 0.000 -11.910) 16.646 3.271 ( 0.777 0.000 6.319) 6.367 3.317 ( 4.335 0.000 9.588) 10.522 3.570 ( -8.805 0.000 -7.316) 11.448 3.704 ( 6.242 0.000 31.142) 31.761 3.720 ( 2.552 0.000 9.828) 10.154 3.996 ( -2.702 0.000 -6.862) 7.375 4.039 ( 29.983 0.000 -3.866) 30.231 4.441 ( 12.433 0.000 -2.470) 12.676 4.733 ( 2.454 0.000 4.067) 4.750 4.764 ( 8.883 0.000 9.650) 13.116 4.966 ( -0.805 0.000 2.770) 2.885 5.239 ( -7.033 0.000 -4.770) 8.498 5.616 ( 6.330 0.000 -4.722) 7.897 5.773 ( 16.966 0.000 3.127) 17.251 5.857 ( -9.358 0.000 -0.879) 9.399 6.073 ( -5.310 0.000 2.441) 5.845 6.520 ( 10.784 0.000 3.236) 11.259 6.715 ( 4.340 0.000 -5.153) 6.737 7.044 ( 5.210 0.000 -13.359) 14.339 7.321 ( 8.364 0.000 6.632) 10.674 7.556 ( 3.467 0.000 -0.763) 3.550 8.245 ( -5.346 0.000 0.787) 5.403 8.618 ( -3.489 0.000 2.241) 4.146 8.865 ( -5.306 0.000 -8.516) 10.034 9.387 ( -11.473 0.000 -20.474) 23.470 9.596 ( 0.448 0.000 10.207) 10.217 10.062 ( -10.117 0.000 10.774) 14.779 10.213 ( -4.009 0.000 -1.307) 4.216 10.471 ( -7.677 0.000 0.064) 7.677 11.269 ( 12.861 0.000 1.226) 12.919 11.361 ( 14.278 0.000 0.089) 14.279 11.739 ( 2.468 0.000 -5.643) 6.159 11.894 ( 4.852 0.000 -7.183) 8.669 14.012 ( 14.178 0.000 2.678) 14.428 14.164 ( 13.967 0.000 -1.694) 14.069 14.241 ( 13.753 0.000 16.556) 21.523 14.387 ( 5.770 0.000 11.371) 12.751 14.604 ( 8.972 0.000 -1.719) 9.135 15.683 ( -1.289 0.000 -8.770) 8.864 15.749 ( -8.861 0.000 0.747) 8.892 15.890 ( -7.394 0.000 -1.446) 7.534 20.059 ( 18.131 0.000 2.457) 18.296 20.087 ( 16.053 0.000 -4.209) 16.596 22.356 ( -2.258 0.000 -1.863) 2.927 22.627 ( -3.686 0.000 -7.440) 8.303 ======================= Grid point 3 (4/160) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 12.437 0.000 2.209) 12.631 1.289 ( 12.151 0.000 6.487) 13.774 1.524 ( 1.227 0.000 19.424) 19.463 1.809 ( 2.947 0.000 -6.058) 6.737 2.024 ( 2.349 0.000 7.319) 7.686 2.089 ( -3.102 0.000 -5.480) 6.297 2.170 ( -10.673 0.000 0.736) 10.698 2.306 ( -5.225 0.000 -10.104) 11.374 2.336 ( 1.293 0.000 9.623) 9.710 2.415 ( -10.920 0.000 -7.968) 13.517 2.439 ( -6.797 0.000 1.189) 6.900 2.747 ( -6.376 0.000 -4.909) 8.047 2.804 ( -3.017 0.000 3.282) 4.458 3.006 ( -6.501 0.000 -20.492) 21.498 3.302 ( 4.892 0.000 5.063) 7.041 3.485 ( 10.495 0.000 -5.051) 11.647 3.603 ( 13.527 0.000 11.412) 17.698 3.667 ( 9.644 0.000 25.306) 27.082 3.985 ( 22.844 0.000 8.923) 24.525 4.068 ( 7.046 0.000 11.020) 13.081 4.164 ( 3.290 0.000 31.009) 31.183 4.461 ( 29.057 0.000 -7.668) 30.051 4.617 ( 11.500 0.000 -0.910) 11.536 4.807 ( 2.799 0.000 1.731) 3.291 4.920 ( -5.153 0.000 0.861) 5.225 4.996 ( 1.817 0.000 0.546) 1.897 5.059 ( -0.401 0.000 -5.365) 5.380 5.537 ( 0.376 0.000 -13.597) 13.602 5.726 ( -6.868 0.000 1.489) 7.027 5.902 ( -10.465 0.000 -1.531) 10.577 6.085 ( 5.659 0.000 10.084) 11.564 6.730 ( 3.829 0.000 -4.977) 6.279 6.795 ( 7.443 0.000 9.086) 11.746 6.850 ( -6.551 0.000 -16.574) 17.821 7.553 ( 11.988 0.000 3.605) 12.519 7.657 ( 7.739 0.000 0.735) 7.774 8.206 ( -1.234 0.000 3.931) 4.120 8.607 ( 0.254 0.000 0.451) 0.518 8.687 ( -6.140 0.000 -5.233) 8.067 8.992 ( -5.018 0.000 -19.467) 20.104 9.687 ( -1.046 0.000 6.153) 6.241 9.951 ( -8.807 0.000 -3.574) 9.504 10.197 ( -5.219 0.000 10.165) 11.426 10.328 ( -8.326 0.000 -1.398) 8.443 11.483 ( 8.499 0.000 4.782) 9.752 11.606 ( 13.620 0.000 1.128) 13.667 11.702 ( 2.037 0.000 -6.223) 6.548 11.883 ( 3.869 0.000 -7.484) 8.425 14.319 ( 18.918 0.000 3.101) 19.170 14.410 ( 18.680 0.000 -2.221) 18.811 14.637 ( 10.146 0.000 8.740) 13.391 14.646 ( 13.172 0.000 12.923) 18.453 14.778 ( 11.061 0.000 3.119) 11.492 15.534 ( -3.410 0.000 -10.419) 10.963 15.577 ( -13.646 0.000 1.301) 13.708 15.714 ( -11.464 0.000 -2.355) 11.703 20.331 ( 16.676 0.000 -0.821) 16.696 20.396 ( 18.708 0.000 2.096) 18.825 22.279 ( -3.994 0.000 -2.486) 4.704 22.453 ( -5.922 0.000 -8.604) 10.445 ======================= Grid point 4 (5/160) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 0.659 0.000 2.056) 2.159 1.539 ( 9.765 0.000 6.052) 11.488 1.556 ( -7.823 0.000 1.472) 7.960 1.811 ( 2.062 0.000 -2.363) 3.136 1.954 ( -5.297 0.000 -4.921) 7.230 2.029 ( -7.197 0.000 -0.975) 7.262 2.088 ( -1.055 0.000 5.382) 5.485 2.185 ( 3.120 0.000 -1.032) 3.287 2.240 ( -2.551 0.000 -7.016) 7.465 2.330 ( -4.624 0.000 0.031) 4.624 2.455 ( 0.736 0.000 6.831) 6.871 2.551 ( -5.779 0.000 -8.583) 10.347 2.710 ( -6.858 0.000 -8.985) 11.303 2.848 ( 1.500 0.000 4.328) 4.581 3.381 ( 1.158 0.000 0.748) 1.378 3.582 ( 8.249 0.000 -5.040) 9.667 3.929 ( 10.390 0.000 8.344) 13.326 3.956 ( 3.173 0.000 10.793) 11.249 4.371 ( 6.209 0.000 21.529) 22.407 4.411 ( -2.324 0.000 8.997) 9.292 4.622 ( 17.338 0.000 6.961) 18.683 4.730 ( 7.739 0.000 -2.698) 8.196 4.747 ( 2.215 0.000 3.016) 3.742 4.837 ( 14.097 0.000 3.198) 14.455 4.923 ( 10.762 0.000 2.762) 11.111 5.001 ( 0.985 0.000 -8.852) 8.906 5.060 ( 3.955 0.000 -0.551) 3.993 5.369 ( -2.050 0.000 -11.531) 11.711 5.689 ( -1.918 0.000 5.701) 6.015 5.752 ( -6.968 0.000 1.018) 7.042 6.158 ( -6.377 0.000 6.110) 8.832 6.424 ( -16.915 0.000 -19.149) 25.550 6.764 ( 2.884 0.000 -2.674) 3.933 6.934 ( 1.315 0.000 4.064) 4.271 7.684 ( 1.963 0.000 -2.179) 2.933 7.788 ( 5.988 0.000 0.925) 6.059 8.340 ( 7.320 0.000 8.621) 11.310 8.538 ( -4.150 0.000 -3.175) 5.225 8.654 ( 2.286 0.000 1.036) 2.510 8.844 ( 5.893 0.000 -9.059) 10.807 9.704 ( -2.373 0.000 2.239) 3.263 9.738 ( -8.124 0.000 -7.176) 10.839 10.196 ( -5.111 0.000 -1.296) 5.273 10.220 ( -4.893 0.000 7.500) 8.955 11.639 ( 4.561 0.000 3.264) 5.609 11.679 ( 2.220 0.000 -3.614) 4.241 11.800 ( 7.775 0.000 1.153) 7.860 11.851 ( 1.358 0.000 -4.989) 5.171 14.681 ( 20.074 0.000 3.420) 20.363 14.710 ( 20.647 0.000 -2.246) 20.769 14.904 ( 10.493 0.000 7.964) 13.173 14.932 ( 14.401 0.000 -1.974) 14.536 14.990 ( 1.443 0.000 12.258) 12.342 15.332 ( -7.809 0.000 -8.973) 11.895 15.338 ( -17.706 0.000 2.036) 17.823 15.469 ( -13.523 0.000 -4.065) 14.120 20.578 ( 12.028 0.000 1.014) 12.071 20.677 ( 12.385 0.000 1.001) 12.425 22.184 ( -3.817 0.000 -1.834) 4.234 22.262 ( -5.717 0.000 -6.382) 8.568 ======================= Grid point 5 (6/160) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 0.000 0.000 0.000) 0.000 1.549 ( 0.000 0.000 0.000) 0.000 1.742 ( -0.000 0.000 -0.000) 0.000 1.746 ( 0.000 0.000 0.000) 0.000 1.879 ( -0.000 0.000 0.000) 0.000 1.933 ( 0.000 0.000 0.000) 0.000 2.101 ( 0.000 0.000 -0.000) 0.000 2.193 ( 0.000 0.000 0.000) 0.000 2.219 ( -0.000 0.000 0.000) 0.000 2.303 ( -0.000 0.000 0.000) 0.000 2.466 ( -0.000 0.000 0.000) 0.000 2.502 ( 0.000 0.000 -0.000) 0.000 2.580 ( 0.000 0.000 0.000) 0.000 2.896 ( 0.000 0.000 0.000) 0.000 3.387 ( 0.000 0.000 0.000) 0.000 3.624 ( 0.000 0.000 0.000) 0.000 4.043 ( -0.000 0.000 0.000) 0.000 4.077 ( 0.000 0.000 0.000) 0.000 4.406 ( 0.000 0.000 0.000) 0.000 4.579 ( 0.000 0.000 0.000) 0.000 4.691 ( 0.000 0.000 -0.000) 0.000 4.753 ( 0.000 0.000 0.000) 0.000 4.771 ( 0.000 0.000 0.000) 0.000 4.971 ( -0.000 0.000 0.000) 0.000 5.034 ( 0.000 0.000 0.000) 0.000 5.118 ( -0.000 0.000 -0.000) 0.000 5.199 ( 0.000 0.000 0.000) 0.000 5.240 ( 0.000 0.000 0.000) 0.000 5.699 ( 0.000 0.000 0.000) 0.000 5.839 ( -0.000 0.000 -0.000) 0.000 5.972 ( 0.000 0.000 0.000) 0.000 6.119 ( -0.000 0.000 0.000) 0.000 6.773 ( 0.000 0.000 0.000) 0.000 6.963 ( 0.000 0.000 0.000) 0.000 7.665 ( 0.000 0.000 0.000) 0.000 7.846 ( 0.000 0.000 0.000) 0.000 8.482 ( 0.000 0.000 0.000) 0.000 8.484 ( 0.000 0.000 0.000) 0.000 8.687 ( 0.000 0.000 -0.000) 0.000 8.867 ( 0.000 0.000 0.000) 0.000 9.606 ( 0.000 0.000 0.000) 0.000 9.690 ( 0.000 0.000 0.000) 0.000 10.146 ( 0.000 0.000 0.000) 0.000 10.219 ( 0.000 0.000 0.000) 0.000 11.680 ( 0.000 0.000 0.000) 0.000 11.697 ( 0.000 0.000 0.000) 0.000 11.829 ( 0.000 0.000 0.000) 0.000 11.871 ( 0.000 0.000 0.000) 0.000 14.970 ( 0.000 0.000 0.000) 0.000 14.981 ( 0.000 0.000 0.000) 0.000 15.050 ( 0.000 0.000 0.000) 0.000 15.075 ( -0.000 0.000 0.000) 0.000 15.096 ( 0.000 0.000 -0.000) 0.000 15.108 ( 0.000 0.000 -0.000) 0.000 15.115 ( -0.000 0.000 0.000) 0.000 15.250 ( 0.000 0.000 0.000) 0.000 20.693 ( 0.000 0.000 0.000) 0.000 20.789 ( 0.000 0.000 0.000) 0.000 22.138 ( 0.000 0.000 0.000) 0.000 22.169 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/160) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 0.000 25.311 0.000) 25.311 0.623 ( 0.000 27.953 0.000) 27.953 1.029 ( 0.000 29.162 0.000) 29.162 1.277 ( 0.000 38.770 0.000) 38.770 1.723 ( 0.000 9.124 0.000) 9.124 1.931 ( 0.000 6.837 0.000) 6.837 2.221 ( 0.000 2.265 0.000) 2.265 2.428 ( 0.000 -2.388 0.000) 2.388 2.471 ( 0.000 10.336 0.000) 10.336 2.641 ( 0.000 -6.339 0.000) 6.339 2.878 ( 0.000 -8.503 0.000) 8.503 2.939 ( 0.000 2.344 0.000) 2.344 3.009 ( 0.000 -1.025 0.000) 1.025 3.109 ( 0.000 -1.051 0.000) 1.051 3.165 ( 0.000 -2.550 0.000) 2.550 3.252 ( 0.000 12.786 0.000) 12.786 3.329 ( 0.000 5.741 0.000) 5.741 3.416 ( 0.000 0.329 0.000) 0.329 3.712 ( 0.000 23.909 0.000) 23.909 3.825 ( 0.000 4.266 0.000) 4.266 3.870 ( 0.000 11.069 0.000) 11.069 4.349 ( 0.000 5.533 0.000) 5.533 4.503 ( 0.000 4.858 0.000) 4.858 4.587 ( 0.000 8.757 0.000) 8.757 4.875 ( 0.000 -7.039 0.000) 7.039 4.910 ( 0.000 10.769 0.000) 10.769 5.125 ( 0.000 5.657 0.000) 5.657 5.496 ( 0.000 2.436 0.000) 2.436 5.693 ( 0.000 25.398 0.000) 25.398 5.717 ( 0.000 4.966 0.000) 4.966 6.229 ( 0.000 2.365 0.000) 2.365 6.545 ( 0.000 -9.285 0.000) 9.285 6.724 ( 0.000 -2.454 0.000) 2.454 6.872 ( 0.000 1.986 0.000) 1.986 7.256 ( 0.000 -5.855 0.000) 5.855 7.430 ( 0.000 -0.325 0.000) 0.325 8.601 ( 0.000 0.274 0.000) 0.274 8.741 ( 0.000 -0.124 0.000) 0.124 9.155 ( 0.000 -3.277 0.000) 3.277 9.265 ( 0.000 -4.571 0.000) 4.571 9.721 ( 0.000 -5.697 0.000) 5.697 10.225 ( 0.000 2.318 0.000) 2.318 10.276 ( 0.000 9.751 0.000) 9.751 10.446 ( 0.000 7.636 0.000) 7.636 10.533 ( 0.000 -5.576 0.000) 5.576 11.074 ( 0.000 -3.095 0.000) 3.095 11.689 ( 0.000 -2.588 0.000) 2.588 11.888 ( 0.000 -2.498 0.000) 2.498 13.745 ( 0.000 0.745 0.000) 0.745 13.841 ( 0.000 2.488 0.000) 2.488 13.979 ( 0.000 15.705 0.000) 15.705 14.483 ( 0.000 7.258 0.000) 7.258 14.529 ( 0.000 3.357 0.000) 3.357 15.804 ( 0.000 -0.540 0.000) 0.540 15.848 ( 0.000 -3.386 0.000) 3.386 15.991 ( 0.000 -3.195 0.000) 3.195 19.754 ( 0.000 7.093 0.000) 7.093 19.863 ( 0.000 7.480 0.000) 7.480 22.367 ( 0.000 -3.686 0.000) 3.686 22.745 ( 0.000 -3.003 0.000) 3.003 ======================= Grid point 12 (8/160) ======================= q-point: ( 0.10 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -0.538 15.971 30.013) 34.002 0.825 ( 15.841 17.655 4.642) 24.170 1.261 ( 13.542 13.109 0.772) 18.863 1.503 ( 23.275 32.422 9.827) 41.103 1.750 ( 4.339 6.795 -0.073) 8.062 2.000 ( 5.181 7.544 2.191) 9.410 2.232 ( 0.078 1.573 -0.335) 1.610 2.303 ( -7.322 -2.651 -6.495) 10.140 2.511 ( 2.151 11.847 2.303) 12.259 2.571 ( -7.920 0.033 0.438) 7.933 2.851 ( -1.052 -6.750 -3.044) 7.479 2.863 ( -3.071 -1.409 -5.143) 6.154 2.992 ( -1.883 -2.041 2.332) 3.626 3.133 ( 1.579 6.918 -6.710) 9.767 3.139 ( -3.126 7.920 3.509) 9.209 3.262 ( -0.965 -0.630 10.892) 10.953 3.285 ( -2.540 5.680 14.409) 15.695 3.457 ( -3.198 7.208 9.179) 12.102 3.749 ( -0.974 8.342 -3.322) 9.032 3.835 ( 4.424 12.066 -6.534) 14.417 3.891 ( 9.172 17.613 -1.650) 19.926 4.244 ( -8.300 1.380 -10.212) 13.232 4.412 ( 1.521 10.591 -4.918) 11.775 4.593 ( -2.134 7.279 15.044) 16.848 4.792 ( 2.119 1.281 1.904) 3.124 5.037 ( 4.092 13.278 5.060) 14.787 5.362 ( 15.034 2.523 3.454) 15.631 5.542 ( 0.463 11.417 -0.962) 11.467 5.689 ( 4.974 4.954 -3.498) 7.843 5.844 ( 6.362 4.078 3.905) 8.506 6.130 ( -8.650 4.493 -0.760) 9.777 6.451 ( -3.040 -6.834 -5.193) 9.106 6.736 ( 4.036 -2.641 -3.357) 5.877 6.964 ( -5.209 -0.124 3.532) 6.295 7.117 ( 4.126 -1.841 2.412) 5.122 7.497 ( -0.290 -4.593 2.616) 5.294 8.450 ( -2.249 7.997 -12.453) 14.969 8.698 ( -3.876 2.736 5.723) 7.434 9.011 ( -3.654 -2.928 -10.226) 11.247 9.393 ( 1.448 -4.887 12.231) 13.251 9.671 ( -2.817 -3.727 -8.550) 9.743 10.145 ( -10.390 1.478 4.866) 11.568 10.361 ( -4.926 4.374 -4.739) 8.115 10.510 ( -4.526 -4.608 2.681) 6.993 10.778 ( 28.288 -10.199 5.380) 30.548 11.157 ( 8.790 -1.189 1.221) 8.953 11.708 ( 3.939 -2.632 -3.274) 5.759 11.886 ( 2.842 -1.806 -4.204) 5.387 13.880 ( 7.547 1.591 10.013) 12.640 13.947 ( 7.085 5.536 5.263) 10.419 14.028 ( 5.599 7.760 1.409) 9.672 14.353 ( -10.192 9.922 6.164) 15.502 14.564 ( 5.207 4.730 -1.442) 7.181 15.726 ( -6.106 -5.008 -2.194) 8.196 15.857 ( 0.003 0.139 -1.864) 1.870 15.947 ( -4.540 -4.233 -1.142) 6.312 19.848 ( 9.975 5.961 1.477) 11.714 19.975 ( 15.260 5.643 -8.085) 18.168 22.357 ( -0.590 -3.643 -1.068) 3.841 22.708 ( -1.555 -3.052 -4.288) 5.488 ======================= Grid point 13 (9/160) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 4.366 7.778 26.622) 28.077 1.120 ( 14.102 13.359 3.622) 19.760 1.452 ( 9.019 16.675 2.338) 19.101 1.726 ( 1.641 -6.085 -2.497) 6.779 1.996 ( -0.654 2.930 -4.848) 5.702 2.110 ( 21.022 3.398 3.697) 21.613 2.209 ( -0.011 2.185 -3.519) 4.142 2.259 ( 4.360 2.567 5.907) 7.778 2.377 ( -12.940 1.083 0.456) 12.994 2.590 ( -3.135 9.187 3.884) 10.455 2.753 ( -10.137 -2.989 -0.048) 10.568 2.815 ( -1.605 -3.714 -0.961) 4.159 2.934 ( -4.007 5.775 -1.345) 7.156 3.102 ( 0.555 1.178 -2.321) 2.661 3.215 ( 7.004 5.883 2.596) 9.508 3.361 ( 7.281 4.214 11.838) 14.522 3.476 ( -0.564 11.964 10.132) 15.688 3.618 ( -7.032 1.174 3.461) 7.925 3.697 ( 3.887 3.883 15.616) 16.554 3.785 ( 7.114 9.818 1.094) 12.174 3.996 ( 2.183 1.730 -6.490) 7.062 4.211 ( 15.717 15.627 1.562) 22.219 4.463 ( 8.214 3.352 -1.408) 8.983 4.806 ( 6.026 2.891 7.767) 10.247 4.846 ( 2.627 2.709 2.327) 4.434 5.132 ( -0.600 18.350 5.570) 19.186 5.445 ( -6.071 15.771 -6.189) 17.997 5.633 ( 5.792 0.878 1.557) 6.062 5.763 ( 13.983 0.638 -2.925) 14.300 5.857 ( -5.671 -0.396 -1.384) 5.851 6.040 ( -6.172 -1.220 0.365) 6.302 6.478 ( 10.090 -2.993 4.225) 11.341 6.731 ( 1.287 -2.539 -3.588) 4.580 6.867 ( -6.027 -10.064 -2.697) 12.037 7.312 ( 9.796 -1.604 5.688) 11.441 7.532 ( 3.438 -2.201 0.651) 4.134 8.330 ( 2.446 8.410 -9.185) 12.692 8.704 ( -2.966 6.062 4.404) 8.058 8.848 ( -3.938 -0.754 -6.830) 7.920 9.383 ( -10.910 -0.549 -18.903) 21.832 9.549 ( 1.634 -4.215 9.737) 10.735 10.077 ( -9.707 1.067 9.397) 13.553 10.216 ( -5.297 0.012 -3.301) 6.241 10.427 ( -7.687 -4.265 0.626) 8.813 11.191 ( 17.546 -5.084 4.066) 18.714 11.362 ( 13.106 0.638 2.095) 13.288 11.720 ( 3.475 -1.861 -5.373) 6.664 11.886 ( 5.247 -0.850 -7.450) 9.152 14.055 ( 6.693 4.184 2.948) 8.425 14.170 ( 9.857 0.709 -0.022) 9.883 14.263 ( 13.462 1.315 15.993) 20.946 14.408 ( 4.311 2.227 10.867) 11.901 14.676 ( 11.126 7.739 -2.187) 13.728 15.567 ( -9.666 -8.965 -2.772) 13.472 15.778 ( -7.986 -3.702 -1.746) 8.974 15.832 ( -4.339 -1.752 -4.877) 6.759 20.087 ( 15.665 2.743 2.239) 16.061 20.143 ( 15.256 4.631 -5.574) 16.890 22.321 ( -1.534 -3.211 -2.210) 4.189 22.599 ( -3.327 -2.821 -7.516) 8.691 ======================= Grid point 14 (10/160) ======================= q-point: ( 0.30 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 8.443 8.744 7.371) 14.216 1.406 ( 7.149 8.591 10.054) 15.034 1.617 ( 5.808 7.119 2.923) 9.641 1.722 ( 2.014 -5.960 0.594) 6.319 1.959 ( 0.927 -1.138 -1.873) 2.380 2.134 ( -5.360 0.581 -1.964) 5.738 2.180 ( -6.609 0.403 -2.570) 7.102 2.280 ( -4.364 -2.066 -7.115) 8.599 2.341 ( 0.642 -1.507 3.110) 3.515 2.434 ( -9.086 2.396 -3.899) 10.174 2.548 ( -12.228 6.444 2.573) 14.060 2.734 ( -6.198 -1.149 -1.536) 6.488 2.929 ( 1.254 12.622 3.131) 13.065 3.065 ( -3.965 5.494 -16.033) 17.406 3.382 ( 11.563 0.725 5.409) 12.786 3.539 ( 10.292 5.460 -0.083) 11.651 3.673 ( 8.783 9.108 8.028) 14.984 3.717 ( 5.977 3.942 21.603) 22.759 3.972 ( 8.220 -4.407 10.458) 14.013 4.045 ( 18.009 5.679 6.730) 20.046 4.201 ( 5.133 0.189 24.442) 24.976 4.462 ( 12.847 8.181 -0.130) 15.231 4.629 ( 11.975 0.630 1.035) 12.036 4.823 ( -1.485 -0.107 -1.628) 2.206 4.981 ( 2.099 -0.129 1.125) 2.384 5.103 ( -9.262 14.321 2.982) 17.314 5.288 ( -0.082 14.906 -9.323) 17.582 5.585 ( -2.463 4.921 -8.161) 9.843 5.723 ( -5.980 -1.503 -1.269) 6.295 5.878 ( -5.008 -2.540 -0.543) 5.641 6.028 ( 4.161 -1.927 4.913) 6.721 6.626 ( -9.084 -14.324 -7.819) 18.677 6.744 ( 6.656 -4.486 2.757) 8.487 6.790 ( 5.671 1.229 3.703) 6.884 7.547 ( 11.229 -0.656 3.257) 11.711 7.628 ( 6.385 -2.472 1.676) 7.049 8.315 ( 5.691 10.324 -4.645) 12.671 8.706 ( -1.717 5.830 2.286) 6.493 8.728 ( -3.414 6.089 -3.112) 7.644 9.008 ( -5.015 1.537 -18.181) 18.922 9.656 ( 0.122 -2.887 5.845) 6.520 9.931 ( -10.016 -1.996 -5.120) 11.424 10.183 ( -5.174 -1.516 9.366) 10.807 10.291 ( -7.957 -3.574 -1.009) 8.781 11.470 ( 10.375 -0.875 5.063) 11.577 11.603 ( 12.452 0.093 1.794) 12.581 11.707 ( 3.361 0.300 -5.611) 6.547 11.876 ( 4.402 -0.563 -8.170) 9.297 14.230 ( 11.796 -5.924 1.851) 13.329 14.349 ( 13.236 -5.512 -0.794) 14.360 14.636 ( 10.678 0.925 11.864) 15.988 14.700 ( 10.232 1.676 16.276) 19.298 14.865 ( 14.828 8.809 -3.037) 17.513 15.352 ( -13.114 -12.643 -1.937) 18.318 15.571 ( -14.705 -10.263 -0.455) 17.938 15.689 ( -4.206 2.717 -8.525) 9.886 20.335 ( 13.949 -0.119 -1.829) 14.069 20.383 ( 15.445 -1.225 2.238) 15.654 22.257 ( -2.483 -1.883 -2.918) 4.269 22.435 ( -4.866 -1.708 -8.573) 10.005 ======================= Grid point 15 (11/160) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -9.003 3.412 5.246) 10.964 1.559 ( 6.036 7.168 5.585) 10.909 1.651 ( 5.909 5.186 -5.432) 9.556 1.785 ( 1.117 -1.176 2.076) 2.635 1.932 ( -1.319 -0.918 -5.496) 5.726 2.002 ( -7.195 0.422 3.396) 7.967 2.115 ( -0.677 -0.236 1.026) 1.251 2.171 ( 2.161 -0.511 -1.075) 2.467 2.272 ( -3.918 3.364 -7.088) 8.769 2.342 ( -0.285 -2.331 -2.776) 3.636 2.450 ( -6.048 0.795 5.156) 7.987 2.586 ( -6.912 1.632 -3.813) 8.061 2.813 ( -5.747 10.294 -7.808) 14.140 3.019 ( 3.186 15.527 4.035) 16.356 3.522 ( 1.990 10.479 0.658) 10.687 3.719 ( 10.861 10.626 -2.516) 15.402 3.927 ( 9.940 1.014 5.335) 11.327 4.032 ( 8.544 2.087 11.415) 14.410 4.292 ( 10.499 -6.535 15.070) 19.494 4.418 ( 2.757 -3.483 10.737) 11.619 4.465 ( 10.918 -7.895 2.089) 13.634 4.669 ( 9.782 1.799 7.042) 12.186 4.747 ( -6.411 0.842 0.843) 6.521 4.847 ( 4.443 -0.750 7.308) 8.585 4.911 ( -2.142 -3.684 -2.447) 4.914 5.028 ( 1.209 5.522 -3.839) 6.833 5.153 ( -5.830 1.412 -5.982) 8.472 5.434 ( -4.581 6.986 -6.547) 10.614 5.692 ( 1.532 1.230 4.237) 4.670 5.830 ( -0.901 5.759 0.798) 5.884 6.063 ( -3.769 -5.902 1.857) 7.244 6.307 ( -12.350 -8.254 -14.511) 20.766 6.788 ( 2.304 1.878 -0.672) 3.048 6.990 ( 5.306 2.583 4.948) 7.701 7.673 ( 2.277 -1.342 -1.434) 3.007 7.753 ( 5.185 -2.994 1.988) 6.309 8.427 ( 9.128 8.924 2.447) 12.998 8.628 ( -3.687 7.882 -1.685) 8.863 8.743 ( 1.777 7.623 1.657) 8.001 8.863 ( 4.566 2.459 -8.428) 9.896 9.682 ( -2.250 -2.295 1.949) 3.759 9.693 ( -8.502 -4.206 -7.480) 12.080 10.162 ( -4.448 -3.201 -0.690) 5.523 10.209 ( -4.730 -1.254 6.712) 8.306 11.641 ( 4.715 0.647 2.458) 5.356 11.696 ( 2.576 1.077 -2.049) 3.463 11.799 ( 7.624 -0.021 0.723) 7.658 11.847 ( 2.037 -0.245 -5.545) 5.912 14.479 ( 15.775 -13.428 1.504) 20.771 14.585 ( 16.403 -12.409 -0.690) 20.579 14.926 ( 8.868 2.030 9.690) 13.291 14.959 ( -1.433 -3.529 9.102) 9.867 15.058 ( 12.897 5.917 -3.511) 14.617 15.112 ( -13.461 -13.093 0.372) 18.782 15.327 ( -13.666 -6.952 1.779) 15.436 15.499 ( -6.208 3.930 -9.321) 11.869 20.523 ( 9.258 -5.206 0.299) 10.625 20.617 ( 9.662 -5.731 1.458) 11.328 22.186 ( -2.105 0.147 -2.216) 3.060 22.267 ( -4.366 0.350 -6.155) 7.554 ======================= Grid point 16 (12/160) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 0.000 4.436 0.000) 4.436 1.639 ( 0.000 7.783 0.000) 7.783 1.741 ( -0.000 -0.198 0.000) 0.198 1.784 ( 0.000 3.712 0.000) 3.712 1.860 ( -0.000 -0.470 0.000) 0.470 1.955 ( 0.000 2.555 0.000) 2.555 2.128 ( 0.000 -1.154 -0.000) 1.154 2.181 ( 0.000 1.773 0.000) 1.773 2.219 ( 0.000 1.098 0.000) 1.098 2.338 ( -0.000 0.916 0.000) 0.916 2.416 ( 0.000 -4.787 0.000) 4.787 2.494 ( -0.000 1.684 0.000) 1.684 2.722 ( 0.000 11.408 0.000) 11.408 3.078 ( 0.000 16.170 0.000) 16.170 3.531 ( 0.000 12.240 0.000) 12.240 3.798 ( 0.000 14.567 0.000) 14.567 4.050 ( 0.000 1.574 -0.000) 1.574 4.195 ( 0.000 4.762 0.000) 4.762 4.426 ( 0.000 -0.931 0.000) 0.931 4.528 ( 0.000 -3.057 0.000) 3.057 4.584 ( -0.000 -14.874 -0.000) 14.874 4.686 ( 0.000 -4.969 0.000) 4.969 4.775 ( -0.000 1.549 0.000) 1.549 4.827 ( 0.000 -12.310 -0.000) 12.310 4.983 ( 0.000 -13.946 0.000) 13.946 5.020 ( 0.000 4.364 0.000) 4.364 5.105 ( -0.000 -0.108 0.000) 0.108 5.325 ( 0.000 8.030 -0.000) 8.030 5.834 ( 0.000 6.744 0.000) 6.744 5.862 ( 0.000 1.237 0.000) 1.237 5.938 ( -0.000 -0.046 -0.000) 0.046 6.063 ( -0.000 -3.370 -0.000) 3.370 6.805 ( 0.000 2.469 0.000) 2.469 7.058 ( 0.000 5.768 0.000) 5.768 7.662 ( 0.000 -0.617 0.000) 0.617 7.813 ( 0.000 -3.223 0.000) 3.223 8.555 ( -0.000 7.600 0.000) 7.600 8.585 ( 0.000 9.121 0.000) 9.121 8.768 ( 0.000 7.618 0.000) 7.618 8.872 ( 0.000 0.960 0.000) 0.960 9.556 ( 0.000 -4.780 -0.000) 4.780 9.667 ( 0.000 -2.296 0.000) 2.296 10.120 ( 0.000 -2.572 0.000) 2.572 10.208 ( -0.000 -1.124 0.000) 1.124 11.679 ( 0.000 0.537 0.000) 0.537 11.722 ( 0.000 1.831 0.000) 1.831 11.828 ( 0.000 0.041 0.000) 0.041 11.868 ( 0.000 -0.450 0.000) 0.450 14.713 ( -0.000 -17.892 0.000) 17.892 14.794 ( 0.000 -14.805 0.000) 14.805 14.861 ( -0.000 -16.283 0.000) 16.283 14.920 ( 0.000 -12.993 -0.000) 12.993 15.106 ( -0.000 3.200 -0.000) 3.200 15.196 ( 0.000 3.988 -0.000) 3.988 15.240 ( -0.000 6.246 0.000) 6.246 15.330 ( 0.000 4.427 0.000) 4.427 20.608 ( 0.000 -7.837 -0.000) 7.837 20.708 ( 0.000 -7.677 0.000) 7.677 22.154 ( 0.000 1.370 0.000) 1.370 22.188 ( -0.000 1.573 -0.000) 1.573 ======================= Grid point 22 (13/160) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 0.000 23.764 0.000) 23.764 1.134 ( 0.000 21.936 0.000) 21.936 1.401 ( 0.000 14.124 0.000) 14.124 1.951 ( 0.000 12.454 0.000) 12.454 2.053 ( 0.000 7.264 0.000) 7.264 2.170 ( 0.000 30.530 0.000) 30.530 2.183 ( 0.000 -6.984 0.000) 6.984 2.359 ( 0.000 -3.689 0.000) 3.689 2.424 ( 0.000 -4.643 0.000) 4.643 2.660 ( 0.000 -10.374 0.000) 10.374 2.725 ( 0.000 5.718 0.000) 5.718 2.997 ( 0.000 -0.390 0.000) 0.390 3.075 ( 0.000 -1.978 0.000) 1.978 3.105 ( 0.000 6.695 0.000) 6.695 3.176 ( 0.000 7.401 0.000) 7.401 3.411 ( 0.000 2.571 0.000) 2.571 3.492 ( 0.000 11.772 0.000) 11.772 3.605 ( 0.000 17.939 0.000) 17.939 3.954 ( 0.000 7.890 0.000) 7.890 4.168 ( 0.000 16.611 0.000) 16.611 4.315 ( 0.000 30.505 0.000) 30.505 4.467 ( 0.000 3.657 0.000) 3.657 4.483 ( 0.000 -12.069 0.000) 12.069 4.654 ( 0.000 12.313 0.000) 12.313 5.099 ( 0.000 20.691 0.000) 20.691 5.152 ( 0.000 11.106 0.000) 11.106 5.257 ( 0.000 7.117 0.000) 7.117 5.529 ( 0.000 0.713 0.000) 0.713 5.812 ( 0.000 4.025 0.000) 4.025 6.167 ( 0.000 9.924 0.000) 9.924 6.309 ( 0.000 4.843 0.000) 4.843 6.410 ( 0.000 2.004 0.000) 2.004 6.649 ( 0.000 -5.005 0.000) 5.005 6.852 ( 0.000 -3.411 0.000) 3.411 7.095 ( 0.000 -8.614 0.000) 8.614 7.410 ( 0.000 -2.161 0.000) 2.161 8.580 ( 0.000 -1.805 0.000) 1.805 8.789 ( 0.000 4.792 0.000) 4.792 9.126 ( 0.000 2.572 0.000) 2.572 9.129 ( 0.000 -8.486 0.000) 8.486 9.556 ( 0.000 -10.021 0.000) 10.021 10.289 ( 0.000 4.092 0.000) 4.092 10.353 ( 0.000 -11.113 0.000) 11.113 10.538 ( 0.000 12.957 0.000) 12.957 10.665 ( 0.000 12.881 0.000) 12.881 10.995 ( 0.000 -3.524 0.000) 3.524 11.610 ( 0.000 -5.171 0.000) 5.171 11.803 ( 0.000 -5.893 0.000) 5.893 13.756 ( 0.000 0.277 0.000) 0.277 13.831 ( 0.000 -1.446 0.000) 1.446 14.460 ( 0.000 26.372 0.000) 26.372 14.659 ( 0.000 9.598 0.000) 9.598 14.708 ( 0.000 14.841 0.000) 14.841 15.736 ( 0.000 -7.601 0.000) 7.601 15.765 ( 0.000 -4.011 0.000) 4.011 15.890 ( 0.000 -6.400 0.000) 6.400 19.974 ( 0.000 13.893 0.000) 13.893 20.072 ( 0.000 12.107 0.000) 12.107 22.265 ( 0.000 -5.714 0.000) 5.714 22.639 ( 0.000 -7.638 0.000) 7.638 ======================= Grid point 23 (14/160) ======================= q-point: ( 0.10 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -1.705 19.421 13.736) 23.849 1.161 ( 6.138 14.981 0.690) 16.204 1.517 ( 9.860 11.458 1.384) 15.179 1.852 ( -1.138 9.734 -10.758) 14.552 2.092 ( -0.717 0.826 -5.806) 5.908 2.155 ( 2.746 -2.982 1.438) 4.301 2.254 ( 3.436 11.909 -1.413) 12.475 2.320 ( 1.934 10.917 -1.849) 11.240 2.481 ( 1.814 -5.722 4.028) 7.229 2.641 ( -10.787 4.545 -0.052) 11.706 2.647 ( -1.495 -10.869 2.087) 11.168 2.958 ( -6.949 1.017 -0.445) 7.037 3.141 ( 3.824 14.743 1.805) 15.337 3.177 ( 0.432 5.288 9.949) 11.276 3.217 ( 1.375 -1.960 16.415) 16.589 3.345 ( -3.727 8.826 -1.425) 9.686 3.491 ( -2.526 11.566 3.936) 12.475 3.627 ( -2.298 13.471 5.384) 14.688 3.938 ( 1.150 9.750 -1.932) 10.006 4.098 ( -5.721 8.076 -11.861) 15.448 4.251 ( -1.979 8.786 -7.165) 11.508 4.407 ( 6.047 22.341 4.195) 23.522 4.652 ( 9.417 4.756 -1.313) 10.632 4.699 ( 2.332 2.542 -1.841) 3.910 4.844 ( -12.921 15.621 7.215) 21.518 5.343 ( 12.292 8.346 3.614) 15.291 5.443 ( 8.545 6.036 2.330) 10.719 5.555 ( -0.804 -0.717 3.772) 3.923 5.813 ( 2.084 4.782 -1.188) 5.350 6.157 ( -4.265 8.468 0.853) 9.519 6.250 ( -6.334 11.784 -4.912) 14.252 6.352 ( 0.710 -1.238 -0.505) 1.514 6.605 ( -6.144 -8.485 0.872) 10.512 6.960 ( -0.611 -1.479 3.068) 3.460 7.035 ( 1.364 -4.063 3.396) 5.469 7.417 ( -0.331 -3.656 2.744) 4.583 8.581 ( 5.230 3.801 -9.156) 11.209 8.764 ( -1.982 4.975 3.249) 6.264 8.986 ( -2.412 2.143 -9.594) 10.122 9.261 ( 2.485 -7.563 10.716) 13.350 9.559 ( -0.606 -6.755 -3.570) 7.665 10.187 ( -8.987 2.124 0.360) 9.242 10.334 ( -1.989 -8.652 -2.329) 9.178 10.493 ( -12.940 3.543 -0.429) 13.423 10.785 ( 17.949 8.306 5.418) 20.506 11.147 ( 12.885 1.037 1.949) 13.073 11.628 ( 4.405 -4.966 -3.396) 7.456 11.820 ( 4.580 -4.722 -3.813) 7.604 13.898 ( 9.226 0.433 10.410) 13.917 13.956 ( 8.509 -0.977 7.671) 11.498 14.352 ( -9.096 17.531 -0.536) 19.757 14.586 ( -12.266 12.590 1.611) 17.651 14.766 ( 10.059 16.001 -1.159) 18.936 15.582 ( -12.249 -8.904 -0.588) 15.155 15.774 ( -7.452 -9.222 -0.462) 11.866 15.866 ( 2.397 -3.044 -3.859) 5.468 20.030 ( 5.629 11.350 1.294) 12.735 20.139 ( 10.553 9.686 -5.506) 15.346 22.260 ( 0.532 -5.227 -1.752) 5.539 22.604 ( -1.002 -7.159 -4.411) 8.468 ======================= Grid point 24 (15/160) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 1.633 10.474 18.900) 21.670 1.346 ( 11.283 6.195 4.001) 13.479 1.661 ( 3.182 2.072 -6.089) 7.176 1.733 ( 4.679 9.259 -2.508) 10.673 1.999 ( -0.427 -0.979 -4.950) 5.064 2.205 ( 2.436 -0.328 -1.912) 3.114 2.224 ( -0.529 -0.316 -4.908) 4.947 2.340 ( 3.834 7.712 -6.614) 10.859 2.411 ( -13.266 1.618 -1.455) 13.444 2.563 ( -0.307 -7.065 5.971) 9.256 2.660 ( -0.772 -5.966 0.268) 6.021 2.782 ( -12.371 -0.477 0.168) 12.381 3.186 ( -0.028 7.486 1.702) 7.677 3.244 ( -5.274 17.680 2.525) 18.622 3.380 ( -5.353 9.341 6.093) 12.371 3.454 ( 4.570 6.677 19.985) 21.560 3.565 ( -5.424 -0.654 21.295) 21.984 3.713 ( 5.647 10.144 0.957) 11.649 3.880 ( 0.742 9.108 2.066) 9.369 3.997 ( 7.600 8.905 -0.341) 11.712 4.187 ( 5.544 16.994 -8.159) 19.650 4.585 ( 4.927 12.358 5.246) 14.301 4.619 ( -1.242 13.784 -0.995) 13.875 4.775 ( 6.673 -2.974 -2.974) 7.888 4.897 ( -0.107 3.213 9.523) 10.051 5.485 ( -8.581 -0.278 1.500) 8.715 5.547 ( 6.723 1.954 -0.872) 7.056 5.626 ( 8.046 1.310 1.400) 8.272 5.796 ( -1.096 0.256 -6.555) 6.651 6.018 ( -9.392 14.544 -2.919) 17.557 6.116 ( -1.979 8.858 -0.461) 9.088 6.403 ( -4.977 -6.575 6.723) 10.640 6.511 ( -0.872 -6.526 0.990) 6.658 6.874 ( -3.868 3.719 -0.908) 5.442 7.263 ( 12.236 -2.728 6.358) 14.056 7.475 ( 2.172 -3.158 4.250) 5.723 8.562 ( 9.411 12.627 -12.863) 20.334 8.796 ( -1.960 3.831 4.992) 6.591 8.896 ( 1.506 5.971 -3.172) 6.927 9.359 ( -6.726 -2.332 -14.335) 16.006 9.442 ( 1.892 -5.254 8.431) 10.113 10.091 ( -8.832 -0.037 6.491) 10.961 10.194 ( -6.665 -2.910 -8.418) 11.124 10.304 ( -9.624 -7.027 1.911) 12.068 11.158 ( 17.926 2.607 5.611) 18.964 11.394 ( 13.592 2.516 2.292) 14.011 11.665 ( 5.799 -3.315 -4.879) 8.271 11.851 ( 6.631 -2.755 -7.297) 10.237 14.179 ( -2.588 7.325 6.028) 9.834 14.199 ( 5.739 2.139 3.010) 6.824 14.281 ( 9.959 0.992 12.741) 16.202 14.473 ( -3.159 4.286 8.434) 9.974 14.928 ( 12.513 15.544 -3.373) 20.238 15.339 ( -16.616 -12.816 -0.417) 20.989 15.557 ( -17.034 -14.434 0.085) 22.327 15.837 ( 1.735 -0.886 -8.236) 8.463 20.168 ( 8.340 4.866 1.763) 9.815 20.247 ( 9.606 5.019 -5.032) 11.949 22.243 ( 1.002 -3.771 -3.345) 5.140 22.511 ( -1.660 -5.647 -7.633) 9.639 ======================= Grid point 25 (16/160) ======================= q-point: ( 0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 2.494 -0.977 7.566) 8.026 1.574 ( 7.452 4.483 7.526) 11.501 1.647 ( 4.285 10.017 0.862) 10.929 1.827 ( 6.427 7.050 -3.919) 10.313 1.974 ( 1.678 1.517 -1.640) 2.794 2.115 ( -2.812 -1.623 -5.565) 6.443 2.168 ( -6.947 -0.669 -3.080) 7.628 2.247 ( -3.854 -0.479 -4.400) 5.869 2.291 ( -3.421 -2.331 0.326) 4.152 2.484 ( -7.917 1.438 -0.165) 8.048 2.597 ( -6.836 -0.885 -2.021) 7.184 2.685 ( -4.991 -4.705 3.780) 7.832 3.172 ( -0.573 6.107 -1.210) 6.252 3.262 ( 0.363 12.485 0.937) 12.525 3.366 ( 3.662 1.396 2.265) 4.527 3.519 ( 2.099 -3.510 -3.026) 5.087 3.756 ( 1.733 3.874 25.196) 25.551 3.995 ( 6.150 10.439 17.821) 21.550 4.072 ( 6.452 14.376 3.489) 16.139 4.201 ( 8.273 2.402 15.002) 17.300 4.271 ( 8.710 15.163 -3.530) 17.839 4.578 ( -1.692 -4.103 2.857) 5.278 4.717 ( -1.593 3.616 9.929) 10.686 4.835 ( 5.518 6.161 -2.941) 8.778 4.972 ( 0.074 1.977 2.554) 3.230 5.253 ( -17.333 -9.321 -2.903) 19.893 5.462 ( -8.795 3.848 -12.374) 15.661 5.643 ( 3.243 2.054 -1.061) 3.983 5.784 ( -1.214 9.088 -0.009) 9.168 5.912 ( -0.033 4.884 -2.950) 5.706 6.086 ( -2.582 7.639 -0.270) 8.068 6.329 ( -5.256 -9.582 -0.894) 10.965 6.660 ( 8.720 -3.157 8.212) 12.387 6.845 ( -0.182 3.018 2.225) 3.754 7.525 ( 10.791 -1.734 4.074) 11.664 7.570 ( 3.073 -2.758 3.949) 5.714 8.600 ( 11.282 15.993 -10.492) 22.207 8.815 ( 0.151 6.950 1.978) 7.227 8.917 ( 0.313 9.952 0.453) 9.967 9.056 ( -3.279 3.207 -14.754) 15.450 9.570 ( 1.959 -5.432 5.097) 7.702 9.874 ( -13.048 -3.177 -7.630) 15.445 10.119 ( -4.762 -5.459 4.919) 8.757 10.186 ( -6.658 -6.138 1.671) 9.209 11.473 ( 12.905 1.599 4.770) 13.851 11.618 ( 10.014 1.223 1.496) 10.198 11.706 ( 6.296 -0.296 -4.466) 7.725 11.861 ( 5.712 -1.058 -8.528) 10.319 14.137 ( -0.279 -2.450 0.561) 2.529 14.242 ( 0.640 -3.534 0.423) 3.616 14.656 ( 10.291 0.457 14.987) 18.186 14.715 ( 9.004 0.347 14.409) 16.994 15.022 ( -12.117 -12.331 -1.787) 17.381 15.095 ( 2.538 3.465 -3.581) 5.592 15.282 ( -14.209 -13.226 2.675) 19.596 15.732 ( -0.503 0.602 -11.416) 11.443 20.308 ( 6.960 -2.402 -1.075) 7.441 20.348 ( 6.216 -2.278 1.257) 6.738 22.217 ( 1.141 -1.625 -4.106) 4.561 22.385 ( -2.001 -3.109 -8.443) 9.217 ======================= Grid point 26 (17/160) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -1.881 2.805 2.595) 4.259 1.711 ( 1.632 5.500 6.017) 8.314 1.765 ( 6.143 8.631 0.667) 10.615 1.842 ( 2.356 5.762 -4.748) 7.829 1.960 ( -3.640 3.422 -2.782) 5.718 2.030 ( -1.761 1.589 3.454) 4.190 2.075 ( 1.855 -2.914 -3.953) 5.249 2.173 ( 2.129 0.678 -0.405) 2.271 2.285 ( 0.746 -1.584 0.302) 1.777 2.363 ( -6.202 4.582 -3.515) 8.475 2.449 ( -8.743 -0.687 1.840) 8.961 2.595 ( -7.877 -1.172 -0.227) 7.967 3.069 ( -3.392 12.239 -5.212) 13.728 3.359 ( 6.127 12.254 2.844) 13.993 3.533 ( 8.607 -9.627 5.588) 14.071 3.669 ( 16.510 -16.551 -0.232) 23.379 4.027 ( 3.728 9.352 -3.009) 10.508 4.104 ( 1.431 4.577 13.357) 14.191 4.244 ( -6.625 -7.292 -0.443) 9.862 4.363 ( -0.697 -2.477 15.203) 15.419 4.411 ( 6.579 7.668 8.254) 13.047 4.586 ( -3.873 -3.861 3.705) 6.606 4.778 ( -11.268 -2.646 6.545) 13.297 4.887 ( -0.548 -1.619 -5.779) 6.026 4.932 ( -1.188 10.391 5.510) 11.821 5.033 ( -0.355 1.246 3.829) 4.042 5.227 ( -1.348 7.559 -10.995) 13.411 5.652 ( -8.620 10.188 1.640) 13.446 5.747 ( 6.667 4.539 -1.537) 8.210 5.908 ( 1.970 0.850 -2.873) 3.586 6.031 ( -2.744 3.202 -0.326) 4.229 6.195 ( -4.418 -0.974 -8.835) 9.926 6.822 ( 2.029 0.985 2.703) 3.521 6.978 ( 6.977 -3.377 7.933) 11.091 7.625 ( 0.776 -3.118 0.252) 3.223 7.680 ( 3.419 -3.929 2.107) 5.618 8.685 ( 10.050 13.600 -4.668) 17.543 8.830 ( -1.312 11.340 0.889) 11.450 8.900 ( 7.086 8.269 -7.037) 12.965 8.999 ( 0.393 10.455 0.869) 10.499 9.569 ( -9.063 -7.007 -7.675) 13.789 9.615 ( -3.606 -4.343 1.182) 5.767 10.061 ( -3.172 -6.695 -0.473) 7.423 10.160 ( -3.753 -3.830 5.782) 7.885 11.673 ( 5.792 2.291 1.516) 6.411 11.713 ( 3.765 0.633 -0.124) 3.820 11.799 ( 6.298 0.043 -0.531) 6.320 11.848 ( 3.224 0.341 -6.038) 6.853 14.202 ( 7.059 -12.266 0.725) 14.171 14.303 ( 6.632 -13.186 0.224) 14.761 14.701 ( -15.189 -18.429 -1.159) 23.910 14.776 ( -15.872 -17.845 2.107) 23.975 15.002 ( 9.048 3.552 12.040) 15.473 15.148 ( 2.101 1.164 11.163) 11.418 15.292 ( 7.850 4.879 -3.130) 9.758 15.564 ( -3.012 2.002 -12.440) 12.955 20.378 ( 3.245 -8.273 -0.456) 8.898 20.455 ( 3.505 -9.388 2.133) 10.245 22.191 ( 0.897 0.348 -2.974) 3.126 22.269 ( -1.648 -0.346 -5.766) 6.007 ======================= Grid point 27 (18/160) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -0.000 8.277 0.000) 8.277 1.772 ( 0.000 3.959 -0.000) 3.959 1.820 ( -0.000 9.060 0.000) 9.060 1.877 ( -0.000 5.279 -0.000) 5.279 1.880 ( 0.000 2.239 0.000) 2.239 2.033 ( 0.000 4.656 0.000) 4.656 2.083 ( 0.000 -1.501 0.000) 1.501 2.224 ( 0.000 0.006 0.000) 0.006 2.267 ( 0.000 4.796 -0.000) 4.796 2.339 ( -0.000 -0.481 0.000) 0.481 2.347 ( 0.000 -1.982 -0.000) 1.982 2.503 ( 0.000 -1.071 0.000) 1.071 3.007 ( 0.000 14.369 0.000) 14.369 3.434 ( -0.000 15.220 0.000) 15.220 3.695 ( 0.000 -4.038 0.000) 4.038 3.883 ( 0.000 -20.646 0.000) 20.646 4.006 ( -0.000 -23.310 0.000) 23.310 4.086 ( 0.000 7.729 0.000) 7.729 4.187 ( 0.000 -16.799 -0.000) 16.799 4.415 ( 0.000 4.427 0.000) 4.427 4.511 ( 0.000 -0.293 -0.000) 0.293 4.619 ( 0.000 9.589 0.000) 9.589 4.674 ( 0.000 -4.844 0.000) 4.844 4.840 ( 0.000 3.546 0.000) 3.546 4.964 ( 0.000 10.939 0.000) 10.939 5.106 ( -0.000 0.511 0.000) 0.511 5.177 ( -0.000 10.711 0.000) 10.711 5.545 ( 0.000 10.559 -0.000) 10.559 5.866 ( 0.000 -0.509 0.000) 0.509 5.893 ( 0.000 1.584 -0.000) 1.584 6.014 ( 0.000 4.954 0.000) 4.954 6.048 ( -0.000 2.070 -0.000) 2.070 6.855 ( 0.000 2.175 0.000) 2.175 7.092 ( 0.000 -2.940 0.000) 2.940 7.622 ( 0.000 -3.324 0.000) 3.324 7.717 ( 0.000 -5.909 0.000) 5.909 8.780 ( 0.000 10.419 0.000) 10.419 8.808 ( 0.000 11.425 0.000) 11.425 8.960 ( 0.000 10.813 0.000) 10.813 8.985 ( -0.000 13.052 0.000) 13.052 9.417 ( 0.000 -8.347 -0.000) 8.347 9.590 ( 0.000 -5.133 0.000) 5.133 10.034 ( 0.000 -5.943 0.000) 5.943 10.164 ( -0.000 -3.578 0.000) 3.578 11.705 ( 0.000 1.718 0.000) 1.718 11.768 ( 0.000 2.669 -0.000) 2.669 11.837 ( 0.000 0.838 0.000) 0.838 11.849 ( 0.000 -1.429 0.000) 1.429 14.320 ( -0.000 -18.760 0.000) 18.760 14.429 ( 0.000 -19.126 0.000) 19.126 14.485 ( -0.000 -18.452 -0.000) 18.452 14.594 ( 0.000 -17.366 -0.000) 17.366 15.184 ( -0.000 4.423 -0.000) 4.423 15.281 ( 0.000 4.225 -0.000) 4.225 15.340 ( -0.000 3.620 0.000) 3.620 15.401 ( 0.000 2.343 0.000) 2.343 20.403 ( 0.000 -11.021 0.000) 11.021 20.497 ( 0.000 -11.899 0.000) 11.899 22.182 ( 0.000 1.123 0.000) 1.123 22.217 ( -0.000 0.959 -0.000) 0.959 ======================= Grid point 33 (19/160) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 0.000 19.406 0.000) 19.406 1.544 ( 0.000 17.924 0.000) 17.924 1.653 ( 0.000 10.450 0.000) 10.450 2.044 ( 0.000 -6.434 0.000) 6.434 2.048 ( 0.000 -3.072 0.000) 3.072 2.197 ( 0.000 6.886 0.000) 6.886 2.247 ( 0.000 -6.413 0.000) 6.413 2.325 ( 0.000 -9.176 0.000) 9.176 2.343 ( 0.000 -0.578 0.000) 0.578 2.643 ( 0.000 -0.029 0.000) 0.029 2.813 ( 0.000 3.628 0.000) 3.628 2.970 ( 0.000 -2.924 0.000) 2.924 3.061 ( 0.000 1.736 0.000) 1.736 3.189 ( 0.000 0.489 0.000) 0.489 3.327 ( 0.000 8.854 0.000) 8.854 3.617 ( 0.000 14.469 0.000) 14.469 3.832 ( 0.000 2.701 0.000) 2.701 3.849 ( 0.000 19.237 0.000) 19.237 4.183 ( 0.000 15.400 0.000) 15.400 4.318 ( 0.000 -3.139 0.000) 3.139 4.413 ( 0.000 -5.209 0.000) 5.209 4.481 ( 0.000 7.419 0.000) 7.419 4.791 ( 0.000 16.655 0.000) 16.655 5.108 ( 0.000 26.671 0.000) 26.671 5.246 ( 0.000 -2.776 0.000) 2.776 5.344 ( 0.000 8.902 0.000) 8.902 5.517 ( 0.000 -2.405 0.000) 2.405 5.581 ( 0.000 15.215 0.000) 15.215 5.925 ( 0.000 8.759 0.000) 8.759 6.098 ( 0.000 -6.937 0.000) 6.937 6.373 ( 0.000 -1.734 0.000) 1.734 6.509 ( 0.000 -1.673 0.000) 1.673 6.514 ( 0.000 -4.905 0.000) 4.905 6.759 ( 0.000 -5.840 0.000) 5.840 7.000 ( 0.000 1.535 0.000) 1.535 7.315 ( 0.000 -7.349 0.000) 7.349 8.578 ( 0.000 2.789 0.000) 2.789 8.923 ( 0.000 8.000 0.000) 8.000 8.926 ( 0.000 -10.870 0.000) 10.870 9.311 ( 0.000 14.964 0.000) 14.964 9.331 ( 0.000 -11.224 0.000) 11.224 10.062 ( 0.000 -16.711 0.000) 16.711 10.400 ( 0.000 6.578 0.000) 6.578 10.677 ( 0.000 -2.301 0.000) 2.301 10.942 ( 0.000 13.217 0.000) 13.217 11.042 ( 0.000 9.708 0.000) 9.708 11.481 ( 0.000 -6.912 0.000) 6.912 11.642 ( 0.000 -9.693 0.000) 9.693 13.760 ( 0.000 0.263 0.000) 0.263 13.799 ( 0.000 -1.544 0.000) 1.544 14.915 ( 0.000 14.618 0.000) 14.618 14.934 ( 0.000 19.238 0.000) 19.238 15.103 ( 0.000 21.536 0.000) 21.536 15.533 ( 0.000 -11.935 0.000) 11.935 15.605 ( 0.000 -11.604 0.000) 11.604 15.738 ( 0.000 -8.689 0.000) 8.689 20.278 ( 0.000 13.625 0.000) 13.625 20.320 ( 0.000 10.611 0.000) 10.611 22.168 ( 0.000 -2.409 0.000) 2.409 22.434 ( 0.000 -11.586 0.000) 11.586 ======================= Grid point 34 (20/160) ======================= q-point: ( 0.10 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -3.903 12.530 -5.819) 14.356 1.479 ( -0.367 14.140 0.168) 14.146 1.710 ( 1.637 7.438 0.964) 7.677 1.968 ( -3.663 0.571 -5.176) 6.367 2.071 ( 2.123 -2.776 -1.191) 3.692 2.123 ( 0.415 1.358 -3.555) 3.828 2.246 ( -0.720 -0.141 -3.385) 3.463 2.343 ( 2.515 -4.157 -1.091) 4.979 2.424 ( 1.316 -8.941 7.465) 11.721 2.555 ( 0.640 -0.692 -10.336) 10.379 2.754 ( -9.145 4.637 -1.797) 10.409 2.930 ( -6.243 -3.560 -0.572) 7.209 3.188 ( -1.561 0.356 21.782) 21.841 3.283 ( -2.895 0.002 16.311) 16.566 3.357 ( 2.329 10.988 5.835) 12.657 3.646 ( 1.220 17.264 3.235) 17.607 3.782 ( -0.770 7.722 -3.726) 8.609 3.893 ( 2.218 13.692 1.669) 13.971 4.111 ( -12.134 10.055 1.425) 15.823 4.230 ( 1.279 9.314 -5.825) 11.060 4.474 ( 3.571 -7.204 -0.246) 8.044 4.507 ( 4.083 5.811 -2.107) 7.408 4.791 ( -2.950 12.108 1.692) 12.577 4.973 ( -7.734 9.726 2.252) 12.629 5.154 ( -8.870 12.629 -7.541) 17.177 5.409 ( 7.366 3.301 -5.236) 9.622 5.537 ( 0.545 3.354 2.796) 4.401 5.575 ( -1.351 -0.093 3.836) 4.068 5.919 ( -2.482 4.378 -0.707) 5.082 6.130 ( -0.298 -5.012 3.382) 6.053 6.350 ( -4.029 -1.937 0.906) 4.561 6.446 ( -3.438 2.705 -0.228) 4.381 6.511 ( -0.788 3.337 0.691) 3.498 6.872 ( 6.474 -6.922 4.323) 10.418 7.025 ( 3.410 3.173 0.917) 4.747 7.313 ( -1.636 -6.998 4.435) 8.445 8.643 ( 8.422 4.295 -1.692) 9.604 8.897 ( 0.175 5.345 0.504) 5.372 9.027 ( 8.481 -3.885 -2.732) 9.720 9.178 ( -5.465 3.070 1.471) 6.439 9.447 ( 1.517 -0.127 3.237) 3.577 10.040 ( -2.025 -15.479 -0.911) 15.638 10.300 ( -9.067 4.894 -1.905) 10.478 10.512 ( -14.468 -2.341 -4.162) 15.235 11.018 ( 11.638 12.477 1.247) 17.108 11.225 ( 13.671 5.988 1.525) 15.002 11.511 ( 5.826 -5.869 -2.992) 8.795 11.687 ( 6.704 -8.168 -2.851) 10.944 13.903 ( 9.856 0.250 9.871) 13.951 13.934 ( 9.329 -1.127 8.765) 12.850 14.700 ( -16.643 16.663 -0.221) 23.552 14.870 ( -14.416 15.134 0.254) 20.903 15.155 ( 7.094 17.243 -3.132) 18.906 15.367 ( -14.627 -10.313 0.278) 17.900 15.527 ( -13.048 -14.034 0.081) 19.162 15.765 ( 5.289 -7.350 -4.269) 10.011 20.276 ( -0.743 11.006 0.879) 11.066 20.336 ( 2.779 8.135 -2.463) 8.942 22.177 ( 3.047 -1.688 -2.961) 4.572 22.419 ( 1.241 -10.261 -4.417) 11.240 ======================= Grid point 35 (21/160) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 2.946 1.625 -1.177) 3.565 1.483 ( 3.956 1.110 -2.814) 4.981 1.713 ( -1.319 7.098 4.598) 8.559 1.934 ( 2.226 8.013 0.299) 8.322 2.056 ( 2.519 7.270 -6.469) 10.052 2.113 ( -0.372 -6.708 -1.041) 6.799 2.214 ( 0.811 -0.607 -0.950) 1.389 2.360 ( -0.498 -3.185 -4.844) 5.819 2.431 ( -3.179 -5.140 4.014) 7.255 2.514 ( -12.580 4.819 -3.572) 13.937 2.533 ( 2.826 -6.060 -3.588) 7.589 2.733 ( -13.592 -4.682 -2.676) 14.623 3.329 ( 0.294 4.928 1.649) 5.204 3.406 ( -5.984 -0.489 17.931) 18.910 3.545 ( -6.776 9.354 20.300) 23.356 3.667 ( -8.272 7.031 0.220) 10.858 3.771 ( -4.602 20.440 17.317) 27.182 3.897 ( -5.747 6.875 0.254) 8.964 4.021 ( 6.157 7.899 6.311) 11.838 4.268 ( 8.999 12.458 -3.076) 15.673 4.490 ( 6.131 7.826 -7.183) 12.265 4.570 ( 1.082 -5.886 4.507) 7.492 4.693 ( -10.725 -2.981 0.724) 11.155 4.948 ( -1.334 0.486 3.452) 3.733 4.987 ( -5.408 10.478 0.917) 11.827 5.294 ( -8.044 -6.694 -8.761) 13.648 5.573 ( 6.590 1.419 -2.210) 7.094 5.668 ( 3.851 -0.615 -4.754) 6.149 5.854 ( -0.407 3.985 -0.322) 4.018 6.059 ( -14.004 -5.843 7.595) 16.969 6.360 ( -2.127 5.817 0.095) 6.195 6.364 ( -1.735 5.777 0.923) 6.102 6.542 ( 2.096 7.913 1.751) 8.371 6.907 ( -2.439 -2.178 -0.350) 3.288 7.224 ( 11.911 0.040 7.449) 14.049 7.394 ( 2.064 -4.951 8.036) 9.661 8.780 ( 12.002 8.572 -4.663) 15.469 8.931 ( 0.936 7.832 2.894) 8.402 9.064 ( 5.198 8.181 -5.209) 11.004 9.234 ( 4.914 -8.218 -0.531) 9.590 9.424 ( -5.575 4.586 1.680) 7.412 9.987 ( -3.692 -12.845 0.429) 13.372 10.123 ( -9.298 -0.403 -3.078) 9.802 10.200 ( -14.287 -3.274 -5.248) 15.569 11.275 ( 15.328 7.580 2.391) 17.266 11.458 ( 12.857 2.830 0.591) 13.178 11.597 ( 9.055 -2.516 -3.722) 10.108 11.766 ( 8.553 -5.529 -5.891) 11.765 14.237 ( 10.169 1.545 9.700) 14.138 14.262 ( 13.122 0.425 16.102) 20.776 14.413 ( -16.726 11.748 0.474) 20.445 14.610 ( -15.247 9.340 4.065) 18.337 15.024 ( -19.878 -14.212 -0.425) 24.439 15.197 ( -16.789 -11.343 -2.010) 20.361 15.318 ( 1.957 9.675 -1.907) 10.053 15.769 ( 4.064 -5.869 -8.596) 11.173 20.273 ( -1.315 4.812 1.269) 5.147 20.332 ( -0.321 2.735 -1.988) 3.396 22.194 ( 4.633 -0.279 -5.158) 6.939 22.375 ( 1.926 -7.109 -7.512) 10.520 ======================= Grid point 36 (22/160) ======================= q-point: ( 0.30 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 6.794 0.010 2.762) 7.334 1.621 ( 12.837 -3.950 0.860) 13.459 1.815 ( 2.348 7.061 8.570) 11.349 1.977 ( 1.626 6.760 0.489) 6.971 2.028 ( 1.031 7.816 -3.421) 8.594 2.084 ( 0.443 -3.460 -3.520) 4.955 2.196 ( -7.226 1.943 0.065) 7.483 2.244 ( -3.595 -1.002 -1.214) 3.925 2.283 ( -4.711 3.210 -4.971) 7.564 2.465 ( -0.016 -4.197 -0.878) 4.288 2.515 ( -6.794 -5.438 2.132) 8.960 2.553 ( -0.042 -7.278 -1.557) 7.443 3.291 ( -9.696 5.843 4.210) 12.078 3.399 ( -12.231 5.973 -1.193) 13.663 3.430 ( -7.069 2.528 3.923) 8.471 3.603 ( -0.639 9.694 1.567) 9.841 3.873 ( -3.025 5.279 14.041) 15.303 3.998 ( -5.087 -3.774 19.465) 20.469 4.139 ( -10.205 -12.595 7.797) 17.988 4.421 ( 9.886 14.656 -0.646) 17.691 4.534 ( -8.501 -1.550 5.778) 10.395 4.577 ( 6.233 5.758 -0.116) 8.486 4.667 ( 2.811 3.343 12.907) 13.626 4.895 ( -1.767 -4.612 -5.328) 7.264 4.973 ( -1.951 -3.298 -1.683) 4.185 5.124 ( 0.276 5.103 -0.408) 5.127 5.567 ( -2.000 5.611 -8.052) 10.016 5.672 ( 7.440 0.603 -4.456) 8.694 5.882 ( -0.058 1.521 0.590) 1.632 5.940 ( -6.697 -1.472 2.263) 7.220 6.254 ( -6.163 6.004 -1.112) 8.676 6.372 ( -2.433 8.597 -0.175) 8.937 6.633 ( 4.986 1.698 5.293) 7.467 6.869 ( -2.744 -1.695 2.519) 4.092 7.479 ( 7.625 -1.733 6.440) 10.130 7.523 ( 1.888 -2.274 6.679) 7.304 8.897 ( 9.570 11.614 -8.278) 17.175 8.985 ( 2.478 8.104 1.926) 8.691 9.106 ( 5.312 4.209 -5.487) 8.720 9.171 ( 1.604 10.597 -8.190) 13.488 9.451 ( 0.459 -4.140 5.406) 6.825 9.826 ( -15.343 -1.349 -6.024) 16.539 9.937 ( -2.826 -10.975 -1.440) 11.424 10.056 ( -5.425 -6.708 3.054) 9.152 11.535 ( 12.637 3.967 2.148) 13.418 11.637 ( 8.585 0.093 -0.896) 8.633 11.710 ( 9.053 1.115 -2.624) 9.491 11.823 ( 7.424 -2.747 -6.892) 10.495 14.146 ( -12.046 3.676 -0.260) 12.598 14.238 ( -11.800 3.375 0.698) 12.293 14.588 ( -4.468 -9.179 5.078) 11.402 14.678 ( -16.876 -14.646 2.859) 22.528 14.744 ( 7.268 1.656 15.722) 17.400 14.923 ( -9.090 -10.480 11.477) 18.006 15.379 ( 9.184 11.144 -7.570) 16.305 15.703 ( 2.434 -3.595 -11.984) 12.746 20.258 ( -2.012 -1.882 0.559) 2.811 20.291 ( -3.274 -2.917 1.080) 4.517 22.204 ( 4.162 0.613 -5.708) 7.091 22.313 ( 1.567 -3.727 -8.039) 8.999 ======================= Grid point 37 (23/160) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 8.641 4.936 3.881) 10.681 1.817 ( 8.256 1.783 -0.595) 8.468 1.926 ( 0.410 5.348 6.276) 8.256 1.999 ( 0.801 5.020 -0.438) 5.103 2.019 ( 0.986 8.334 -0.523) 8.408 2.058 ( 0.605 0.984 -1.198) 1.664 2.087 ( 0.746 4.583 -2.480) 5.264 2.202 ( 1.897 2.065 0.131) 2.807 2.276 ( 0.198 0.536 1.259) 1.382 2.400 ( -6.466 -2.175 2.741) 7.352 2.445 ( -3.027 -0.735 -4.472) 5.450 2.525 ( -5.735 -5.585 1.038) 8.072 3.204 ( -0.303 -1.500 -1.988) 2.509 3.241 ( -2.768 -6.156 2.363) 7.151 3.390 ( -3.151 -4.690 3.501) 6.647 3.643 ( 2.416 6.990 0.412) 7.407 3.774 ( -19.242 -24.147 -2.395) 30.969 3.940 ( -13.206 -14.340 2.682) 19.678 4.228 ( 3.199 2.605 19.335) 19.770 4.384 ( -8.455 -0.638 2.568) 8.859 4.571 ( 0.151 5.407 10.200) 11.545 4.700 ( 5.048 7.106 -1.606) 8.863 4.829 ( 2.164 10.192 -2.651) 10.751 4.891 ( -1.807 1.822 -0.562) 2.627 4.994 ( 10.673 2.644 7.032) 13.052 5.229 ( 3.629 7.441 8.279) 11.709 5.425 ( -2.548 11.426 -8.299) 14.350 5.728 ( -1.337 -0.656 2.775) 3.150 5.839 ( 2.424 1.733 -7.694) 8.251 5.885 ( -0.179 -2.450 -3.558) 4.324 6.146 ( -4.371 7.277 -0.691) 8.517 6.280 ( -6.108 6.345 -2.797) 9.240 6.809 ( 5.842 -1.780 5.799) 8.422 6.900 ( 0.823 -3.456 6.758) 7.635 7.560 ( -2.178 -2.603 1.875) 3.877 7.598 ( 0.392 -3.731 1.553) 4.060 8.896 ( 5.313 7.908 -7.514) 12.133 9.041 ( 2.804 9.716 -2.515) 10.421 9.142 ( 6.526 3.990 -1.859) 7.872 9.210 ( 7.726 13.556 -3.308) 15.950 9.442 ( -6.219 -4.674 -2.441) 8.154 9.562 ( -10.115 2.733 0.507) 10.490 9.887 ( -1.393 -9.822 -0.672) 9.943 10.037 ( -2.702 -8.295 4.133) 9.654 11.716 ( 5.001 1.300 -1.331) 5.336 11.726 ( 6.259 0.669 1.471) 6.464 11.808 ( 4.798 1.048 -1.332) 5.089 11.852 ( 4.470 -0.182 -4.821) 6.576 14.016 ( -3.737 -5.121 0.122) 6.341 14.098 ( -4.905 -6.032 0.259) 7.779 14.326 ( -15.507 -15.501 -0.761) 21.940 14.412 ( -16.027 -15.715 0.461) 22.451 15.078 ( 7.868 3.601 15.504) 17.755 15.159 ( 3.838 -0.041 18.247) 18.647 15.418 ( 8.085 6.163 -10.802) 14.834 15.576 ( 0.106 -0.926 -13.636) 13.668 20.221 ( -2.208 -5.902 0.084) 6.302 20.267 ( -2.171 -7.854 2.188) 8.437 22.201 ( 2.370 0.724 -3.846) 4.575 22.251 ( 0.623 -1.298 -5.308) 5.500 ======================= Grid point 38 (24/160) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -0.000 10.074 0.000) 10.074 1.877 ( 0.000 3.360 0.000) 3.360 1.968 ( -0.000 7.907 0.000) 7.907 1.990 ( 0.000 8.263 0.000) 8.263 2.035 ( 0.000 9.927 -0.000) 9.927 2.083 ( 0.000 1.481 0.000) 1.481 2.122 ( 0.000 2.499 0.000) 2.499 2.249 ( -0.000 3.620 0.000) 3.620 2.299 ( -0.000 -2.316 -0.000) 2.316 2.316 ( 0.000 -1.591 0.000) 1.591 2.371 ( 0.000 3.111 0.000) 3.111 2.447 ( 0.000 -4.374 0.000) 4.374 3.198 ( 0.000 0.990 0.000) 0.990 3.377 ( -0.000 -19.191 -0.000) 19.191 3.385 ( 0.000 -22.744 0.000) 22.744 3.471 ( 0.000 -23.032 0.000) 23.032 3.670 ( 0.000 5.818 0.000) 5.818 3.793 ( 0.000 -9.719 -0.000) 9.719 4.314 ( 0.000 5.661 -0.000) 5.661 4.471 ( 0.000 -1.467 0.000) 1.467 4.590 ( 0.000 6.492 0.000) 6.492 4.717 ( 0.000 7.090 0.000) 7.090 4.836 ( 0.000 4.676 0.000) 4.676 4.871 ( -0.000 0.938 -0.000) 0.938 5.159 ( -0.000 7.990 0.000) 7.990 5.256 ( 0.000 13.996 0.000) 13.996 5.423 ( -0.000 10.661 0.000) 10.661 5.673 ( 0.000 1.237 0.000) 1.237 5.847 ( -0.000 -1.360 0.000) 1.360 5.851 ( 0.000 -4.980 -0.000) 4.980 6.136 ( 0.000 5.779 0.000) 5.779 6.165 ( -0.000 7.792 -0.000) 7.792 6.889 ( 0.000 1.000 0.000) 1.000 6.982 ( 0.000 -5.940 0.000) 5.940 7.543 ( 0.000 -3.693 0.000) 3.693 7.586 ( -0.000 -6.048 0.000) 6.048 8.918 ( 0.000 5.533 0.000) 5.533 9.027 ( 0.000 9.168 0.000) 9.168 9.240 ( -0.000 -7.220 -0.000) 7.220 9.280 ( 0.000 14.412 0.000) 14.412 9.294 ( 0.000 13.693 -0.000) 13.693 9.485 ( -0.000 -1.586 0.000) 1.586 9.875 ( 0.000 -9.161 0.000) 9.161 10.042 ( 0.000 -8.609 0.000) 8.609 11.737 ( 0.000 1.396 0.000) 1.396 11.809 ( 0.000 -2.172 0.000) 2.172 11.828 ( 0.000 2.744 -0.000) 2.744 11.860 ( 0.000 0.984 0.000) 0.984 14.002 ( -0.000 -10.927 0.000) 10.927 14.074 ( 0.000 -13.858 0.000) 13.858 14.173 ( -0.000 -10.387 0.000) 10.387 14.265 ( 0.000 -13.292 0.000) 13.292 15.281 ( -0.000 4.681 -0.000) 4.681 15.363 ( 0.000 3.443 -0.000) 3.443 15.386 ( 0.000 0.691 0.000) 0.691 15.427 ( 0.000 0.276 0.000) 0.276 20.203 ( 0.000 -7.264 0.000) 7.264 20.263 ( 0.000 -9.706 0.000) 9.706 22.199 ( 0.000 0.561 0.000) 0.561 22.223 ( 0.000 -0.353 -0.000) 0.353 ======================= Grid point 44 (25/160) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 0.000 -3.457 0.000) 3.457 1.774 ( 0.000 3.457 0.000) 3.457 1.832 ( 0.000 -12.248 0.000) 12.248 1.832 ( 0.000 12.248 0.000) 12.248 2.081 ( 0.000 -7.105 0.000) 7.105 2.081 ( 0.000 7.105 0.000) 7.105 2.193 ( 0.000 -1.387 0.000) 1.387 2.193 ( 0.000 1.387 0.000) 1.387 2.508 ( 0.000 -10.190 0.000) 10.190 2.508 ( 0.000 10.190 0.000) 10.190 2.892 ( 0.000 -4.097 0.000) 4.097 2.892 ( 0.000 4.097 0.000) 4.097 3.133 ( 0.000 -4.249 0.000) 4.249 3.133 ( 0.000 4.249 0.000) 4.249 3.558 ( 0.000 -11.741 0.000) 11.741 3.558 ( 0.000 11.741 0.000) 11.741 4.103 ( 0.000 -8.648 0.000) 8.648 4.103 ( 0.000 8.648 0.000) 8.648 4.215 ( 0.000 -0.979 0.000) 0.979 4.215 ( 0.000 0.979 0.000) 0.979 4.484 ( 0.000 -8.688 0.000) 8.688 4.484 ( 0.000 8.688 0.000) 8.688 5.092 ( 0.000 -11.848 0.000) 11.848 5.092 ( 0.000 11.848 0.000) 11.848 5.417 ( 0.000 -6.949 0.000) 6.949 5.417 ( 0.000 6.949 0.000) 6.949 5.643 ( 0.000 -11.245 0.000) 11.245 5.643 ( 0.000 11.245 0.000) 11.245 6.018 ( 0.000 -0.996 0.000) 0.996 6.018 ( 0.000 0.996 0.000) 0.996 6.369 ( 0.000 -8.542 0.000) 8.542 6.369 ( 0.000 8.542 0.000) 8.542 6.591 ( 0.000 -8.853 0.000) 8.853 6.591 ( 0.000 8.853 0.000) 8.853 7.131 ( 0.000 -9.252 0.000) 9.252 7.131 ( 0.000 9.252 0.000) 9.252 8.708 ( 0.000 -9.353 0.000) 9.353 8.708 ( 0.000 9.353 0.000) 9.353 9.110 ( 0.000 -10.016 0.000) 10.016 9.110 ( 0.000 10.016 0.000) 10.016 9.682 ( 0.000 -19.466 0.000) 19.466 9.682 ( 0.000 19.466 0.000) 19.466 10.551 ( 0.000 -7.706 0.000) 7.706 10.551 ( 0.000 7.706 0.000) 7.706 11.161 ( 0.000 -5.102 0.000) 5.102 11.161 ( 0.000 5.102 0.000) 5.102 11.436 ( 0.000 -7.311 0.000) 7.311 11.436 ( 0.000 7.311 0.000) 7.311 13.772 ( 0.000 -0.981 0.000) 0.981 13.772 ( 0.000 0.981 0.000) 0.981 15.216 ( 0.000 -9.984 0.000) 9.984 15.216 ( 0.000 9.984 0.000) 9.984 15.322 ( 0.000 -11.776 0.000) 11.776 15.322 ( 0.000 11.776 0.000) 11.776 15.501 ( 0.000 -14.663 0.000) 14.663 15.501 ( 0.000 14.663 0.000) 14.663 20.440 ( 0.000 -0.599 0.000) 0.599 20.440 ( 0.000 0.599 0.000) 0.599 22.218 ( 0.000 -7.580 0.000) 7.580 22.218 ( 0.000 7.580 0.000) 7.580 ======================= Grid point 46 (26/160) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -5.800 -3.255 -12.056) 13.769 1.594 ( -5.800 3.255 -12.056) 13.769 1.894 ( -0.173 -10.502 3.781) 11.163 1.894 ( -0.173 10.502 3.781) 11.163 2.058 ( -1.015 -6.589 2.173) 7.012 2.058 ( -1.015 6.589 2.173) 7.012 2.279 ( 2.788 -4.090 3.410) 6.010 2.279 ( 2.788 4.090 3.410) 6.010 2.434 ( 1.955 -8.950 -11.631) 14.806 2.434 ( 1.955 8.950 -11.631) 14.806 2.841 ( -7.658 -4.412 -1.213) 8.921 2.841 ( -7.658 4.412 -1.213) 8.921 3.233 ( -3.340 -3.400 20.808) 21.347 3.233 ( -3.340 3.400 20.808) 21.347 3.592 ( 2.754 -10.883 1.358) 11.308 3.592 ( 2.754 10.883 1.358) 11.308 4.106 ( -2.110 -11.024 3.730) 11.827 4.106 ( -2.110 11.024 3.730) 11.828 4.199 ( 0.328 -9.993 -1.917) 10.180 4.199 ( 0.328 9.993 -1.917) 10.180 4.491 ( 1.244 -10.082 -0.834) 10.192 4.491 ( 1.244 10.082 -0.834) 10.192 4.978 ( -13.449 -6.737 0.281) 15.045 4.978 ( -13.449 6.737 0.281) 15.045 5.373 ( -1.474 -9.562 -7.543) 12.267 5.373 ( -1.474 9.562 -7.543) 12.267 5.595 ( -1.796 -2.422 0.140) 3.018 5.595 ( -1.796 2.422 0.140) 3.018 5.997 ( -3.458 -5.787 0.853) 6.795 5.997 ( -3.458 5.787 0.853) 6.795 6.391 ( 0.623 -5.080 2.325) 5.621 6.391 ( 0.623 5.080 2.325) 5.621 6.684 ( 5.631 -10.483 3.663) 12.451 6.684 ( 5.631 10.483 3.663) 12.451 7.147 ( 1.236 -8.021 3.117) 8.694 7.147 ( 1.236 8.021 3.117) 8.694 8.789 ( 9.022 -9.326 -0.127) 12.976 8.789 ( 9.022 9.326 -0.127) 12.976 9.111 ( -0.424 -7.591 1.266) 7.707 9.111 ( -0.424 7.591 1.266) 7.707 9.683 ( -0.910 -17.809 0.958) 17.858 9.683 ( -0.910 17.809 0.958) 17.858 10.418 ( -11.668 -5.916 -4.051) 13.695 10.418 ( -11.668 5.916 -4.051) 13.695 11.241 ( 9.648 -7.562 -0.880) 12.290 11.241 ( 9.648 7.562 -0.880) 12.290 11.507 ( 8.521 -7.585 -1.515) 11.508 11.507 ( 8.521 7.585 -1.515) 11.508 13.913 ( 9.860 -0.765 9.406) 13.648 13.913 ( 9.860 0.765 9.406) 13.648 15.037 ( -18.052 -15.538 -0.206) 23.819 15.037 ( -18.052 15.538 -0.206) 23.819 15.200 ( -14.800 -16.091 -0.482) 21.868 15.200 ( -14.800 16.091 -0.482) 21.868 15.550 ( 6.055 -13.593 -3.206) 15.222 15.550 ( 6.055 13.593 -3.206) 15.222 20.416 ( -2.909 -1.462 -0.109) 3.257 20.416 ( -2.909 1.462 -0.109) 3.257 22.228 ( 3.933 -6.795 -4.057) 8.837 22.228 ( 3.933 6.795 -4.057) 8.837 ======================= Grid point 48 (27/160) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 0.657 -3.757 -6.545) 7.575 1.423 ( 0.657 3.757 -6.545) 7.575 1.924 ( -0.255 -10.684 3.114) 11.131 1.924 ( -0.255 10.684 3.114) 11.131 2.090 ( 0.715 -6.698 2.310) 7.121 2.090 ( 0.715 6.698 2.310) 7.121 2.275 ( 1.199 -6.223 -7.419) 9.758 2.275 ( 1.199 6.223 -7.419) 9.758 2.408 ( 1.130 -3.891 1.536) 4.333 2.408 ( 1.130 3.891 1.536) 4.333 2.617 ( -14.163 -5.559 -4.076) 15.752 2.617 ( -14.163 5.559 -4.076) 15.752 3.386 ( -3.893 -1.540 11.688) 12.415 3.386 ( -3.893 1.540 11.688) 12.415 3.691 ( -1.159 -3.958 13.207) 13.836 3.691 ( -1.159 3.958 13.207) 13.836 4.055 ( -11.742 -5.458 -0.561) 12.961 4.055 ( -11.742 5.458 -0.561) 12.961 4.206 ( -3.941 -16.964 10.669) 20.424 4.206 ( -3.941 16.964 10.669) 20.424 4.525 ( 6.018 -5.876 -1.603) 8.562 4.525 ( 6.018 5.876 -1.603) 8.562 4.765 ( -8.456 -11.103 -1.668) 14.055 4.765 ( -8.456 11.103 -1.668) 14.055 5.202 ( -5.133 -7.471 -7.426) 11.718 5.202 ( -5.133 7.471 -7.426) 11.718 5.625 ( 5.616 -3.027 -4.005) 7.533 5.625 ( 5.616 3.027 -4.005) 7.533 5.946 ( -5.663 -4.982 4.332) 8.698 5.946 ( -5.663 4.982 4.332) 8.698 6.413 ( -1.609 -0.964 2.217) 2.904 6.413 ( -1.609 0.964 2.217) 2.904 6.765 ( 0.481 -10.616 0.931) 10.667 6.765 ( 0.481 10.616 0.931) 10.667 7.283 ( 6.607 -5.039 8.209) 11.680 7.283 ( 6.607 5.039 8.209) 11.680 8.954 ( 10.205 -7.440 -0.657) 12.646 8.954 ( 10.205 7.440 -0.657) 12.646 9.135 ( 2.794 -2.855 -0.503) 4.026 9.135 ( 2.794 2.855 -0.503) 4.026 9.665 ( -3.244 -16.446 1.543) 16.833 9.665 ( -3.244 16.446 1.543) 16.833 10.144 ( -12.708 -2.092 -6.276) 14.327 10.144 ( -12.708 2.092 -6.276) 14.327 11.423 ( 12.769 -5.843 -0.759) 14.063 11.423 ( 12.769 5.843 -0.759) 14.063 11.640 ( 10.398 -5.877 -3.345) 12.404 11.640 ( 10.398 5.877 -3.345) 12.404 14.259 ( 13.227 -0.579 13.896) 19.193 14.259 ( 13.227 0.579 13.896) 19.193 14.688 ( -22.806 -13.406 -0.108) 26.454 14.688 ( -22.806 13.406 -0.108) 26.454 14.885 ( -22.086 -13.107 1.904) 25.753 14.885 ( -22.086 13.107 1.904) 25.753 15.589 ( 6.065 -11.600 -7.264) 14.971 15.589 ( 6.065 11.600 -7.264) 14.971 20.344 ( -5.869 -1.649 0.397) 6.109 20.344 ( -5.869 1.649 0.397) 6.109 22.244 ( 5.362 -4.930 -6.770) 9.944 22.244 ( 5.362 4.930 -6.770) 9.944 ======================= Grid point 50 (28/160) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 10.907 -5.064 2.652) 12.314 1.502 ( 10.907 5.064 2.652) 12.314 1.966 ( 0.924 -6.934 2.447) 7.411 1.966 ( 0.924 6.934 2.447) 7.411 2.117 ( 0.760 -4.294 0.014) 4.360 2.117 ( 0.760 4.294 0.014) 4.360 2.220 ( -1.990 -0.766 -0.198) 2.141 2.220 ( -1.990 0.766 -0.198) 2.141 2.370 ( -4.972 -6.453 -6.275) 10.284 2.370 ( -4.972 6.453 -6.275) 10.284 2.441 ( -1.487 -3.098 2.307) 4.139 2.441 ( -1.487 3.098 2.307) 4.139 3.386 ( -7.719 -2.759 5.646) 9.954 3.386 ( -7.719 2.759 5.646) 9.954 3.679 ( -19.562 -13.725 3.529) 24.156 3.679 ( -19.562 13.725 3.529) 24.156 3.837 ( -7.027 -8.379 0.194) 10.938 3.837 ( -7.027 8.380 0.194) 10.938 4.218 ( -14.682 -16.549 19.846) 29.720 4.218 ( -14.682 16.549 19.846) 29.720 4.643 ( 9.905 -2.848 -3.632) 10.927 4.643 ( 9.905 2.848 -3.632) 10.927 4.775 ( 9.362 -4.923 2.458) 10.859 4.775 ( 9.362 4.923 2.458) 10.859 5.092 ( -2.610 -7.717 0.003) 8.146 5.092 ( -2.610 7.717 0.003) 8.146 5.659 ( 5.212 -2.488 -5.603) 8.047 5.659 ( 5.212 2.488 -5.603) 8.047 5.907 ( -4.346 -1.453 2.103) 5.041 5.907 ( -4.346 1.453 2.103) 5.041 6.383 ( -3.661 -5.376 -0.068) 6.505 6.383 ( -3.661 5.376 -0.068) 6.505 6.764 ( -1.225 -7.903 2.548) 8.393 6.764 ( -1.225 7.903 2.548) 8.393 7.478 ( 3.788 -1.529 7.774) 8.782 7.478 ( 3.788 1.529 7.774) 8.782 9.061 ( 4.849 -3.216 -3.618) 6.851 9.061 ( 4.849 3.216 -3.618) 6.851 9.187 ( 7.234 -6.373 -4.772) 10.757 9.187 ( 7.234 6.373 -4.772) 10.757 9.613 ( -5.147 -15.616 1.941) 16.556 9.613 ( -5.147 15.616 1.941) 16.556 9.917 ( -7.407 -5.870 -2.904) 9.887 9.917 ( -7.407 5.870 -2.904) 9.887 11.610 ( 10.414 -2.739 -0.803) 10.798 11.610 ( 10.414 2.739 -0.803) 10.798 11.757 ( 8.862 -3.185 -3.817) 10.161 11.757 ( 8.862 3.185 -3.817) 10.161 14.284 ( -19.747 -7.064 -0.243) 20.974 14.284 ( -19.747 7.064 -0.243) 20.974 14.437 ( -15.907 -6.276 0.790) 17.119 14.437 ( -15.907 6.276 0.790) 17.119 14.799 ( 6.238 -3.409 17.981) 19.336 14.799 ( 6.238 3.409 17.981) 19.335 15.582 ( 5.685 -8.100 -10.695) 14.571 15.582 ( 5.685 8.100 -10.695) 14.571 20.247 ( -6.746 -0.948 1.292) 6.934 20.247 ( -6.746 0.948 1.292) 6.934 22.242 ( 4.197 -2.876 -7.143) 8.770 22.242 ( 4.197 2.876 -7.143) 8.770 ======================= Grid point 52 (29/160) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 11.947 -5.706 3.798) 13.774 1.756 ( 11.947 5.706 3.798) 13.774 2.003 ( 2.484 -3.007 2.277) 4.516 2.003 ( 2.484 3.007 2.277) 4.516 2.133 ( 2.170 -1.845 -0.878) 2.981 2.133 ( 2.170 1.845 -0.878) 2.981 2.224 ( -1.126 -7.084 4.317) 8.371 2.224 ( -1.126 7.084 4.317) 8.371 2.300 ( 2.068 -7.461 -4.442) 8.926 2.300 ( 2.068 7.461 -4.442) 8.926 2.415 ( -3.090 -2.697 -0.603) 4.145 2.415 ( -3.090 2.697 -0.603) 4.145 3.249 ( -15.688 -6.423 5.558) 17.840 3.249 ( -15.688 6.423 5.558) 17.840 3.345 ( -17.355 -12.600 -2.458) 21.587 3.345 ( -17.355 12.600 -2.458) 21.587 3.752 ( -0.926 -4.429 -2.492) 5.165 3.752 ( -0.926 4.429 -2.492) 5.165 4.291 ( -2.479 -4.272 15.968) 16.715 4.291 ( -2.479 4.272 15.968) 16.715 4.727 ( 2.377 -5.472 0.754) 6.013 4.727 ( 2.377 5.472 0.754) 6.013 4.890 ( 2.316 -2.581 -4.482) 5.667 4.890 ( 2.316 2.581 -4.482) 5.667 5.205 ( 8.500 -9.507 10.164) 16.307 5.205 ( 8.500 9.507 10.164) 16.307 5.637 ( -1.537 -7.874 -4.204) 9.058 5.637 ( -1.537 7.874 -4.204) 9.058 5.853 ( -0.642 -0.581 -3.533) 3.638 5.853 ( -0.642 0.581 -3.533) 3.638 6.296 ( -5.208 -5.324 -1.463) 7.590 6.296 ( -5.208 5.324 -1.463) 7.590 6.825 ( 2.402 -3.500 6.025) 7.370 6.825 ( 2.402 3.500 6.025) 7.370 7.543 ( -2.718 -1.189 2.054) 3.609 7.543 ( -2.718 1.189 2.054) 3.609 9.053 ( 4.126 -7.254 -7.922) 11.507 9.053 ( 4.126 7.254 -7.922) 11.507 9.242 ( 3.412 -8.330 -1.759) 9.172 9.242 ( 3.412 8.330 -1.759) 9.172 9.565 ( -2.710 -11.224 1.391) 11.630 9.565 ( -2.710 11.224 1.391) 11.630 9.831 ( -2.877 -9.646 1.064) 10.122 9.831 ( -2.877 9.646 1.064) 10.122 11.730 ( 5.177 -0.294 -0.590) 5.219 11.730 ( 5.177 0.294 -0.590) 5.219 11.836 ( 5.240 -1.302 -2.573) 5.981 11.836 ( 5.240 1.302 -2.573) 5.981 14.008 ( -12.254 -3.824 -0.102) 12.837 14.008 ( -12.254 3.824 -0.102) 12.837 14.190 ( -11.665 -4.149 0.033) 12.381 14.190 ( -11.665 4.149 0.033) 12.381 15.139 ( 6.252 -2.055 17.875) 19.048 15.139 ( 6.252 2.055 17.875) 19.048 15.525 ( 3.949 -3.963 -13.238) 14.372 15.525 ( 3.949 3.963 -13.238) 14.372 20.168 ( -4.407 -1.183 1.351) 4.758 20.168 ( -4.407 1.183 1.351) 4.758 22.222 ( 2.033 -1.316 -4.675) 5.265 22.222 ( 2.033 1.316 -4.675) 5.265 ======================= Grid point 54 (30/160) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 0.000 -3.406 -0.000) 3.406 1.876 ( -0.000 3.406 0.000) 3.406 2.108 ( -0.000 -2.325 -0.000) 2.325 2.108 ( 0.000 2.325 0.000) 2.325 2.126 ( 0.000 -0.570 0.000) 0.570 2.126 ( -0.000 0.570 -0.000) 0.570 2.258 ( 0.000 -1.397 0.000) 1.397 2.258 ( 0.000 1.397 -0.000) 1.397 2.280 ( -0.000 -8.295 0.000) 8.295 2.280 ( -0.000 8.295 -0.000) 8.295 2.368 ( 0.000 -5.518 0.000) 5.518 2.368 ( -0.000 5.518 0.000) 5.518 3.129 ( 0.000 -1.130 -0.000) 1.130 3.129 ( 0.000 1.130 0.000) 1.130 3.162 ( 0.000 -3.754 0.000) 3.754 3.162 ( 0.000 3.754 -0.000) 3.754 3.738 ( 0.000 -0.711 -0.000) 0.711 3.738 ( -0.000 0.711 0.000) 0.711 4.397 ( 0.000 -4.204 0.000) 4.204 4.397 ( 0.000 4.204 -0.000) 4.204 4.752 ( 0.000 -7.413 0.000) 7.413 4.752 ( 0.000 7.413 0.000) 7.413 4.854 ( -0.000 -4.872 0.000) 4.872 4.854 ( 0.000 4.872 -0.000) 4.872 5.384 ( -0.000 -5.718 -0.000) 5.718 5.384 ( 0.000 5.718 0.000) 5.718 5.572 ( 0.000 -6.316 0.000) 6.316 5.572 ( 0.000 6.316 0.000) 6.316 5.818 ( 0.000 -1.156 0.000) 1.156 5.818 ( 0.000 1.156 -0.000) 1.156 6.232 ( -0.000 -1.827 -0.000) 1.827 6.232 ( 0.000 1.827 0.000) 1.827 6.905 ( 0.000 -1.392 0.000) 1.392 6.905 ( -0.000 1.392 0.000) 1.392 7.506 ( 0.000 -0.955 0.000) 0.955 7.506 ( 0.000 0.955 0.000) 0.955 9.042 ( 0.000 -6.223 0.000) 6.223 9.042 ( -0.000 6.223 0.000) 6.223 9.257 ( -0.000 -7.539 0.000) 7.539 9.257 ( 0.000 7.539 0.000) 7.539 9.553 ( 0.000 -8.853 0.000) 8.853 9.553 ( -0.000 8.853 0.000) 8.853 9.818 ( -0.000 -10.615 0.000) 10.615 9.818 ( 0.000 10.615 -0.000) 10.615 11.767 ( 0.000 -1.689 0.000) 1.689 11.767 ( -0.000 1.689 0.000) 1.689 11.865 ( 0.000 -0.737 0.000) 0.737 11.865 ( 0.000 0.737 -0.000) 0.737 13.905 ( 0.000 -1.875 0.000) 1.875 13.905 ( 0.000 1.875 0.000) 1.875 14.092 ( 0.000 -2.651 0.000) 2.651 14.092 ( 0.000 2.651 0.000) 2.651 15.362 ( 0.000 -2.880 0.000) 2.880 15.362 ( 0.000 2.880 -0.000) 2.880 15.415 ( 0.000 -1.517 0.000) 1.517 15.415 ( 0.000 1.517 -0.000) 1.517 20.140 ( 0.000 -1.581 0.000) 1.581 20.140 ( 0.000 1.581 0.000) 1.581 22.210 ( 0.000 -0.649 -0.000) 0.649 22.210 ( 0.000 0.649 0.000) 0.649 ======================= Grid point 99 (31/160) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 5.501 0.000 19.860) 20.608 0.481 ( 0.241 0.000 23.915) 23.917 0.885 ( 4.543 0.000 4.745) 6.569 1.236 ( -7.378 0.000 50.431) 50.968 1.693 ( 2.637 0.000 7.393) 7.849 1.833 ( -0.453 0.000 -3.264) 3.295 2.197 ( 5.491 0.000 1.239) 5.629 2.270 ( -3.086 0.000 -0.391) 3.111 2.440 ( -9.000 0.000 -1.824) 9.183 2.646 ( 0.611 0.000 -1.483) 1.604 2.801 ( 0.080 0.000 8.399) 8.399 2.829 ( 0.742 0.000 -9.085) 9.115 2.932 ( -0.430 0.000 -4.847) 4.866 3.052 ( 1.285 0.000 -0.427) 1.354 3.135 ( 20.045 0.000 2.421) 20.190 3.274 ( -5.498 0.000 3.621) 6.584 3.395 ( -4.990 0.000 11.096) 12.167 3.533 ( -3.716 0.000 20.971) 21.298 3.645 ( -6.075 0.000 7.613) 9.740 3.705 ( -0.252 0.000 -4.187) 4.194 3.768 ( -2.780 0.000 -2.065) 3.463 4.249 ( -5.016 0.000 -12.976) 13.912 4.260 ( -3.978 0.000 4.875) 6.292 4.637 ( 1.372 0.000 5.497) 5.666 4.791 ( -1.980 0.000 1.650) 2.577 4.953 ( -2.464 0.000 -4.494) 5.125 5.185 ( 4.574 0.000 0.708) 4.629 5.331 ( -4.173 0.000 -0.591) 4.215 5.554 ( -0.685 0.000 -7.591) 7.622 5.853 ( 3.745 0.000 7.342) 8.242 6.114 ( -1.678 0.000 -6.506) 6.718 6.409 ( 17.929 0.000 0.923) 17.953 6.626 ( -6.364 0.000 -9.979) 11.836 6.892 ( -15.418 0.000 -6.715) 16.817 7.051 ( 7.503 0.000 9.648) 12.222 7.556 ( 2.517 0.000 -5.060) 5.651 8.374 ( -1.262 0.000 1.471) 1.938 8.757 ( 9.467 0.000 2.042) 9.685 8.965 ( 2.132 0.000 -13.519) 13.686 9.549 ( 0.700 0.000 14.173) 14.191 9.655 ( 0.402 0.000 -11.642) 11.649 10.261 ( 0.133 0.000 2.427) 2.431 10.366 ( -3.293 0.000 2.412) 4.082 10.662 ( -5.258 0.000 7.440) 9.110 10.769 ( -6.766 0.000 7.096) 9.805 11.088 ( 3.490 0.000 -1.220) 3.697 11.664 ( -0.298 0.000 -5.477) 5.485 11.839 ( 0.125 0.000 -7.180) 7.181 13.767 ( -0.278 0.000 1.555) 1.580 13.894 ( 0.832 0.000 12.547) 12.575 13.950 ( -0.707 0.000 3.422) 3.495 14.393 ( 7.228 0.000 -0.640) 7.256 14.484 ( -0.957 0.000 -1.637) 1.896 15.720 ( -0.065 0.000 -9.251) 9.251 15.890 ( -0.242 0.000 0.876) 0.909 16.009 ( 0.145 0.000 -1.225) 1.233 19.703 ( 0.506 0.000 1.963) 2.027 19.708 ( -2.481 0.000 1.559) 2.931 22.391 ( 0.279 0.000 -1.255) 1.285 22.709 ( -0.151 0.000 -6.305) 6.306 ======================= Grid point 100 (32/160) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 11.166 0.000 4.087) 11.890 0.804 ( 13.683 0.000 9.124) 16.447 1.222 ( 19.158 0.000 12.523) 22.888 1.775 ( 2.337 0.000 -11.235) 11.476 1.826 ( 10.193 0.000 35.704) 37.131 1.871 ( 6.658 0.000 13.161) 14.749 2.187 ( -4.468 0.000 -3.306) 5.558 2.310 ( -3.812 0.000 5.883) 7.010 2.370 ( 7.839 0.000 4.343) 8.962 2.570 ( -8.856 0.000 2.397) 9.174 2.768 ( 5.463 0.000 -8.994) 10.523 2.868 ( 0.379 0.000 -6.138) 6.150 2.995 ( 5.500 0.000 12.393) 13.559 3.057 ( -2.038 0.000 -2.542) 3.258 3.161 ( -9.383 0.000 3.332) 9.957 3.372 ( -2.892 0.000 5.895) 6.567 3.406 ( -16.316 0.000 -2.038) 16.442 3.564 ( 23.423 0.000 2.065) 23.514 3.609 ( -7.380 0.000 -8.731) 11.432 3.794 ( 3.118 0.000 10.819) 11.259 3.880 ( 5.042 0.000 30.448) 30.863 3.990 ( -5.168 0.000 -11.442) 12.555 4.310 ( 3.375 0.000 3.672) 4.987 4.723 ( 1.550 0.000 3.745) 4.054 4.799 ( -2.921 0.000 10.282) 10.689 4.915 ( 5.405 0.000 -4.337) 6.930 5.306 ( -2.844 0.000 -3.091) 4.200 5.459 ( 21.521 0.000 7.442) 22.772 5.477 ( 3.893 0.000 -11.384) 12.031 5.986 ( -5.657 0.000 -3.078) 6.440 6.101 ( 7.829 0.000 10.853) 13.382 6.439 ( -1.848 0.000 -3.428) 3.894 6.598 ( 7.017 0.000 -10.125) 12.319 6.698 ( 8.622 0.000 -16.446) 18.569 7.265 ( 6.324 0.000 6.695) 9.209 7.493 ( 1.459 0.000 -5.545) 5.733 8.342 ( -4.700 0.000 2.046) 5.126 8.775 ( -4.451 0.000 -0.196) 4.455 8.855 ( -4.159 0.000 -2.739) 4.980 9.411 ( -9.618 0.000 -18.434) 20.793 9.703 ( -1.153 0.000 12.833) 12.885 10.223 ( -4.125 0.000 -6.100) 7.364 10.330 ( -7.216 0.000 12.331) 14.287 10.622 ( -9.342 0.000 4.079) 10.194 10.991 ( 17.661 0.000 4.358) 18.191 11.217 ( 8.647 0.000 4.746) 9.864 11.623 ( 4.379 0.000 -8.712) 9.751 11.758 ( 2.868 0.000 -9.962) 10.366 13.852 ( 7.642 0.000 2.509) 8.043 13.976 ( 7.242 0.000 -1.807) 7.464 14.210 ( 7.554 0.000 20.531) 21.876 14.420 ( 0.607 0.000 4.219) 4.263 14.491 ( 4.036 0.000 0.551) 4.074 15.585 ( 0.957 0.000 -14.894) 14.925 15.865 ( -4.389 0.000 1.192) 4.548 15.968 ( -3.436 0.000 -1.461) 3.734 19.818 ( 11.783 0.000 -1.108) 11.835 19.831 ( 11.386 0.000 2.561) 11.670 22.374 ( -1.063 0.000 -0.859) 1.366 22.608 ( -1.777 0.000 -8.287) 8.475 ======================= Grid point 101 (33/160) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 15.685 0.000 1.123) 15.725 1.107 ( 14.615 0.000 4.039) 15.163 1.606 ( 7.775 0.000 15.082) 16.968 1.701 ( 4.725 0.000 -7.953) 9.251 2.053 ( 2.875 0.000 10.358) 10.749 2.080 ( -2.586 0.000 -5.988) 6.522 2.245 ( 3.495 0.000 3.995) 5.308 2.326 ( -7.429 0.000 0.797) 7.472 2.443 ( -2.997 0.000 9.537) 9.996 2.549 ( -1.618 0.000 7.785) 7.951 2.683 ( -21.838 0.000 -8.133) 23.304 2.762 ( 0.561 0.000 -6.224) 6.249 2.843 ( 1.044 0.000 -18.720) 18.749 2.949 ( -11.383 0.000 2.748) 11.710 3.310 ( 3.629 0.000 12.344) 12.867 3.349 ( 1.711 0.000 -5.982) 6.222 3.496 ( 8.964 0.000 10.281) 13.640 3.531 ( 16.820 0.000 12.707) 21.081 3.891 ( 2.114 0.000 0.742) 2.241 3.935 ( 25.723 0.000 -6.665) 26.572 4.055 ( 7.443 0.000 16.662) 18.248 4.307 ( 5.352 0.000 18.497) 19.255 4.462 ( 10.253 0.000 9.808) 14.189 4.760 ( 1.792 0.000 -2.766) 3.295 4.864 ( 3.789 0.000 -0.846) 3.883 5.005 ( 3.915 0.000 2.083) 4.435 5.123 ( -10.617 0.000 -7.477) 12.986 5.399 ( 2.519 0.000 -10.897) 11.185 5.879 ( -7.276 0.000 3.112) 7.913 5.945 ( 18.372 0.000 11.388) 21.615 6.070 ( -8.192 0.000 -1.245) 8.286 6.570 ( 7.339 0.000 -9.631) 12.109 6.624 ( 9.271 0.000 -26.581) 28.151 6.699 ( 14.829 0.000 12.990) 19.714 7.423 ( 7.065 0.000 4.176) 8.207 7.523 ( 7.684 0.000 -2.699) 8.144 8.294 ( -4.717 0.000 4.534) 6.542 8.670 ( -3.012 0.000 -6.587) 7.243 8.769 ( -9.282 0.000 7.286) 11.801 8.974 ( -12.324 0.000 -20.909) 24.271 9.799 ( -3.507 0.000 10.246) 10.829 10.041 ( -7.530 0.000 -7.698) 10.769 10.386 ( -5.749 0.000 13.506) 14.678 10.472 ( -10.693 0.000 -0.672) 10.714 11.339 ( 15.780 0.000 6.565) 17.091 11.435 ( 9.199 0.000 6.614) 11.330 11.578 ( 4.451 0.000 -10.916) 11.788 11.727 ( 6.655 0.000 -9.270) 11.411 14.066 ( 14.464 0.000 2.822) 14.737 14.124 ( 13.781 0.000 -2.295) 13.970 14.482 ( 10.234 0.000 0.838) 10.269 14.547 ( 7.746 0.000 5.167) 9.311 14.730 ( 8.814 0.000 20.739) 22.535 15.420 ( 2.368 0.000 -18.256) 18.409 15.773 ( -8.890 0.000 1.598) 9.032 15.859 ( -7.759 0.000 -1.722) 7.948 20.043 ( 16.681 0.000 -0.451) 16.687 20.103 ( 17.805 0.000 1.669) 17.883 22.334 ( -3.386 0.000 0.343) 3.403 22.466 ( -3.836 0.000 -8.169) 9.025 ======================= Grid point 102 (34/160) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 13.331 0.000 0.169) 13.332 1.380 ( 14.021 0.000 2.720) 14.283 1.758 ( 5.900 0.000 0.405) 5.914 1.777 ( -7.187 0.000 5.861) 9.274 1.955 ( -3.068 0.000 -7.438) 8.045 2.145 ( -6.159 0.000 -6.462) 8.927 2.157 ( -8.429 0.000 -1.599) 8.579 2.175 ( -2.848 0.000 6.840) 7.410 2.285 ( -8.139 0.000 -3.503) 8.861 2.471 ( -13.595 0.000 3.884) 14.139 2.557 ( -5.853 0.000 -13.705) 14.902 2.566 ( -1.904 0.000 10.385) 10.558 2.706 ( -0.767 0.000 -7.400) 7.440 2.899 ( -1.455 0.000 6.929) 7.080 3.373 ( 10.328 0.000 -6.117) 12.003 3.413 ( -1.886 0.000 5.608) 5.917 3.828 ( 11.347 0.000 12.312) 16.743 3.949 ( 6.792 0.000 4.240) 8.006 4.233 ( 30.137 0.000 13.749) 33.126 4.263 ( 27.825 0.000 -12.381) 30.456 4.418 ( 10.700 0.000 19.396) 22.151 4.442 ( 3.242 0.000 -0.469) 3.275 4.685 ( 5.959 0.000 -15.210) 16.336 4.827 ( -8.059 0.000 -11.159) 13.765 4.848 ( 8.696 0.000 15.835) 18.066 4.886 ( 0.684 0.000 -4.714) 4.763 5.054 ( 0.372 0.000 1.025) 1.091 5.333 ( -0.524 0.000 -2.334) 2.393 5.829 ( -6.986 0.000 8.343) 10.882 5.874 ( -8.165 0.000 -1.445) 8.292 6.293 ( 1.349 0.000 10.735) 10.820 6.386 ( -0.595 0.000 -26.370) 26.376 6.615 ( 9.396 0.000 -7.616) 12.095 6.946 ( 2.046 0.000 5.555) 5.920 7.605 ( 7.389 0.000 1.687) 7.579 7.653 ( 10.295 0.000 -1.667) 10.429 8.341 ( 1.625 0.000 9.935) 10.067 8.542 ( -2.420 0.000 -7.175) 7.572 8.682 ( 2.389 0.000 -10.511) 10.779 8.732 ( -6.663 0.000 9.128) 11.302 9.810 ( -8.353 0.000 -9.018) 12.292 9.822 ( -6.184 0.000 7.321) 9.583 10.286 ( -8.396 0.000 -3.110) 8.954 10.405 ( -8.713 0.000 8.982) 12.514 11.556 ( 6.833 0.000 -8.034) 10.547 11.596 ( 5.685 0.000 6.524) 8.653 11.673 ( 10.726 0.000 5.652) 12.124 11.744 ( 6.200 0.000 -6.390) 8.903 14.366 ( 18.708 0.000 -2.270) 18.845 14.376 ( 19.184 0.000 2.690) 19.372 14.662 ( 13.961 0.000 -3.594) 14.416 14.769 ( 11.941 0.000 4.585) 12.791 15.083 ( 3.693 0.000 19.054) 19.409 15.250 ( 2.625 0.000 -18.181) 18.370 15.611 ( -13.480 0.000 2.127) 13.647 15.673 ( -12.447 0.000 -2.073) 12.619 20.333 ( 17.723 0.000 0.690) 17.737 20.414 ( 18.419 0.000 -0.429) 18.424 22.275 ( -5.764 0.000 2.769) 6.394 22.308 ( -5.318 0.000 -5.414) 7.589 ======================= Grid point 103 (35/160) ======================= q-point: ( 0.40 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 2.174 0.000 -1.664) 2.738 1.532 ( -10.655 0.000 -2.495) 10.943 1.609 ( 10.500 0.000 0.509) 10.512 1.809 ( -4.459 0.000 -4.224) 6.142 1.859 ( 2.266 0.000 3.793) 4.418 2.055 ( -3.756 0.000 -0.420) 3.779 2.067 ( 1.612 0.000 -5.309) 5.548 2.182 ( -1.235 0.000 2.447) 2.741 2.270 ( -8.552 0.000 -2.302) 8.856 2.270 ( 0.232 0.000 4.518) 4.524 2.426 ( 1.060 0.000 -1.889) 2.166 2.611 ( -5.687 0.000 6.849) 8.902 2.613 ( -3.059 0.000 -1.214) 3.291 2.961 ( -3.697 0.000 7.049) 7.960 3.417 ( -2.108 0.000 2.785) 3.493 3.508 ( 11.310 0.000 -2.884) 11.672 4.059 ( 1.790 0.000 1.717) 2.480 4.067 ( 3.428 0.000 5.496) 6.477 4.350 ( 0.975 0.000 -13.247) 13.283 4.547 ( -0.293 0.000 -6.600) 6.607 4.572 ( -1.454 0.000 -25.066) 25.109 4.589 ( 22.093 0.000 -8.526) 23.681 4.674 ( 14.806 0.000 -14.014) 20.387 4.739 ( 11.818 0.000 11.692) 16.624 5.068 ( 4.166 0.000 1.684) 4.493 5.072 ( 8.467 0.000 13.691) 16.098 5.096 ( 5.385 0.000 3.077) 6.202 5.339 ( -2.615 0.000 8.632) 9.020 5.764 ( -4.659 0.000 -0.324) 4.670 5.864 ( 0.248 0.000 10.310) 10.313 6.018 ( -10.865 0.000 -18.137) 21.142 6.258 ( -12.352 0.000 3.689) 12.891 6.684 ( 7.860 0.000 -5.322) 9.492 6.975 ( -1.149 0.000 0.403) 1.218 7.661 ( 1.053 0.000 0.706) 1.268 7.787 ( 7.137 0.000 -1.217) 7.240 8.447 ( 0.603 0.000 -5.751) 5.782 8.501 ( 1.034 0.000 6.538) 6.619 8.752 ( -4.164 0.000 8.475) 9.443 8.782 ( 10.301 0.000 2.721) 10.654 9.617 ( -3.199 0.000 -4.066) 5.173 9.772 ( -7.110 0.000 4.238) 8.277 10.158 ( -2.843 0.000 -2.491) 3.780 10.309 ( -9.402 0.000 1.203) 9.479 11.609 ( 6.771 0.000 -3.140) 7.463 11.702 ( 0.820 0.000 2.937) 3.049 11.786 ( 4.746 0.000 -1.581) 5.003 11.858 ( 3.961 0.000 4.724) 6.165 14.669 ( 20.847 0.000 -1.864) 20.930 14.735 ( 20.570 0.000 2.121) 20.679 14.823 ( 12.141 0.000 -7.155) 14.093 15.004 ( 9.465 0.000 -1.853) 9.644 15.107 ( 3.948 0.000 -9.059) 9.882 15.243 ( -6.129 0.000 10.783) 12.403 15.390 ( -16.637 0.000 3.432) 16.987 15.410 ( -16.025 0.000 -2.459) 16.213 20.592 ( 11.796 0.000 0.174) 11.797 20.663 ( 12.981 0.000 -2.227) 13.170 22.198 ( -3.222 0.000 0.193) 3.228 22.221 ( -6.301 0.000 5.576) 8.414 ======================= Grid point 104 (36/160) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -0.422 0.000 1.131) 1.207 1.508 ( 2.368 0.000 -4.030) 4.674 1.596 ( -4.038 0.000 -9.180) 10.029 1.823 ( 4.072 0.000 5.900) 7.169 1.966 ( 0.158 0.000 3.511) 3.514 1.996 ( -1.412 0.000 4.969) 5.166 2.048 ( 0.459 0.000 -2.047) 2.098 2.181 ( 4.206 0.000 -8.152) 9.173 2.200 ( -0.335 0.000 -0.515) 0.614 2.309 ( -1.100 0.000 7.213) 7.297 2.495 ( 6.260 0.000 1.705) 6.488 2.543 ( -8.142 0.000 2.193) 8.433 2.660 ( 5.521 0.000 7.969) 9.695 2.906 ( -7.591 0.000 0.814) 7.634 3.428 ( -2.299 0.000 4.020) 4.631 3.635 ( 5.373 0.000 -0.725) 5.421 3.970 ( -9.435 0.000 -11.063) 14.540 3.992 ( -5.466 0.000 -13.447) 14.515 4.233 ( 0.784 0.000 -22.864) 22.877 4.257 ( 2.465 0.000 -12.228) 12.474 4.547 ( 8.399 0.000 -3.220) 8.995 4.676 ( 5.370 0.000 -6.260) 8.248 4.883 ( 14.630 0.000 -3.320) 15.002 4.983 ( -6.483 0.000 5.591) 8.561 5.031 ( -7.544 0.000 -0.504) 7.561 5.045 ( -4.971 0.000 -1.664) 5.242 5.187 ( -4.520 0.000 1.930) 4.915 5.445 ( 0.756 0.000 10.147) 10.175 5.698 ( -2.304 0.000 0.045) 2.304 5.699 ( -7.104 0.000 -2.762) 7.622 6.102 ( -5.769 0.000 -1.447) 5.948 6.202 ( 21.148 0.000 9.880) 23.342 6.744 ( 5.004 0.000 -2.407) 5.553 6.932 ( -2.236 0.000 -3.170) 3.879 7.709 ( 1.315 0.000 3.213) 3.471 7.832 ( -0.070 0.000 -1.550) 1.552 8.431 ( -9.719 0.000 -4.632) 10.766 8.447 ( 6.045 0.000 -3.218) 6.849 8.761 ( -6.434 0.000 7.564) 9.931 8.951 ( 2.344 0.000 8.055) 8.389 9.668 ( 6.525 0.000 5.318) 8.418 9.723 ( -3.749 0.000 2.992) 4.797 10.134 ( 2.421 0.000 -1.310) 2.753 10.163 ( -4.709 0.000 -5.150) 6.978 11.679 ( 3.825 0.000 -0.076) 3.825 11.692 ( -3.629 0.000 -0.416) 3.653 11.867 ( 3.600 0.000 3.437) 4.977 11.902 ( -3.847 0.000 2.852) 4.789 14.851 ( 3.968 0.000 -10.875) 11.577 14.861 ( -4.743 0.000 -10.850) 11.842 14.981 ( 13.684 0.000 -1.298) 13.745 15.038 ( -7.349 0.000 -2.581) 7.790 15.091 ( -12.500 0.000 1.745) 12.621 15.142 ( 9.418 0.000 0.951) 9.466 15.220 ( -13.779 0.000 6.037) 15.044 15.325 ( 11.290 0.000 4.247) 12.062 20.680 ( -0.819 0.000 -1.093) 1.366 20.756 ( 1.301 0.000 -2.900) 3.178 22.212 ( -3.246 0.000 6.689) 7.435 22.235 ( 3.279 0.000 6.084) 6.911 ======================= Grid point 105 (37/160) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -3.319 0.000 -9.545) 10.106 1.397 ( -8.156 0.000 -7.593) 11.144 1.449 ( -3.154 0.000 -6.415) 7.148 1.933 ( -4.801 0.000 8.793) 10.018 1.954 ( 6.484 0.000 -3.190) 7.226 2.022 ( -2.208 0.000 -2.093) 3.042 2.118 ( 6.477 0.000 1.458) 6.639 2.202 ( 5.717 0.000 -3.952) 6.950 2.216 ( 6.865 0.000 5.387) 8.726 2.444 ( -4.934 0.000 2.007) 5.327 2.444 ( 2.449 0.000 9.570) 9.879 2.648 ( 8.576 0.000 3.027) 9.095 2.791 ( -4.139 0.000 -1.665) 4.461 2.950 ( 13.942 0.000 12.539) 18.751 3.388 ( -6.826 0.000 0.392) 6.837 3.512 ( -1.184 0.000 -28.966) 28.990 3.667 ( -7.321 0.000 -22.333) 23.502 3.738 ( -10.727 0.000 9.205) 14.135 4.035 ( -8.555 0.000 -16.559) 18.639 4.057 ( -2.128 0.000 -9.790) 10.019 4.431 ( -34.736 0.000 -8.339) 35.723 4.703 ( 2.994 0.000 -1.735) 3.460 4.714 ( 12.926 0.000 -3.864) 13.491 4.905 ( -10.797 0.000 0.987) 10.842 4.915 ( -14.996 0.000 5.556) 15.992 5.094 ( -1.097 0.000 5.040) 5.158 5.132 ( -7.688 0.000 2.238) 8.007 5.560 ( 5.863 0.000 3.364) 6.760 5.664 ( 0.946 0.000 2.302) 2.489 5.774 ( 6.809 0.000 5.557) 8.789 6.033 ( 0.837 0.000 -6.711) 6.763 6.644 ( 21.256 0.000 3.294) 21.510 6.791 ( 2.625 0.000 0.017) 2.625 6.821 ( -4.400 0.000 -7.037) 8.299 7.702 ( -6.802 0.000 -0.735) 6.841 7.759 ( -5.520 0.000 -1.839) 5.819 8.214 ( -6.438 0.000 -3.822) 7.487 8.566 ( 10.294 0.000 0.034) 10.295 8.729 ( -8.026 0.000 8.420) 11.632 9.091 ( 1.278 0.000 14.502) 14.558 9.690 ( -3.894 0.000 0.440) 3.919 9.835 ( 6.189 0.000 0.438) 6.204 10.071 ( 2.461 0.000 -5.160) 5.717 10.208 ( 7.339 0.000 -0.042) 7.339 11.582 ( -7.394 0.000 -2.451) 7.789 11.737 ( 1.870 0.000 2.246) 2.922 11.807 ( -10.402 0.000 1.499) 10.509 11.962 ( 0.907 0.000 5.696) 5.767 14.593 ( -15.644 0.000 -5.911) 16.724 14.687 ( -6.727 0.000 -12.842) 14.497 14.750 ( -13.229 0.000 -6.558) 14.765 14.757 ( -20.481 0.000 1.546) 20.539 15.022 ( -15.877 0.000 3.312) 16.218 15.310 ( 17.702 0.000 -0.794) 17.720 15.427 ( 15.132 0.000 2.070) 15.273 15.562 ( 10.821 0.000 4.193) 11.605 20.566 ( -10.917 0.000 -0.036) 10.917 20.635 ( -11.552 0.000 -2.796) 11.886 22.265 ( 0.767 0.000 5.271) 5.326 22.411 ( 6.991 0.000 7.738) 10.428 ======================= Grid point 106 (38/160) ======================= q-point: (-0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -13.031 0.000 -28.415) 31.260 1.149 ( -12.268 0.000 -7.012) 14.130 1.315 ( -8.740 0.000 0.851) 8.782 1.905 ( -6.034 0.000 -4.867) 7.752 1.978 ( 0.432 0.000 9.236) 9.246 2.030 ( 8.659 0.000 -8.999) 12.489 2.195 ( 0.010 0.000 2.358) 2.358 2.243 ( 3.221 0.000 0.009) 3.222 2.471 ( 2.009 0.000 4.588) 5.009 2.479 ( -11.312 0.000 0.743) 11.337 2.554 ( 17.216 0.000 10.241) 20.032 2.762 ( 2.342 0.000 -1.018) 2.554 2.805 ( 5.041 0.000 1.758) 5.339 3.200 ( -6.386 0.000 -12.639) 14.160 3.209 ( 0.581 0.000 -14.254) 14.266 3.312 ( -9.502 0.000 -12.970) 16.078 3.342 ( 14.154 0.000 8.007) 16.262 3.575 ( -19.736 0.000 4.831) 20.319 3.672 ( -13.453 0.000 -11.766) 17.873 3.843 ( -19.488 0.000 -5.859) 20.349 4.008 ( 0.827 0.000 4.400) 4.477 4.578 ( -30.241 0.000 4.356) 30.553 4.704 ( -4.406 0.000 2.069) 4.868 4.722 ( -10.148 0.000 -1.517) 10.260 4.833 ( 8.875 0.000 -8.233) 12.106 4.917 ( -14.733 0.000 -3.165) 15.069 5.203 ( 3.573 0.000 7.523) 8.328 5.685 ( 2.661 0.000 -1.092) 2.877 5.745 ( 5.315 0.000 2.052) 5.697 5.913 ( -2.995 0.000 -5.165) 5.970 5.960 ( 4.923 0.000 3.595) 6.096 6.642 ( -7.113 0.000 -5.870) 9.222 6.800 ( -1.731 0.000 2.104) 2.725 6.965 ( 16.103 0.000 -3.461) 16.471 7.472 ( -15.050 0.000 -4.324) 15.659 7.643 ( -6.212 0.000 -0.462) 6.229 8.174 ( 2.515 0.000 0.250) 2.527 8.696 ( -6.758 0.000 8.525) 10.878 8.773 ( 10.925 0.000 3.228) 11.392 9.373 ( 9.663 0.000 18.395) 20.778 9.591 ( -5.789 0.000 -3.708) 6.875 9.832 ( 5.103 0.000 -12.625) 13.618 10.146 ( 5.903 0.000 2.211) 6.304 10.349 ( 8.449 0.000 0.997) 8.507 11.412 ( -9.269 0.000 -2.610) 9.629 11.621 ( -13.948 0.000 2.057) 14.099 11.789 ( 0.570 0.000 2.873) 2.929 12.009 ( -2.803 0.000 4.750) 5.515 14.257 ( -17.858 0.000 -3.051) 18.117 14.370 ( -14.236 0.000 -10.617) 17.759 14.448 ( -18.847 0.000 1.547) 18.910 14.461 ( -12.322 0.000 -7.880) 14.627 14.806 ( -13.702 0.000 2.221) 13.881 15.562 ( 13.584 0.000 -0.195) 13.585 15.651 ( 8.975 0.000 2.384) 9.286 15.764 ( 9.235 0.000 2.113) 9.474 20.350 ( -18.550 0.000 -2.165) 18.676 20.363 ( -14.324 0.000 1.984) 14.461 22.336 ( 1.988 0.000 2.546) 3.230 22.600 ( 6.035 0.000 5.542) 8.194 ======================= Grid point 107 (39/160) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( -16.004 0.000 -20.182) 25.757 0.821 ( -18.480 0.000 -6.742) 19.671 1.185 ( -11.941 0.000 5.977) 13.353 1.743 ( -6.922 0.000 -3.970) 7.979 1.952 ( -46.176 0.000 -3.597) 46.316 1.994 ( -3.122 0.000 -1.546) 3.484 2.178 ( 5.585 0.000 -0.420) 5.601 2.218 ( 6.802 0.000 6.039) 9.096 2.299 ( 4.151 0.000 -2.817) 5.017 2.541 ( -1.668 0.000 6.388) 6.602 2.802 ( 1.986 0.000 -2.532) 3.218 2.821 ( 6.692 0.000 -3.388) 7.501 2.910 ( 8.490 0.000 3.047) 9.020 3.000 ( -4.053 0.000 -6.100) 7.324 3.083 ( -0.841 0.000 -6.081) 6.139 3.158 ( 0.092 0.000 -2.221) 2.223 3.321 ( -12.893 0.000 3.825) 13.448 3.400 ( -9.299 0.000 -1.289) 9.388 3.584 ( 7.095 0.000 0.208) 7.098 3.712 ( 4.355 0.000 1.245) 4.530 4.095 ( -31.646 0.000 1.872) 31.702 4.189 ( 7.542 0.000 10.597) 13.007 4.516 ( -15.463 0.000 4.448) 16.090 4.640 ( -14.633 0.000 1.348) 14.695 4.648 ( -2.127 0.000 -3.426) 4.033 4.850 ( 6.845 0.000 -9.204) 11.471 5.327 ( 1.353 0.000 4.461) 4.661 5.525 ( -11.503 0.000 -7.136) 13.536 5.825 ( -6.664 0.000 1.749) 6.890 5.894 ( 10.524 0.000 2.268) 10.766 5.996 ( -4.711 0.000 -3.855) 6.087 6.554 ( 1.622 0.000 3.712) 4.051 6.744 ( -4.997 0.000 -3.632) 6.178 7.105 ( 6.665 0.000 -3.680) 7.614 7.181 ( -12.233 0.000 -6.355) 13.785 7.563 ( -4.083 0.000 0.675) 4.138 8.255 ( 4.956 0.000 1.604) 5.209 8.675 ( -5.726 0.000 5.309) 7.809 8.994 ( 10.356 0.000 3.051) 10.796 9.434 ( -6.224 0.000 -4.865) 7.900 9.710 ( 3.242 0.000 5.392) 6.292 9.847 ( 17.480 0.000 -2.405) 17.644 10.254 ( 4.669 0.000 1.079) 4.792 10.488 ( 6.115 0.000 2.154) 6.483 11.242 ( -7.855 0.000 -1.853) 8.071 11.436 ( -12.295 0.000 4.607) 13.130 11.808 ( -1.931 0.000 1.684) 2.562 11.980 ( -4.494 0.000 1.161) 4.641 13.969 ( -14.030 0.000 -0.782) 14.052 14.033 ( -15.327 0.000 -3.593) 15.742 14.170 ( -12.152 0.000 -7.251) 14.151 14.190 ( -14.183 0.000 0.806) 14.206 14.641 ( -9.047 0.000 1.532) 9.176 15.745 ( 8.665 0.000 0.265) 8.669 15.772 ( 3.519 0.000 0.875) 3.626 15.908 ( 6.899 0.000 0.031) 6.899 20.023 ( -18.051 0.000 -1.025) 18.080 20.168 ( -12.092 0.000 1.983) 12.254 22.381 ( 1.513 0.000 0.209) 1.528 22.721 ( 3.538 0.000 1.543) 3.860 ======================= Grid point 108 (40/160) ======================= q-point: (-0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( -6.186 0.000 35.389) 35.926 0.434 ( -22.291 0.000 4.266) 22.696 1.063 ( -30.585 0.000 23.882) 38.805 1.118 ( -35.668 0.000 0.355) 35.670 1.644 ( -2.870 0.000 0.831) 2.987 1.904 ( -5.509 0.000 -0.497) 5.531 2.163 ( 0.863 0.000 -2.905) 3.030 2.302 ( -0.212 0.000 0.053) 0.218 2.496 ( 6.052 0.000 5.165) 7.956 2.581 ( 4.544 0.000 -0.871) 4.627 2.732 ( -2.491 0.000 2.822) 3.764 2.867 ( 6.244 0.000 -5.246) 8.155 2.964 ( 6.537 0.000 -7.440) 9.904 3.008 ( -0.357 0.000 -3.612) 3.630 3.055 ( -5.912 0.000 3.396) 6.818 3.177 ( 1.655 0.000 16.404) 16.488 3.317 ( -4.844 0.000 3.949) 6.250 3.379 ( 9.457 0.000 17.457) 19.854 3.661 ( -22.032 0.000 2.941) 22.227 3.705 ( 5.525 0.000 -2.933) 6.256 3.764 ( 3.426 0.000 -2.515) 4.250 4.338 ( -12.076 0.000 4.844) 13.011 4.356 ( 1.186 0.000 1.712) 2.083 4.595 ( -1.087 0.000 0.484) 1.190 4.599 ( -0.541 0.000 18.315) 18.323 4.894 ( 10.204 0.000 -5.832) 11.753 5.269 ( -10.816 0.000 -2.907) 11.200 5.365 ( 0.246 0.000 4.096) 4.103 5.690 ( -8.000 0.000 -3.056) 8.563 5.838 ( -6.156 0.000 -0.221) 6.160 6.113 ( 10.763 0.000 1.198) 10.830 6.503 ( -13.328 0.000 -15.325) 20.310 6.718 ( 9.298 0.000 0.411) 9.307 6.945 ( -8.586 0.000 -1.293) 8.683 7.159 ( 2.662 0.000 -1.551) 3.081 7.485 ( -5.054 0.000 1.046) 5.161 8.343 ( 2.866 0.000 1.673) 3.318 8.617 ( -2.912 0.000 -0.934) 3.058 9.083 ( 3.758 0.000 -11.625) 12.217 9.382 ( -0.511 0.000 10.268) 10.281 9.717 ( 4.319 0.000 -8.051) 9.136 10.153 ( 8.759 0.000 7.094) 11.271 10.329 ( 4.200 0.000 -0.057) 4.201 10.599 ( 2.307 0.000 5.476) 5.942 11.121 ( -3.711 0.000 -2.536) 4.495 11.256 ( -14.976 0.000 -13.799) 20.364 11.753 ( -4.767 0.000 -1.207) 4.917 11.912 ( -1.816 0.000 -3.390) 3.846 13.815 ( -6.611 0.000 2.629) 7.115 13.838 ( -9.266 0.000 6.489) 11.312 14.006 ( -0.654 0.000 15.438) 15.452 14.014 ( -7.779 0.000 0.098) 7.780 14.540 ( -4.627 0.000 -0.026) 4.627 15.789 ( 0.633 0.000 -3.444) 3.502 15.852 ( 3.959 0.000 0.591) 4.003 15.990 ( 3.684 0.000 -0.765) 3.763 19.776 ( -10.835 0.000 0.508) 10.847 19.978 ( -10.992 0.000 -8.685) 14.009 22.395 ( 0.917 0.000 -1.002) 1.358 22.753 ( 1.399 0.000 -2.772) 3.105 ======================= Grid point 109 (41/160) ======================= q-point: ( 0.00 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -2.463 20.502 12.553) 24.165 0.963 ( -2.866 21.072 20.688) 29.669 1.092 ( 2.697 17.350 4.025) 18.014 1.482 ( -1.797 27.212 24.001) 36.329 1.697 ( 1.714 3.605 -1.246) 4.182 1.965 ( 0.906 9.439 2.546) 9.818 2.243 ( 0.245 0.978 2.455) 2.654 2.370 ( -3.644 1.353 -1.725) 4.253 2.469 ( -1.210 4.315 -1.634) 4.769 2.658 ( 0.466 0.598 -0.913) 1.187 2.789 ( -0.521 -3.025 -8.130) 8.690 2.829 ( 1.767 -1.752 -6.560) 7.017 2.977 ( 4.720 -2.370 -3.082) 6.115 3.026 ( 1.133 11.222 -3.489) 11.807 3.277 ( -4.932 2.348 8.372) 9.996 3.350 ( 9.943 13.042 9.740) 19.074 3.427 ( -1.748 1.312 22.087) 22.194 3.551 ( -0.730 -2.808 6.181) 6.828 3.693 ( -4.170 15.733 0.962) 16.305 3.798 ( 2.680 9.298 -1.866) 9.855 3.865 ( -5.391 10.542 -1.278) 11.909 4.296 ( -7.680 3.089 -12.811) 15.253 4.392 ( -2.189 7.996 3.580) 9.030 4.722 ( 4.323 -1.332 0.748) 4.585 4.902 ( -10.264 4.144 3.478) 11.603 4.948 ( 8.102 13.104 3.316) 15.759 5.201 ( 2.658 2.611 3.909) 5.401 5.532 ( -0.339 5.603 0.470) 5.633 5.629 ( -1.612 10.642 -5.027) 11.879 5.772 ( 5.837 11.335 4.566) 13.543 6.244 ( -2.951 3.695 1.738) 5.039 6.458 ( -1.269 -6.784 -7.524) 10.210 6.619 ( 2.235 4.966 -6.434) 8.429 6.987 ( 3.085 0.533 1.312) 3.394 7.081 ( -2.095 3.668 -4.471) 6.150 7.489 ( 3.990 -4.756 -0.516) 6.230 8.439 ( -5.682 4.526 -6.714) 9.892 8.761 ( 4.686 0.262 2.126) 5.153 8.922 ( 2.642 -3.580 -13.191) 13.922 9.505 ( -0.259 -4.096 14.345) 14.921 9.623 ( 0.047 -3.188 -9.628) 10.143 10.270 ( -0.551 0.177 2.528) 2.594 10.381 ( -1.285 1.055 -2.050) 2.640 10.589 ( -2.988 -3.098 17.087) 17.621 10.669 ( -5.175 -1.451 10.767) 12.034 11.051 ( 4.099 -2.953 -1.368) 5.234 11.639 ( -0.579 -2.492 -5.513) 6.077 11.816 ( 0.150 -2.281 -6.992) 7.356 13.902 ( 2.116 2.322 12.351) 12.744 13.946 ( -1.613 6.933 9.190) 11.625 13.995 ( 0.112 10.619 1.968) 10.801 14.474 ( 3.789 7.442 -0.833) 8.392 14.514 ( -0.663 3.560 -1.376) 3.874 15.723 ( 0.218 -0.292 -9.019) 9.027 15.856 ( -0.290 -3.350 0.872) 3.474 15.977 ( 0.029 -3.373 -1.238) 3.593 19.742 ( 0.993 6.833 -1.139) 6.998 19.807 ( -2.488 7.512 -1.081) 7.986 22.351 ( 0.174 -3.875 -1.409) 4.127 22.678 ( -0.107 -3.177 -6.524) 7.258 ======================= Grid point 110 (42/160) ======================= q-point: ( 0.10 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 8.417 16.863 8.520) 20.684 1.169 ( 4.039 20.614 10.929) 23.679 1.312 ( 14.373 8.919 6.422) 18.094 1.681 ( 1.400 -4.767 -0.694) 5.017 1.844 ( 11.752 5.322 14.516) 19.420 2.012 ( -0.391 8.283 0.625) 8.316 2.196 ( -2.360 -0.846 -3.411) 4.233 2.296 ( -2.676 -2.330 5.077) 6.194 2.555 ( -4.632 -2.419 -3.586) 6.338 2.589 ( 3.648 13.742 6.271) 15.539 2.761 ( 2.059 5.953 0.417) 6.313 2.794 ( 0.974 -5.728 -4.711) 7.481 3.006 ( -0.615 0.022 1.275) 1.416 3.116 ( 4.332 3.791 6.348) 8.569 3.263 ( -9.053 11.267 4.906) 15.263 3.416 ( -6.586 5.119 6.879) 10.812 3.536 ( -2.451 6.559 0.373) 7.012 3.634 ( 3.022 7.653 -9.096) 12.266 3.721 ( 0.801 8.089 0.871) 8.175 3.827 ( 1.117 2.356 15.681) 15.897 3.915 ( 7.173 9.193 12.142) 16.835 4.082 ( 0.521 8.832 -1.150) 8.922 4.409 ( -0.194 8.588 3.170) 9.156 4.767 ( 3.557 -3.274 -4.861) 6.856 4.868 ( -2.284 6.949 11.316) 13.475 5.092 ( 6.602 16.895 0.673) 18.151 5.444 ( 17.524 -0.143 2.590) 17.715 5.513 ( -1.651 14.587 -2.503) 14.892 5.574 ( 1.392 9.252 -4.839) 10.533 5.902 ( 1.657 -0.272 1.579) 2.305 6.155 ( -7.525 -0.153 0.725) 7.562 6.380 ( 3.851 -0.961 2.071) 4.477 6.646 ( 5.776 1.555 -7.708) 9.757 6.817 ( -1.173 7.901 -14.186) 16.281 7.225 ( 6.707 -3.495 6.009) 9.660 7.486 ( 1.601 -0.911 -3.530) 3.982 8.306 ( -5.014 -0.788 -1.691) 5.350 8.781 ( 0.782 -0.135 -6.291) 6.341 8.849 ( -3.801 0.166 3.650) 5.272 9.402 ( -8.510 -1.075 -16.634) 18.715 9.656 ( -1.833 -4.285 12.914) 13.729 10.233 ( -3.731 0.336 -7.670) 8.536 10.310 ( -7.198 -1.678 10.739) 13.036 10.595 ( -10.622 -2.540 4.236) 11.714 10.933 ( 17.452 -3.030 9.389) 20.048 11.205 ( 10.106 -0.649 4.986) 11.288 11.597 ( 4.581 -2.547 -8.389) 9.892 11.742 ( 3.248 -1.605 -10.044) 10.677 14.002 ( 2.889 13.305 2.106) 13.777 14.047 ( 5.315 5.270 0.906) 7.540 14.233 ( 8.095 1.605 22.218) 23.701 14.466 ( -1.059 5.020 3.789) 6.378 14.533 ( 4.509 4.646 -0.562) 6.499 15.580 ( -0.655 -1.137 -13.927) 13.989 15.831 ( -3.864 -2.991 0.109) 4.888 15.921 ( -5.057 -4.696 -1.440) 7.050 19.856 ( 13.121 5.002 -2.270) 14.224 19.886 ( 10.052 5.195 1.489) 11.412 22.330 ( -1.002 -4.125 -1.086) 4.382 22.575 ( -1.681 -3.300 -8.487) 9.260 ======================= Grid point 111 (43/160) ======================= q-point: ( 0.20 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 11.894 14.902 4.979) 19.706 1.333 ( 7.960 16.550 1.473) 18.424 1.596 ( 6.518 -1.101 10.777) 12.643 1.672 ( 3.400 -2.518 -3.169) 5.286 1.971 ( -2.495 -2.281 0.500) 3.417 2.098 ( 3.268 -1.778 -1.146) 3.893 2.226 ( 4.875 -1.141 2.110) 5.433 2.299 ( -6.441 -2.462 0.060) 6.896 2.434 ( -5.565 -2.622 4.406) 7.567 2.620 ( -9.135 1.333 -3.383) 9.832 2.732 ( -5.352 1.547 -1.463) 5.760 2.766 ( -3.406 1.248 -3.593) 5.106 2.926 ( 0.925 12.406 -0.475) 12.449 3.041 ( -10.750 9.467 -3.862) 14.836 3.289 ( 4.665 0.702 5.589) 7.314 3.434 ( 0.973 3.473 -3.743) 5.198 3.587 ( 4.660 11.560 2.395) 12.692 3.687 ( 15.675 9.794 13.073) 22.640 3.858 ( 7.937 2.595 2.600) 8.746 3.959 ( 5.340 2.142 12.409) 13.678 4.197 ( 14.935 11.591 3.344) 19.198 4.379 ( 4.429 6.823 20.412) 21.973 4.496 ( 7.747 4.370 8.591) 12.366 4.746 ( 3.364 -3.595 -9.100) 10.346 4.963 ( 1.123 5.325 3.057) 6.242 5.184 ( 4.051 16.835 -0.294) 17.318 5.288 ( -10.965 12.604 -10.523) 19.744 5.530 ( 1.132 14.119 -4.913) 14.992 5.821 ( 1.132 -4.079 2.924) 5.145 5.887 ( 6.903 -9.940 6.473) 13.725 6.030 ( -5.796 1.193 0.172) 5.920 6.589 ( 1.669 -4.325 -18.283) 18.862 6.613 ( 9.193 0.453 1.250) 9.289 6.711 ( 6.521 3.924 2.088) 7.892 7.399 ( 9.008 -2.017 3.396) 9.836 7.519 ( 6.668 -0.212 -2.102) 6.995 8.248 ( -1.089 -0.699 1.378) 1.890 8.701 ( 0.304 2.170 -7.841) 8.141 8.835 ( -7.342 5.480 7.465) 11.818 9.004 ( -11.211 2.403 -17.737) 21.121 9.753 ( -3.076 -4.219 10.643) 11.854 10.030 ( -8.246 -1.169 -8.671) 12.022 10.355 ( -5.743 -3.076 11.150) 12.914 10.439 ( -10.470 -3.268 0.629) 10.986 11.313 ( 15.465 -1.798 8.264) 17.626 11.442 ( 10.132 0.755 6.254) 11.931 11.574 ( 5.529 -0.631 -9.646) 11.136 11.708 ( 6.791 -1.638 -10.171) 12.339 14.093 ( 6.559 2.941 1.273) 7.300 14.164 ( 8.854 3.534 -0.278) 9.537 14.562 ( 8.286 3.986 6.715) 11.386 14.589 ( 10.702 7.204 1.593) 12.999 14.729 ( 8.764 -0.057 19.105) 21.019 15.398 ( -0.310 -2.692 -15.908) 16.137 15.729 ( -7.998 -3.769 -1.024) 8.901 15.780 ( -10.072 -7.578 -1.324) 12.674 20.070 ( 15.695 2.641 -1.551) 15.992 20.132 ( 16.186 2.956 1.719) 16.544 22.292 ( -2.817 -3.874 0.033) 4.790 22.436 ( -3.340 -2.933 -8.164) 9.295 ======================= Grid point 112 (44/160) ======================= q-point: ( 0.30 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 10.501 11.828 0.803) 15.837 1.489 ( 9.728 8.846 2.131) 13.320 1.693 ( -5.102 -5.902 1.244) 7.900 1.752 ( 5.122 -0.210 0.393) 5.142 1.947 ( -1.017 0.524 1.567) 1.940 2.111 ( -2.648 -4.066 -2.476) 5.447 2.144 ( -8.186 -1.514 -0.123) 8.326 2.165 ( -4.510 0.928 -1.684) 4.903 2.324 ( -8.373 1.734 -3.507) 9.242 2.438 ( -6.769 -1.814 3.915) 8.028 2.602 ( -8.275 1.104 0.697) 8.377 2.649 ( -8.342 5.941 -6.610) 12.189 2.808 ( -0.509 10.337 -6.605) 12.277 3.051 ( 0.299 14.132 8.675) 16.585 3.419 ( 11.867 4.759 -3.220) 13.185 3.564 ( 3.929 6.305 4.383) 8.626 3.768 ( 12.923 -1.598 5.928) 14.308 3.920 ( 11.399 -3.613 -0.763) 11.983 4.195 ( 14.490 -0.831 7.003) 16.115 4.233 ( 11.203 5.186 8.240) 14.843 4.483 ( 6.797 5.639 -2.333) 9.134 4.542 ( 9.145 6.593 10.224) 15.220 4.691 ( 8.878 -0.680 -11.634) 14.651 4.831 ( 5.379 -0.247 13.766) 14.781 4.941 ( -1.803 2.666 -3.173) 4.520 4.985 ( -8.008 11.108 -10.200) 17.075 5.186 ( -1.510 11.043 -2.204) 11.362 5.488 ( -3.314 14.314 0.764) 14.712 5.769 ( -4.959 -5.567 4.810) 8.872 5.895 ( -5.057 0.810 2.319) 5.622 6.139 ( -0.519 -10.420 5.577) 11.830 6.317 ( -4.725 -6.926 -20.210) 21.881 6.679 ( 7.072 4.469 -5.388) 9.951 6.923 ( 6.649 -0.923 4.767) 8.233 7.590 ( 7.967 -1.226 1.140) 8.141 7.638 ( 9.209 -1.350 -1.099) 9.372 8.326 ( 5.645 1.621 6.237) 8.567 8.629 ( 0.888 6.500 -5.249) 8.402 8.691 ( -0.294 2.859 -8.399) 8.877 8.862 ( -5.231 9.093 7.612) 12.961 9.767 ( -7.787 -3.945 -5.500) 10.317 9.801 ( -7.150 -2.066 3.867) 8.388 10.244 ( -7.763 -4.028 -2.915) 9.219 10.383 ( -8.303 -2.273 8.232) 11.911 11.563 ( 6.851 0.511 -3.828) 7.865 11.601 ( 7.125 0.477 3.532) 7.967 11.676 ( 9.894 0.466 5.338) 11.252 11.722 ( 6.976 -1.771 -7.023) 10.056 14.258 ( 12.116 -6.701 0.836) 13.871 14.338 ( 12.887 -4.346 -0.069) 13.601 14.758 ( 13.936 7.429 -4.207) 16.344 14.819 ( 12.866 4.407 4.930) 14.466 15.064 ( 2.181 -2.323 16.810) 17.109 15.213 ( -0.924 -4.436 -13.680) 14.411 15.548 ( -12.194 -5.405 -1.740) 13.451 15.581 ( -11.726 -7.770 -0.343) 14.071 20.318 ( 15.171 -1.423 -0.247) 15.240 20.412 ( 15.426 -0.478 0.508) 15.442 22.243 ( -4.255 -2.745 1.557) 5.297 22.296 ( -4.242 -1.349 -4.280) 6.175 ======================= Grid point 113 (45/160) ======================= q-point: ( 0.40 0.12 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -9.907 -2.663 -5.591) 11.683 1.551 ( 5.968 7.921 -3.749) 10.603 1.682 ( 6.845 6.359 2.102) 9.576 1.851 ( 2.364 0.957 4.618) 5.275 1.867 ( -6.381 3.845 0.549) 7.470 2.015 ( -0.701 -1.406 -4.441) 4.711 2.117 ( -1.177 2.872 -0.542) 3.151 2.177 ( 2.309 -2.787 3.387) 4.957 2.231 ( -4.127 2.414 1.805) 5.110 2.350 ( -6.530 1.362 3.714) 7.635 2.470 ( -1.377 3.269 -4.573) 5.788 2.520 ( -5.205 -3.171 1.739) 6.339 2.745 ( -2.562 9.269 -0.565) 9.634 3.139 ( -2.819 15.529 7.538) 17.491 3.533 ( 1.406 10.542 1.044) 10.686 3.667 ( 10.780 11.614 -3.421) 16.211 4.019 ( 7.762 -4.356 3.895) 9.715 4.118 ( 10.986 -4.285 -0.189) 11.793 4.349 ( 1.081 -1.511 -17.035) 17.136 4.429 ( 7.081 2.950 -1.297) 7.780 4.459 ( 11.752 -10.878 -0.854) 16.036 4.607 ( 0.677 4.021 -19.865) 20.279 4.724 ( 1.400 4.648 -3.066) 5.741 4.825 ( 10.991 4.617 -7.606) 14.141 4.921 ( -5.117 -9.583 -1.612) 10.983 5.036 ( -1.217 -1.507 14.149) 14.281 5.197 ( -1.668 2.733 4.713) 5.698 5.434 ( -6.219 7.565 5.483) 11.224 5.811 ( 2.496 1.658 3.428) 4.553 5.891 ( -0.438 3.050 5.705) 6.484 5.961 ( -7.449 -2.198 -9.846) 12.541 6.132 ( -6.723 -8.898 0.033) 11.153 6.727 ( 6.310 3.378 -5.497) 9.025 7.024 ( 3.264 3.349 -1.126) 4.810 7.652 ( 1.579 -1.051 0.171) 1.905 7.761 ( 6.291 -2.612 -1.456) 6.965 8.512 ( 5.212 3.613 4.286) 7.654 8.567 ( -0.200 9.712 -3.427) 10.301 8.782 ( 8.776 1.118 3.576) 9.542 8.877 ( -4.762 9.672 8.118) 13.495 9.568 ( -3.558 -4.640 -4.066) 7.122 9.750 ( -7.107 -2.198 4.199) 8.543 10.129 ( -2.306 -2.898 -2.286) 4.352 10.292 ( -8.803 -1.684 1.071) 9.027 11.623 ( 5.988 1.258 -2.654) 6.669 11.713 ( 1.607 1.094 2.286) 3.001 11.776 ( 5.685 -0.569 -1.293) 5.858 11.856 ( 3.879 -0.293 4.880) 6.241 14.496 ( 15.858 -13.055 0.063) 20.541 14.582 ( 16.233 -12.031 0.510) 20.212 14.895 ( 9.251 2.224 -8.423) 12.708 15.014 ( -3.862 -6.153 -7.950) 10.769 15.066 ( 4.590 -0.420 2.349) 5.173 15.143 ( -4.631 -8.295 2.593) 9.848 15.322 ( -9.597 -1.787 -2.748) 10.142 15.452 ( -8.497 2.057 7.135) 11.284 20.525 ( 9.584 -6.136 -0.387) 11.387 20.618 ( 9.592 -4.611 -1.217) 10.713 22.199 ( -1.955 0.071 1.649) 2.559 22.226 ( -4.487 0.322 4.172) 6.135 ======================= Grid point 114 (46/160) ======================= q-point: (-0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 1.959 0.251 -3.901) 4.373 1.566 ( 1.065 6.303 -4.358) 7.737 1.707 ( 0.948 6.508 -3.451) 7.427 1.847 ( -4.732 2.448 7.267) 9.011 1.911 ( 0.545 -0.880 -1.807) 2.082 2.006 ( 1.673 1.224 6.523) 6.844 2.084 ( -3.383 2.537 0.522) 4.261 2.171 ( 1.557 0.692 -3.060) 3.503 2.274 ( 4.659 2.476 -2.322) 5.764 2.328 ( -1.872 1.019 4.935) 5.376 2.466 ( -2.305 -5.332 1.514) 6.002 2.485 ( 2.206 -0.884 0.938) 2.555 2.775 ( 4.751 10.325 5.900) 12.806 3.100 ( -7.590 16.747 1.753) 18.470 3.541 ( -0.879 7.895 -0.624) 7.968 3.765 ( 4.190 11.323 -4.814) 12.997 4.020 ( -6.216 5.551 -11.990) 14.602 4.074 ( -5.355 1.991 -9.093) 10.739 4.210 ( -2.954 1.461 -22.253) 22.496 4.309 ( 4.569 0.550 -9.108) 10.205 4.533 ( 9.321 -1.000 -4.096) 10.230 4.631 ( 4.051 -10.226 -3.034) 11.410 4.770 ( -2.545 -13.121 -2.317) 13.564 4.814 ( -0.279 -8.716 -0.822) 8.759 4.936 ( -0.300 -10.728 -1.435) 10.828 4.991 ( 0.313 3.263 -1.566) 3.633 5.159 ( -5.071 3.414 7.462) 9.646 5.470 ( 0.009 2.597 7.394) 7.837 5.733 ( -5.428 3.121 -1.485) 6.435 5.854 ( -1.664 9.207 1.247) 9.439 6.027 ( -1.416 -4.279 -0.446) 4.529 6.186 ( 12.669 -1.240 9.143) 15.673 6.757 ( 4.144 0.913 -4.153) 5.937 7.001 ( -1.447 3.857 -5.765) 7.086 7.694 ( 1.245 -1.826 1.918) 2.926 7.782 ( -0.599 -4.368 -2.884) 5.268 8.521 ( -3.836 9.156 -2.886) 10.338 8.555 ( 2.984 9.403 -2.791) 10.253 8.844 ( -7.424 7.650 7.759) 13.185 8.968 ( 1.988 1.910 8.898) 9.316 9.620 ( 6.880 -4.528 5.611) 9.966 9.701 ( -3.550 -2.241 2.963) 5.138 10.107 ( 1.776 -2.652 -1.508) 3.530 10.154 ( -4.154 -0.958 -4.846) 6.454 11.681 ( 1.527 0.740 0.203) 1.709 11.713 ( -1.620 1.535 -0.738) 2.351 11.871 ( 3.733 0.454 3.825) 5.365 11.904 ( -3.767 0.035 3.280) 4.996 14.710 ( -6.849 -16.262 -0.883) 17.667 14.768 ( 4.186 -13.950 -2.348) 14.753 14.817 ( 8.999 -8.036 -6.598) 13.751 14.894 ( -8.971 -11.398 -3.179) 14.849 15.012 ( 1.385 -5.491 -3.997) 6.931 15.030 ( 2.421 -4.135 -7.387) 8.805 15.366 ( -11.260 8.219 5.848) 15.118 15.422 ( 10.104 6.379 5.294) 13.069 20.597 ( 0.008 -7.661 -0.863) 7.710 20.679 ( 0.258 -7.309 -2.500) 7.729 22.228 ( -2.914 1.342 6.670) 7.401 22.254 ( 3.024 1.569 6.070) 6.960 ======================= Grid point 115 (47/160) ======================= q-point: (-0.40 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -1.500 1.586 -13.174) 13.354 1.494 ( -5.491 9.566 -1.988) 11.208 1.681 ( -1.817 12.705 -4.591) 13.631 1.791 ( -6.540 -6.544 4.302) 10.203 1.965 ( 6.029 0.942 -1.971) 6.413 2.040 ( -2.917 0.699 4.472) 5.385 2.126 ( 6.648 0.545 1.839) 6.920 2.220 ( 6.110 0.847 5.061) 7.979 2.320 ( 6.920 4.976 -5.197) 9.982 2.398 ( -3.885 -4.446 1.820) 6.179 2.438 ( 2.481 0.425 7.464) 7.877 2.594 ( 8.888 -2.841 -1.404) 9.436 2.973 ( -2.531 13.657 2.769) 14.163 3.041 ( 8.398 8.692 8.667) 14.872 3.445 ( 0.339 0.980 -16.184) 16.217 3.594 ( -11.063 5.511 -12.717) 17.734 3.684 ( -5.032 6.724 -25.378) 26.732 3.848 ( -15.241 4.143 2.535) 15.996 3.973 ( -8.017 -0.340 -7.269) 10.827 4.163 ( -6.195 4.339 -10.023) 12.557 4.396 ( -24.010 -0.725 -2.549) 24.156 4.608 ( -2.290 -10.549 -3.275) 11.281 4.719 ( 5.967 0.194 0.322) 5.979 4.783 ( -3.621 -11.368 -1.441) 12.018 4.899 ( 8.210 12.047 -2.854) 14.855 5.086 ( -7.701 -0.451 4.040) 8.708 5.293 ( 11.477 3.716 6.200) 13.564 5.559 ( 2.462 0.946 3.257) 4.191 5.706 ( -0.083 3.749 4.057) 5.524 5.859 ( -0.232 7.046 4.463) 8.344 6.007 ( 1.015 -0.791 -3.468) 3.699 6.468 ( 13.000 -11.961 1.489) 17.728 6.766 ( 1.125 -2.350 -2.962) 3.945 6.841 ( -6.450 -0.364 -8.836) 10.946 7.666 ( -5.479 -3.564 -2.252) 6.913 7.705 ( -4.781 -3.691 -2.407) 6.502 8.410 ( -3.712 15.831 -0.669) 16.274 8.630 ( 7.891 6.045 -1.098) 10.000 8.799 ( -8.584 6.606 7.852) 13.379 9.110 ( 0.611 1.864 14.798) 14.927 9.672 ( -3.725 -1.833 0.577) 4.191 9.811 ( 7.503 -2.481 2.421) 8.265 10.056 ( 2.303 -1.358 -5.664) 6.263 10.178 ( 6.711 -2.927 -0.097) 7.322 11.590 ( -8.067 1.015 -2.248) 8.435 11.731 ( -0.604 -0.451 1.350) 1.546 11.821 ( -8.803 1.149 2.215) 9.149 11.967 ( 0.478 0.473 6.048) 6.086 14.441 ( -15.528 -12.152 -2.439) 19.868 14.599 ( -15.553 -12.119 0.114) 19.717 14.697 ( -7.662 -1.078 -11.255) 13.658 14.742 ( -8.188 0.616 -10.277) 13.155 15.096 ( 16.788 -15.497 -0.742) 22.859 15.148 ( -13.686 7.401 4.228) 16.124 15.307 ( 15.447 -11.988 -0.804) 19.569 15.650 ( 8.702 6.247 5.459) 12.023 20.526 ( -7.671 -4.175 0.665) 8.759 20.571 ( -9.305 -6.058 -2.826) 11.457 22.272 ( -0.593 0.682 5.525) 5.598 22.414 ( 5.633 0.152 7.674) 9.521 ======================= Grid point 116 (48/160) ======================= q-point: (-0.30 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -10.072 5.984 -24.327) 27.001 1.316 ( -11.942 12.363 -2.295) 17.342 1.572 ( -6.217 18.604 -1.705) 19.689 1.778 ( -2.151 -6.541 4.627) 8.296 2.018 ( 5.181 1.466 0.775) 5.440 2.095 ( 3.827 3.517 -2.632) 5.826 2.225 ( 1.866 1.754 1.604) 3.022 2.309 ( -1.329 3.316 1.036) 3.719 2.448 ( -5.742 -2.592 5.478) 8.348 2.454 ( 9.139 -1.184 1.987) 9.427 2.541 ( 12.186 0.604 -0.203) 12.203 2.712 ( 6.652 -3.220 -2.172) 7.702 2.947 ( -2.686 11.942 4.389) 13.004 3.188 ( -0.981 -5.560 -13.595) 14.721 3.221 ( -0.454 1.512 -17.850) 17.919 3.318 ( -7.286 2.274 -5.924) 9.662 3.457 ( 1.534 6.554 0.137) 6.733 3.585 ( -10.551 2.553 -0.218) 10.857 3.728 ( -13.714 6.444 -5.515) 16.125 3.971 ( -13.853 10.790 -1.072) 17.592 4.079 ( -5.289 6.697 4.136) 9.483 4.463 ( -12.807 -0.293 -0.871) 12.840 4.664 ( -10.963 -4.264 3.725) 12.339 4.805 ( 3.891 2.422 -2.947) 5.449 4.920 ( -9.634 2.763 -4.666) 11.055 5.003 ( 5.009 14.718 -3.768) 15.997 5.450 ( 0.671 16.320 6.859) 17.715 5.644 ( 4.119 -4.323 -3.099) 6.728 5.787 ( 3.620 3.600 3.366) 6.115 5.937 ( -2.057 -0.035 3.798) 4.319 5.958 ( 1.286 3.596 -0.988) 3.945 6.580 ( -5.532 -11.384 -8.818) 15.426 6.660 ( 9.827 -16.242 -2.510) 19.149 6.787 ( 0.568 -0.695 -0.299) 0.946 7.465 ( -13.486 -1.372 -4.776) 14.372 7.593 ( -4.805 -4.152 -1.445) 6.513 8.405 ( 1.166 16.808 2.151) 16.985 8.753 ( -7.054 3.911 7.557) 11.053 8.769 ( 8.291 1.858 0.871) 8.541 9.368 ( 7.666 -0.467 17.036) 18.687 9.576 ( -6.210 -1.574 -2.177) 6.766 9.856 ( 6.313 1.971 -10.845) 12.703 10.133 ( 7.068 -1.238 2.565) 7.620 10.309 ( 7.896 -3.882 1.022) 8.858 11.399 ( -11.793 -0.950 -2.273) 12.047 11.593 ( -14.445 -1.305 0.420) 14.510 11.790 ( -1.159 -0.051 2.883) 3.108 12.010 ( -3.259 -0.062 4.891) 5.877 14.185 ( -12.009 -4.689 -2.703) 13.172 14.360 ( -13.208 -5.876 -0.526) 14.465 14.395 ( -14.083 0.022 -8.320) 16.357 14.467 ( -11.218 0.286 -8.388) 14.010 14.916 ( -15.809 10.047 1.936) 18.831 15.363 ( 15.413 -14.104 -0.002) 20.892 15.577 ( 15.463 -11.833 0.165) 19.472 15.817 ( 4.924 4.899 3.927) 7.979 20.330 ( -15.268 -1.825 -2.195) 15.532 20.393 ( -10.964 1.650 2.957) 11.475 22.322 ( 0.512 -1.177 2.854) 3.130 22.583 ( 5.069 -1.721 5.526) 7.693 ======================= Grid point 117 (49/160) ======================= q-point: (-0.20 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( -7.940 18.272 -9.112) 21.908 1.077 ( -15.018 15.437 -0.194) 21.538 1.435 ( -9.341 18.337 0.158) 20.580 1.765 ( -4.153 2.949 0.241) 5.100 2.027 ( -19.508 8.429 -1.122) 21.281 2.080 ( -16.404 9.294 -4.833) 19.463 2.210 ( 11.389 -1.109 5.848) 12.851 2.257 ( -1.199 4.665 0.049) 4.817 2.373 ( 5.033 3.585 0.406) 6.193 2.554 ( 1.792 0.711 0.604) 2.020 2.753 ( 6.658 -5.866 -1.105) 8.942 2.779 ( 10.156 -1.816 -2.724) 10.671 2.973 ( -0.867 6.898 2.759) 7.480 3.036 ( 3.873 -1.871 -9.182) 10.139 3.153 ( 2.722 1.479 0.378) 3.121 3.214 ( 0.468 6.533 -3.752) 7.548 3.280 ( -10.465 -0.708 0.053) 10.489 3.437 ( -9.996 5.664 -3.496) 12.009 3.701 ( 4.277 10.647 1.682) 11.596 3.886 ( 1.540 15.621 3.728) 16.133 4.171 ( -16.392 10.749 -2.169) 19.722 4.206 ( 4.080 0.462 11.140) 11.872 4.527 ( -11.214 1.840 4.586) 12.254 4.688 ( -13.277 4.612 1.780) 14.167 4.785 ( -0.024 2.353 -5.501) 5.983 4.987 ( 2.083 19.356 -7.824) 20.981 5.528 ( -8.656 0.527 -5.632) 10.340 5.550 ( 2.132 14.369 4.891) 15.328 5.827 ( -6.205 1.600 0.087) 6.409 5.888 ( -1.630 0.081 0.883) 1.856 6.029 ( 3.803 4.101 0.656) 5.631 6.462 ( -0.845 -7.401 -0.585) 7.472 6.771 ( 10.013 -16.000 -7.862) 20.446 6.799 ( -0.465 -0.236 2.784) 2.832 7.187 ( -11.014 -2.036 -5.835) 12.629 7.519 ( -3.512 -4.127 -0.067) 5.420 8.473 ( 3.595 14.420 2.561) 15.080 8.713 ( -6.204 3.061 4.457) 8.229 8.938 ( 9.835 -3.920 1.034) 10.637 9.400 ( -6.658 -3.004 -4.092) 8.373 9.684 ( 2.973 -2.969 8.096) 9.121 9.896 ( 15.006 4.272 -4.187) 16.154 10.274 ( 7.071 1.484 0.656) 7.255 10.442 ( 5.578 -4.334 2.915) 7.642 11.157 ( -17.022 -7.904 0.422) 18.772 11.341 ( -15.342 -2.200 -0.935) 15.527 11.788 ( -2.811 -1.890 1.776) 3.824 11.974 ( -5.032 -0.771 1.182) 5.226 13.978 ( -10.085 1.550 -2.667) 10.546 14.087 ( -13.638 2.802 -2.270) 14.107 14.159 ( -11.301 1.049 -0.810) 11.378 14.254 ( -3.902 4.800 -3.450) 7.083 14.709 ( -11.235 7.376 1.037) 13.480 15.586 ( 11.509 -10.333 0.085) 15.467 15.791 ( 10.038 -6.303 0.098) 11.853 15.900 ( 2.061 2.003 0.924) 3.018 20.051 ( -15.459 2.781 -1.255) 15.758 20.245 ( -11.787 5.472 2.870) 13.308 22.351 ( 0.730 -2.679 0.388) 2.804 22.692 ( 3.244 -2.788 1.497) 4.532 ======================= Grid point 118 (50/160) ======================= q-point: (-0.10 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( -0.577 22.342 22.854) 31.965 0.874 ( -14.803 19.607 11.450) 27.105 1.253 ( -17.347 11.569 -0.161) 20.851 1.457 ( -25.044 36.787 8.034) 45.222 1.723 ( -1.818 7.081 -3.309) 8.025 1.978 ( -4.251 6.128 0.666) 7.487 2.221 ( -0.241 3.623 -1.133) 3.804 2.407 ( 0.261 5.131 -0.086) 5.138 2.492 ( 9.412 0.783 2.685) 9.819 2.559 ( 1.928 -5.157 -1.283) 5.653 2.809 ( 3.985 -7.074 -3.036) 8.668 2.916 ( 7.662 2.226 -4.491) 9.156 2.945 ( -1.829 3.144 -1.332) 3.874 3.128 ( 5.670 7.834 -10.313) 14.138 3.167 ( 1.139 1.387 8.397) 8.586 3.193 ( 0.635 10.582 2.734) 10.948 3.249 ( -1.422 -0.592 6.524) 6.703 3.408 ( 3.053 2.340 11.081) 11.729 3.768 ( 3.583 6.727 -1.418) 7.752 3.844 ( -11.544 16.027 -3.360) 20.036 3.937 ( -3.934 15.698 0.836) 16.205 4.413 ( -4.877 3.716 6.665) 9.056 4.431 ( 3.080 6.203 -1.432) 7.072 4.666 ( -2.401 6.907 11.923) 13.987 4.716 ( 4.678 -1.584 -1.113) 5.063 4.946 ( 0.993 14.726 -1.972) 14.890 5.318 ( -11.366 4.183 -1.601) 12.217 5.596 ( -6.030 0.404 4.998) 7.842 5.687 ( -3.051 15.264 -2.685) 15.796 5.768 ( -7.244 2.608 -3.856) 8.611 6.172 ( 7.266 4.609 2.750) 9.033 6.475 ( 3.800 -2.484 -3.129) 5.514 6.766 ( -2.484 -7.123 -8.426) 11.310 6.847 ( 2.412 2.007 4.370) 5.380 7.089 ( 7.100 -4.380 -0.737) 8.375 7.457 ( -3.536 -2.585 -0.441) 4.402 8.576 ( 5.805 10.682 -3.303) 12.598 8.644 ( -2.334 2.685 0.325) 3.572 9.025 ( 5.064 -4.664 -11.634) 13.519 9.344 ( -0.635 -3.508 9.665) 10.302 9.696 ( 1.017 -2.669 -5.286) 6.008 10.160 ( 9.661 0.935 5.510) 11.161 10.363 ( 5.551 2.131 -3.237) 6.770 10.566 ( 2.010 -2.498 7.589) 8.239 10.799 ( -31.560 -14.943 7.426) 35.699 11.116 ( -7.431 -1.425 -3.522) 8.346 11.730 ( -4.732 -2.385 -1.082) 5.408 11.894 ( -2.587 -1.842 -3.312) 4.588 13.833 ( -7.277 1.408 5.427) 9.186 13.929 ( -7.732 2.490 5.913) 10.048 14.022 ( -5.263 11.069 0.857) 12.287 14.292 ( 11.397 13.261 0.264) 17.488 14.577 ( -5.719 4.286 -0.133) 7.148 15.730 ( 6.552 -5.249 -1.500) 8.528 15.863 ( -0.195 0.019 -1.145) 1.162 15.950 ( 4.493 -3.938 -0.959) 6.050 19.829 ( -9.670 5.669 -0.423) 11.217 20.031 ( -14.967 5.370 -3.912) 16.376 22.358 ( 0.650 -3.456 -1.004) 3.657 22.722 ( 1.470 -3.085 -2.885) 4.473 ======================= Grid point 119 (51/160) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -3.412 17.208 3.364) 17.863 1.277 ( -4.492 13.778 18.661) 23.628 1.444 ( 0.707 15.617 4.895) 16.381 1.784 ( -1.101 8.999 -10.200) 13.647 2.055 ( -1.387 6.638 -7.734) 10.285 2.127 ( 2.301 0.327 2.912) 3.726 2.213 ( -0.404 6.068 -0.795) 6.133 2.346 ( -5.497 0.778 -3.304) 6.461 2.497 ( 1.146 -1.530 6.790) 7.054 2.621 ( 4.841 -8.352 -1.120) 9.719 2.698 ( 1.989 3.498 -3.378) 5.254 2.946 ( 6.586 1.271 -3.111) 7.394 3.072 ( 1.809 12.951 -4.487) 13.826 3.220 ( -3.885 11.254 4.907) 12.877 3.369 ( 0.578 4.711 10.069) 11.132 3.469 ( -1.522 4.738 25.002) 25.492 3.530 ( -1.670 6.472 5.755) 8.820 3.672 ( 4.450 14.215 4.852) 15.666 3.925 ( -0.865 9.092 -2.343) 9.429 4.160 ( -6.606 16.046 -1.228) 17.396 4.276 ( -6.179 19.237 -6.039) 21.089 4.349 ( 0.999 11.696 -5.074) 12.788 4.538 ( 3.470 2.220 3.108) 5.160 4.617 ( 5.077 3.131 -3.016) 6.684 5.093 ( -8.998 9.392 1.102) 13.053 5.221 ( 1.632 6.318 0.715) 6.564 5.366 ( 4.025 16.373 8.957) 19.092 5.555 ( 2.047 0.005 1.776) 2.710 5.783 ( 2.254 6.703 -1.711) 7.276 6.150 ( 1.452 2.477 -2.004) 3.502 6.297 ( -1.841 10.196 -2.212) 10.594 6.410 ( -4.752 5.008 1.839) 7.144 6.639 ( -0.518 -2.900 -1.197) 3.180 6.914 ( 7.503 -6.533 3.418) 10.520 7.081 ( -1.931 -3.154 -0.504) 3.732 7.412 ( 2.871 -2.880 -0.274) 4.076 8.518 ( -4.932 2.751 -5.586) 7.943 8.792 ( 1.682 3.475 0.826) 3.948 8.868 ( 3.910 -0.060 -11.443) 12.092 9.396 ( -4.054 -5.712 13.260) 14.996 9.522 ( 1.673 -6.459 -3.485) 7.527 10.251 ( -0.541 -3.814 -3.738) 5.367 10.347 ( 0.459 -3.093 0.103) 3.129 10.646 ( 1.220 5.060 8.090) 9.620 10.734 ( -9.089 8.147 6.127) 13.657 10.992 ( 5.802 -1.202 1.231) 6.052 11.562 ( -1.179 -4.883 -5.056) 7.127 11.739 ( 0.262 -5.315 -6.245) 8.205 13.915 ( 1.212 0.028 14.549) 14.599 13.965 ( 0.004 -0.467 13.144) 13.153 14.451 ( -0.352 25.376 -1.005) 25.399 14.652 ( -0.184 10.110 -0.676) 10.134 14.697 ( 1.440 14.278 -1.111) 14.394 15.693 ( 0.327 -2.988 -8.322) 8.848 15.746 ( -0.146 -7.577 0.951) 7.638 15.866 ( -0.051 -7.375 -1.755) 7.581 19.967 ( 1.899 14.305 -1.295) 14.488 20.025 ( -2.950 13.201 -2.685) 13.790 22.241 ( -0.052 -6.333 -2.130) 6.682 22.567 ( -0.001 -7.789 -6.902) 10.407 ======================= Grid point 120 (52/160) ======================= q-point: ( 0.10 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 6.127 8.179 7.743) 12.821 1.424 ( -0.641 5.516 12.834) 13.984 1.566 ( 4.194 12.109 4.711) 13.653 1.678 ( 0.276 7.328 -4.282) 8.492 1.966 ( 0.472 1.036 -5.644) 5.758 2.146 ( -0.074 2.246 -5.399) 5.848 2.187 ( 1.733 1.080 -4.550) 4.987 2.259 ( -0.043 1.053 0.634) 1.229 2.503 ( -0.983 -0.918 -6.407) 6.546 2.636 ( -5.067 -2.008 3.167) 6.304 2.663 ( -0.109 -5.935 -0.784) 5.988 2.931 ( -5.554 0.445 -2.099) 5.954 3.195 ( 1.862 4.470 1.301) 5.014 3.292 ( 4.703 25.751 12.727) 29.107 3.497 ( 2.465 6.275 8.957) 11.211 3.568 ( -0.936 10.004 9.216) 13.634 3.651 ( -6.120 9.570 4.442) 12.197 3.766 ( -1.589 6.140 -1.005) 6.421 3.921 ( -1.023 11.194 1.080) 11.293 3.968 ( -3.117 10.069 16.886) 19.905 4.163 ( -4.528 12.807 1.356) 13.651 4.457 ( 12.013 24.748 0.378) 27.512 4.617 ( 1.648 9.705 0.695) 9.869 4.636 ( 4.855 -5.313 -6.271) 9.546 5.027 ( -5.044 6.992 8.931) 12.413 5.371 ( 13.673 3.055 -1.410) 14.081 5.457 ( 4.436 4.020 -1.078) 6.083 5.612 ( -1.043 -0.195 0.981) 1.445 5.785 ( -1.039 6.967 -0.281) 7.050 6.107 ( -4.211 5.839 -6.388) 9.625 6.187 ( -4.938 14.284 0.557) 15.124 6.431 ( 1.071 4.144 7.336) 8.493 6.591 ( -3.214 -7.334 -3.791) 8.859 6.920 ( -3.963 1.471 -6.216) 7.517 7.143 ( 7.521 -3.666 5.952) 10.268 7.457 ( 2.859 -1.561 0.303) 3.271 8.389 ( -0.159 8.422 -7.678) 11.398 8.792 ( 4.677 2.648 -8.921) 10.414 8.879 ( -0.950 2.966 7.763) 8.364 9.353 ( -5.238 -4.238 -8.681) 10.989 9.556 ( -3.458 -4.253 10.119) 11.509 10.187 ( -1.346 -5.719 -6.229) 8.563 10.279 ( -8.015 -1.278 3.800) 8.961 10.520 ( -13.901 -4.490 1.209) 14.658 10.943 ( 14.783 4.216 9.798) 18.229 11.209 ( 12.122 1.439 5.275) 13.298 11.524 ( 5.090 -4.342 -7.360) 9.947 11.689 ( 4.466 -3.704 -9.356) 11.009 14.136 ( 6.127 3.261 9.237) 11.555 14.242 ( 6.918 0.674 23.066) 24.091 14.343 ( -7.977 16.513 -0.200) 18.340 14.629 ( -7.054 10.006 2.758) 12.549 14.724 ( 8.677 14.506 -3.134) 17.191 15.514 ( -6.701 -5.613 -9.124) 12.635 15.746 ( -1.014 -5.655 -3.496) 6.725 15.774 ( -8.330 -9.176 -2.000) 12.553 20.032 ( 8.440 11.243 -3.844) 14.575 20.057 ( 7.524 11.515 1.107) 13.800 22.215 ( -0.130 -6.540 -2.071) 6.861 22.466 ( -0.924 -7.348 -8.847) 11.538 ======================= Grid point 121 (53/160) ======================= q-point: ( 0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 6.667 3.164 6.286) 9.694 1.524 ( 3.733 -3.625 2.087) 5.606 1.635 ( 1.510 12.179 5.879) 13.608 1.731 ( 3.735 10.020 0.575) 10.709 1.958 ( 0.673 -1.869 0.918) 2.188 2.068 ( -0.109 1.572 -5.765) 5.976 2.214 ( 4.631 0.100 -2.740) 5.382 2.246 ( -4.081 -1.658 -0.971) 4.511 2.370 ( -5.286 -2.621 -1.216) 6.024 2.573 ( -4.911 -4.810 -5.891) 9.053 2.678 ( -0.463 -5.421 3.280) 6.353 2.754 ( -7.197 -2.112 -3.278) 8.185 3.226 ( -2.865 9.732 2.961) 10.568 3.353 ( -8.184 17.111 -1.808) 19.054 3.399 ( -7.008 12.781 4.559) 15.273 3.489 ( -2.935 2.129 -3.950) 5.362 3.824 ( 5.597 9.232 4.514) 11.702 3.869 ( 10.635 11.099 3.862) 15.850 4.061 ( 6.157 11.885 17.967) 22.405 4.103 ( 8.091 14.454 1.274) 16.613 4.359 ( 2.400 2.192 25.361) 25.569 4.602 ( -1.369 9.500 0.294) 9.602 4.640 ( 8.633 -2.657 -11.095) 14.307 4.701 ( 9.332 15.764 6.136) 19.319 5.058 ( -4.196 3.659 5.927) 8.131 5.451 ( -4.938 3.457 -11.149) 12.674 5.474 ( 3.001 6.748 -3.994) 8.396 5.569 ( -3.958 -18.963 1.089) 19.402 5.766 ( 2.313 1.438 1.645) 3.182 5.963 ( -6.051 20.767 -1.076) 21.657 6.136 ( -3.613 8.977 1.288) 9.762 6.420 ( -7.797 -10.383 -8.953) 15.772 6.591 ( 6.336 -1.163 7.726) 10.059 6.839 ( 0.999 5.860 -1.384) 6.104 7.359 ( 11.819 -1.424 3.384) 12.376 7.523 ( 4.908 0.549 0.217) 4.944 8.367 ( 6.784 12.149 -5.274) 14.880 8.778 ( 3.516 5.932 -5.690) 8.940 8.948 ( -2.638 5.051 5.415) 7.861 9.059 ( -8.905 2.955 -12.770) 15.847 9.640 ( -2.355 -6.274 11.068) 12.939 9.991 ( -8.741 -2.675 -10.407) 13.851 10.254 ( -7.323 -6.964 5.850) 11.677 10.337 ( -8.935 -6.528 3.150) 11.505 11.301 ( 14.546 1.053 8.713) 16.989 11.464 ( 11.172 1.233 4.964) 12.288 11.547 ( 7.743 -1.729 -6.852) 10.483 11.671 ( 7.544 -1.900 -10.663) 13.199 14.192 ( -5.409 6.624 -0.163) 8.554 14.267 ( -1.812 6.663 2.098) 7.217 14.625 ( 6.979 2.752 14.749) 16.547 14.715 ( 6.994 0.545 18.738) 20.008 14.832 ( 11.092 12.572 -6.471) 17.971 15.280 ( -9.692 -8.937 -7.942) 15.391 15.561 ( -15.115 -13.040 0.331) 19.965 15.641 ( -2.471 -4.503 -9.354) 10.671 20.152 ( 9.796 5.308 -2.102) 11.338 20.225 ( 9.798 5.707 1.639) 11.457 22.191 ( -0.481 -5.353 -1.034) 5.473 22.346 ( -1.382 -5.609 -8.077) 9.931 ======================= Grid point 122 (54/160) ======================= q-point: ( 0.30 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 2.456 -2.698 -3.982) 5.400 1.665 ( 6.752 5.598 3.397) 9.406 1.735 ( 1.955 10.501 4.246) 11.494 1.802 ( 3.459 6.727 3.251) 8.233 1.990 ( 0.529 2.959 2.760) 4.081 2.011 ( -0.243 -4.319 -2.911) 5.214 2.114 ( -7.736 -1.514 -2.238) 8.194 2.184 ( -2.609 0.838 -0.619) 2.809 2.310 ( -2.940 -1.755 -0.897) 3.540 2.443 ( -4.203 0.090 -0.675) 4.258 2.587 ( -6.383 -1.529 -0.975) 6.636 2.714 ( -5.995 -1.501 -0.385) 6.193 3.061 ( -3.871 12.948 -7.533) 15.472 3.336 ( 1.493 5.934 5.441) 8.188 3.428 ( 4.988 -1.483 -0.152) 5.206 3.519 ( 3.406 0.318 7.066) 7.851 3.895 ( 6.821 10.438 -5.266) 13.535 4.097 ( 8.368 15.521 2.772) 17.849 4.209 ( 5.778 2.526 -0.371) 6.317 4.398 ( 4.677 7.918 13.238) 16.119 4.526 ( -3.392 -1.032 2.290) 4.221 4.655 ( 4.278 -1.677 5.685) 7.310 4.713 ( 10.576 5.162 -3.754) 12.353 4.853 ( 0.246 2.368 -0.590) 2.453 5.022 ( -3.820 6.164 3.420) 8.018 5.197 ( -8.313 8.935 -9.975) 15.762 5.285 ( -15.705 -5.476 3.942) 17.093 5.607 ( 6.510 -5.387 -2.463) 8.802 5.796 ( -6.002 4.733 0.084) 7.644 5.887 ( -0.581 5.261 1.782) 5.585 6.086 ( -4.129 5.788 -0.221) 7.113 6.192 ( -4.861 -1.086 -9.165) 10.431 6.750 ( 6.756 1.377 -1.020) 6.970 6.927 ( 5.753 0.984 5.363) 7.927 7.565 ( 8.508 -1.066 -0.006) 8.574 7.607 ( 5.021 -1.320 -0.354) 5.204 8.479 ( 10.540 12.802 -0.520) 16.591 8.739 ( 3.733 5.447 -7.458) 9.961 8.835 ( -0.117 9.767 -3.816) 10.486 9.036 ( -1.330 6.806 7.320) 10.083 9.659 ( -7.833 -6.053 -3.019) 10.349 9.747 ( -8.490 -2.522 2.397) 9.175 10.120 ( -6.358 -8.068 -2.834) 10.656 10.304 ( -6.869 -5.607 6.872) 11.218 11.574 ( 8.218 0.772 1.253) 8.349 11.612 ( 8.343 0.449 1.021) 8.417 11.690 ( 8.570 0.560 3.608) 9.315 11.694 ( 8.525 -0.457 -7.299) 11.232 14.146 ( 0.351 -3.379 0.370) 3.417 14.252 ( 0.049 -2.975 0.495) 3.016 14.885 ( -1.426 -5.686 -0.341) 5.872 14.909 ( 10.824 6.463 4.812) 13.495 14.996 ( 4.026 0.065 4.533) 6.063 15.039 ( -9.385 -9.912 -3.348) 14.055 15.384 ( -7.693 -7.827 8.867) 14.109 15.474 ( -1.428 -3.159 -12.688) 13.153 20.281 ( 7.621 -1.883 -1.035) 7.918 20.386 ( 6.962 -2.112 1.613) 7.452 22.180 ( -0.508 -2.904 0.740) 3.040 22.253 ( -1.246 -2.678 -3.710) 4.742 ======================= Grid point 123 (55/160) ======================= q-point: ( 0.40 0.25 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 0.799 3.157 -8.802) 9.385 1.713 ( 0.798 7.133 -4.805) 8.637 1.829 ( 2.850 6.871 3.976) 8.434 1.909 ( 1.275 5.435 4.919) 7.441 1.955 ( -3.820 3.941 4.199) 6.910 2.002 ( 0.543 -0.158 -1.576) 1.675 2.128 ( 4.970 -2.125 3.065) 6.214 2.179 ( -0.984 2.878 2.449) 3.905 2.262 ( -0.516 0.350 -1.313) 1.454 2.365 ( -7.811 1.856 4.087) 9.009 2.462 ( -7.337 -1.218 -1.304) 7.550 2.544 ( -6.680 1.523 -4.040) 7.954 2.989 ( 0.837 12.262 -2.760) 12.597 3.448 ( 2.369 8.455 5.477) 10.349 3.618 ( 13.899 -12.133 1.148) 18.486 3.668 ( 8.415 -8.994 1.802) 12.447 3.898 ( 2.768 -1.556 -7.854) 8.472 4.109 ( 1.987 9.478 -6.537) 11.684 4.323 ( 1.432 -4.555 -5.150) 7.023 4.404 ( 0.476 6.633 -0.862) 6.706 4.512 ( -11.287 -10.505 -5.538) 16.384 4.673 ( -3.367 2.639 -0.544) 4.312 4.718 ( -2.898 -1.782 1.362) 3.664 4.794 ( 4.283 5.599 -2.340) 7.428 4.918 ( -5.800 5.982 -17.041) 18.969 5.087 ( 1.798 6.021 4.254) 7.588 5.245 ( -4.234 3.457 9.260) 10.752 5.590 ( -4.418 6.770 -2.591) 8.489 5.779 ( 6.423 -3.259 -0.901) 7.259 5.939 ( 0.505 0.455 7.003) 7.036 6.010 ( -1.324 5.574 -1.807) 6.008 6.081 ( -3.394 5.875 0.312) 6.792 6.800 ( 4.015 3.207 -5.111) 7.248 7.049 ( 4.206 -1.549 -1.238) 4.650 7.609 ( 1.398 -3.114 -0.891) 3.528 7.683 ( 3.803 -4.734 -2.223) 6.467 8.678 ( 9.901 11.358 3.140) 15.391 8.805 ( 0.727 12.656 -2.917) 13.009 8.836 ( 8.852 5.245 2.368) 10.558 9.103 ( -2.500 10.620 8.215) 13.658 9.446 ( -6.274 -6.004 -3.263) 9.277 9.682 ( -7.753 -4.186 4.193) 9.758 10.034 ( -1.027 -6.482 -1.894) 6.831 10.233 ( -7.193 -4.334 1.031) 8.461 11.656 ( 5.212 1.859 -1.639) 5.771 11.744 ( 4.131 1.847 0.522) 4.555 11.779 ( 6.117 0.989 0.565) 6.222 11.842 ( 3.356 -1.157 4.752) 5.932 14.215 ( 7.110 -12.819 0.469) 14.666 14.310 ( 6.789 -12.915 0.454) 14.598 14.671 ( -15.550 -18.137 -1.972) 23.972 14.792 ( -16.352 -18.872 -0.128) 24.971 15.028 ( 9.377 4.729 -11.696) 15.719 15.173 ( 5.778 4.312 -4.161) 8.324 15.334 ( 4.956 1.904 -3.071) 6.133 15.492 ( -3.221 1.559 13.004) 13.487 20.365 ( 3.996 -8.552 -0.971) 9.489 20.475 ( 2.699 -8.776 -0.033) 9.182 22.200 ( 0.525 -0.033 3.214) 3.257 22.229 ( -1.161 -0.087 2.763) 2.999 ======================= Grid point 124 (56/160) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 6.115 8.217 -6.137) 11.940 1.669 ( 1.728 3.685 -4.643) 6.175 1.843 ( -2.590 7.834 -0.354) 8.259 1.916 ( -2.796 4.758 0.420) 5.535 2.001 ( -0.861 6.878 4.847) 8.458 2.020 ( -1.840 -0.173 6.386) 6.648 2.126 ( -5.002 0.076 0.203) 5.007 2.201 ( 1.107 2.120 -0.354) 2.418 2.277 ( 5.597 -1.259 -2.863) 6.411 2.332 ( -2.974 -1.190 -0.260) 3.214 2.370 ( -1.677 -0.610 3.995) 4.375 2.485 ( 3.444 -0.391 -1.486) 3.771 3.026 ( 4.678 11.782 1.425) 12.756 3.468 ( -6.404 15.884 2.916) 17.373 3.583 ( -4.880 -6.348 -12.033) 14.454 3.839 ( 4.985 -18.231 -6.636) 20.031 4.012 ( 12.771 -20.051 0.552) 23.779 4.043 ( -8.853 2.828 -8.483) 12.583 4.106 ( -0.493 -3.421 -9.637) 10.238 4.257 ( -3.988 -13.585 -12.451) 18.854 4.390 ( 0.332 1.597 -13.242) 13.342 4.525 ( -1.283 8.402 -0.800) 8.537 4.654 ( -5.346 5.847 -1.085) 7.996 4.836 ( 4.618 11.384 -4.045) 12.934 4.858 ( 4.860 0.637 2.025) 5.303 5.099 ( -0.740 3.797 0.903) 3.973 5.278 ( -2.387 7.894 4.083) 9.202 5.555 ( 1.917 5.075 1.065) 5.528 5.814 ( -0.459 4.082 0.073) 4.109 5.975 ( -1.620 2.655 3.195) 4.459 6.020 ( -1.013 4.304 1.676) 4.729 6.169 ( 6.222 -0.284 7.227) 9.541 6.776 ( 2.322 0.967 -7.015) 7.453 7.004 ( -3.264 -3.828 -8.483) 9.862 7.618 ( 0.432 -5.331 -1.689) 5.609 7.680 ( 0.628 -5.269 -3.071) 6.131 8.783 ( 1.153 14.115 -1.028) 14.199 8.792 ( 1.246 13.040 -1.526) 13.188 9.006 ( 2.497 6.560 7.164) 10.030 9.096 ( -8.443 12.414 9.101) 17.556 9.491 ( 7.421 -7.636 6.771) 12.619 9.626 ( -3.320 -5.008 3.102) 6.762 10.019 ( 1.118 -6.003 -1.544) 6.298 10.117 ( -3.607 -2.902 -4.144) 6.213 11.713 ( 1.931 2.108 0.768) 2.960 11.756 ( -2.758 2.809 -0.574) 3.978 11.885 ( 2.634 0.681 4.100) 4.920 11.898 ( -2.222 -0.561 4.301) 4.874 14.327 ( -1.816 -18.704 0.540) 18.800 14.411 ( -3.826 -18.433 -1.569) 18.891 14.505 ( 8.786 -18.960 1.694) 20.965 14.578 ( -3.083 -17.285 -1.671) 17.637 14.978 ( 1.909 1.413 -13.917) 14.118 15.032 ( -1.699 1.712 -14.823) 15.018 15.510 ( -9.096 5.805 8.050) 13.463 15.542 ( 8.959 5.064 7.580) 12.781 20.393 ( 0.982 -11.084 -0.691) 11.149 20.475 ( -1.125 -11.723 -1.990) 11.943 22.256 ( -2.118 1.149 6.701) 7.121 22.284 ( 2.338 1.044 6.135) 6.648 ======================= Grid point 125 (57/160) ======================= q-point: (-0.40 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 0.510 8.609 -10.842) 13.853 1.650 ( -3.299 0.548 1.852) 3.823 1.730 ( -6.903 9.157 -2.225) 11.681 1.961 ( 3.122 8.154 2.163) 8.995 1.990 ( -1.927 1.169 1.374) 2.640 2.036 ( -1.870 0.174 2.520) 3.143 2.131 ( 5.105 -0.615 1.509) 5.359 2.230 ( 2.440 -0.737 5.556) 6.112 2.278 ( -1.805 -4.840 -0.093) 5.167 2.339 ( 7.077 -0.661 -4.485) 8.404 2.496 ( 7.267 4.043 2.340) 8.638 2.551 ( 6.527 -1.933 -0.874) 6.863 3.136 ( 6.630 3.720 -2.306) 7.945 3.316 ( -5.003 4.640 -6.805) 9.637 3.421 ( -3.813 3.856 -4.830) 7.262 3.611 ( -13.014 -9.796 -14.963) 22.119 3.640 ( -10.739 -6.209 -14.705) 19.238 3.857 ( -4.828 1.991 -16.462) 17.271 4.180 ( -3.039 16.267 3.807) 16.981 4.320 ( 8.540 0.029 1.803) 8.728 4.351 ( -6.806 -3.733 -1.241) 7.861 4.470 ( 13.462 -10.492 -13.834) 21.970 4.535 ( -7.896 5.416 -1.020) 9.629 4.852 ( 3.196 11.222 -2.963) 12.039 5.026 ( 7.717 -1.351 5.505) 9.575 5.106 ( -6.102 0.406 5.458) 8.197 5.350 ( 12.113 6.305 1.556) 13.744 5.619 ( 3.062 3.933 0.689) 5.032 5.827 ( -0.776 8.021 4.344) 9.154 5.971 ( -4.084 2.170 3.350) 5.710 6.046 ( 2.298 4.422 1.117) 5.107 6.282 ( 1.858 -4.301 -0.644) 4.729 6.704 ( -3.086 -3.051 -8.650) 9.678 6.816 ( -2.571 -1.460 -6.822) 7.436 7.568 ( -1.641 -5.487 -4.597) 7.344 7.621 ( -4.370 -4.684 -4.119) 7.616 8.753 ( -1.774 15.370 -2.039) 15.606 8.812 ( 2.156 11.679 0.769) 11.901 8.988 ( -9.512 11.422 6.393) 16.181 9.172 ( -1.373 4.357 13.882) 14.615 9.607 ( -3.404 -4.635 1.337) 5.904 9.733 ( 10.172 -4.727 5.972) 12.707 10.010 ( 2.802 -3.581 -4.637) 6.495 10.090 ( 4.503 -5.362 -0.854) 7.054 11.635 ( -9.598 3.440 -1.434) 10.296 11.731 ( -3.006 0.732 1.187) 3.314 11.842 ( -7.287 0.747 2.985) 7.910 11.975 ( -0.687 0.029 6.183) 6.221 14.187 ( -7.108 -11.239 -0.923) 13.330 14.302 ( -7.022 -14.078 0.182) 15.733 14.666 ( 1.224 -5.666 -9.025) 10.726 14.711 ( 12.083 -14.538 -1.703) 18.981 14.778 ( -4.565 -3.151 -8.886) 10.475 14.926 ( 13.604 -15.199 -6.698) 21.470 15.385 ( -13.500 10.083 3.825) 17.278 15.753 ( 6.123 3.364 6.746) 9.712 20.391 ( -2.288 -8.550 0.552) 8.868 20.404 ( -2.948 -9.329 -2.202) 10.029 22.291 ( -2.775 1.096 6.127) 6.815 22.411 ( 2.785 -0.567 7.564) 8.080 ======================= Grid point 126 (58/160) ======================= q-point: (-0.30 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -5.067 13.520 -17.485) 22.676 1.515 ( -10.988 3.584 -1.279) 11.628 1.743 ( 0.465 4.681 10.894) 11.866 1.871 ( -8.845 7.777 0.369) 11.783 2.038 ( 1.198 0.035 3.214) 3.430 2.146 ( 11.336 2.626 -1.548) 11.739 2.245 ( -1.592 -1.074 -0.045) 1.921 2.283 ( 2.912 -3.727 7.090) 8.523 2.399 ( 5.351 -2.151 6.737) 8.868 2.420 ( 10.018 -1.627 -5.097) 11.357 2.565 ( 10.326 -2.617 -6.724) 12.597 2.675 ( -0.696 2.801 3.495) 4.533 3.096 ( 4.875 -2.608 -16.179) 17.097 3.225 ( 0.455 9.326 -2.824) 9.754 3.252 ( -3.256 -1.352 -20.240) 20.545 3.324 ( -1.040 6.081 -4.679) 7.743 3.424 ( -4.942 -2.134 -2.799) 6.068 3.789 ( 4.379 9.323 6.933) 12.416 3.956 ( -16.362 13.878 -8.004) 22.900 4.163 ( -10.482 11.934 2.082) 16.019 4.359 ( -7.962 15.750 2.848) 17.876 4.543 ( 5.704 -0.351 -7.560) 9.478 4.566 ( 7.957 -4.239 2.831) 9.450 4.847 ( -2.141 4.969 -1.171) 5.536 4.939 ( -9.937 1.108 0.915) 10.040 5.290 ( 12.989 1.645 -0.409) 13.099 5.571 ( 8.872 2.206 -5.694) 10.771 5.659 ( -1.462 4.480 3.918) 6.129 5.851 ( -2.624 1.316 5.324) 6.080 5.941 ( 1.288 -1.422 -0.180) 1.926 6.116 ( 2.673 11.090 3.149) 11.834 6.248 ( 1.811 -5.679 -5.367) 8.021 6.546 ( -4.260 -2.959 -3.054) 6.019 6.799 ( 4.496 1.850 -2.830) 5.625 7.417 ( -11.613 -3.107 -6.438) 13.636 7.482 ( -3.304 -6.290 -3.746) 8.032 8.715 ( 0.436 11.619 -2.181) 11.830 8.835 ( -4.336 8.258 4.672) 10.432 8.916 ( -4.577 9.437 2.530) 10.789 9.356 ( 3.895 -0.607 12.978) 13.563 9.516 ( -7.492 -4.536 -0.176) 8.760 9.891 ( 8.930 0.988 -5.712) 10.646 10.098 ( 8.997 -2.107 3.334) 9.823 10.189 ( 6.304 -7.696 1.280) 10.030 11.411 ( -15.647 3.048 -1.484) 16.010 11.601 ( -12.560 1.904 -0.455) 12.711 11.782 ( -4.672 -0.749 2.945) 5.573 11.996 ( -4.581 -1.574 4.761) 6.792 14.117 ( -0.131 -1.380 -1.618) 2.131 14.239 ( -1.306 -4.019 0.182) 4.230 14.404 ( -13.595 0.480 -8.901) 16.256 14.472 ( -10.802 0.292 -9.394) 14.318 15.030 ( 19.641 -17.634 -0.279) 26.397 15.172 ( -10.662 10.710 3.502) 15.513 15.238 ( 17.778 -16.448 -1.965) 24.299 15.888 ( 2.236 1.436 4.591) 5.304 20.278 ( -6.845 -3.011 -2.245) 7.808 20.389 ( -3.412 -2.413 3.344) 5.353 22.302 ( -2.764 -0.436 3.649) 4.598 22.531 ( 2.352 -3.214 5.476) 6.771 ======================= Grid point 127 (59/160) ======================= q-point: (-0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -0.465 21.803 -2.437) 21.943 1.327 ( -11.358 9.150 2.275) 14.762 1.698 ( -11.538 7.728 0.097) 13.888 1.898 ( 2.349 8.294 6.038) 10.525 2.119 ( 1.736 -3.656 5.510) 6.837 2.187 ( -1.432 2.252 -3.176) 4.148 2.276 ( 1.840 -1.675 -0.105) 2.491 2.407 ( 9.971 4.145 -0.414) 10.806 2.474 ( -2.609 1.430 1.781) 3.468 2.490 ( -7.449 11.638 1.983) 13.959 2.564 ( 3.242 -10.639 -5.740) 12.515 2.764 ( 14.938 0.235 -2.333) 15.121 2.991 ( 5.479 -2.505 -11.846) 13.290 3.137 ( 4.934 -1.122 -5.017) 7.125 3.222 ( -2.735 11.006 3.437) 11.850 3.320 ( 2.975 6.843 1.826) 7.682 3.385 ( 2.801 11.658 -3.180) 12.404 3.644 ( -10.353 14.209 -4.238) 18.084 3.995 ( -0.524 17.003 3.778) 17.425 4.077 ( 3.758 -2.357 8.636) 9.708 4.328 ( -1.025 13.846 2.303) 14.074 4.470 ( -4.098 12.561 -4.470) 13.948 4.656 ( 0.828 10.740 -1.608) 10.892 4.745 ( -4.640 -1.181 -3.857) 6.148 4.844 ( -7.443 8.935 8.854) 14.616 5.418 ( 3.806 14.209 -6.323) 16.011 5.492 ( -3.272 -3.167 -3.779) 5.918 5.569 ( -6.324 -4.999 -2.860) 8.554 5.892 ( -3.933 0.570 1.178) 4.145 6.028 ( 8.129 5.691 -0.011) 9.923 6.203 ( 3.626 13.097 5.080) 14.508 6.311 ( 9.424 -3.086 -1.967) 10.110 6.499 ( 0.109 -6.585 1.275) 6.709 6.871 ( 6.563 3.187 -1.832) 7.523 7.133 ( -12.763 -2.312 -4.922) 13.873 7.404 ( -2.025 -6.637 -1.897) 7.194 8.709 ( 1.519 6.637 -2.699) 7.324 8.775 ( -9.149 4.936 5.993) 11.999 8.931 ( 4.981 4.876 -0.717) 7.007 9.319 ( -8.190 -4.730 -3.485) 10.079 9.579 ( 1.328 -7.072 7.289) 10.243 9.997 ( 12.211 4.927 -2.209) 13.351 10.256 ( 7.388 -6.335 -3.010) 10.186 10.349 ( 8.541 -1.898 7.114) 11.277 11.098 ( -20.959 3.531 -0.217) 21.255 11.359 ( -14.622 3.062 -1.745) 15.041 11.732 ( -5.094 -3.495 1.965) 6.483 11.937 ( -6.604 -3.127 1.178) 7.401 14.025 ( -10.785 2.404 -3.807) 11.687 14.105 ( -13.997 -0.257 -2.556) 14.230 14.234 ( 3.735 6.077 1.075) 7.214 14.379 ( 8.623 7.301 -2.121) 11.496 14.964 ( -13.045 16.699 0.461) 21.195 15.337 ( 17.553 -13.619 -0.284) 22.219 15.559 ( 17.642 -14.925 0.240) 23.109 15.928 ( -1.429 -0.435 1.088) 1.848 20.134 ( -7.847 5.147 -1.298) 9.474 20.339 ( -7.932 3.355 2.969) 9.110 22.289 ( -1.830 -2.757 0.828) 3.411 22.605 ( 1.716 -5.655 1.391) 6.071 ======================= Grid point 128 (60/160) ======================= q-point: (-0.10 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 0.299 21.269 12.807) 24.829 1.228 ( -8.051 16.251 7.882) 19.775 1.507 ( -11.152 11.983 0.587) 16.380 1.912 ( 0.677 10.845 -8.007) 13.498 2.090 ( -3.113 4.337 1.122) 5.455 2.191 ( -0.819 -6.534 -0.058) 6.586 2.223 ( -7.563 24.426 -5.655) 26.188 2.366 ( 2.128 -4.426 8.498) 9.815 2.446 ( -2.003 -2.725 -2.155) 4.010 2.553 ( 9.484 1.423 -5.776) 11.195 2.643 ( 4.509 -4.083 0.910) 6.151 2.906 ( 8.414 -0.563 -6.820) 10.845 3.102 ( 3.957 -1.576 5.711) 7.124 3.163 ( -1.940 2.102 10.823) 11.194 3.228 ( -3.524 11.048 5.687) 12.916 3.352 ( 2.751 7.113 -2.905) 8.161 3.481 ( 5.324 14.308 5.499) 16.226 3.549 ( 1.568 15.007 -1.310) 15.146 3.958 ( -1.640 10.150 -0.271) 10.285 4.211 ( -1.110 16.511 -2.054) 16.676 4.344 ( -0.289 14.271 1.246) 14.328 4.418 ( 0.640 2.137 5.729) 6.148 4.579 ( -8.152 -0.640 -7.221) 10.909 4.594 ( 0.948 10.529 -5.477) 11.906 5.013 ( 8.226 19.180 15.821) 26.188 5.252 ( -8.526 10.767 -4.487) 14.449 5.416 ( -11.106 4.293 0.353) 11.912 5.511 ( 2.019 -1.609 0.141) 2.586 5.801 ( -2.309 2.752 -2.742) 4.519 6.136 ( 4.281 12.250 -1.251) 13.036 6.277 ( 2.623 3.768 0.057) 4.591 6.441 ( 0.281 2.553 4.772) 5.419 6.595 ( 8.805 -6.835 0.228) 11.148 6.847 ( -1.737 -3.827 -5.969) 7.300 7.043 ( 2.017 0.718 3.811) 4.371 7.381 ( 1.226 -4.746 -0.900) 4.984 8.649 ( -6.365 -0.306 -0.747) 6.416 8.750 ( 2.563 6.164 -0.619) 6.704 8.964 ( 3.790 0.307 -11.924) 12.515 9.254 ( -0.502 -4.440 9.850) 10.816 9.583 ( -3.496 -8.284 -0.774) 9.025 10.207 ( 10.060 3.722 1.877) 10.889 10.302 ( 4.230 -9.024 -4.173) 10.804 10.567 ( 6.523 2.213 5.766) 8.982 10.782 ( -16.993 8.910 5.472) 19.952 11.105 ( -12.645 1.279 -2.603) 12.973 11.656 ( -5.234 -4.731 -0.637) 7.084 11.828 ( -4.520 -4.813 -3.038) 7.268 13.854 ( -8.511 0.658 5.834) 10.340 13.925 ( -8.560 -1.026 5.412) 10.180 14.360 ( 8.616 17.269 0.255) 19.301 14.565 ( 13.268 13.805 -0.661) 19.159 14.771 ( -10.220 15.918 -0.545) 18.924 15.581 ( 12.627 -9.254 -0.576) 15.666 15.778 ( 7.454 -9.120 -0.107) 11.779 15.875 ( -2.536 -2.970 -2.881) 4.853 20.010 ( -5.255 11.529 -0.740) 12.691 20.185 ( -11.253 9.011 -1.247) 14.470 22.266 ( -0.650 -4.947 -1.192) 5.130 22.617 ( 1.022 -7.227 -3.121) 7.938 ======================= Grid point 129 (61/160) ======================= q-point: ( 0.00 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -6.149 11.970 -5.197) 14.425 1.534 ( -4.677 9.741 2.201) 11.028 1.730 ( -0.592 12.008 6.968) 13.896 1.982 ( -2.059 4.821 -4.321) 6.793 2.010 ( 0.362 2.883 -7.573) 8.111 2.108 ( 0.111 -2.307 -0.378) 2.340 2.222 ( 0.405 -0.946 -4.717) 4.828 2.309 ( 0.523 -7.109 0.266) 7.133 2.440 ( 2.956 -7.762 5.683) 10.064 2.467 ( 1.057 -5.618 -8.668) 10.384 2.772 ( 3.916 3.139 -4.430) 6.694 2.926 ( 3.541 -3.270 -2.889) 5.620 3.248 ( 0.885 5.634 0.710) 5.747 3.437 ( -2.588 1.637 10.974) 11.393 3.549 ( -0.495 8.357 31.639) 32.728 3.635 ( 1.688 16.559 8.894) 18.872 3.760 ( 0.048 7.774 -1.235) 7.872 3.895 ( -0.367 12.826 2.030) 12.990 4.134 ( 2.982 9.112 -4.547) 10.611 4.287 ( -3.888 -0.432 -1.365) 4.143 4.470 ( -4.361 6.044 3.279) 8.143 4.527 ( -4.181 4.502 4.998) 7.920 4.774 ( 3.890 16.356 -1.329) 16.865 5.013 ( 8.315 24.667 -8.812) 27.481 5.214 ( -0.194 1.258 -3.137) 3.385 5.256 ( -3.914 -0.935 -2.424) 4.698 5.549 ( 1.093 1.251 1.562) 2.280 5.653 ( -6.014 7.583 -0.254) 9.681 5.979 ( -0.394 9.067 3.104) 9.592 6.052 ( 4.808 -2.056 -0.874) 5.302 6.390 ( 3.988 -5.312 0.652) 6.674 6.497 ( -3.202 -2.938 -0.160) 4.348 6.568 ( -4.100 0.191 3.738) 5.552 6.766 ( 7.985 -6.463 0.153) 10.274 7.058 ( -4.528 2.530 5.349) 7.451 7.327 ( 2.873 -6.076 0.971) 6.791 8.580 ( -2.243 4.625 -0.119) 5.142 8.857 ( 1.561 -1.370 -5.363) 5.751 8.940 ( 3.069 7.222 1.369) 7.965 9.301 ( -7.055 -5.942 1.231) 9.306 9.426 ( 5.118 3.164 6.856) 9.122 10.033 ( 0.566 -15.241 -3.118) 15.567 10.376 ( -0.711 4.713 -1.952) 5.151 10.647 ( -1.751 -5.091 -3.450) 6.394 10.954 ( -4.462 11.675 1.737) 12.618 11.080 ( 4.286 8.666 3.822) 10.396 11.443 ( -1.631 -6.245 -3.907) 7.545 11.596 ( 0.522 -8.554 -4.505) 9.682 13.915 ( 0.825 0.187 14.808) 14.832 13.947 ( 0.200 -1.105 14.896) 14.938 14.914 ( 9.598 16.937 -1.109) 19.499 14.920 ( -9.218 17.286 -0.539) 19.598 15.058 ( -0.423 19.328 -4.279) 19.801 15.540 ( 2.636 -12.245 0.631) 12.541 15.576 ( -2.352 -9.053 -4.565) 10.408 15.681 ( 0.401 -10.110 -4.355) 11.016 20.280 ( 1.471 13.950 -0.404) 14.033 20.304 ( -2.395 12.288 -0.674) 12.538 22.125 ( -0.168 -3.586 -3.961) 5.346 22.361 ( 0.100 -11.531 -7.024) 13.503 ======================= Grid point 130 (62/160) ======================= q-point: ( 0.10 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -0.768 3.411 -0.288) 3.508 1.462 ( -3.208 -0.987 -2.771) 4.353 1.780 ( -1.764 9.237 5.045) 10.672 1.922 ( 1.044 12.517 0.389) 12.567 1.967 ( 1.315 2.316 -4.840) 5.524 2.100 ( 0.100 -4.271 -2.290) 4.848 2.205 ( 1.052 0.953 0.163) 1.429 2.262 ( 2.350 -3.766 -7.657) 8.851 2.459 ( 0.533 -4.460 0.606) 4.532 2.516 ( -0.113 -6.084 1.220) 6.206 2.674 ( -8.645 3.954 -4.018) 10.321 2.884 ( -6.080 -4.723 -4.069) 8.708 3.269 ( 3.333 3.784 -0.921) 5.126 3.487 ( 2.406 -4.451 -2.403) 5.602 3.745 ( -0.861 15.512 2.928) 15.810 3.866 ( -5.132 12.567 21.855) 25.728 3.912 ( 3.262 15.304 24.259) 28.868 3.940 ( 1.294 9.675 7.132) 12.089 4.132 ( 2.809 8.833 -1.493) 9.389 4.179 ( -9.225 7.890 7.655) 14.351 4.405 ( -3.238 7.579 -3.951) 9.140 4.552 ( 0.589 2.689 3.953) 4.817 4.817 ( -0.345 10.511 1.035) 10.567 4.959 ( 0.920 15.356 -3.923) 15.876 5.107 ( -6.870 1.507 2.861) 7.593 5.287 ( 3.117 -8.038 -6.155) 10.593 5.512 ( -2.560 2.163 -4.246) 5.409 5.598 ( 0.066 -1.818 -1.903) 2.632 5.870 ( -3.577 3.282 -2.270) 5.359 6.244 ( 5.244 1.793 3.792) 6.715 6.356 ( -6.800 -2.884 0.296) 7.392 6.445 ( -3.433 1.658 -1.602) 4.136 6.535 ( -0.973 6.288 2.101) 6.701 6.882 ( 4.257 -5.211 -2.142) 7.062 7.124 ( 5.703 2.938 7.159) 9.613 7.400 ( 3.606 -5.018 3.366) 7.037 8.589 ( 5.368 10.074 -3.221) 11.860 8.883 ( 7.919 2.653 -5.448) 9.972 8.990 ( -1.232 7.916 4.684) 9.280 9.234 ( -3.364 -5.496 1.079) 6.534 9.526 ( -2.330 2.238 5.458) 6.342 9.992 ( -0.025 -12.899 -4.234) 13.576 10.264 ( -8.844 0.567 -0.838) 8.902 10.420 ( -15.592 -5.167 -4.716) 17.090 11.077 ( 11.729 7.775 4.680) 14.829 11.267 ( 11.219 3.285 3.018) 12.074 11.430 ( 6.430 -3.933 -5.037) 9.066 11.589 ( 6.079 -5.921 -6.912) 10.945 14.184 ( 7.698 1.655 16.138) 17.957 14.234 ( 7.940 -0.846 22.059) 23.459 14.691 ( -15.829 16.839 -0.810) 23.125 14.874 ( -12.205 13.679 0.176) 18.334 15.057 ( 7.014 14.850 -6.716) 17.743 15.347 ( -13.117 -9.945 -3.613) 16.853 15.530 ( -11.812 -12.937 0.023) 17.518 15.619 ( 3.716 -7.747 -9.519) 12.824 20.277 ( 0.557 11.250 -1.281) 11.337 20.311 ( 1.401 11.000 0.923) 11.128 22.095 ( 2.481 -3.862 -4.449) 6.393 22.281 ( 1.471 -10.003 -8.775) 13.388 ======================= Grid point 131 (63/160) ======================= q-point: ( 0.20 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 2.292 -2.057 4.014) 5.059 1.474 ( 7.324 -3.313 4.593) 9.258 1.838 ( 1.689 6.379 5.500) 8.590 1.943 ( 1.486 5.790 -2.662) 6.544 1.978 ( 2.713 8.584 1.005) 9.059 2.066 ( -1.120 -2.393 -1.843) 3.221 2.217 ( 3.933 -0.924 -6.272) 7.461 2.255 ( -0.154 -0.741 2.047) 2.182 2.359 ( -9.092 3.398 -7.249) 12.114 2.476 ( -4.682 -2.870 -3.186) 6.348 2.546 ( -1.304 -6.389 2.948) 7.156 2.676 ( -9.918 -5.668 -3.419) 11.924 3.345 ( 3.927 3.154 2.417) 5.586 3.453 ( 0.273 -1.964 -5.506) 5.852 3.697 ( -18.559 16.826 -1.405) 25.091 3.757 ( -10.357 15.409 8.577) 20.452 3.997 ( -3.418 8.888 4.852) 10.688 4.140 ( 4.093 8.185 -1.288) 9.242 4.275 ( 2.772 4.588 16.088) 16.957 4.356 ( 1.102 6.001 10.620) 12.248 4.376 ( 8.527 8.301 9.339) 15.127 4.642 ( 5.065 3.434 1.635) 6.334 4.732 ( -8.231 2.232 1.142) 8.605 5.003 ( 0.226 8.851 2.612) 9.231 5.111 ( -0.713 2.777 6.473) 7.079 5.121 ( -14.262 -23.091 -0.781) 27.152 5.463 ( 4.443 0.144 -8.804) 9.863 5.526 ( 1.090 -0.076 -7.808) 7.884 5.850 ( 1.250 5.805 -1.285) 6.075 6.144 ( -11.841 -5.287 -0.528) 12.978 6.325 ( -4.052 4.920 -3.934) 7.490 6.385 ( 0.636 10.226 1.089) 10.304 6.597 ( 3.722 3.637 4.193) 6.683 6.891 ( 0.913 -1.567 -0.750) 1.962 7.356 ( 11.485 1.682 5.203) 12.720 7.515 ( 4.749 -2.202 3.529) 6.313 8.670 ( 9.734 15.037 -4.696) 18.518 8.938 ( 5.450 7.840 -6.892) 11.776 9.031 ( -0.573 2.650 5.074) 5.752 9.125 ( -4.341 2.555 -7.623) 9.137 9.544 ( -3.716 -0.494 8.935) 9.690 9.913 ( -2.670 -6.000 -8.037) 10.378 10.084 ( -14.367 -7.522 0.132) 16.218 10.185 ( -7.446 -7.633 3.139) 11.116 11.352 ( 13.321 3.531 5.515) 14.844 11.475 ( 10.623 -1.079 0.122) 10.679 11.528 ( 10.508 0.714 -1.814) 10.687 11.624 ( 8.818 -2.668 -8.133) 12.289 14.357 ( -10.228 8.978 1.851) 13.735 14.446 ( -11.820 10.720 2.455) 16.145 14.632 ( 7.007 -2.524 19.319) 20.705 14.764 ( -0.742 4.293 11.512) 12.309 15.002 ( -11.687 -6.799 -2.275) 13.711 15.119 ( -2.666 1.329 -6.483) 7.134 15.293 ( -12.865 -9.171 0.429) 15.805 15.536 ( 3.161 -6.075 -14.506) 16.041 20.274 ( -0.056 5.887 -0.539) 5.912 20.336 ( -0.570 4.113 1.735) 4.500 22.102 ( 3.642 -2.538 -3.197) 5.470 22.217 ( 2.374 -6.470 -7.472) 10.165 ======================= Grid point 132 (64/160) ======================= q-point: ( 0.30 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 6.688 2.428 0.854) 7.166 1.697 ( 7.637 -1.482 9.166) 12.022 1.924 ( 3.887 -0.821 -1.150) 4.136 1.952 ( 1.677 9.188 0.855) 9.379 2.009 ( 0.525 5.208 -0.581) 5.267 2.037 ( -1.114 3.531 1.187) 3.888 2.134 ( -5.466 4.444 -4.388) 8.299 2.206 ( -1.411 1.680 -0.068) 2.195 2.262 ( 1.417 -3.339 -2.319) 4.305 2.394 ( 0.772 -3.891 -1.843) 4.374 2.539 ( -5.842 -3.636 -0.014) 6.881 2.586 ( 0.066 -8.888 1.628) 9.036 3.329 ( -15.922 13.362 -3.212) 21.032 3.386 ( -7.206 4.478 1.794) 8.671 3.416 ( -0.588 1.441 -0.709) 1.710 3.671 ( -6.536 8.909 6.053) 12.599 3.961 ( -4.597 -8.186 -3.929) 10.177 4.170 ( -3.377 -4.258 3.076) 6.245 4.352 ( -6.811 0.395 4.302) 8.065 4.492 ( -7.756 -1.150 3.339) 8.522 4.529 ( 8.738 4.963 1.580) 10.172 4.677 ( 1.936 0.437 2.413) 3.124 4.750 ( 2.395 6.794 -0.761) 7.244 4.854 ( -0.045 -2.165 -6.372) 6.730 5.089 ( -5.079 0.797 16.051) 16.855 5.218 ( 0.119 2.850 8.863) 9.311 5.367 ( 1.007 7.159 -13.436) 15.258 5.558 ( 11.439 -1.405 -8.250) 14.173 5.824 ( -0.723 2.855 -4.321) 5.229 5.958 ( -8.733 -0.562 0.602) 8.772 6.214 ( -4.546 7.352 -2.431) 8.980 6.359 ( -4.522 9.043 -0.169) 10.112 6.741 ( 6.683 -0.170 3.777) 7.679 6.926 ( 1.636 -2.282 3.527) 4.508 7.551 ( 6.681 -0.061 0.279) 6.688 7.589 ( 0.450 -0.721 -0.004) 0.850 8.756 ( 5.651 11.454 -4.532) 13.552 8.899 ( 6.546 9.795 -5.507) 13.004 9.060 ( 5.095 10.843 -4.565) 12.821 9.101 ( 1.251 -0.830 3.060) 3.408 9.546 ( -6.662 -3.538 2.172) 7.850 9.753 ( -9.123 4.511 1.810) 10.337 9.909 ( -4.851 -12.368 -2.549) 13.528 10.148 ( -5.418 -9.547 5.344) 12.209 11.598 ( 8.893 1.440 1.532) 9.139 11.620 ( 9.042 0.388 2.057) 9.281 11.691 ( 9.333 0.083 -5.152) 10.661 11.699 ( 8.609 0.044 0.948) 8.661 14.142 ( -11.501 3.349 -0.214) 11.981 14.249 ( -12.521 3.084 0.415) 12.902 14.611 ( -18.391 -15.495 -0.467) 24.053 14.719 ( -18.802 -15.686 0.636) 24.494 15.050 ( 8.903 6.323 13.076) 17.036 15.148 ( 9.711 7.418 -7.009) 14.087 15.271 ( 2.770 -3.689 13.114) 13.902 15.409 ( 4.213 -3.747 -17.088) 17.994 20.254 ( -1.760 -0.423 -0.445) 1.864 20.329 ( -2.771 -3.175 1.747) 4.562 22.138 ( 3.222 -0.944 -0.348) 3.375 22.193 ( 2.217 -2.887 -2.985) 4.707 ======================= Grid point 133 (65/160) ======================= q-point: ( 0.40 0.38 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 7.846 9.625 -5.958) 13.772 1.834 ( 0.635 3.113 -1.358) 3.455 1.965 ( 1.342 6.409 1.111) 6.642 1.978 ( 3.839 0.660 -4.046) 5.616 2.041 ( 1.394 5.101 5.466) 7.606 2.077 ( 0.183 5.796 3.100) 6.575 2.094 ( 3.437 1.233 1.183) 3.838 2.226 ( 1.794 1.633 2.549) 3.519 2.266 ( 2.553 -0.747 -3.448) 4.355 2.395 ( -1.011 -0.527 0.995) 1.513 2.435 ( -8.628 -1.330 0.325) 8.736 2.526 ( -7.803 -4.272 -0.724) 8.925 3.110 ( -0.949 -0.438 -5.572) 5.669 3.319 ( -1.186 -6.731 3.528) 7.691 3.445 ( 1.307 -0.622 3.072) 3.397 3.645 ( -11.494 -12.732 -6.052) 18.189 3.725 ( -7.654 -3.383 3.093) 8.922 4.000 ( -20.364 -19.634 2.455) 28.394 4.242 ( 1.157 2.590 -12.023) 12.353 4.463 ( -0.387 -3.319 0.102) 3.343 4.522 ( 0.653 8.384 -12.012) 14.663 4.724 ( 1.213 9.718 0.431) 9.803 4.805 ( 2.865 1.369 -2.446) 4.008 4.903 ( 2.811 3.512 9.692) 10.685 5.120 ( 1.841 8.446 -11.278) 14.210 5.218 ( -1.836 10.480 -6.034) 12.232 5.351 ( 6.596 4.708 4.806) 9.422 5.696 ( 9.256 -5.711 -2.935) 11.265 5.728 ( -3.237 7.134 -1.035) 7.902 5.929 ( -1.393 -1.461 6.528) 6.833 6.136 ( -1.845 6.763 -0.104) 7.011 6.255 ( -7.522 6.953 0.509) 10.256 6.841 ( 3.709 1.095 -2.903) 4.836 6.982 ( 0.336 -4.024 -0.327) 4.051 7.541 ( -0.867 -2.748 -2.659) 3.920 7.582 ( -0.136 -4.500 -3.045) 5.435 8.855 ( 7.771 6.364 3.722) 10.711 9.009 ( 4.395 8.267 1.704) 9.517 9.109 ( 8.976 14.831 -3.529) 17.691 9.180 ( 5.569 -2.354 0.929) 6.117 9.424 ( -8.523 2.370 2.229) 9.123 9.633 ( -10.937 2.359 4.081) 11.910 9.863 ( 0.563 -9.396 -1.195) 9.488 10.101 ( -5.517 -8.686 1.786) 10.444 11.700 ( 4.593 2.379 0.126) 5.174 11.785 ( 6.048 1.857 0.709) 6.367 11.796 ( 5.496 -0.750 2.923) 6.270 11.817 ( 3.408 -0.185 1.994) 3.953 14.019 ( -3.353 -5.351 0.157) 6.317 14.101 ( -5.307 -6.725 0.034) 8.566 14.314 ( -14.862 -14.359 -0.596) 20.674 14.413 ( -16.273 -16.253 -0.318) 23.002 15.130 ( 7.799 4.796 -15.177) 17.725 15.234 ( 3.373 0.972 -15.204) 15.604 15.391 ( 8.079 3.625 9.010) 12.633 15.505 ( 0.738 -0.543 14.690) 14.719 20.213 ( -1.763 -5.266 -1.035) 5.649 20.290 ( -3.039 -8.183 0.096) 8.730 22.199 ( 2.060 0.054 3.534) 4.091 22.220 ( 1.166 -0.717 2.658) 2.990 ======================= Grid point 134 (66/160) ======================= q-point: (-0.50 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 4.436 11.315 -5.698) 13.423 1.784 ( 2.428 7.989 -6.155) 10.373 1.953 ( -1.250 -2.408 -4.153) 4.960 1.990 ( -0.015 1.209 -0.839) 1.471 2.044 ( -1.462 5.211 -0.978) 5.500 2.120 ( -5.416 5.778 0.385) 7.928 2.155 ( -2.377 6.135 5.900) 8.837 2.244 ( -0.494 0.366 -0.775) 0.989 2.269 ( 0.830 1.567 -1.569) 2.367 2.311 ( -2.720 -0.348 0.560) 2.799 2.417 ( 2.897 3.021 4.074) 5.841 2.449 ( 1.148 -3.116 -0.140) 3.324 3.133 ( 8.897 -4.847 -6.707) 12.150 3.292 ( -11.642 -18.050 -7.052) 22.607 3.414 ( -5.508 -17.723 1.858) 18.652 3.495 ( 9.772 -20.250 1.221) 22.518 3.725 ( -3.459 5.896 5.141) 8.553 3.824 ( 0.656 -6.590 2.663) 7.138 4.117 ( 1.023 -2.938 -24.879) 25.073 4.128 ( -1.884 -3.587 -26.326) 26.636 4.528 ( 1.317 11.346 -0.278) 11.425 4.763 ( -0.486 8.840 2.948) 9.331 4.857 ( 3.111 1.812 1.629) 3.952 4.922 ( -6.385 9.902 0.744) 11.806 5.076 ( 1.118 8.320 -7.631) 11.345 5.161 ( 2.534 5.971 -1.152) 6.588 5.445 ( -0.217 6.996 -0.901) 7.057 5.635 ( 2.117 1.308 -1.909) 3.137 5.861 ( 5.244 0.664 2.847) 6.003 5.981 ( -2.377 -1.328 6.814) 7.337 6.148 ( -4.584 5.401 1.948) 7.347 6.209 ( 5.190 4.862 3.422) 7.892 6.796 ( 0.295 0.851 -8.169) 8.218 6.889 ( -4.651 -5.683 -8.331) 11.106 7.509 ( 0.968 -4.344 -3.980) 5.970 7.563 ( 1.899 -5.775 -3.003) 6.780 9.012 ( 0.280 7.509 7.749) 10.794 9.046 ( 1.282 11.736 0.491) 11.816 9.218 ( 2.969 11.807 -2.074) 12.350 9.326 ( 2.298 -3.349 8.489) 9.411 9.371 ( 0.992 5.892 5.669) 8.236 9.523 ( -5.146 -1.357 2.519) 5.888 9.863 ( 0.763 -8.413 -0.766) 8.483 10.019 ( -3.493 -6.951 -2.159) 8.073 11.757 ( 0.783 2.136 1.949) 2.995 11.816 ( -3.265 1.858 0.974) 3.881 11.872 ( -0.816 -0.509 3.905) 4.022 11.905 ( 2.223 0.370 3.938) 4.537 14.006 ( -0.970 -11.142 0.420) 11.192 14.068 ( 0.540 -13.551 -0.553) 13.574 14.177 ( 0.590 -10.910 0.380) 10.932 14.252 ( 0.343 -12.952 -1.328) 13.025 15.024 ( 0.489 2.433 -15.819) 16.013 15.063 ( -1.130 0.938 -16.270) 16.336 15.605 ( -3.294 3.355 9.667) 10.750 15.623 ( 3.858 2.602 9.379) 10.470 20.189 ( 0.792 -7.590 -1.135) 7.715 20.241 ( -1.276 -9.703 -1.891) 9.967 22.273 ( -1.060 0.570 6.766) 6.872 22.292 ( 1.336 -0.187 6.390) 6.531 ======================= Grid point 135 (67/160) ======================= q-point: (-0.40 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -6.870 5.211 -3.571) 9.333 1.759 ( -0.721 7.918 -7.200) 10.726 1.815 ( -7.782 -3.346 -3.141) 9.035 1.960 ( 1.853 -1.824 -3.952) 4.730 2.045 ( 0.098 3.031 1.701) 3.477 2.060 ( 4.714 3.179 -1.483) 5.876 2.160 ( -4.632 1.102 4.678) 6.675 2.236 ( 0.148 2.653 2.926) 3.952 2.255 ( 0.230 2.085 -1.241) 2.437 2.348 ( 6.467 1.051 -0.791) 6.600 2.469 ( 1.094 -4.520 -3.150) 5.617 2.569 ( 4.988 -0.225 6.684) 8.343 3.142 ( 2.171 -8.167 -3.961) 9.333 3.172 ( 10.245 -1.142 -16.379) 19.353 3.318 ( -1.086 -7.700 0.384) 7.786 3.651 ( -2.877 3.036 -9.347) 10.240 3.668 ( -0.771 5.487 -19.781) 20.543 3.810 ( 12.396 -14.430 1.660) 19.096 3.914 ( 3.975 -4.988 -2.071) 6.706 4.122 ( 22.312 -17.756 -15.573) 32.490 4.554 ( -1.446 15.612 4.092) 16.204 4.663 ( -10.121 11.216 -4.018) 15.633 4.784 ( -8.837 14.940 -0.446) 17.364 4.930 ( 0.795 -2.600 2.367) 3.605 5.055 ( 3.332 1.478 0.810) 3.734 5.108 ( -8.428 0.078 1.132) 8.504 5.498 ( 9.831 7.812 -1.491) 12.645 5.684 ( 3.754 1.668 -0.291) 4.119 5.930 ( -2.467 0.586 3.249) 4.122 5.960 ( -6.218 -1.985 2.236) 6.899 6.172 ( 3.785 7.353 1.824) 8.469 6.319 ( 4.134 5.377 0.800) 6.829 6.663 ( -4.367 -0.446 -7.926) 9.060 6.780 ( 3.282 -2.404 -5.218) 6.617 7.461 ( 0.236 -4.047 -7.075) 8.154 7.517 ( -1.789 -5.097 -6.569) 8.505 9.023 ( -3.347 11.564 -2.516) 12.299 9.061 ( -2.482 10.452 6.203) 12.405 9.216 ( -4.252 7.885 2.134) 9.209 9.308 ( -7.061 9.747 8.614) 14.801 9.479 ( -3.042 -7.624 2.492) 8.579 9.646 ( 11.954 -3.018 5.954) 13.692 9.892 ( 3.817 -7.005 0.865) 8.025 9.973 ( 1.765 -5.992 -2.086) 6.586 11.718 ( -9.699 3.862 0.841) 10.474 11.758 ( -4.378 1.501 2.237) 5.141 11.855 ( -5.929 0.892 3.030) 6.717 11.956 ( -2.628 -1.998 5.117) 6.089 14.014 ( 3.742 -4.920 -0.121) 6.182 14.091 ( 4.759 -5.647 -0.349) 7.393 14.340 ( 16.403 -16.039 0.081) 22.942 14.397 ( 15.892 -15.232 -0.618) 22.022 14.787 ( -8.413 1.294 -12.885) 15.443 14.818 ( -6.295 -0.291 -15.362) 16.605 15.580 ( -8.552 8.457 5.699) 13.309 15.781 ( 2.352 -0.738 7.346) 7.748 20.214 ( 1.414 -7.223 -1.933) 7.610 20.224 ( 3.856 -7.388 -0.413) 8.344 22.317 ( -3.303 1.463 6.803) 7.702 22.388 ( 0.082 -1.583 7.478) 7.644 ======================= Grid point 136 (68/160) ======================= q-point: (-0.30 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -3.552 6.759 -3.781) 8.521 1.612 ( -7.652 9.259 -1.380) 12.090 1.704 ( -3.814 -7.268 3.480) 8.915 1.956 ( 0.578 0.082 -1.946) 2.032 2.106 ( 1.699 2.967 4.084) 5.326 2.147 ( -2.689 -1.779 3.846) 5.019 2.198 ( 9.499 2.335 0.927) 9.826 2.269 ( 3.305 0.159 2.403) 4.089 2.341 ( 5.462 -1.763 -1.839) 6.027 2.426 ( 1.094 0.072 -2.220) 2.476 2.457 ( 10.108 -4.147 -1.380) 11.012 2.699 ( -0.385 -4.530 10.779) 11.698 3.053 ( 9.802 -1.104 -27.523) 29.237 3.169 ( 4.866 -3.906 -13.021) 14.438 3.418 ( 11.265 10.447 -2.107) 15.508 3.478 ( 11.508 13.171 -13.413) 22.041 3.588 ( -4.815 10.848 1.354) 11.946 3.868 ( 1.024 -0.308 2.011) 2.278 4.075 ( 4.312 -8.469 0.262) 9.507 4.323 ( 14.056 -16.013 -7.244) 22.505 4.447 ( -4.793 10.148 -3.367) 11.717 4.541 ( -4.594 13.788 1.376) 14.599 4.733 ( -0.084 10.245 7.336) 12.601 4.926 ( -1.203 2.838 -1.876) 3.608 4.962 ( -7.344 -2.297 0.512) 7.712 5.211 ( 8.883 -2.142 5.409) 10.619 5.627 ( 7.245 2.393 -8.098) 11.126 5.728 ( -2.775 1.489 -0.296) 3.163 5.836 ( -2.400 0.182 3.488) 4.238 5.928 ( -2.019 -1.178 1.851) 2.982 6.251 ( 5.252 4.974 -0.772) 7.275 6.377 ( 1.135 6.167 1.548) 6.458 6.551 ( -1.280 5.801 -3.427) 6.858 6.818 ( 6.169 -1.434 -3.167) 7.081 7.344 ( -8.257 -3.545 -6.301) 10.975 7.364 ( -2.352 -4.244 -7.625) 9.038 8.919 ( -4.892 9.423 -2.738) 10.964 9.041 ( -8.224 9.184 4.232) 13.034 9.137 ( -4.058 9.886 -0.945) 10.728 9.358 ( -0.099 1.598 8.442) 8.592 9.392 ( -7.903 -5.831 -1.395) 9.920 9.856 ( 9.456 -7.107 -1.094) 11.880 10.028 ( 5.712 -4.690 1.343) 7.511 10.054 ( 9.945 -2.447 6.489) 12.125 11.521 ( -15.046 6.781 0.525) 16.511 11.653 ( -10.495 2.361 0.721) 10.782 11.767 ( -8.319 -0.137 2.579) 8.711 11.934 ( -6.522 -4.541 3.966) 8.882 14.144 ( 12.208 4.353 -0.978) 12.998 14.228 ( 9.717 3.007 0.175) 10.173 14.410 ( -12.690 -0.135 -8.782) 15.433 14.482 ( -10.004 0.831 -9.709) 13.966 14.666 ( 21.653 -16.938 0.387) 27.494 14.813 ( 23.701 -18.484 -2.045) 30.126 15.478 ( -9.567 13.816 2.880) 17.050 15.864 ( -0.763 -3.915 4.751) 6.203 20.225 ( 2.638 -1.583 -1.728) 3.529 20.308 ( 4.379 -4.621 1.850) 6.630 22.315 ( -5.003 1.788 4.534) 6.984 22.455 ( -1.253 -4.067 5.381) 6.861 ======================= Grid point 137 (69/160) ======================= q-point: (-0.20 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 2.609 14.950 2.185) 15.333 1.534 ( -4.587 12.938 4.917) 14.581 1.755 ( -1.172 -2.669 6.425) 7.056 1.942 ( 2.297 -0.556 -1.356) 2.724 2.122 ( -3.546 -7.096 2.874) 8.437 2.164 ( -0.837 0.300 2.395) 2.555 2.246 ( -0.185 1.471 -3.027) 3.371 2.377 ( -0.215 -4.254 -4.258) 6.022 2.382 ( 3.397 -2.091 -0.567) 4.029 2.486 ( 11.299 4.514 1.547) 12.265 2.653 ( 9.466 -1.682 -0.899) 9.656 2.816 ( 0.682 -1.434 6.647) 6.834 2.949 ( 9.534 -0.042 -10.974) 14.537 3.085 ( 7.281 -3.969 -10.881) 13.681 3.437 ( -5.472 12.215 0.696) 13.403 3.553 ( 7.577 17.317 -4.619) 19.458 3.695 ( 11.549 12.962 -0.344) 17.364 3.937 ( 2.416 1.270 -0.280) 2.744 4.019 ( -6.752 10.016 5.957) 13.469 4.337 ( -5.957 12.346 3.957) 14.268 4.435 ( 6.070 -8.104 -5.983) 11.761 4.606 ( 7.445 8.100 0.732) 11.027 4.734 ( -6.954 -3.521 3.474) 8.534 4.853 ( 0.733 3.551 -4.435) 5.728 5.104 ( 10.470 15.231 11.950) 22.009 5.373 ( 5.894 0.116 -5.338) 7.953 5.507 ( -0.671 -1.104 -3.900) 4.108 5.605 ( -4.631 0.116 -9.160) 10.265 5.931 ( -0.592 2.595 3.980) 4.789 5.996 ( 8.169 -2.976 2.734) 9.114 6.320 ( 3.138 2.145 -3.160) 4.943 6.402 ( 0.612 0.193 5.006) 5.047 6.522 ( -0.976 9.664 0.621) 9.733 6.863 ( 3.129 -4.963 -6.585) 8.820 7.132 ( -9.145 2.236 0.256) 9.418 7.270 ( -1.568 -5.589 -2.827) 6.457 8.803 ( -7.378 5.982 -0.643) 9.520 8.931 ( -6.347 7.553 0.378) 9.873 9.104 ( 1.767 7.989 -1.812) 8.380 9.204 ( -10.633 -6.402 -1.427) 12.494 9.442 ( 0.492 -2.458 2.392) 3.465 9.970 ( 6.471 -12.581 -1.064) 14.188 10.157 ( 8.834 3.094 0.778) 9.392 10.322 ( 12.834 -2.232 5.395) 14.100 11.257 ( -16.988 10.084 0.426) 19.760 11.450 ( -14.033 4.896 -0.543) 14.873 11.652 ( -8.477 -3.652 1.784) 9.401 11.836 ( -8.771 -6.632 1.064) 11.048 14.062 ( -14.634 1.214 -3.683) 15.139 14.095 ( -15.186 -0.614 -2.818) 15.457 14.416 ( 16.981 11.532 0.513) 20.533 14.568 ( 19.318 11.334 -0.916) 22.416 15.027 ( 21.168 -15.367 -0.083) 26.158 15.213 ( 23.767 -17.723 -0.135) 29.648 15.344 ( -8.936 17.843 0.661) 19.967 15.863 ( -3.619 -6.127 1.132) 7.206 20.250 ( 1.845 5.636 -0.704) 5.972 20.378 ( 0.634 0.288 1.962) 2.082 22.263 ( -5.113 0.778 1.223) 5.314 22.468 ( -1.800 -7.275 1.314) 7.608 ======================= Grid point 138 (70/160) ======================= q-point: (-0.10 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 0.683 18.502 4.577) 19.072 1.553 ( -0.829 15.006 5.488) 16.000 1.725 ( -6.577 8.820 2.515) 11.286 1.998 ( 3.645 -5.060 -2.878) 6.868 2.096 ( -3.394 -3.693 1.722) 5.303 2.162 ( 0.984 2.018 -5.812) 6.231 2.216 ( 2.943 -1.170 -2.269) 3.896 2.299 ( -1.330 -6.179 -2.173) 6.684 2.367 ( 0.329 -5.931 -1.668) 6.170 2.620 ( -1.208 -3.284 -11.959) 12.460 2.675 ( 9.714 4.341 -0.920) 10.679 2.890 ( 6.035 -3.228 -3.272) 7.586 3.127 ( 4.206 3.581 14.652) 15.659 3.229 ( 3.207 3.310 17.468) 18.066 3.380 ( -3.372 7.429 3.657) 8.940 3.592 ( 1.724 16.935 -1.362) 17.077 3.790 ( 2.325 2.594 -3.617) 5.022 3.892 ( -3.436 21.038 2.181) 21.428 4.092 ( 6.101 3.389 -0.812) 7.026 4.322 ( -1.492 4.579 2.048) 5.233 4.465 ( 1.104 -1.676 1.363) 2.426 4.587 ( -8.627 8.599 4.449) 12.968 4.749 ( 3.129 12.757 -2.525) 13.375 4.892 ( 10.751 12.514 -6.245) 17.640 5.230 ( 5.388 0.471 -4.261) 6.885 5.395 ( -6.945 0.579 -6.606) 9.603 5.539 ( 1.819 6.954 1.972) 7.454 5.569 ( 7.944 10.789 10.816) 17.219 5.894 ( -1.467 6.221 -2.274) 6.784 6.129 ( 0.656 -6.606 -0.468) 6.655 6.301 ( 4.196 -0.030 -2.466) 4.867 6.493 ( 2.226 -2.573 1.422) 3.687 6.546 ( -0.949 1.714 6.988) 7.257 6.749 ( -2.256 -5.661 -6.671) 9.036 7.085 ( -5.403 2.798 5.930) 8.496 7.267 ( 3.048 -5.930 0.038) 6.668 8.666 ( -8.617 3.590 1.163) 9.408 8.889 ( 1.837 6.703 -1.152) 7.045 8.970 ( -6.281 -3.056 -6.653) 9.646 9.238 ( 6.789 1.141 4.935) 8.470 9.414 ( -5.648 -2.155 0.750) 6.092 10.033 ( 2.952 -16.065 -1.557) 16.408 10.314 ( 8.857 6.265 -0.624) 10.867 10.563 ( 11.124 -3.297 0.851) 11.633 11.032 ( -10.536 13.272 2.696) 17.159 11.199 ( -14.681 7.259 -1.250) 16.426 11.540 ( -6.440 -6.163 -0.127) 8.915 11.691 ( -6.920 -8.419 -2.450) 11.170 13.864 ( -9.351 0.464 5.861) 11.045 13.901 ( -9.275 -1.226 5.856) 11.037 14.700 ( 16.446 16.313 -0.259) 23.166 14.865 ( 14.808 15.666 -0.267) 21.558 15.173 ( -7.832 19.034 -1.370) 20.628 15.353 ( 15.783 -11.839 -0.958) 19.753 15.531 ( 13.101 -14.214 0.427) 19.336 15.775 ( -5.309 -7.372 -3.181) 9.625 20.266 ( 0.796 11.722 -0.161) 11.750 20.364 ( -3.449 7.120 0.186) 7.914 22.188 ( -3.206 -1.520 -1.905) 4.027 22.431 ( -1.156 -10.295 -3.253) 10.859 ======================= Grid point 139 (71/160) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -7.060 -2.427 -9.422) 12.021 1.614 ( -7.060 2.427 -9.422) 12.021 1.935 ( -0.520 -8.074 3.786) 8.933 1.935 ( -0.520 8.074 3.786) 8.933 2.101 ( -1.808 -8.156 2.227) 8.646 2.101 ( -1.808 8.156 2.227) 8.646 2.237 ( 1.997 -6.866 -3.607) 8.009 2.237 ( 1.997 6.866 -3.607) 8.009 2.323 ( 3.898 -5.319 -3.844) 7.634 2.323 ( 3.898 5.319 -3.844) 7.634 2.844 ( 3.753 -4.041 -3.740) 6.663 2.844 ( 3.753 4.041 -3.740) 6.663 3.374 ( -1.616 -6.099 3.261) 7.102 3.374 ( -1.616 6.099 3.261) 7.102 3.671 ( -0.453 -5.115 23.043) 23.608 3.671 ( -0.453 5.115 23.043) 23.608 4.062 ( 4.137 -12.368 -2.362) 13.254 4.062 ( 4.137 12.368 -2.362) 13.254 4.198 ( -1.484 -8.626 -1.116) 8.823 4.198 ( -1.484 8.626 -1.116) 8.823 4.573 ( -5.820 -3.698 7.377) 10.097 4.573 ( -5.820 3.698 7.377) 10.097 5.085 ( 0.066 -12.076 -0.975) 12.115 5.085 ( 0.066 12.076 -0.975) 12.115 5.257 ( 8.470 -2.170 -10.409) 13.594 5.257 ( 8.470 2.170 -10.409) 13.594 5.691 ( -9.469 -6.378 -0.412) 11.424 5.691 ( -9.469 6.378 -0.412) 11.424 6.013 ( 2.618 -6.996 -0.051) 7.470 6.013 ( 2.618 6.996 -0.051) 7.470 6.389 ( 0.762 -7.773 1.503) 7.953 6.389 ( 0.762 7.773 1.503) 7.953 6.628 ( 3.122 -6.397 2.774) 7.640 6.628 ( 3.122 6.397 2.774) 7.640 7.176 ( -0.809 -7.676 4.016) 8.701 7.176 ( -0.809 7.676 4.016) 8.701 8.725 ( -0.952 -8.643 1.382) 8.804 8.725 ( -0.952 8.643 1.382) 8.804 9.123 ( 1.053 -9.576 1.759) 9.793 9.123 ( 1.053 9.576 1.759) 9.793 9.684 ( 0.937 -17.326 0.075) 17.352 9.684 ( 0.937 17.326 0.075) 17.352 10.507 ( -1.190 -7.348 -4.293) 8.593 10.507 ( -1.190 7.348 -4.293) 8.593 11.158 ( -1.411 -5.834 -0.254) 6.007 11.158 ( -1.411 5.834 -0.254) 6.007 11.413 ( 0.481 -6.922 -2.166) 7.269 11.413 ( 0.481 6.922 -2.166) 7.269 13.926 ( 0.468 -0.858 15.144) 15.175 13.926 ( 0.468 0.858 15.144) 15.175 15.216 ( 1.598 -5.868 -0.520) 6.104 15.216 ( 1.598 5.868 -0.520) 6.104 15.292 ( -2.530 -3.821 -2.950) 5.450 15.292 ( -2.530 3.821 -2.950) 5.450 15.456 ( 1.220 -9.982 -4.232) 10.911 15.456 ( 1.220 9.982 -4.232) 10.911 20.445 ( -0.499 -0.546 0.601) 0.954 20.445 ( -0.499 0.546 0.601) 0.954 22.152 ( 0.008 -6.824 -6.229) 9.240 22.152 ( 0.008 6.824 -6.229) 9.240 ======================= Grid point 141 (72/160) ======================= q-point: ( 0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -4.390 -3.229 -5.609) 7.821 1.411 ( -4.390 3.229 -5.609) 7.821 1.946 ( -0.332 -7.069 0.347) 7.086 1.946 ( -0.332 7.069 0.347) 7.086 2.094 ( 0.201 -4.711 -1.485) 4.944 2.094 ( 0.201 4.711 -1.485) 4.944 2.180 ( 1.517 -3.777 -3.645) 5.464 2.180 ( 1.517 3.777 -3.645) 5.464 2.418 ( 1.548 -2.614 4.392) 5.340 2.418 ( 1.548 2.614 4.392) 5.340 2.771 ( -7.570 -5.377 -5.209) 10.646 2.771 ( -7.570 5.377 -5.209) 10.646 3.371 ( 3.444 -5.901 -3.688) 7.764 3.371 ( 3.444 5.901 -3.688) 7.764 3.941 ( -3.849 -2.794 23.394) 23.873 3.941 ( -3.849 2.794 23.394) 23.873 4.103 ( 0.878 -7.044 -1.242) 7.206 4.103 ( 0.878 7.044 -1.242) 7.206 4.219 ( 4.929 -4.559 6.166) 9.116 4.219 ( 4.929 4.559 6.166) 9.116 4.579 ( -5.538 -6.532 9.099) 12.495 4.579 ( -5.538 6.532 9.099) 12.495 4.972 ( -12.142 -7.528 -0.968) 14.319 4.972 ( -12.142 7.528 -0.968) 14.319 5.186 ( -1.729 -4.429 -8.754) 9.961 5.186 ( -1.729 4.429 -8.754) 9.961 5.553 ( -2.230 -1.813 -4.771) 5.570 5.553 ( -2.230 1.813 -4.771) 5.570 6.028 ( -1.192 -12.276 0.920) 12.368 6.028 ( -1.192 12.276 0.920) 12.368 6.431 ( 1.240 -3.336 0.747) 3.637 6.431 ( 1.240 3.336 0.747) 3.637 6.719 ( 4.709 -9.848 0.038) 10.917 6.719 ( 4.709 9.848 0.038) 10.917 7.252 ( 3.972 -8.189 6.135) 10.977 7.252 ( 3.972 8.189 6.135) 10.977 8.795 ( 7.211 -9.242 0.352) 11.728 8.795 ( 7.211 9.242 0.352) 11.728 9.143 ( -1.731 -5.629 2.237) 6.300 9.143 ( -1.731 5.629 2.237) 6.300 9.698 ( 0.248 -13.737 0.477) 13.748 9.698 ( 0.248 13.737 0.477) 13.748 10.317 ( -12.846 -4.334 -5.445) 14.610 10.317 ( -12.846 4.334 -5.445) 14.610 11.231 ( 9.599 -6.464 0.110) 11.573 11.231 ( 9.599 6.464 0.110) 11.573 11.458 ( 7.693 -5.958 -3.169) 10.233 11.458 ( 7.693 5.958 -3.169) 10.233 14.212 ( 8.216 -1.219 19.997) 21.653 14.212 ( 8.216 1.219 19.997) 21.653 15.016 ( -16.937 -12.877 -2.561) 21.429 15.016 ( -16.937 12.877 -2.561) 21.429 15.189 ( -11.834 -11.790 -0.458) 16.711 15.189 ( -11.834 11.790 -0.458) 16.711 15.434 ( 3.883 -9.044 -8.304) 12.877 15.434 ( 3.883 9.044 -8.304) 12.877 20.424 ( -3.229 -1.313 0.955) 3.614 20.424 ( -3.229 1.313 0.955) 3.614 22.106 ( 4.023 -5.379 -7.429) 10.015 22.106 ( 4.023 5.379 -7.429) 10.015 ======================= Grid point 143 (73/160) ======================= q-point: ( 0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 4.676 -2.069 5.091) 7.216 1.410 ( 4.676 2.069 5.091) 7.216 1.947 ( 1.463 -5.167 -1.932) 5.707 1.947 ( 1.463 5.167 -1.932) 5.707 2.089 ( 2.137 -4.896 -1.540) 5.559 2.089 ( 2.137 4.896 -1.540) 5.559 2.196 ( 1.176 -3.677 0.617) 3.909 2.196 ( 1.176 3.677 0.617) 3.909 2.440 ( -3.970 -3.490 -1.065) 5.392 2.440 ( -3.970 3.490 -1.065) 5.392 2.533 ( -9.623 -7.176 -3.117) 12.402 2.533 ( -9.623 7.176 -3.117) 12.402 3.400 ( 3.813 -2.729 -1.948) 5.078 3.400 ( 3.813 2.729 -1.948) 5.078 3.978 ( -9.818 -1.637 -3.223) 10.462 3.978 ( -9.818 1.637 -3.223) 10.462 4.060 ( -11.447 -4.216 13.748) 18.380 4.060 ( -11.447 4.216 13.748) 18.380 4.440 ( 9.764 -2.959 2.294) 10.457 4.440 ( 9.764 2.959 2.294) 10.457 4.578 ( -13.191 -17.122 10.994) 24.249 4.578 ( -13.191 17.122 10.994) 24.249 4.758 ( -5.047 -8.041 2.736) 9.880 4.758 ( -5.047 8.041 2.736) 9.880 5.123 ( -0.182 -3.728 1.208) 3.923 5.123 ( -0.182 3.728 1.208) 3.923 5.494 ( 4.792 -2.394 -8.847) 10.342 5.494 ( 4.792 2.394 -8.847) 10.342 5.995 ( -3.625 -7.761 -0.411) 8.576 5.995 ( -3.625 7.761 -0.411) 8.576 6.426 ( -1.578 -3.148 -0.635) 3.578 6.426 ( -1.578 3.148 -0.635) 3.578 6.771 ( 2.128 -9.368 0.188) 9.608 6.771 ( 2.128 9.368 0.188) 9.608 7.432 ( 7.889 -4.958 5.678) 10.911 7.432 ( 7.889 4.958 5.678) 10.911 8.927 ( 8.770 -8.754 -2.461) 12.633 8.927 ( 8.770 8.754 -2.461) 12.633 9.110 ( -2.217 -3.776 -1.595) 4.660 9.110 ( -2.217 3.776 -1.595) 4.660 9.694 ( -2.286 -12.735 0.987) 12.976 9.694 ( -2.286 12.735 0.987) 12.976 10.054 ( -11.786 -3.939 -1.727) 12.546 10.054 ( -11.786 3.939 -1.727) 12.546 11.426 ( 12.015 -3.238 1.227) 12.504 11.426 ( 12.015 3.238 1.227) 12.504 11.567 ( 10.047 -2.630 -3.628) 11.000 11.567 ( 10.047 2.630 -3.628) 11.000 14.532 ( -1.966 -7.111 10.541) 12.866 14.532 ( -1.966 7.111 10.541) 12.866 14.694 ( -17.241 -12.346 1.194) 21.239 14.694 ( -17.241 12.346 1.194) 21.239 14.969 ( -12.271 -9.186 8.173) 17.372 14.969 ( -12.271 9.186 8.173) 17.372 15.383 ( 5.627 -8.743 -13.863) 17.329 15.383 ( 5.627 8.743 -13.863) 17.329 20.362 ( -5.778 -1.871 1.261) 6.203 20.362 ( -5.778 1.871 1.261) 6.203 22.109 ( 5.435 -3.259 -5.798) 8.589 22.109 ( 5.435 3.259 -5.798) 8.589 ======================= Grid point 145 (74/160) ======================= q-point: ( 0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 8.957 -5.410 7.013) 12.596 1.616 ( 8.957 5.410 7.013) 12.596 1.952 ( 2.749 -3.261 -1.607) 4.558 1.952 ( 2.749 3.261 -1.607) 4.558 2.120 ( 0.886 -6.117 0.534) 6.204 2.120 ( 0.886 6.117 0.534) 6.204 2.197 ( 2.142 -3.300 -5.863) 7.060 2.197 ( 2.142 3.300 -5.863) 7.060 2.299 ( -4.131 -6.768 1.549) 8.079 2.299 ( -4.131 6.768 1.549) 8.079 2.471 ( -2.661 -1.824 0.327) 3.242 2.471 ( -2.661 1.824 0.327) 3.243 3.440 ( -0.426 -0.301 2.341) 2.399 3.440 ( -0.426 0.301 2.341) 2.399 3.659 ( -21.253 -17.080 -4.324) 27.606 3.659 ( -21.253 17.080 -4.324) 27.606 3.921 ( -19.361 -15.218 6.159) 25.384 3.921 ( -19.361 15.218 6.158) 25.384 4.385 ( -3.295 -3.586 -2.027) 5.275 4.385 ( -3.295 3.586 -2.027) 5.275 4.653 ( 7.549 -4.704 2.770) 9.316 4.653 ( 7.549 4.704 2.770) 9.316 4.847 ( 2.390 -1.306 1.804) 3.267 4.847 ( 2.390 1.306 1.804) 3.267 5.187 ( 1.283 -6.107 9.382) 11.268 5.187 ( 1.283 6.107 9.382) 11.268 5.493 ( 8.366 -4.972 -12.112) 15.537 5.493 ( 8.366 4.972 -12.112) 15.537 5.908 ( -5.039 -4.043 -0.408) 6.473 5.908 ( -5.039 4.043 -0.408) 6.473 6.370 ( -4.484 -6.237 -0.837) 7.727 6.370 ( -4.484 6.237 -0.837) 7.727 6.824 ( 2.567 -6.693 3.235) 7.864 6.824 ( 2.567 6.693 3.235) 7.864 7.566 ( 2.097 -1.332 0.716) 2.586 7.566 ( 2.097 1.332 0.716) 2.586 8.946 ( 1.822 -6.973 -5.806) 9.255 8.946 ( 1.822 6.973 -5.806) 9.255 9.134 ( 6.738 -4.698 -0.676) 8.242 9.134 ( 6.738 4.698 -0.676) 8.242 9.636 ( -4.772 -12.270 -0.322) 13.170 9.636 ( -4.772 12.270 -0.322) 13.170 9.927 ( -6.230 -10.983 3.743) 13.170 9.927 ( -6.230 10.983 3.743) 13.170 11.621 ( 8.978 -0.523 2.054) 9.225 11.621 ( 8.978 0.523 2.054) 9.225 11.694 ( 9.353 -0.318 -2.127) 9.597 11.694 ( 9.353 0.318 -2.127) 9.597 14.278 ( -19.876 -7.779 -0.386) 21.347 14.278 ( -19.876 7.779 -0.386) 21.347 14.446 ( -18.391 -7.834 0.172) 19.991 14.446 ( -18.391 7.834 0.172) 19.991 15.167 ( 7.113 -4.659 17.959) 19.870 15.167 ( 7.113 4.659 17.959) 19.870 15.309 ( 7.289 -5.791 -16.614) 19.045 15.309 ( 7.289 5.791 -16.614) 19.045 20.271 ( -6.596 -2.048 0.858) 6.960 20.271 ( -6.596 2.048 0.858) 6.960 22.145 ( 4.232 -1.535 -1.762) 4.835 22.145 ( 4.232 1.535 -1.762) 4.835 ======================= Grid point 147 (75/160) ======================= q-point: ( 0.40 -0.50 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 7.757 -6.756 -0.619) 10.305 1.789 ( 7.757 6.756 -0.619) 10.305 2.017 ( 4.143 -2.288 -4.663) 6.644 2.017 ( 4.143 2.288 -4.663) 6.644 2.113 ( 1.709 -2.216 2.282) 3.611 2.113 ( 1.709 2.216 2.282) 3.611 2.214 ( 5.237 -3.120 -2.976) 6.783 2.214 ( 5.237 3.120 -2.976) 6.783 2.311 ( -0.660 -8.546 3.678) 9.328 2.311 ( -0.660 8.546 3.678) 9.328 2.417 ( -4.078 -0.915 0.725) 4.241 2.417 ( -4.078 0.915 0.725) 4.241 3.253 ( -18.925 -15.851 -5.227) 25.234 3.253 ( -18.925 15.851 -5.227) 25.234 3.358 ( -14.111 -8.190 3.892) 16.773 3.358 ( -14.111 8.190 3.892) 16.773 3.764 ( -3.506 -3.540 3.534) 6.108 3.764 ( -3.506 3.540 3.534) 6.108 4.332 ( 0.548 -6.292 -11.003) 12.687 4.332 ( 0.548 6.292 -11.003) 12.687 4.716 ( 1.694 -7.697 -4.358) 9.006 4.716 ( 1.694 7.697 -4.358) 9.006 4.891 ( 0.826 -4.760 5.629) 7.418 4.891 ( 0.826 4.760 5.629) 7.418 5.291 ( 5.983 -6.368 -6.997) 11.194 5.291 ( 5.983 6.368 -6.997) 11.194 5.512 ( 5.282 -11.278 -1.538) 12.548 5.512 ( 5.282 11.278 -1.538) 12.548 5.867 ( -2.412 -5.071 4.308) 7.078 5.867 ( -2.412 5.071 4.308) 7.078 6.271 ( -4.849 -4.843 -1.018) 6.928 6.271 ( -4.849 4.843 -1.018) 6.928 6.894 ( 1.310 -4.241 -0.399) 4.457 6.894 ( 1.310 4.241 -0.399) 4.457 7.521 ( -2.798 -1.055 -3.518) 4.617 7.521 ( -2.798 1.055 -3.518) 4.617 8.989 ( 6.215 -6.612 2.513) 9.416 8.989 ( 6.215 6.612 2.513) 9.416 9.231 ( 4.368 -5.372 0.280) 6.929 9.231 ( 4.368 5.372 0.280) 6.929 9.557 ( -2.797 -12.206 -1.778) 12.648 9.557 ( -2.797 12.206 -1.778) 12.648 9.884 ( -5.192 -11.240 3.620) 12.900 9.884 ( -5.192 11.240 3.620) 12.900 11.751 ( 3.539 -2.548 2.593) 5.073 11.751 ( 3.539 2.548 2.593) 5.073 11.816 ( 6.187 -0.723 0.701) 6.269 11.816 ( 6.187 0.723 0.701) 6.269 14.006 ( -12.035 -3.359 -0.150) 12.496 14.006 ( -12.035 3.359 -0.150) 12.496 14.188 ( -11.586 -3.877 -0.271) 12.220 14.188 ( -11.586 3.877 -0.271) 12.220 15.212 ( 5.553 -2.824 -17.454) 18.532 15.212 ( 5.553 2.824 -17.454) 18.532 15.466 ( 4.640 -3.105 14.140) 15.202 15.466 ( 4.640 3.105 14.140) 15.202 20.177 ( -4.702 -2.079 -0.520) 5.167 20.177 ( -4.702 2.079 -0.520) 5.167 22.206 ( 2.178 -0.578 3.150) 3.873 22.206 ( 2.178 0.578 3.150) 3.873 ======================= Grid point 149 (76/160) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -0.503 -6.701 -4.934) 8.337 1.838 ( -0.503 6.701 -4.934) 8.337 1.949 ( 2.669 -5.790 -9.671) 11.583 1.949 ( 2.669 5.790 -9.671) 11.583 2.171 ( 1.028 -5.986 -1.608) 6.282 2.171 ( 1.028 5.986 -1.608) 6.282 2.247 ( -6.157 -0.732 2.453) 6.668 2.247 ( -6.157 0.732 2.453) 6.668 2.331 ( 0.857 -2.768 2.528) 3.845 2.331 ( 0.857 2.768 2.528) 3.845 2.401 ( 0.569 -3.931 3.184) 5.091 2.401 ( 0.569 3.931 3.184) 5.091 3.020 ( 1.695 -3.800 -6.339) 7.583 3.020 ( 1.695 3.800 -6.339) 7.583 3.242 ( -2.023 -1.944 3.762) 4.693 3.242 ( -2.023 1.944 3.762) 4.693 3.796 ( -0.955 -1.475 4.778) 5.091 3.796 ( -0.955 1.475 4.778) 5.091 4.080 ( -0.127 -0.373 -28.015) 28.018 4.080 ( -0.127 0.373 -28.015) 28.018 4.732 ( 2.176 -7.285 1.369) 7.725 4.732 ( 2.176 7.285 1.369) 7.725 4.955 ( -0.535 -3.855 3.469) 5.214 4.955 ( -0.535 3.855 3.469) 5.214 5.234 ( -2.809 -3.815 -8.429) 9.669 5.234 ( -2.809 3.815 -8.429) 9.669 5.564 ( 4.444 -5.930 -1.799) 7.626 5.564 ( 4.444 5.930 -1.799) 7.626 5.919 ( -0.910 -4.292 6.502) 7.844 5.919 ( -0.910 4.292 6.502) 7.844 6.246 ( 1.797 -2.686 1.764) 3.681 6.246 ( 1.797 2.686 1.764) 3.681 6.815 ( -3.190 -1.577 -7.815) 8.587 6.815 ( -3.190 1.577 -7.815) 8.587 7.476 ( 1.947 -1.654 -3.863) 4.631 7.476 ( 1.947 1.654 -3.863) 4.631 9.154 ( 2.669 -6.756 9.459) 11.927 9.154 ( 2.669 6.756 9.459) 11.927 9.272 ( -0.088 -9.403 1.778) 9.570 9.272 ( -0.088 9.403 1.778) 9.570 9.518 ( 1.175 -9.939 -2.639) 10.351 9.518 ( 1.175 9.939 -2.639) 10.351 9.838 ( -3.489 -8.808 1.612) 9.611 9.838 ( -3.489 8.808 1.612) 9.611 11.800 ( -1.503 -2.008 3.091) 3.981 11.800 ( -1.503 2.008 3.091) 3.981 11.896 ( 0.749 -1.373 2.743) 3.158 11.896 ( 0.749 1.373 2.743) 3.158 13.904 ( 0.128 -1.636 -0.100) 1.644 13.904 ( 0.128 1.636 -0.099) 1.644 14.088 ( 0.224 -2.217 -0.447) 2.272 14.088 ( 0.224 2.217 -0.447) 2.272 15.062 ( -0.407 -1.052 -16.523) 16.562 15.062 ( -0.407 1.052 -16.523) 16.562 15.645 ( 0.364 -0.462 10.141) 10.158 15.645 ( 0.364 0.462 10.141) 10.158 20.120 ( -0.311 -1.391 -1.724) 2.237 20.120 ( -0.311 1.391 -1.724) 2.237 22.283 ( 0.147 -0.541 6.676) 6.700 22.283 ( 0.147 0.541 6.676) 6.700 ======================= Grid point 151 (77/160) ======================= q-point: (-0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -8.816 -6.041 -5.134) 11.857 1.671 ( -8.816 6.041 -5.134) 11.857 1.917 ( 2.001 -4.243 -6.706) 8.184 1.917 ( 2.001 4.243 -6.706) 8.184 2.110 ( 0.317 -1.286 -2.982) 3.262 2.110 ( 0.317 1.286 -2.982) 3.262 2.180 ( -2.490 -4.352 1.341) 5.191 2.180 ( -2.490 4.352 1.341) 5.191 2.377 ( 0.695 -4.529 1.678) 4.880 2.377 ( 0.695 4.529 1.678) 4.880 2.447 ( -0.353 -8.403 3.694) 9.186 2.447 ( -0.353 8.403 3.694) 9.186 3.101 ( 13.339 -3.156 -10.064) 17.005 3.101 ( 13.339 3.156 -10.064) 17.005 3.388 ( 14.013 -12.466 2.026) 18.865 3.388 ( 14.013 12.466 2.026) 18.865 3.786 ( 10.138 -8.263 -18.679) 22.803 3.786 ( 10.138 8.263 -18.679) 22.803 3.869 ( -0.976 -2.200 -2.276) 3.313 3.869 ( -0.976 2.200 -2.276) 3.313 4.760 ( -2.581 -2.927 1.274) 4.105 4.760 ( -2.581 2.927 1.274) 4.105 4.953 ( -4.957 -6.606 2.119) 8.526 4.953 ( -4.957 6.606 2.119) 8.526 5.051 ( -4.382 -8.063 -4.359) 10.159 5.051 ( -4.382 8.063 -4.359) 10.159 5.647 ( 6.787 -5.453 -1.342) 8.809 5.647 ( 6.787 5.453 -1.342) 8.809 5.928 ( -4.865 -0.697 3.133) 5.828 5.928 ( -4.865 0.697 3.133) 5.828 6.324 ( 3.536 -5.626 1.186) 6.750 6.324 ( 3.536 5.626 1.186) 6.750 6.709 ( 1.258 -4.122 -5.245) 6.788 6.709 ( 1.258 4.122 -5.245) 6.788 7.436 ( 0.518 -1.876 -7.996) 8.229 7.436 ( 0.518 1.876 -7.996) 8.229 9.185 ( -6.298 -1.567 3.693) 7.467 9.185 ( -6.298 1.567 3.693) 7.467 9.315 ( -2.324 -6.606 4.257) 8.195 9.315 ( -2.324 6.606 4.257) 8.195 9.536 ( 2.781 -10.043 0.344) 10.427 9.536 ( 2.781 10.043 0.344) 10.427 9.849 ( 3.363 -4.478 2.563) 6.159 9.849 ( 3.363 4.478 2.563) 6.159 11.768 ( -6.884 -0.924 2.927) 7.537 11.768 ( -6.884 0.924 2.927) 7.537 11.899 ( -4.605 -3.139 3.250) 6.451 11.899 ( -4.605 3.139 3.250) 6.451 14.009 ( 12.566 -3.958 0.007) 13.175 14.009 ( 12.566 3.958 0.007) 13.175 14.186 ( 12.073 -3.587 -0.433) 12.602 14.186 ( 12.073 3.587 -0.433) 12.602 14.811 ( -8.380 -0.780 -14.446) 16.719 14.811 ( -8.380 0.780 -14.446) 16.719 15.721 ( -2.732 -5.027 6.954) 9.005 15.721 ( -2.732 5.027 6.954) 9.005 20.137 ( 4.728 -0.324 -1.466) 4.960 20.137 ( 4.728 0.324 -1.466) 4.960 22.351 ( -2.062 -1.825 7.282) 7.785 22.351 ( -2.062 1.825 7.282) 7.785 ======================= Grid point 153 (78/160) ======================= q-point: (-0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -5.379 -6.073 4.520) 9.287 1.534 ( -5.379 6.073 4.520) 9.287 1.864 ( 2.306 -10.242 -5.713) 11.952 1.864 ( 2.306 10.242 -5.713) 11.952 2.104 ( -2.518 -3.972 0.049) 4.703 2.104 ( -2.518 3.972 0.049) 4.703 2.258 ( 8.932 -1.891 1.255) 9.216 2.258 ( 8.932 1.891 1.255) 9.216 2.381 ( 2.294 -3.594 -2.322) 4.855 2.381 ( 2.294 3.594 -2.322) 4.855 2.524 ( 1.507 -9.734 9.555) 13.723 2.524 ( 1.507 9.734 9.555) 13.723 3.085 ( 9.120 -3.738 -23.154) 25.164 3.085 ( 9.120 3.738 -23.154) 25.164 3.648 ( 9.119 -8.533 1.637) 12.596 3.648 ( 9.119 8.533 1.637) 12.596 3.810 ( 11.469 -6.897 -7.580) 15.381 3.810 ( 11.469 6.897 -7.580) 15.381 3.946 ( 13.365 -13.148 -1.286) 18.792 3.946 ( 13.365 13.148 -1.286) 18.792 4.665 ( -7.670 -10.024 -0.955) 12.658 4.665 ( -7.670 10.024 -0.955) 12.658 4.830 ( -10.335 -10.624 5.481) 15.803 4.830 ( -10.335 10.624 5.481) 15.803 5.114 ( 10.089 -9.485 1.387) 13.917 5.114 ( 10.089 9.485 1.387) 13.917 5.701 ( 0.373 -3.724 -4.873) 6.144 5.701 ( 0.373 3.724 -4.873) 6.144 5.876 ( -2.144 -2.933 3.493) 5.040 5.876 ( -2.144 2.933 3.493) 5.040 6.364 ( 1.892 -4.781 -1.324) 5.310 6.364 ( 1.892 4.781 -1.324) 5.310 6.722 ( 3.684 -7.499 -2.388) 8.690 6.722 ( 3.684 7.499 -2.388) 8.690 7.312 ( -3.887 -0.782 -7.432) 8.423 7.312 ( -3.887 0.782 -7.432) 8.423 9.095 ( -7.240 -6.169 0.678) 9.536 9.095 ( -7.240 6.169 0.678) 9.536 9.245 ( -8.070 -5.523 0.352) 9.785 9.245 ( -8.070 5.523 0.352) 9.785 9.593 ( 3.503 -15.432 -0.186) 15.826 9.593 ( 3.503 15.432 -0.186) 15.826 10.013 ( 9.564 -1.374 5.734) 11.236 10.013 ( 9.564 1.374 5.734) 11.236 11.641 ( -11.966 -3.836 2.031) 12.729 11.641 ( -11.966 3.836 2.031) 12.729 11.823 ( -8.553 -5.349 2.486) 10.390 11.823 ( -8.553 5.349 2.486) 10.390 14.282 ( 16.573 -4.826 -0.825) 17.281 14.282 ( 16.573 4.826 -0.825) 17.281 14.400 ( 4.326 -3.351 -3.262) 6.371 14.400 ( 4.326 3.351 -3.262) 6.371 14.542 ( 6.928 -6.498 -6.580) 11.555 14.542 ( 6.928 6.498 -6.580) 11.555 15.724 ( -4.607 -9.639 4.155) 11.463 15.724 ( -4.607 9.639 4.155) 11.463 20.231 ( 7.319 -2.296 -0.245) 7.675 20.231 ( 7.319 2.296 -0.245) 7.675 22.373 ( -4.278 -3.637 5.126) 7.602 22.373 ( -4.278 3.637 5.126) 7.602 ======================= Grid point 155 (79/160) ======================= q-point: (-0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 3.463 -7.163 11.098) 13.655 1.617 ( 3.463 7.163 11.098) 13.655 1.855 ( 1.619 -12.357 -3.298) 12.892 1.855 ( 1.619 12.357 -3.298) 12.892 2.054 ( -2.717 -4.828 -0.322) 5.549 2.054 ( -2.717 4.828 -0.322) 5.549 2.284 ( -1.087 -3.253 -2.973) 4.539 2.284 ( -1.087 3.253 -2.973) 4.539 2.507 ( 5.940 -5.686 1.471) 8.353 2.507 ( 5.940 5.686 1.471) 8.353 2.680 ( 6.074 -7.474 2.431) 9.933 2.680 ( 6.074 7.474 2.431) 9.933 2.996 ( 9.455 -4.009 -9.919) 14.278 2.996 ( 9.455 4.009 -9.919) 14.278 3.671 ( -4.594 -9.505 2.349) 10.815 3.671 ( -4.594 9.505 2.349) 10.815 3.930 ( 10.459 -10.055 -7.640) 16.397 3.930 ( 10.459 10.055 -7.640) 16.397 4.199 ( 9.426 -5.331 4.353) 11.671 4.199 ( 9.426 5.331 4.353) 11.671 4.556 ( -3.017 -7.497 1.208) 8.171 4.556 ( -3.017 7.497 1.208) 8.171 4.792 ( 2.415 -6.445 0.754) 6.924 4.792 ( 2.415 6.445 0.754) 6.924 5.367 ( 11.079 -7.506 8.333) 15.765 5.367 ( 11.079 7.506 8.333) 15.765 5.531 ( -2.875 -4.977 -13.563) 14.731 5.531 ( -2.875 4.977 -13.563) 14.731 5.963 ( 1.931 -0.819 6.550) 6.878 5.963 ( 1.931 0.819 6.550) 6.878 6.370 ( 0.993 -2.548 -1.301) 3.028 6.370 ( 0.993 2.548 -1.301) 3.028 6.711 ( -1.254 -8.522 -4.446) 9.693 6.711 ( -1.254 8.522 -4.446) 9.693 7.187 ( -4.665 -2.903 -0.290) 5.502 7.187 ( -4.665 2.903 -0.290) 5.502 8.967 ( -10.097 -8.070 0.924) 12.959 8.967 ( -10.097 8.070 0.924) 12.959 9.117 ( -3.989 -4.195 -2.578) 6.337 9.117 ( -3.989 4.195 -2.578) 6.337 9.640 ( 2.957 -16.917 -0.977) 17.202 9.640 ( 2.957 16.917 -0.977) 17.202 10.250 ( 11.819 -4.494 3.736) 13.185 10.250 ( 11.819 4.494 3.736) 13.185 11.444 ( -13.465 -6.628 1.124) 15.049 11.444 ( -13.465 6.628 1.124) 15.049 11.682 ( -10.732 -7.064 0.736) 12.870 11.682 ( -10.732 7.064 0.736) 12.870 14.081 ( -15.726 -0.758 -3.242) 16.075 14.081 ( -15.726 0.758 -3.242) 16.075 14.691 ( 23.291 -13.775 0.171) 27.060 14.691 ( 23.291 13.775 0.171) 27.060 14.865 ( 23.852 -14.460 -0.493) 27.897 14.865 ( 23.852 14.460 -0.493) 27.897 15.668 ( -5.913 -12.844 0.982) 14.174 15.668 ( -5.913 12.844 0.982) 14.174 20.347 ( 5.969 -3.344 0.538) 6.863 20.347 ( 5.969 3.344 0.538) 6.863 22.329 ( -5.367 -5.487 1.324) 7.789 22.329 ( -5.367 5.487 1.324) 7.789 ======================= Grid point 157 (80/160) ======================= q-point: (-0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -2.202 -3.604 -2.400) 4.857 1.783 ( -2.202 3.604 -2.400) 4.857 1.846 ( 3.385 -9.819 6.834) 12.433 1.846 ( 3.385 9.819 6.834) 12.433 2.046 ( 2.267 -2.525 1.972) 3.925 2.046 ( 2.267 2.525 1.972) 3.925 2.226 ( -2.790 -1.701 -0.558) 3.315 2.226 ( -2.790 1.701 -0.558) 3.315 2.450 ( 0.454 -10.529 -14.813) 18.180 2.450 ( 0.454 10.529 -14.813) 18.180 2.786 ( 7.490 -5.807 -2.822) 9.889 2.786 ( 7.490 5.807 -2.822) 9.889 3.206 ( 3.869 -3.649 19.469) 20.182 3.206 ( 3.869 3.649 19.469) 20.182 3.596 ( -4.375 -11.157 -0.075) 11.984 3.596 ( -4.375 11.157 -0.075) 11.984 4.010 ( 7.272 -13.623 -3.867) 15.919 4.010 ( 7.272 13.623 -3.867) 15.919 4.241 ( -3.989 -11.846 1.851) 12.635 4.241 ( -3.989 11.846 1.851) 12.635 4.580 ( -3.762 -8.441 6.713) 11.422 4.580 ( -3.762 8.441 6.713) 11.422 4.963 ( 15.489 -5.006 -1.300) 16.330 4.963 ( 15.489 5.006 -1.300) 16.330 5.287 ( 0.044 -6.918 -12.994) 14.721 5.287 ( 0.044 6.918 -12.994) 14.721 5.685 ( 8.147 -4.440 6.841) 11.527 5.685 ( 8.147 4.440 6.841) 11.527 6.006 ( -1.576 -4.791 -0.030) 5.044 6.006 ( -1.576 4.791 -0.030) 5.044 6.377 ( -0.040 -7.627 1.045) 7.698 6.377 ( -0.040 7.627 1.045) 7.698 6.615 ( -3.359 -5.891 -1.546) 6.955 6.615 ( -3.359 5.891 -1.546) 6.955 7.157 ( -2.274 -4.442 3.690) 6.206 7.157 ( -2.274 4.442 3.690) 6.206 8.803 ( -9.566 -8.591 0.982) 12.895 8.803 ( -9.566 8.591 0.982) 12.895 9.086 ( 2.052 -9.882 -1.065) 10.149 9.086 ( 2.052 9.882 -1.065) 10.149 9.667 ( 1.520 -18.378 -0.494) 18.447 9.667 ( 1.520 18.378 -0.494) 18.447 10.452 ( 9.772 -6.680 -0.732) 11.860 10.452 ( 9.772 6.680 -0.732) 11.860 11.258 ( -9.953 -6.361 0.738) 11.835 11.258 ( -9.953 6.361 0.738) 11.835 11.509 ( -8.825 -6.870 -1.353) 11.265 11.509 ( -8.825 6.870 -1.353) 11.265 13.878 ( -9.599 -0.914 5.957) 11.334 13.878 ( -9.599 0.914 5.957) 11.334 15.035 ( 17.726 -15.804 -0.348) 23.751 15.035 ( 17.726 15.804 -0.348) 23.751 15.203 ( 15.842 -16.484 -0.151) 22.863 15.203 ( 15.842 16.484 -0.151) 22.863 15.556 ( -6.427 -14.107 -2.558) 15.711 15.556 ( -6.427 14.107 -2.558) 15.711 20.423 ( 2.518 -2.408 0.569) 3.530 20.423 ( 2.518 2.408 0.569) 3.530 22.240 ( -3.932 -6.773 -2.884) 8.346 22.240 ( -3.932 6.773 -2.884) 8.346 ======================= Grid point 189 (81/160) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 3.192 0.000 7.828) 8.454 0.815 ( -10.580 0.000 2.737) 10.928 0.989 ( 14.046 0.000 17.740) 22.627 1.680 ( -4.135 0.000 -12.480) 13.147 1.877 ( 4.381 0.000 11.221) 12.046 2.161 ( -8.180 0.000 37.562) 38.443 2.263 ( -8.197 0.000 -4.323) 9.268 2.279 ( 7.184 0.000 7.608) 10.463 2.437 ( -3.720 0.000 4.869) 6.128 2.642 ( 1.637 0.000 -0.026) 1.638 2.646 ( 0.261 0.000 -9.359) 9.363 2.796 ( 0.260 0.000 -8.882) 8.886 2.985 ( 5.639 0.000 10.604) 12.010 3.026 ( 3.593 0.000 -0.989) 3.727 3.183 ( 17.882 0.000 2.330) 18.034 3.348 ( -7.300 0.000 5.054) 8.879 3.571 ( -5.864 0.000 9.324) 11.014 3.598 ( -5.715 0.000 -6.445) 8.614 3.665 ( -6.233 0.000 -10.136) 11.899 3.837 ( -2.492 0.000 11.678) 11.941 3.952 ( -2.790 0.000 -14.611) 14.875 4.039 ( -0.494 0.000 19.214) 19.221 4.394 ( -6.832 0.000 8.870) 11.196 4.749 ( 7.911 0.000 -6.734) 10.389 4.772 ( -2.160 0.000 8.173) 8.454 4.926 ( -1.581 0.000 1.994) 2.544 5.200 ( 10.584 0.000 0.474) 10.595 5.277 ( -0.364 0.000 -4.761) 4.774 5.421 ( -2.173 0.000 -1.229) 2.496 5.969 ( -3.467 0.000 -10.389) 10.953 6.065 ( 6.684 0.000 13.563) 15.121 6.350 ( 7.913 0.000 -5.527) 9.653 6.461 ( -3.358 0.000 -6.578) 7.386 6.703 ( -13.212 0.000 -12.380) 18.106 7.215 ( 5.438 0.000 7.146) 8.980 7.443 ( -1.547 0.000 -5.894) 6.094 8.423 ( -2.351 0.000 3.716) 4.398 8.703 ( 2.385 0.000 -10.515) 10.782 8.871 ( 9.877 0.000 7.559) 12.437 9.382 ( -2.564 0.000 -15.463) 15.674 9.812 ( 0.793 0.000 12.688) 12.713 10.199 ( 0.332 0.000 -6.612) 6.620 10.514 ( -2.928 0.000 9.984) 10.405 10.824 ( -8.437 0.000 0.001) 8.437 10.894 ( -0.219 0.000 11.547) 11.549 11.150 ( 4.403 0.000 9.810) 10.753 11.484 ( 0.922 0.000 -12.867) 12.900 11.653 ( -0.644 0.000 -11.506) 11.524 13.808 ( 0.171 0.000 2.477) 2.482 13.903 ( -0.270 0.000 -1.969) 1.988 14.314 ( -1.176 0.000 16.170) 16.212 14.381 ( 4.540 0.000 -0.505) 4.568 14.496 ( -0.551 0.000 9.807) 9.822 15.438 ( -0.296 0.000 -19.831) 19.833 15.914 ( -0.403 0.000 1.516) 1.569 15.981 ( 0.325 0.000 -1.666) 1.698 19.744 ( -2.105 0.000 1.786) 2.760 19.745 ( 1.115 0.000 1.928) 2.228 22.377 ( 0.413 0.000 0.369) 0.554 22.559 ( -0.271 0.000 -8.186) 8.190 ======================= Grid point 190 (82/160) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 8.243 0.000 1.570) 8.391 0.912 ( 11.300 0.000 2.709) 11.620 1.486 ( 18.479 0.000 13.842) 23.088 1.517 ( 5.951 0.000 -14.446) 15.624 2.082 ( -4.397 0.000 -7.609) 8.788 2.089 ( 3.816 0.000 11.741) 12.345 2.344 ( -6.868 0.000 13.086) 14.779 2.451 ( -2.437 0.000 5.069) 5.625 2.487 ( 2.549 0.000 9.521) 9.856 2.570 ( 5.693 0.000 -11.633) 12.952 2.657 ( -2.116 0.000 5.989) 6.352 2.715 ( 1.020 0.000 -8.878) 8.937 2.996 ( -12.836 0.000 -4.946) 13.756 3.109 ( -4.007 0.000 -5.196) 6.561 3.320 ( -7.668 0.000 -11.360) 13.706 3.338 ( 6.506 0.000 16.827) 18.041 3.449 ( 0.799 0.000 1.026) 1.300 3.463 ( 3.854 0.000 4.467) 5.900 3.652 ( 4.379 0.000 6.816) 8.102 3.832 ( 1.808 0.000 -5.694) 5.974 4.052 ( 8.131 0.000 13.950) 16.146 4.266 ( 11.715 0.000 2.623) 12.005 4.430 ( -0.340 0.000 8.102) 8.109 4.774 ( 5.448 0.000 -6.908) 8.797 4.776 ( -4.617 0.000 3.523) 5.807 4.980 ( 2.316 0.000 5.231) 5.721 5.176 ( -4.125 0.000 -9.687) 10.529 5.304 ( 3.265 0.000 -3.918) 5.100 5.697 ( 21.338 0.000 17.643) 27.687 5.858 ( 7.106 0.000 -13.713) 15.444 6.194 ( -7.286 0.000 -1.285) 7.399 6.364 ( 3.161 0.000 -7.407) 8.053 6.408 ( -3.346 0.000 -13.995) 14.389 6.554 ( 14.977 0.000 14.070) 20.549 7.368 ( 4.797 0.000 4.310) 6.449 7.386 ( 3.855 0.000 -5.808) 6.971 8.414 ( -4.640 0.000 5.595) 7.269 8.619 ( 0.535 0.000 -8.615) 8.631 8.997 ( -6.038 0.000 10.691) 12.278 9.039 ( -13.888 0.000 -18.785) 23.361 9.934 ( -2.351 0.000 10.683) 10.939 10.073 ( -4.422 0.000 -9.264) 10.266 10.576 ( -4.322 0.000 12.464) 13.192 10.653 ( -11.082 0.000 -2.229) 11.304 11.156 ( 13.034 0.000 12.377) 17.974 11.377 ( 6.754 0.000 10.974) 12.886 11.394 ( 5.529 0.000 -14.323) 15.353 11.538 ( 5.122 0.000 -12.333) 13.355 13.904 ( 7.823 0.000 2.711) 8.279 13.934 ( 7.108 0.000 -2.410) 7.505 14.373 ( 2.715 0.000 -0.901) 2.860 14.459 ( 5.984 0.000 0.782) 6.035 14.800 ( 5.661 0.000 26.614) 27.209 15.199 ( 2.972 0.000 -24.367) 24.548 15.894 ( -4.401 0.000 1.749) 4.736 15.937 ( -3.438 0.000 -1.750) 3.858 19.823 ( 9.351 0.000 0.742) 9.380 19.871 ( 11.401 0.000 1.161) 11.460 22.387 ( -1.455 0.000 2.747) 3.108 22.453 ( -1.980 0.000 -6.786) 7.069 ======================= Grid point 191 (83/160) ======================= q-point: ( 0.20 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 14.778 0.000 -1.013) 14.812 1.141 ( 15.216 0.000 -0.499) 15.224 1.580 ( 13.787 0.000 -4.713) 14.571 1.810 ( 6.217 0.000 6.531) 9.017 1.940 ( -2.211 0.000 -7.985) 8.285 2.213 ( -0.805 0.000 2.611) 2.733 2.281 ( -7.455 0.000 0.392) 7.465 2.345 ( -13.545 0.000 2.163) 13.716 2.494 ( -11.813 0.000 -9.179) 14.960 2.541 ( -10.386 0.000 -6.500) 12.252 2.640 ( 2.421 0.000 8.007) 8.365 2.646 ( -0.355 0.000 -5.608) 5.620 2.702 ( -5.976 0.000 6.651) 8.941 2.985 ( -2.739 0.000 1.771) 3.262 3.182 ( 4.993 0.000 -9.351) 10.601 3.505 ( -2.163 0.000 6.692) 7.033 3.677 ( 16.973 0.000 -2.482) 17.154 3.778 ( 18.487 0.000 4.979) 19.145 3.848 ( 10.153 0.000 8.265) 13.091 3.903 ( 16.027 0.000 3.645) 16.436 4.355 ( 10.772 0.000 7.128) 12.917 4.365 ( 7.069 0.000 -9.424) 11.781 4.482 ( -0.839 0.000 -7.992) 8.035 4.777 ( 2.051 0.000 -7.529) 7.803 4.825 ( 5.373 0.000 8.759) 10.275 4.920 ( -6.189 0.000 -10.037) 11.792 5.063 ( -0.201 0.000 3.487) 3.493 5.335 ( 1.692 0.000 3.047) 3.485 5.892 ( 10.737 0.000 -7.061) 12.850 6.009 ( -10.235 0.000 -2.077) 10.443 6.190 ( -5.065 0.000 -10.619) 11.765 6.242 ( 16.407 0.000 14.842) 22.124 6.386 ( 8.792 0.000 -7.471) 11.538 6.935 ( 7.794 0.000 9.835) 12.549 7.440 ( 10.839 0.000 -6.005) 12.391 7.499 ( 7.031 0.000 3.853) 8.017 8.433 ( -2.718 0.000 9.918) 10.284 8.517 ( -1.707 0.000 -7.462) 7.654 8.634 ( -7.691 0.000 -12.229) 14.447 8.979 ( -11.106 0.000 12.585) 16.784 9.860 ( -7.052 0.000 -10.474) 12.627 9.983 ( -5.134 0.000 8.468) 9.903 10.423 ( -11.636 0.000 -4.631) 12.523 10.619 ( -7.981 0.000 9.242) 12.211 11.345 ( 8.837 0.000 -11.588) 14.573 11.517 ( 12.629 0.000 11.104) 16.817 11.550 ( 10.063 0.000 -8.590) 13.231 11.592 ( 5.409 0.000 8.818) 10.344 14.079 ( 13.871 0.000 -2.318) 14.063 14.118 ( 14.485 0.000 2.447) 14.691 14.443 ( 8.872 0.000 -3.229) 9.441 14.605 ( 10.385 0.000 1.098) 10.443 14.996 ( 6.800 0.000 -24.101) 25.042 15.178 ( 4.454 0.000 22.022) 22.468 15.809 ( -8.726 0.000 2.066) 8.967 15.824 ( -7.914 0.000 -1.897) 8.138 20.047 ( 16.678 0.000 0.266) 16.680 20.114 ( 16.975 0.000 -0.479) 16.981 22.345 ( -3.602 0.000 -3.729) 5.185 22.391 ( -3.924 0.000 5.633) 6.865 ======================= Grid point 192 (84/160) ======================= q-point: ( 0.30 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 13.107 0.000 -5.933) 14.387 1.381 ( 15.652 0.000 -3.538) 16.047 1.775 ( 11.968 0.000 -0.826) 11.996 1.795 ( -14.912 0.000 -1.245) 14.964 1.827 ( -1.877 0.000 -5.368) 5.687 2.034 ( -5.257 0.000 -3.678) 6.416 2.128 ( -12.616 0.000 -0.152) 12.617 2.234 ( -0.766 0.000 -3.371) 3.457 2.272 ( -2.262 0.000 3.759) 4.387 2.455 ( -3.546 0.000 1.619) 3.898 2.543 ( -15.537 0.000 3.911) 16.022 2.645 ( -0.560 0.000 1.773) 1.859 2.744 ( -3.523 0.000 7.371) 8.170 3.077 ( 0.103 0.000 10.839) 10.840 3.257 ( 14.080 0.000 -5.540) 15.130 3.488 ( -4.024 0.000 0.825) 4.108 3.904 ( 25.792 0.000 -20.414) 32.893 3.943 ( 10.423 0.000 -4.538) 11.368 4.106 ( 4.833 0.000 10.694) 11.736 4.270 ( 4.964 0.000 -17.731) 18.413 4.315 ( 7.764 0.000 -24.675) 25.867 4.415 ( 5.470 0.000 -4.120) 6.848 4.492 ( 21.267 0.000 4.061) 21.651 4.579 ( -6.011 0.000 -6.844) 9.109 4.944 ( 9.837 0.000 3.559) 10.461 5.003 ( 5.926 0.000 1.826) 6.201 5.168 ( 0.865 0.000 12.668) 12.697 5.413 ( 0.858 0.000 5.543) 5.609 5.840 ( -6.950 0.000 -2.264) 7.309 5.961 ( 2.959 0.000 -5.281) 6.053 5.999 ( -7.277 0.000 -2.261) 7.620 6.458 ( -4.687 0.000 5.603) 7.305 6.474 ( 10.381 0.000 -5.089) 11.561 7.005 ( -2.213 0.000 0.815) 2.358 7.585 ( 13.951 0.000 -5.092) 14.851 7.633 ( 3.751 0.000 1.475) 4.030 8.403 ( -1.650 0.000 -6.751) 6.950 8.560 ( 0.124 0.000 10.768) 10.768 8.631 ( 10.602 0.000 5.420) 11.907 8.956 ( -9.593 0.000 13.441) 16.513 9.639 ( -5.034 0.000 -7.801) 9.284 9.949 ( -8.976 0.000 4.878) 10.216 10.206 ( -6.697 0.000 -4.722) 8.194 10.502 ( -12.238 0.000 0.576) 12.252 11.428 ( 11.136 0.000 -4.409) 11.977 11.647 ( 9.820 0.000 -3.212) 10.332 11.716 ( 1.603 0.000 5.337) 5.573 11.817 ( 7.522 0.000 8.546) 11.385 14.325 ( 18.902 0.000 -1.915) 18.999 14.421 ( 19.115 0.000 1.770) 19.197 14.569 ( 12.153 0.000 -6.093) 13.595 14.785 ( 12.050 0.000 -8.420) 14.700 14.899 ( 10.255 0.000 -10.744) 14.853 15.407 ( -2.220 0.000 13.557) 13.737 15.632 ( -12.767 0.000 -2.052) 12.931 15.657 ( -12.938 0.000 2.623) 13.201 20.341 ( 17.956 0.000 -0.163) 17.957 20.387 ( 17.371 0.000 -1.739) 17.458 22.262 ( -3.781 0.000 0.623) 3.832 22.387 ( -6.318 0.000 8.063) 10.243 ======================= Grid point 193 (85/160) ======================= q-point: ( 0.40 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 9.140 0.000 -5.822) 10.837 1.504 ( 7.415 0.000 -10.086) 12.519 1.517 ( -12.983 0.000 1.516) 13.071 1.793 ( 5.026 0.000 -3.983) 6.413 1.907 ( 6.039 0.000 -6.889) 9.161 1.987 ( -4.868 0.000 6.828) 8.386 2.028 ( 1.557 0.000 1.057) 1.882 2.205 ( -0.458 0.000 -0.340) 0.570 2.334 ( 3.211 0.000 1.843) 3.702 2.348 ( -15.997 0.000 9.061) 18.385 2.442 ( 0.086 0.000 3.543) 3.544 2.675 ( 0.033 0.000 6.038) 6.038 2.696 ( -8.255 0.000 1.840) 8.457 3.092 ( -10.910 0.000 5.257) 12.110 3.449 ( 12.765 0.000 -5.389) 13.856 3.477 ( 1.187 0.000 1.581) 1.977 3.839 ( 2.794 0.000 -24.803) 24.960 3.909 ( -1.783 0.000 -34.525) 34.571 4.047 ( 8.425 0.000 -5.383) 9.997 4.233 ( -1.468 0.000 4.263) 4.509 4.432 ( 28.482 0.000 -6.923) 29.311 4.441 ( -1.258 0.000 -2.666) 2.948 4.495 ( 10.130 0.000 -6.101) 11.825 4.941 ( 14.159 0.000 8.052) 16.289 5.061 ( 1.514 0.000 -0.487) 1.591 5.147 ( 9.648 0.000 1.289) 9.734 5.254 ( -9.151 0.000 5.393) 10.622 5.482 ( 1.458 0.000 3.588) 3.873 5.735 ( -2.696 0.000 -2.025) 3.372 5.819 ( -7.470 0.000 -2.351) 7.831 6.014 ( 5.812 0.000 3.543) 6.807 6.312 ( -15.624 0.000 2.937) 15.898 6.593 ( 9.393 0.000 -2.832) 9.810 6.954 ( -2.988 0.000 -2.498) 3.895 7.695 ( 2.728 0.000 1.744) 3.238 7.740 ( 9.547 0.000 -3.308) 10.103 8.332 ( 2.571 0.000 -5.711) 6.263 8.571 ( -9.031 0.000 0.812) 9.068 8.903 ( 9.937 0.000 7.911) 12.701 8.966 ( -8.568 0.000 13.000) 15.569 9.604 ( 5.150 0.000 2.341) 5.657 9.835 ( -6.756 0.000 1.208) 6.863 10.108 ( -1.533 0.000 -2.250) 2.723 10.277 ( -12.089 0.000 -3.621) 12.620 11.563 ( 9.026 0.000 -1.667) 9.179 11.748 ( -2.437 0.000 1.770) 3.012 11.788 ( 8.335 0.000 1.590) 8.486 11.965 ( 0.470 0.000 5.556) 5.575 14.634 ( 20.271 0.000 -3.178) 20.519 14.669 ( 10.100 0.000 -6.805) 12.179 14.720 ( 11.166 0.000 -9.237) 14.492 14.807 ( 15.649 0.000 -4.003) 16.153 15.099 ( 14.467 0.000 0.902) 14.495 15.366 ( -16.213 0.000 -2.112) 16.350 15.382 ( -14.355 0.000 3.873) 14.868 15.483 ( -12.590 0.000 5.680) 13.812 20.583 ( 11.199 0.000 -0.868) 11.232 20.614 ( 12.158 0.000 -2.243) 12.363 22.255 ( -0.304 0.000 4.711) 4.721 22.369 ( -7.352 0.000 8.402) 11.165 ======================= Grid point 194 (86/160) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -7.496 0.000 0.757) 7.534 1.409 ( 3.134 0.000 -4.959) 5.866 1.432 ( -2.336 0.000 -7.123) 7.496 1.789 ( 10.042 0.000 -18.379) 20.943 1.956 ( 4.032 0.000 6.622) 7.753 2.053 ( -1.165 0.000 1.589) 1.970 2.060 ( -0.192 0.000 5.234) 5.237 2.183 ( 0.672 0.000 0.327) 0.747 2.260 ( -7.887 0.000 9.838) 12.610 2.405 ( 5.152 0.000 -1.688) 5.421 2.563 ( -7.957 0.000 0.980) 8.017 2.579 ( 5.977 0.000 10.427) 12.019 2.826 ( 9.396 0.000 7.540) 12.047 2.917 ( -11.602 0.000 0.011) 11.602 3.277 ( -0.041 0.000 -31.647) 31.647 3.404 ( -1.423 0.000 -21.136) 21.184 3.631 ( -6.180 0.000 -0.996) 6.260 3.818 ( 9.164 0.000 0.334) 9.170 4.059 ( -3.677 0.000 -0.999) 3.810 4.149 ( -10.460 0.000 -1.695) 10.597 4.476 ( 9.170 0.000 -3.255) 9.731 4.571 ( 7.991 0.000 -5.893) 9.929 4.849 ( 23.774 0.000 -0.616) 23.782 4.919 ( -28.464 0.000 -4.508) 28.819 5.057 ( -4.266 0.000 3.184) 5.323 5.137 ( 1.564 0.000 5.700) 5.910 5.249 ( -1.951 0.000 3.252) 3.792 5.519 ( 0.620 0.000 -3.487) 3.542 5.724 ( -4.848 0.000 3.391) 5.916 5.742 ( 3.655 0.000 4.483) 5.784 6.087 ( -13.295 0.000 0.955) 13.329 6.270 ( 21.559 0.000 -2.048) 21.656 6.707 ( 6.927 0.000 -0.785) 6.972 6.844 ( -4.759 0.000 -5.566) 7.323 7.749 ( 0.625 0.000 0.717) 0.952 7.790 ( 0.443 0.000 -2.344) 2.386 8.350 ( -12.739 0.000 -2.841) 13.052 8.378 ( 9.722 0.000 -3.398) 10.299 8.957 ( -9.601 0.000 11.360) 14.874 9.116 ( 6.539 0.000 6.613) 9.300 9.764 ( 5.991 0.000 3.593) 6.986 9.781 ( -4.041 0.000 2.336) 4.668 10.063 ( -6.915 0.000 -3.698) 7.842 10.095 ( 4.180 0.000 -2.584) 4.914 11.678 ( 6.275 0.000 -0.072) 6.276 11.683 ( -6.181 0.000 -0.416) 6.195 11.941 ( 6.082 0.000 3.571) 7.053 11.962 ( -6.320 0.000 2.631) 6.846 14.648 ( 1.026 0.000 -8.627) 8.688 14.653 ( -1.096 0.000 -8.943) 9.010 14.967 ( 17.480 0.000 -0.233) 17.482 14.998 ( -15.350 0.000 -1.692) 15.443 15.126 ( -16.936 0.000 1.673) 17.019 15.155 ( 15.756 0.000 0.277) 15.759 15.315 ( -15.406 0.000 3.789) 15.865 15.375 ( 14.518 0.000 0.939) 14.549 20.662 ( -0.561 0.000 -0.432) 0.708 20.700 ( 1.028 0.000 -2.458) 2.664 22.349 ( -5.145 0.000 6.150) 8.019 22.360 ( 5.246 0.000 5.555) 7.640 ======================= Grid point 195 (87/160) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -19.949 0.000 -7.798) 21.419 1.278 ( -8.827 0.000 -3.896) 9.649 1.416 ( -1.927 0.000 1.941) 2.735 1.771 ( 10.218 0.000 -12.599) 16.221 1.982 ( -6.398 0.000 -2.209) 6.768 2.081 ( -1.481 0.000 3.562) 3.858 2.120 ( 5.975 0.000 3.798) 7.080 2.279 ( -1.820 0.000 4.550) 4.901 2.345 ( 13.002 0.000 0.886) 13.032 2.468 ( 7.493 0.000 -0.796) 7.536 2.522 ( -2.980 0.000 8.648) 9.147 2.777 ( -4.306 0.000 0.144) 4.308 2.809 ( 3.670 0.000 10.580) 11.199 3.023 ( 5.327 0.000 -16.216) 17.068 3.075 ( -2.374 0.000 -23.723) 23.841 3.126 ( 16.162 0.000 5.535) 17.084 3.505 ( -13.846 0.000 3.566) 14.298 3.884 ( -6.737 0.000 -7.473) 10.061 3.891 ( -16.918 0.000 -1.545) 16.988 3.988 ( -3.885 0.000 13.085) 13.650 4.327 ( -34.814 0.000 -2.285) 34.889 4.595 ( 10.919 0.000 -7.649) 13.331 4.606 ( 5.331 0.000 -7.414) 9.132 4.988 ( -11.395 0.000 5.815) 12.793 5.013 ( -12.170 0.000 4.717) 13.052 5.126 ( -9.378 0.000 -2.035) 9.596 5.241 ( -1.647 0.000 9.581) 9.722 5.505 ( 10.633 0.000 -6.656) 12.544 5.719 ( -0.101 0.000 2.128) 2.131 5.892 ( 4.960 0.000 -2.676) 5.636 5.942 ( -3.210 0.000 4.486) 5.517 6.584 ( 22.027 0.000 -8.391) 23.571 6.685 ( -5.478 0.000 -6.384) 8.412 6.803 ( 3.978 0.000 2.722) 4.820 7.675 ( -10.286 0.000 -1.160) 10.351 7.726 ( -4.540 0.000 -1.307) 4.724 8.188 ( -4.338 0.000 0.833) 4.417 8.558 ( 14.169 0.000 -0.411) 14.175 8.921 ( -9.392 0.000 9.063) 13.052 9.311 ( 10.446 0.000 4.762) 11.480 9.698 ( -7.995 0.000 -0.217) 7.998 9.758 ( -4.205 0.000 -3.349) 5.376 10.062 ( 5.733 0.000 1.635) 5.961 10.200 ( 10.031 0.000 -0.433) 10.041 11.548 ( -9.001 0.000 -1.051) 9.062 11.766 ( 3.935 0.000 0.808) 4.017 11.836 ( -10.891 0.000 0.846) 10.924 12.046 ( 1.957 0.000 2.501) 3.175 14.485 ( -10.928 0.000 -3.372) 11.436 14.504 ( -8.746 0.000 -4.669) 9.914 14.667 ( -18.379 0.000 -2.434) 18.539 14.787 ( -20.754 0.000 1.173) 20.788 15.073 ( -16.175 0.000 1.980) 16.295 15.308 ( 17.148 0.000 0.550) 17.157 15.445 ( 16.249 0.000 0.016) 16.249 15.606 ( 12.187 0.000 0.228) 12.189 20.573 ( -9.677 0.000 0.578) 9.694 20.588 ( -11.292 0.000 -1.753) 11.427 22.346 ( -1.218 0.000 2.265) 2.571 22.521 ( 7.502 0.000 2.728) 7.982 ======================= Grid point 196 (88/160) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -21.710 0.000 16.340) 27.172 1.053 ( -14.441 0.000 -1.932) 14.569 1.396 ( -6.895 0.000 7.429) 10.136 1.830 ( -7.541 0.000 -2.999) 8.116 1.855 ( 13.454 0.000 -6.320) 14.864 2.091 ( 1.167 0.000 -0.578) 1.302 2.200 ( 0.806 0.000 -0.545) 0.973 2.292 ( -0.592 0.000 2.766) 2.829 2.367 ( -2.032 0.000 -8.883) 9.112 2.586 ( -0.392 0.000 0.372) 0.540 2.714 ( 8.370 0.000 2.340) 8.691 2.775 ( 0.092 0.000 1.653) 1.655 2.839 ( -1.523 0.000 1.473) 2.119 2.950 ( 4.446 0.000 6.125) 7.568 3.067 ( 4.589 0.000 1.719) 4.900 3.260 ( -17.024 0.000 0.943) 17.051 3.400 ( 10.214 0.000 -1.614) 10.340 3.629 ( -15.852 0.000 4.877) 16.585 3.633 ( -13.081 0.000 -0.827) 13.107 3.808 ( -18.297 0.000 4.138) 18.759 4.167 ( 3.063 0.000 9.449) 9.933 4.583 ( 2.120 0.000 -6.115) 6.472 4.631 ( -31.103 0.000 0.868) 31.115 4.632 ( 7.738 0.000 -11.775) 14.090 4.857 ( -15.573 0.000 6.943) 17.051 4.916 ( -13.756 0.000 2.770) 14.032 5.350 ( 1.071 0.000 7.432) 7.509 5.561 ( 1.101 0.000 -8.259) 8.332 5.774 ( 5.441 0.000 0.792) 5.498 5.858 ( 1.083 0.000 -0.725) 1.303 6.020 ( 0.310 0.000 0.747) 0.809 6.553 ( -2.042 0.000 -4.223) 4.691 6.714 ( 6.350 0.000 -10.173) 11.992 6.934 ( 7.852 0.000 2.640) 8.284 7.419 ( -18.083 0.000 -0.090) 18.084 7.644 ( -4.439 0.000 0.514) 4.469 8.207 ( 2.577 0.000 3.005) 3.959 8.789 ( 11.107 0.000 -0.183) 11.108 8.850 ( -6.532 0.000 3.020) 7.196 9.516 ( 13.390 0.000 -11.778) 17.833 9.538 ( -8.705 0.000 -1.752) 8.880 9.740 ( 3.197 0.000 11.387) 11.827 10.173 ( 5.743 0.000 0.012) 5.743 10.379 ( 9.824 0.000 2.489) 10.135 11.379 ( -10.061 0.000 -0.830) 10.096 11.649 ( -12.071 0.000 0.003) 12.071 11.818 ( 1.449 0.000 0.162) 1.458 12.048 ( -3.020 0.000 -1.006) 3.183 14.235 ( -17.162 0.000 1.775) 17.254 14.286 ( -15.090 0.000 2.328) 15.269 14.372 ( -15.072 0.000 -1.071) 15.110 14.469 ( -18.911 0.000 0.606) 18.921 14.841 ( -13.906 0.000 1.315) 13.968 15.569 ( 13.352 0.000 0.898) 13.382 15.660 ( 10.178 0.000 -1.116) 10.239 15.770 ( 9.244 0.000 -1.611) 9.383 20.323 ( -18.295 0.000 -0.461) 18.301 20.382 ( -13.425 0.000 -0.268) 13.428 22.354 ( 1.145 0.000 -0.924) 1.471 22.642 ( 6.112 0.000 -1.511) 6.296 ======================= Grid point 197 (89/160) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -13.219 0.000 27.051) 30.108 0.791 ( -17.693 0.000 4.533) 18.265 1.355 ( -11.923 0.000 10.397) 15.820 1.711 ( -4.160 0.000 0.957) 4.269 1.956 ( 0.488 0.000 -2.165) 2.219 2.026 ( -38.029 0.000 13.367) 40.310 2.130 ( 1.640 0.000 -2.208) 2.750 2.227 ( 10.815 0.000 -1.384) 10.903 2.347 ( 4.569 0.000 4.110) 6.145 2.573 ( 2.268 0.000 -2.136) 3.116 2.684 ( 5.987 0.000 -8.376) 10.296 2.780 ( -1.529 0.000 -3.103) 3.460 2.930 ( -8.846 0.000 -0.708) 8.875 2.947 ( 4.584 0.000 -1.247) 4.750 3.187 ( -3.033 0.000 0.804) 3.138 3.320 ( 4.301 0.000 1.128) 4.446 3.336 ( 1.010 0.000 30.254) 30.271 3.504 ( -10.738 0.000 10.401) 14.949 3.614 ( 3.106 0.000 -1.137) 3.308 3.751 ( -2.140 0.000 8.267) 8.539 4.111 ( -30.540 0.000 -0.191) 30.541 4.319 ( 3.353 0.000 1.075) 3.521 4.559 ( -1.781 0.000 0.973) 2.030 4.625 ( 10.940 0.000 -11.544) 15.904 4.668 ( -13.369 0.000 4.778) 14.197 4.807 ( -7.856 0.000 9.456) 12.293 5.402 ( -7.974 0.000 -6.357) 10.198 5.404 ( -1.541 0.000 2.677) 3.089 5.807 ( -7.989 0.000 -2.878) 8.491 5.932 ( 11.421 0.000 1.765) 11.557 5.953 ( -6.331 0.000 0.347) 6.341 6.550 ( 7.314 0.000 -5.242) 8.999 6.593 ( -7.407 0.000 -8.219) 11.064 7.073 ( 6.603 0.000 0.383) 6.614 7.153 ( -15.483 0.000 4.346) 16.082 7.580 ( -5.081 0.000 0.500) 5.106 8.304 ( 3.889 0.000 3.498) 5.231 8.679 ( -7.890 0.000 -5.713) 9.742 8.916 ( 5.619 0.000 -10.270) 11.706 9.465 ( -1.133 0.000 7.188) 7.277 9.519 ( 8.901 0.000 -13.741) 16.372 10.046 ( 12.182 0.000 10.893) 16.342 10.247 ( 4.919 0.000 -1.313) 5.092 10.572 ( 7.610 0.000 6.470) 9.989 11.208 ( -9.109 0.000 -1.404) 9.216 11.429 ( -13.918 0.000 -3.618) 14.380 11.807 ( -2.177 0.000 -2.007) 2.961 11.932 ( -5.425 0.000 -5.983) 8.076 14.003 ( -13.800 0.000 2.094) 13.958 14.106 ( -14.397 0.000 9.373) 17.179 14.190 ( -9.706 0.000 8.336) 12.794 14.204 ( -14.503 0.000 2.197) 14.669 14.658 ( -9.693 0.000 0.302) 9.698 15.726 ( 2.820 0.000 -5.775) 6.426 15.759 ( 8.383 0.000 1.168) 8.463 15.889 ( 7.585 0.000 -1.754) 7.785 20.021 ( -17.695 0.000 0.752) 17.711 20.138 ( -14.042 0.000 -3.291) 14.422 22.361 ( 1.751 0.000 -2.026) 2.678 22.681 ( 3.564 0.000 -5.376) 6.450 ======================= Grid point 198 (90/160) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -10.341 0.000 13.082) 16.676 0.787 ( -9.585 0.000 13.853) 16.845 1.108 ( -25.065 0.000 1.248) 25.096 1.725 ( -0.739 0.000 8.538) 8.570 1.866 ( -19.361 0.000 44.733) 48.743 1.866 ( -5.783 0.000 -4.344) 7.233 2.136 ( 2.372 0.000 1.948) 3.069 2.332 ( 0.115 0.000 3.031) 3.033 2.539 ( -4.407 0.000 -4.438) 6.254 2.575 ( 5.868 0.000 3.150) 6.660 2.715 ( 6.486 0.000 -8.946) 11.050 2.771 ( 15.860 0.000 0.558) 15.870 2.901 ( 0.590 0.000 3.508) 3.557 2.903 ( -2.005 0.000 -7.152) 7.428 3.039 ( -2.743 0.000 -4.140) 4.966 3.450 ( -10.116 0.000 8.140) 12.984 3.606 ( -10.104 0.000 12.198) 15.839 3.608 ( 7.395 0.000 -0.517) 7.413 3.659 ( 9.796 0.000 2.654) 10.149 3.810 ( -4.360 0.000 8.235) 9.318 3.819 ( -8.556 0.000 22.592) 24.158 4.213 ( -4.168 0.000 -14.512) 15.099 4.457 ( -12.307 0.000 7.135) 14.225 4.673 ( 1.342 0.000 7.634) 7.751 4.711 ( 5.954 0.000 -4.634) 7.545 4.864 ( 6.366 0.000 1.583) 6.560 5.203 ( -6.384 0.000 -4.563) 7.848 5.369 ( -3.114 0.000 -3.039) 4.351 5.577 ( -9.525 0.000 -6.651) 11.617 5.912 ( -3.257 0.000 7.905) 8.549 6.106 ( 4.137 0.000 -0.990) 4.253 6.341 ( -7.960 0.000 -5.460) 9.653 6.572 ( 3.869 0.000 -10.236) 10.943 7.051 ( -9.236 0.000 -8.272) 12.399 7.077 ( -3.070 0.000 9.749) 10.221 7.510 ( -1.203 0.000 -1.312) 1.781 8.391 ( 1.413 0.000 3.383) 3.666 8.594 ( 7.415 0.000 1.237) 7.517 8.813 ( 2.376 0.000 -14.073) 14.272 9.500 ( 6.591 0.000 -13.094) 14.660 9.625 ( 3.298 0.000 12.969) 13.382 10.223 ( 3.429 0.000 -2.642) 4.329 10.385 ( 6.490 0.000 7.704) 10.074 10.771 ( 3.694 0.000 10.725) 11.343 11.023 ( -11.077 0.000 -6.443) 12.815 11.133 ( -14.605 0.000 4.002) 15.144 11.667 ( -6.633 0.000 -8.379) 10.687 11.788 ( -1.665 0.000 -8.508) 8.669 13.844 ( -7.567 0.000 1.714) 7.758 13.983 ( -7.511 0.000 -0.173) 7.513 14.138 ( -8.274 0.000 19.995) 21.640 14.269 ( 4.735 0.000 6.941) 8.402 14.530 ( -5.766 0.000 -0.438) 5.783 15.636 ( -0.444 0.000 -12.613) 12.621 15.871 ( 3.702 0.000 1.346) 3.939 15.965 ( 3.986 0.000 -1.657) 4.317 19.800 ( -10.206 0.000 1.658) 10.339 19.870 ( -13.242 0.000 -1.405) 13.316 22.367 ( 1.434 0.000 -1.346) 1.967 22.643 ( 1.419 0.000 -7.762) 7.891 ======================= Grid point 199 (91/160) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -7.362 15.462 12.580) 21.249 1.140 ( 9.503 16.788 7.212) 20.595 1.172 ( 0.377 27.304 1.731) 27.361 1.635 ( -0.923 -2.077 -6.726) 7.099 1.922 ( -0.809 -3.042 13.646) 14.004 2.048 ( -1.274 4.916 7.498) 9.055 2.234 ( -6.701 -3.427 -5.357) 9.239 2.399 ( -4.778 -5.225 3.266) 7.797 2.473 ( 3.182 -4.303 -6.894) 8.727 2.657 ( 3.147 18.610 15.314) 24.305 2.709 ( 0.969 -4.417 -5.650) 7.237 2.787 ( 0.311 7.038 3.108) 7.700 2.939 ( 8.780 -1.624 2.004) 9.151 3.129 ( 2.746 6.126 10.476) 12.442 3.404 ( 10.055 13.522 0.384) 16.855 3.439 ( -6.148 14.483 -0.739) 15.751 3.591 ( -2.747 3.472 3.368) 5.562 3.627 ( -7.971 -0.881 -1.669) 8.191 3.793 ( 0.675 10.782 -1.642) 10.927 3.819 ( -5.103 5.127 5.530) 9.105 3.970 ( -3.010 4.043 -1.227) 5.187 4.128 ( -1.104 6.885 10.631) 12.714 4.506 ( -6.599 7.443 6.722) 12.005 4.646 ( 5.980 -7.244 -5.290) 10.780 4.978 ( -0.458 7.364 3.687) 8.248 5.025 ( 1.476 14.437 3.464) 14.920 5.255 ( 5.261 5.949 2.529) 8.334 5.465 ( 1.643 10.268 -6.571) 12.301 5.571 ( -2.377 14.090 2.225) 14.461 5.860 ( 3.682 4.163 2.818) 6.231 6.252 ( -3.187 -7.507 -5.565) 9.874 6.362 ( 0.366 13.717 0.769) 13.743 6.456 ( 3.945 2.459 -8.257) 9.476 6.804 ( -7.573 6.253 -11.599) 15.198 7.192 ( 3.096 -2.037 7.170) 8.071 7.422 ( 1.313 -1.932 -5.089) 5.600 8.403 ( -5.228 -0.878 1.904) 5.633 8.663 ( 3.732 -3.228 -10.711) 11.793 8.879 ( 7.752 0.847 8.022) 11.187 9.378 ( -3.014 -0.359 -14.465) 14.780 9.776 ( 0.406 -3.413 13.219) 13.658 10.196 ( 0.595 -0.828 -7.784) 7.851 10.479 ( -2.435 -3.136 9.017) 9.852 10.787 ( -5.523 -3.869 -2.186) 7.089 10.876 ( -2.940 -0.248 14.864) 15.154 11.124 ( 5.622 -1.611 10.848) 12.324 11.464 ( 0.429 -1.937 -12.382) 12.540 11.634 ( -0.682 -1.866 -11.356) 11.529 13.986 ( 0.677 14.782 1.924) 14.922 14.017 ( -0.725 10.038 0.615) 10.083 14.353 ( -0.347 3.057 21.095) 21.318 14.457 ( 3.060 7.135 -0.730) 7.798 14.508 ( -0.080 2.227 5.401) 5.843 15.440 ( -0.086 -0.069 -20.003) 20.003 15.880 ( -0.464 -3.327 1.548) 3.699 15.948 ( 0.220 -3.353 -1.664) 3.750 19.752 ( -0.374 3.829 2.037) 4.354 19.809 ( -0.648 5.517 0.156) 5.557 22.333 ( 0.241 -4.189 0.298) 4.207 22.522 ( -0.156 -3.659 -8.506) 9.261 ======================= Grid point 200 (92/160) ======================= q-point: ( 0.10 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 4.436 20.992 6.121) 22.311 1.219 ( 5.077 22.358 -1.335) 22.966 1.498 ( 13.336 1.515 8.679) 15.984 1.549 ( 6.151 1.899 -9.028) 11.088 2.032 ( -3.946 -1.633 0.722) 4.331 2.084 ( -0.007 -2.999 5.119) 5.933 2.190 ( 3.279 -7.064 6.276) 10.002 2.393 ( 0.925 -6.617 -0.215) 6.685 2.461 ( 0.572 -4.157 0.088) 4.197 2.627 ( -1.654 0.198 -4.914) 5.188 2.728 ( -1.873 3.575 0.258) 4.044 2.824 ( -1.952 7.849 1.992) 8.330 3.071 ( -10.549 11.554 1.242) 15.695 3.191 ( -9.824 8.527 -10.136) 16.491 3.306 ( -0.228 3.135 7.238) 7.891 3.428 ( -2.251 6.199 -2.935) 7.219 3.538 ( 6.334 7.090 5.122) 10.799 3.574 ( 2.580 9.595 4.020) 10.719 3.807 ( 2.175 11.696 5.566) 13.134 3.913 ( 5.296 8.861 -2.409) 10.600 4.046 ( 8.787 2.261 12.197) 15.201 4.324 ( 12.270 5.221 -1.569) 13.427 4.495 ( -1.875 5.625 4.301) 7.326 4.686 ( 1.979 -3.998 3.256) 5.523 5.020 ( -4.018 10.947 2.861) 12.007 5.076 ( 6.641 11.233 -0.315) 13.053 5.305 ( -1.291 7.066 -11.042) 13.172 5.475 ( 4.595 16.803 -1.208) 17.461 5.707 ( 9.675 3.680 13.350) 16.893 5.877 ( 1.745 -1.492 -5.708) 6.152 6.122 ( -4.859 -0.288 -1.515) 5.098 6.376 ( 5.572 1.642 -13.593) 14.782 6.524 ( 0.947 6.144 1.052) 6.305 6.636 ( 4.847 7.509 3.033) 9.439 7.317 ( 4.345 -3.927 3.364) 6.754 7.396 ( 4.175 0.592 -5.140) 6.649 8.348 ( -6.028 -4.478 5.313) 9.199 8.612 ( 2.700 -0.229 -7.970) 8.418 9.011 ( -5.768 1.468 6.661) 8.933 9.065 ( -10.358 2.003 -13.131) 16.844 9.896 ( -2.974 -3.587 11.397) 12.313 10.058 ( -4.462 -1.514 -10.158) 11.198 10.534 ( -4.720 -3.962 10.899) 12.521 10.618 ( -10.249 -3.535 -1.875) 11.003 11.147 ( 12.734 -0.453 13.030) 18.224 11.364 ( 7.197 -0.963 6.510) 9.752 11.386 ( 6.642 -0.857 -8.817) 11.072 11.515 ( 4.626 -1.876 -12.876) 13.810 14.028 ( 2.539 10.682 0.413) 10.987 14.054 ( 4.753 10.699 0.489) 11.718 14.446 ( 3.430 7.051 -1.493) 7.982 14.512 ( 4.765 5.078 1.641) 7.154 14.795 ( 5.618 -0.421 26.642) 27.231 15.199 ( 2.795 -0.177 -24.479) 24.639 15.851 ( -5.419 -4.203 1.512) 7.022 15.892 ( -4.828 -4.376 -1.507) 6.688 19.849 ( 9.457 3.423 0.592) 10.075 19.911 ( 11.429 4.408 0.765) 12.273 22.340 ( -1.599 -4.445 2.623) 5.404 22.416 ( -1.652 -3.595 -6.806) 7.873 ======================= Grid point 201 (93/160) ======================= q-point: ( 0.20 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 9.118 16.240 -1.185) 18.662 1.333 ( 10.375 16.061 1.632) 19.190 1.603 ( 11.070 2.781 -3.839) 12.042 1.710 ( 2.422 -7.606 -0.283) 7.987 1.977 ( -1.323 3.124 1.324) 3.642 2.142 ( 0.088 -5.031 3.073) 5.896 2.240 ( -4.618 -3.542 0.799) 5.874 2.331 ( -11.026 -2.130 3.555) 11.779 2.478 ( -5.224 -5.179 0.014) 7.356 2.529 ( -6.822 0.019 -3.086) 7.488 2.644 ( -5.699 0.650 -6.889) 8.965 2.727 ( 3.650 4.855 0.342) 6.084 2.828 ( -10.304 9.463 -8.419) 16.328 3.081 ( 4.210 12.944 6.303) 15.000 3.274 ( -2.160 8.476 -3.740) 9.513 3.560 ( 5.561 -2.025 10.213) 11.804 3.640 ( 7.033 1.584 2.366) 7.588 3.733 ( 7.067 6.237 -2.035) 9.643 4.027 ( 13.142 11.515 -5.193) 18.228 4.046 ( 12.240 10.137 8.817) 18.174 4.336 ( 8.363 -1.427 2.235) 8.774 4.397 ( 11.564 4.288 -8.663) 15.072 4.497 ( 2.584 2.890 -6.090) 7.219 4.845 ( 5.682 1.482 7.845) 9.799 4.954 ( -4.431 10.866 -1.587) 11.842 5.069 ( -7.665 11.337 -8.183) 15.946 5.151 ( 2.854 8.907 -1.375) 9.453 5.532 ( 0.804 18.337 3.831) 18.750 5.829 ( 2.371 -6.166 -2.733) 7.149 5.964 ( 1.448 -3.882 -2.564) 4.872 6.148 ( 5.263 -4.068 9.490) 11.589 6.222 ( -5.604 1.596 -9.164) 10.859 6.524 ( 5.595 8.400 -4.961) 11.246 6.869 ( 5.590 -4.121 6.501) 9.513 7.429 ( 9.858 -1.740 -3.496) 10.603 7.477 ( 8.889 -0.653 1.176) 8.991 8.362 ( -1.721 -3.980 9.655) 10.584 8.558 ( 0.989 3.352 -5.625) 6.622 8.689 ( -7.558 5.013 -10.319) 13.738 9.053 ( -7.634 5.522 11.542) 14.899 9.833 ( -7.490 -2.556 -10.111) 12.840 9.955 ( -4.862 -2.693 8.785) 10.396 10.376 ( -11.528 -4.487 -4.552) 13.182 10.584 ( -7.573 -3.500 8.485) 11.900 11.361 ( 9.591 1.368 -10.308) 14.146 11.501 ( 11.134 -1.894 2.012) 11.472 11.520 ( 11.175 -1.836 -0.651) 11.344 11.595 ( 6.441 0.201 8.547) 10.704 14.103 ( 7.078 2.412 -0.320) 7.484 14.169 ( 8.336 4.671 0.798) 9.589 14.515 ( 9.607 6.418 -5.107) 12.632 14.659 ( 10.388 5.295 2.248) 11.875 14.992 ( 6.529 -0.485 -23.989) 24.866 15.166 ( 3.668 -1.311 21.208) 21.562 15.739 ( -10.051 -6.646 1.418) 12.133 15.760 ( -9.506 -6.051 -0.652) 11.288 20.057 ( 15.301 1.571 -0.339) 15.385 20.153 ( 15.998 3.608 0.602) 16.411 22.305 ( -3.221 -3.719 -2.533) 5.533 22.357 ( -3.258 -3.252 4.600) 6.507 ======================= Grid point 202 (94/160) ======================= q-point: ( 0.30 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 8.856 9.816 -5.146) 14.186 1.530 ( 11.347 12.508 -1.054) 16.920 1.607 ( -8.464 -7.320 -5.578) 12.504 1.756 ( 10.040 -0.508 -2.236) 10.299 1.971 ( -3.467 5.563 0.502) 6.574 2.085 ( -7.858 2.698 0.297) 8.313 2.127 ( -8.582 0.070 2.443) 8.923 2.230 ( -2.366 -2.581 4.128) 5.413 2.302 ( -4.138 4.067 -0.781) 5.855 2.485 ( -3.412 2.930 -1.138) 4.639 2.577 ( -7.536 -0.033 -1.511) 7.686 2.602 ( -7.154 -2.160 6.974) 10.222 2.786 ( -1.766 5.689 0.979) 6.037 3.232 ( 1.036 12.465 7.751) 14.715 3.340 ( 16.291 7.188 -2.600) 17.995 3.613 ( -3.349 9.147 -1.162) 9.810 3.786 ( 16.118 -4.181 -9.467) 19.154 3.947 ( 12.234 -13.201 6.129) 19.014 4.088 ( 8.317 4.060 -21.672) 23.566 4.243 ( 10.220 7.617 -3.246) 13.153 4.328 ( 3.074 -2.339 -2.830) 4.789 4.383 ( 4.573 5.567 -25.360) 26.364 4.613 ( 11.542 6.815 0.456) 13.411 4.754 ( -8.036 12.913 -5.352) 16.123 4.947 ( 2.354 -0.811 -0.454) 2.531 5.133 ( 6.544 6.081 9.026) 12.699 5.198 ( 0.303 4.563 6.521) 7.964 5.565 ( -3.655 12.764 4.847) 14.134 5.823 ( -1.228 -2.305 0.491) 2.658 5.923 ( 0.028 -2.003 -4.782) 5.184 6.040 ( -8.534 3.163 0.441) 9.112 6.242 ( -4.221 -15.588 2.580) 16.354 6.554 ( 6.650 4.611 -6.352) 10.288 6.956 ( 3.320 -2.163 -0.902) 4.064 7.572 ( 12.895 -1.546 -4.694) 13.810 7.607 ( 4.533 -1.971 0.075) 4.944 8.497 ( 1.387 0.972 5.979) 6.215 8.557 ( -0.418 8.233 0.146) 8.245 8.646 ( 10.045 1.656 5.510) 11.576 9.066 ( -7.236 8.126 12.359) 16.466 9.606 ( -6.172 -2.840 -7.139) 9.855 9.928 ( -9.107 -2.066 4.974) 10.581 10.167 ( -5.893 -3.775 -4.322) 8.226 10.473 ( -11.534 -2.831 0.496) 11.886 11.455 ( 10.737 2.416 -4.074) 11.735 11.608 ( 11.109 -2.905 -3.853) 12.112 11.720 ( 2.730 0.283 5.296) 5.965 11.817 ( 7.345 -0.077 8.419) 11.173 14.258 ( 12.462 -5.531 -0.820) 13.659 14.350 ( 12.665 -5.040 1.062) 13.673 14.625 ( 12.786 4.017 -8.688) 15.972 14.831 ( 9.808 2.574 -15.171) 18.248 14.922 ( 12.339 3.294 -2.108) 12.944 15.309 ( -8.407 -9.510 6.534) 14.276 15.549 ( -14.876 -9.445 0.922) 17.645 15.634 ( -7.053 -0.232 5.951) 9.231 20.310 ( 15.323 -2.244 -0.635) 15.499 20.409 ( 14.263 1.099 -0.295) 14.308 22.244 ( -2.417 -1.588 1.050) 3.076 22.363 ( -5.195 -2.238 7.974) 9.777 ======================= Grid point 203 (95/160) ======================= q-point: ( 0.40 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -7.703 -5.620 -0.749) 9.565 1.463 ( 6.161 8.683 -4.166) 11.432 1.633 ( 6.632 9.044 -6.712) 13.070 1.817 ( 5.143 -0.250 -8.682) 10.094 1.959 ( -0.496 7.186 4.919) 8.722 2.014 ( -5.597 2.454 5.086) 7.951 2.085 ( 1.859 2.943 -1.380) 3.745 2.243 ( -0.949 0.436 1.762) 2.048 2.294 ( -1.183 0.562 2.558) 2.874 2.363 ( -9.739 1.331 1.421) 9.931 2.460 ( -3.179 0.353 3.704) 4.894 2.612 ( -6.454 -7.006 4.119) 10.379 2.766 ( 0.710 8.310 4.111) 9.298 3.267 ( -8.091 14.908 4.027) 17.434 3.506 ( 0.849 3.016 -13.464) 13.824 3.602 ( 12.620 10.810 2.298) 16.775 3.831 ( 1.744 -0.314 -29.433) 29.486 3.962 ( 14.033 -4.958 -16.133) 21.949 4.041 ( 4.592 4.490 -14.706) 16.047 4.197 ( 3.377 -3.918 4.448) 6.822 4.394 ( 12.254 -3.932 -4.504) 13.634 4.456 ( 7.596 7.221 -1.410) 10.575 4.636 ( 4.835 8.467 -4.309) 10.660 4.771 ( 4.865 -2.010 -0.317) 5.273 4.921 ( -3.376 -13.800 0.962) 14.240 5.218 ( -11.233 -3.869 3.501) 12.386 5.268 ( 0.771 5.318 4.713) 7.148 5.535 ( -4.031 3.477 3.490) 6.365 5.832 ( -4.858 2.847 1.412) 5.805 5.847 ( 1.109 6.760 -0.899) 6.909 6.030 ( 4.028 -0.297 2.923) 4.985 6.156 ( -5.541 -8.886 2.518) 10.771 6.614 ( 7.739 1.666 -4.643) 9.177 6.960 ( 0.780 0.353 -5.146) 5.217 7.665 ( 3.180 -2.710 0.265) 4.186 7.703 ( 7.862 -3.675 -3.976) 9.546 8.470 ( 0.862 11.084 -4.082) 11.844 8.591 ( -3.955 3.762 1.397) 5.634 8.919 ( 9.547 1.666 8.926) 13.175 9.083 ( -9.047 9.742 12.264) 18.088 9.557 ( 4.593 -4.227 2.567) 6.749 9.811 ( -6.719 -2.477 1.009) 7.232 10.086 ( -1.330 -2.213 -1.665) 3.072 10.258 ( -11.424 -1.833 -3.777) 12.171 11.582 ( 8.413 1.728 -1.601) 8.736 11.741 ( 2.041 -0.414 1.024) 2.320 11.797 ( 5.864 1.019 2.500) 6.456 11.967 ( 0.674 0.011 5.778) 5.817 14.480 ( 16.267 -12.095 -1.886) 20.358 14.593 ( 14.297 -10.168 -0.129) 17.545 14.707 ( 9.148 -0.567 -9.550) 13.237 14.779 ( 7.783 -0.683 -12.379) 14.638 15.080 ( -11.195 -12.400 -0.213) 16.708 15.183 ( 1.897 -3.848 1.742) 4.631 15.313 ( -9.000 -5.245 0.305) 10.421 15.598 ( -9.246 6.500 6.430) 13.003 20.510 ( 9.394 -6.446 -0.901) 11.428 20.587 ( 8.197 -3.376 -1.508) 8.992 22.266 ( 0.965 0.892 4.915) 5.088 22.367 ( -5.868 -0.227 8.412) 10.259 ======================= Grid point 204 (96/160) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -6.135 -0.802 0.229) 6.191 1.516 ( 2.333 8.640 -0.173) 8.951 1.644 ( 1.384 11.354 -4.425) 12.264 1.795 ( 9.650 0.932 -14.174) 17.172 1.945 ( -3.916 0.510 2.042) 4.446 2.018 ( -2.380 2.511 1.460) 3.755 2.115 ( 3.673 -0.472 1.221) 3.899 2.240 ( -6.249 3.499 5.313) 8.917 2.255 ( -0.318 0.315 4.942) 4.963 2.360 ( 5.909 -4.056 -3.874) 8.147 2.512 ( -6.355 -4.124 0.710) 7.609 2.536 ( 2.304 -2.329 9.418) 9.971 2.914 ( 8.299 6.170 5.393) 11.664 3.099 ( -7.185 11.894 -6.547) 15.361 3.265 ( -2.268 2.945 -21.111) 21.435 3.485 ( -0.474 4.975 -27.462) 27.913 3.720 ( -6.039 8.609 3.589) 11.111 3.943 ( 9.131 8.700 -4.891) 13.527 4.099 ( -6.177 4.221 2.991) 8.057 4.216 ( -4.563 3.374 -2.356) 6.145 4.450 ( 3.694 -2.792 -3.136) 5.593 4.552 ( 10.824 -6.181 -5.737) 13.722 4.737 ( 1.804 -13.066 -0.794) 13.214 4.776 ( -4.360 -12.378 -2.226) 13.311 4.941 ( -13.160 -1.071 2.727) 13.482 5.039 ( 13.373 -0.571 2.589) 13.634 5.293 ( -7.358 2.288 7.235) 10.570 5.544 ( 2.424 0.537 -0.305) 2.501 5.766 ( -3.903 3.798 3.050) 6.242 5.877 ( 2.101 8.875 -0.272) 9.124 6.037 ( -5.613 -2.362 3.453) 7.000 6.260 ( 11.671 -0.943 -1.189) 11.769 6.684 ( 5.476 -2.068 -2.269) 6.278 6.854 ( -3.822 -0.131 -8.493) 9.314 7.700 ( -0.168 -5.043 -1.153) 5.176 7.722 ( 0.462 -5.044 -2.651) 5.717 8.470 ( -3.053 10.795 -1.897) 11.378 8.495 ( 2.834 10.215 -2.874) 10.984 9.039 ( -10.348 7.397 10.872) 16.734 9.152 ( 5.942 3.416 7.849) 10.421 9.725 ( 7.261 -3.623 4.124) 9.102 9.755 ( -3.925 -2.444 1.843) 4.977 10.048 ( -5.843 -1.648 -3.272) 6.896 10.079 ( 2.667 -1.509 -2.626) 4.036 11.685 ( 2.841 1.166 0.249) 3.082 11.699 ( -3.100 1.440 -0.584) 3.467 11.952 ( 5.968 0.944 3.812) 7.144 11.971 ( -5.964 0.706 2.929) 6.682 14.624 ( -4.784 -5.051 -6.794) 9.724 14.642 ( 1.638 -2.422 -8.488) 8.978 14.749 ( 10.762 -15.187 0.575) 18.622 14.816 ( -10.545 -10.600 -3.219) 15.294 14.978 ( 8.083 -16.429 0.002) 18.309 14.984 ( -4.481 -13.164 -0.173) 13.906 15.452 ( -13.968 9.235 3.149) 17.039 15.489 ( 13.328 7.983 1.616) 15.620 20.586 ( 0.766 -7.227 -0.083) 7.268 20.630 ( -0.510 -6.806 -2.263) 7.190 22.365 ( -4.661 1.391 6.206) 7.885 22.379 ( 4.814 1.554 5.521) 7.488 ======================= Grid point 205 (97/160) ======================= q-point: (-0.40 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -17.674 3.781 -2.888) 18.303 1.466 ( -8.475 12.239 -1.880) 15.005 1.598 ( 0.821 14.953 -2.479) 15.179 1.801 ( 10.067 2.741 -12.240) 16.083 1.880 ( -5.552 -3.651 3.505) 7.513 2.105 ( 7.141 0.293 2.571) 7.595 2.201 ( -3.350 1.840 3.833) 5.413 2.265 ( 7.737 1.174 0.751) 7.862 2.329 ( 7.280 -2.192 -2.264) 7.933 2.427 ( 5.701 -4.007 1.759) 7.187 2.479 ( -1.927 -3.097 7.237) 8.105 2.673 ( 1.479 -1.647 4.516) 5.030 2.976 ( 5.969 -2.964 -11.414) 13.217 3.003 ( 2.556 -2.123 -14.219) 14.602 3.073 ( -3.483 14.038 -1.595) 14.551 3.337 ( 9.008 14.554 -0.753) 17.133 3.564 ( -16.231 2.108 2.677) 16.585 3.855 ( -16.821 -0.675 -1.137) 16.873 3.984 ( -14.967 5.112 -5.651) 16.795 4.064 ( -3.099 7.232 7.788) 11.070 4.382 ( -23.868 6.849 0.751) 24.842 4.499 ( 5.340 -10.424 -7.304) 13.803 4.723 ( 6.859 -2.042 -4.980) 8.719 4.752 ( 0.495 -5.148 1.471) 5.376 4.868 ( -2.698 0.604 1.357) 3.079 5.192 ( -12.559 0.036 5.610) 13.755 5.378 ( 16.777 1.724 2.490) 17.048 5.554 ( 0.374 5.563 -2.483) 6.104 5.778 ( 0.393 4.737 3.092) 5.670 5.921 ( 3.959 3.680 -2.382) 5.907 5.993 ( -4.480 4.178 4.883) 7.834 6.390 ( 10.361 -13.782 -8.412) 19.185 6.662 ( -5.513 -2.309 -5.287) 7.980 6.760 ( 2.974 -3.580 0.532) 4.684 7.621 ( -7.367 -4.759 -1.437) 8.887 7.663 ( -4.846 -4.915 -1.522) 7.068 8.395 ( -1.028 15.608 -0.365) 15.646 8.604 ( 9.835 5.092 -1.119) 11.132 8.980 ( -10.249 5.590 8.244) 14.292 9.354 ( 8.920 3.563 7.686) 12.302 9.663 ( -6.562 -2.434 -2.672) 7.492 9.767 ( -2.842 0.007 -2.584) 3.841 10.041 ( 5.714 -1.811 1.932) 6.298 10.171 ( 9.224 -2.849 -0.270) 9.658 11.560 ( -9.554 1.476 -0.760) 9.697 11.751 ( -0.289 -0.846 0.740) 1.161 11.856 ( -8.539 1.591 0.851) 8.727 12.055 ( 1.541 0.647 2.490) 2.999 14.391 ( -14.346 -9.250 -1.810) 17.165 14.517 ( -7.943 0.547 -3.582) 8.730 14.600 ( -10.640 -2.363 -3.970) 11.600 14.633 ( -17.272 -13.745 0.598) 22.082 15.083 ( 16.159 -15.154 -0.529) 22.159 15.212 ( -16.303 9.206 1.799) 18.809 15.294 ( 18.843 -15.672 -0.119) 24.509 15.709 ( 10.614 7.130 0.813) 12.812 20.521 ( -9.379 -6.042 -1.794) 11.300 20.547 ( -5.891 -3.345 1.062) 6.857 22.357 ( -2.358 1.021 2.394) 3.512 22.522 ( 6.174 0.057 2.655) 6.721 ======================= Grid point 206 (98/160) ======================= q-point: (-0.30 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -17.431 10.133 17.643) 26.792 1.286 ( -10.872 14.925 -0.385) 18.468 1.556 ( -4.014 13.684 -0.247) 14.262 1.788 ( 0.865 0.173 -7.281) 7.335 1.927 ( 7.401 4.287 1.024) 8.614 2.149 ( 0.268 3.001 0.015) 3.013 2.239 ( 1.443 3.720 0.290) 4.001 2.317 ( 1.627 1.296 -0.623) 2.171 2.390 ( 3.547 2.362 -7.148) 8.322 2.548 ( 0.256 -3.094 1.481) 3.440 2.641 ( 7.826 -6.296 7.321) 12.429 2.675 ( -2.874 -3.592 -1.180) 4.749 2.921 ( 5.933 -2.656 3.848) 7.554 3.005 ( 5.034 5.554 -4.152) 8.569 3.092 ( -2.317 5.977 8.097) 10.327 3.285 ( -12.796 2.055 -0.377) 12.966 3.491 ( -6.832 -0.828 1.181) 6.983 3.627 ( -9.495 10.082 2.149) 14.015 3.680 ( -8.118 4.200 0.781) 9.174 4.006 ( -13.192 13.276 4.271) 19.197 4.177 ( -0.860 3.355 4.574) 5.737 4.410 ( -6.944 -5.882 -4.897) 10.334 4.719 ( -1.597 2.591 -4.019) 5.041 4.749 ( -3.427 2.771 1.063) 4.533 4.819 ( -2.774 7.808 -1.640) 8.447 5.040 ( -12.954 7.412 5.841) 16.027 5.532 ( 2.229 -2.603 -6.517) 7.363 5.562 ( 1.874 13.839 4.659) 14.722 5.820 ( 1.487 3.539 -0.308) 3.851 5.940 ( 1.498 8.163 0.840) 8.342 6.005 ( -0.344 -1.020 0.817) 1.351 6.404 ( 4.623 -19.935 -8.470) 22.148 6.585 ( 3.517 -2.905 -4.559) 6.449 6.821 ( 0.713 -5.679 3.735) 6.834 7.403 ( -16.300 -2.179 -0.303) 16.448 7.584 ( -4.087 -4.998 0.554) 6.479 8.423 ( 3.148 15.090 0.911) 15.442 8.761 ( 10.363 -1.230 -1.510) 10.544 8.882 ( -9.668 3.510 2.439) 10.571 9.499 ( -7.791 -3.329 -2.978) 8.980 9.605 ( 13.554 7.317 -7.744) 17.240 9.723 ( 1.237 -2.011 9.448) 9.738 10.163 ( 6.600 -1.027 -0.134) 6.681 10.343 ( 9.507 -3.350 2.890) 10.486 11.380 ( -11.772 0.213 0.270) 11.777 11.597 ( -14.991 -3.011 -0.566) 15.301 11.820 ( -0.255 0.047 0.200) 0.328 12.048 ( -3.415 -0.113 -1.084) 3.585 14.162 ( -12.901 -4.193 1.543) 13.653 14.326 ( -13.808 1.613 2.907) 14.202 14.366 ( -13.676 -2.922 0.460) 13.992 14.387 ( -13.026 -4.092 -0.657) 13.670 14.939 ( -15.703 9.144 0.449) 18.177 15.363 ( 15.467 -14.511 0.052) 21.209 15.577 ( 15.586 -11.732 -0.233) 19.509 15.840 ( 5.606 5.260 -1.493) 7.831 20.300 ( -15.080 -2.011 -0.762) 15.233 20.428 ( -9.667 2.634 0.190) 10.021 22.344 ( -0.278 -0.837 -0.859) 1.232 22.623 ( 5.175 -1.839 -1.638) 5.731 ======================= Grid point 207 (99/160) ======================= q-point: (-0.20 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -9.373 15.071 23.317) 29.303 1.147 ( -9.877 19.632 8.336) 23.505 1.464 ( -9.707 10.540 3.054) 14.651 1.706 ( -0.804 1.433 -4.429) 4.724 2.021 ( 0.164 5.545 -0.816) 5.607 2.100 ( -30.326 9.377 9.543) 33.146 2.213 ( 0.875 1.813 -0.553) 2.087 2.268 ( 10.154 5.989 0.333) 11.793 2.393 ( 4.877 2.115 0.367) 5.328 2.542 ( 0.282 -3.390 -1.977) 3.934 2.651 ( 10.650 -3.228 -7.419) 13.375 2.791 ( 3.853 -5.691 1.350) 7.004 2.963 ( -1.679 5.316 -14.905) 15.913 3.053 ( -6.751 12.795 5.806) 15.588 3.225 ( 8.768 0.064 10.604) 13.760 3.303 ( -9.592 2.431 2.376) 10.176 3.331 ( 1.167 -0.621 25.227) 25.261 3.515 ( -5.198 0.761 9.121) 10.525 3.729 ( 0.718 10.265 1.680) 10.426 3.895 ( -5.518 13.665 0.201) 14.739 4.113 ( -11.216 7.153 -4.023) 13.898 4.373 ( 4.044 0.240 6.070) 7.298 4.601 ( -0.536 0.198 -12.388) 12.401 4.651 ( -13.148 0.604 7.844) 15.322 4.796 ( 0.941 14.951 2.603) 15.205 4.956 ( -5.156 14.147 6.129) 16.257 5.421 ( -5.242 1.472 -6.166) 8.226 5.646 ( 1.698 18.581 3.499) 18.983 5.792 ( -6.178 -3.590 -1.315) 7.266 5.854 ( -6.826 -1.152 -4.083) 8.037 6.088 ( 5.480 8.931 4.934) 11.582 6.392 ( 3.333 -9.958 -4.901) 11.588 6.621 ( 7.437 -3.193 -7.624) 11.119 6.870 ( 0.803 -8.471 3.689) 9.274 7.167 ( -12.721 -0.877 4.450) 13.505 7.527 ( -4.545 -4.583 0.432) 6.469 8.494 ( 3.739 12.288 1.170) 12.897 8.712 ( -7.963 3.143 -5.935) 10.417 8.847 ( 5.642 -4.736 -9.809) 12.267 9.403 ( -0.175 -4.159 2.063) 4.646 9.603 ( 3.763 4.879 -7.600) 9.784 10.026 ( 13.100 -1.611 10.034) 16.580 10.244 ( 5.723 -0.808 -3.015) 6.519 10.541 ( 7.979 -2.739 6.746) 10.801 11.195 ( -12.914 -2.963 2.907) 13.565 11.303 ( -18.778 -5.243 -2.283) 19.629 11.789 ( -3.051 -1.662 -1.860) 3.941 11.927 ( -5.821 -0.644 -5.837) 8.268 14.018 ( -9.213 1.776 5.133) 10.694 14.177 ( -12.949 -0.401 7.563) 15.001 14.178 ( -12.525 5.054 5.843) 14.715 14.242 ( -3.101 3.695 2.720) 5.538 14.716 ( -11.440 6.530 -0.146) 13.174 15.577 ( 10.746 -10.006 -1.405) 14.750 15.785 ( 9.818 -5.668 -0.781) 11.364 15.864 ( 2.644 1.128 -4.143) 5.043 20.040 ( -15.372 2.306 0.032) 15.544 20.225 ( -13.136 6.354 -3.530) 15.013 22.332 ( 0.961 -2.617 -2.103) 3.492 22.650 ( 3.302 -2.996 -5.564) 7.130 ======================= Grid point 208 (100/160) ======================= q-point: (-0.10 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -6.703 16.807 12.159) 21.800 1.138 ( -6.428 26.147 9.273) 28.478 1.259 ( -16.321 13.213 0.685) 21.010 1.677 ( 0.011 -1.267 -0.721) 1.458 1.852 ( -15.620 5.528 19.292) 25.431 2.020 ( -4.628 9.205 6.835) 12.364 2.257 ( 1.569 5.615 8.101) 9.981 2.384 ( 3.471 4.413 0.153) 5.617 2.498 ( -2.926 -7.352 -3.143) 8.514 2.573 ( 6.670 1.252 1.609) 6.974 2.722 ( -0.269 -2.121 -11.157) 11.360 2.755 ( 7.442 -2.908 -4.985) 9.417 2.829 ( 5.150 1.260 -2.696) 5.948 3.044 ( -3.008 12.299 4.152) 13.324 3.237 ( 4.065 15.477 1.830) 16.106 3.437 ( -2.145 1.160 11.051) 11.317 3.595 ( -1.037 -1.848 10.050) 10.271 3.655 ( -1.173 2.432 11.572) 11.883 3.750 ( -2.110 11.831 -0.755) 12.042 3.799 ( -1.168 2.748 12.921) 13.261 3.968 ( -6.693 13.954 3.216) 15.807 4.299 ( -7.448 6.628 -12.437) 15.940 4.541 ( -5.019 2.665 3.782) 6.827 4.597 ( 3.707 -5.822 -0.287) 6.908 4.910 ( 3.729 16.798 7.869) 18.921 4.968 ( -0.905 9.766 2.180) 10.047 5.269 ( -4.553 5.619 -4.081) 8.304 5.576 ( -7.706 6.230 -5.469) 11.319 5.656 ( -4.520 13.444 -3.198) 14.540 5.777 ( -2.285 -0.749 6.027) 6.489 6.233 ( 5.048 4.750 3.324) 7.687 6.383 ( 2.069 2.349 -5.901) 6.680 6.577 ( -1.224 1.399 -9.407) 9.589 6.941 ( 2.512 -6.719 0.398) 7.185 7.123 ( -3.404 1.207 5.154) 6.293 7.446 ( -2.030 -4.249 -1.518) 4.948 8.489 ( -4.728 6.392 -3.731) 8.782 8.645 ( 8.269 4.505 2.335) 9.701 8.756 ( 3.219 -4.502 -14.145) 15.189 9.485 ( 6.387 -1.900 -7.107) 9.742 9.613 ( 0.634 -0.974 8.310) 8.391 10.225 ( 4.230 -0.342 -3.521) 5.514 10.353 ( 7.048 -2.947 6.016) 9.724 10.746 ( 4.391 -2.506 9.041) 10.359 10.967 ( -19.551 -5.168 5.588) 20.981 11.056 ( -7.754 -1.876 2.282) 8.298 11.648 ( -6.798 -1.857 -7.945) 10.620 11.773 ( -2.394 -1.608 -8.411) 8.892 13.974 ( -3.358 9.216 4.024) 10.602 14.057 ( -6.006 7.361 1.789) 9.668 14.160 ( -8.547 1.957 19.937) 21.780 14.342 ( 7.309 7.275 3.762) 10.977 14.565 ( -6.455 4.215 -0.698) 7.741 15.620 ( 2.002 -2.027 -11.235) 11.590 15.844 ( 2.654 -2.603 -0.014) 3.717 15.922 ( 5.352 -4.395 -1.697) 7.130 19.829 ( -10.023 4.337 0.459) 10.931 19.946 ( -13.853 6.633 -2.593) 15.577 22.328 ( 1.141 -3.663 -1.479) 4.112 22.609 ( 1.471 -3.433 -8.048) 8.873 ======================= Grid point 209 (101/160) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -1.557 7.905 8.412) 11.648 1.479 ( -1.700 10.251 4.243) 11.224 1.609 ( -0.475 9.965 -0.883) 10.015 1.674 ( -1.778 11.565 3.464) 12.203 1.914 ( -1.167 1.872 -2.256) 3.155 2.125 ( 0.649 -1.370 -2.866) 3.242 2.146 ( -3.150 -2.947 -4.771) 6.432 2.290 ( -2.337 -2.183 -2.428) 4.015 2.462 ( -0.451 1.939 -5.204) 5.571 2.593 ( 3.804 -5.189 -3.582) 7.364 2.738 ( 0.342 -2.736 6.310) 6.886 2.915 ( 5.135 -0.837 -2.186) 5.643 3.145 ( 7.381 11.250 10.024) 16.779 3.368 ( -0.737 16.023 5.940) 17.105 3.506 ( -0.297 5.912 8.900) 10.689 3.627 ( -0.691 5.548 5.087) 7.559 3.732 ( -1.242 10.436 0.313) 10.514 3.862 ( -3.268 14.854 3.460) 15.598 3.989 ( -8.456 9.706 3.998) 13.479 4.168 ( 2.507 22.802 -0.306) 22.941 4.224 ( -3.556 21.317 -0.500) 21.617 4.295 ( 4.238 9.220 12.591) 16.171 4.501 ( 4.414 -3.818 -5.942) 8.328 4.650 ( -3.425 6.264 5.410) 8.957 5.126 ( -0.418 5.933 1.938) 6.256 5.211 ( 0.820 3.725 -1.694) 4.173 5.462 ( -0.684 9.684 1.846) 9.882 5.560 ( 2.461 0.247 -1.685) 2.993 5.800 ( 3.144 12.155 4.193) 13.237 6.090 ( -2.422 -6.399 -4.604) 8.247 6.237 ( -1.276 20.838 -1.760) 20.951 6.474 ( 5.516 0.353 -0.388) 5.541 6.589 ( -6.508 4.948 -0.805) 8.215 6.860 ( 3.952 -2.414 -7.511) 8.824 7.154 ( -2.908 -0.709 6.758) 7.391 7.378 ( 4.561 -1.930 -3.467) 6.045 8.434 ( -7.683 4.420 -1.560) 9.000 8.625 ( 5.634 1.253 -10.165) 11.690 8.917 ( 5.225 3.359 8.781) 10.756 9.363 ( -3.741 -1.382 -10.442) 11.178 9.681 ( -0.176 -5.450 13.631) 14.681 10.132 ( 1.100 -6.121 -8.510) 10.541 10.402 ( -1.076 -3.802 5.701) 6.937 10.682 ( -3.656 -6.064 -4.663) 8.478 10.914 ( -3.433 3.936 12.115) 13.193 11.117 ( 5.424 1.482 10.901) 12.265 11.409 ( -0.689 -3.330 -10.546) 11.080 11.576 ( -0.531 -3.792 -10.178) 10.874 14.160 ( 0.711 5.826 10.490) 12.020 14.383 ( 0.220 0.456 26.092) 26.097 14.415 ( -0.112 21.165 -2.160) 21.275 14.639 ( -1.607 11.337 -0.434) 11.459 14.673 ( 2.752 12.794 -0.901) 13.117 15.421 ( 0.269 -2.025 -19.588) 19.694 15.771 ( -0.325 -7.525 1.575) 7.695 15.835 ( 0.035 -7.716 -1.539) 7.868 19.942 ( 0.066 14.112 0.018) 14.112 20.000 ( -0.996 13.074 -1.003) 13.150 22.209 ( -0.125 -7.606 -0.325) 7.614 22.402 ( 0.073 -8.167 -9.090) 12.220 ======================= Grid point 210 (102/160) ======================= q-point: ( 0.10 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 3.937 5.275 9.137) 11.261 1.477 ( 1.718 -2.062 -1.321) 2.991 1.632 ( 3.393 12.969 1.958) 13.547 1.685 ( 2.592 14.257 -2.850) 14.768 1.960 ( 0.695 -4.657 6.105) 7.710 2.060 ( -1.348 1.247 -1.290) 2.244 2.123 ( 2.582 -0.025 -0.824) 2.710 2.270 ( 2.266 -3.612 -3.044) 5.239 2.411 ( -2.710 -0.958 1.173) 3.105 2.561 ( -0.186 -3.968 -6.233) 7.391 2.737 ( -5.472 -2.947 3.484) 7.125 2.858 ( -6.816 -2.184 -5.684) 9.140 3.267 ( 0.124 3.358 5.197) 6.189 3.381 ( -2.527 4.881 -10.176) 11.565 3.568 ( -4.770 14.486 8.912) 17.664 3.654 ( -14.133 18.310 -0.084) 23.130 3.716 ( 4.633 12.769 -1.171) 13.634 3.802 ( 5.761 14.716 9.438) 18.408 4.050 ( 0.439 10.021 0.611) 10.049 4.127 ( 2.247 14.098 16.079) 21.502 4.292 ( 9.974 16.513 -7.868) 20.834 4.466 ( 7.679 6.831 -8.518) 13.349 4.633 ( -0.412 5.349 1.793) 5.656 4.651 ( 4.716 6.538 15.925) 17.849 5.176 ( -2.141 5.727 6.531) 8.946 5.267 ( 9.104 2.515 -8.375) 12.623 5.397 ( -0.586 2.089 -4.978) 5.430 5.637 ( 3.212 -1.968 2.185) 4.354 5.806 ( -5.579 1.164 0.691) 5.741 6.026 ( -0.506 17.736 0.021) 17.743 6.218 ( -3.482 7.332 3.556) 8.861 6.401 ( -2.580 -0.751 -13.991) 14.246 6.596 ( 0.061 0.908 7.009) 7.068 6.800 ( 1.727 6.132 -3.787) 7.411 7.241 ( 4.759 -2.396 4.081) 6.712 7.415 ( 5.990 1.190 -4.292) 7.464 8.336 ( -3.795 5.380 2.185) 6.936 8.641 ( 6.862 3.849 -6.133) 9.976 9.057 ( -4.064 2.938 5.528) 7.464 9.112 ( -7.332 2.660 -8.724) 11.702 9.793 ( -3.865 -6.100 12.286) 14.251 10.000 ( -3.519 -4.482 -11.228) 12.591 10.422 ( -5.978 -6.563 7.204) 11.433 10.506 ( -9.283 -7.056 -1.348) 11.738 11.155 ( 11.819 1.361 11.896) 16.825 11.338 ( 8.166 -1.670 -3.683) 9.113 11.369 ( 7.906 -0.399 2.998) 8.465 11.474 ( 4.512 -1.987 -12.290) 13.242 14.266 ( -1.577 11.445 3.746) 12.145 14.331 ( -3.982 14.998 -0.572) 15.528 14.641 ( 3.639 9.051 -0.156) 9.757 14.661 ( 2.443 10.653 2.387) 11.187 14.787 ( 4.602 0.125 23.736) 24.179 15.181 ( 1.910 -1.729 -23.562) 23.703 15.719 ( -7.768 -8.667 0.257) 11.642 15.755 ( -7.803 -8.905 -0.607) 11.855 19.998 ( 6.490 11.136 -0.191) 12.891 20.073 ( 9.074 11.326 0.524) 14.522 22.211 ( -1.133 -7.818 2.120) 8.179 22.302 ( -0.453 -7.439 -6.793) 10.085 ======================= Grid point 211 (103/160) ======================= q-point: ( 0.20 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 2.142 -0.529 -3.236) 3.916 1.613 ( 4.577 6.302 6.565) 10.187 1.703 ( 3.960 11.505 -1.307) 12.237 1.733 ( 5.157 10.877 -0.531) 12.050 2.020 ( 0.777 -3.618 5.755) 6.842 2.053 ( -3.304 0.911 4.046) 5.302 2.168 ( 1.465 -2.603 -1.695) 3.434 2.250 ( -5.005 -5.219 2.412) 7.623 2.373 ( -5.424 -4.731 -1.345) 7.323 2.476 ( -1.293 -3.599 -0.792) 3.906 2.652 ( -5.918 -0.830 -5.948) 8.431 2.718 ( 1.750 -3.901 -0.302) 4.286 3.118 ( -8.431 15.699 -10.643) 20.756 3.351 ( 0.133 8.334 4.551) 9.497 3.464 ( -8.275 5.923 -1.196) 10.246 3.625 ( -4.741 14.076 13.441) 20.032 3.751 ( 5.108 9.486 -4.930) 11.848 3.951 ( 9.037 10.489 1.896) 13.975 4.136 ( 3.576 4.485 0.890) 5.804 4.316 ( 10.501 7.050 -18.857) 22.706 4.392 ( 6.602 11.660 6.244) 14.783 4.558 ( 8.469 8.964 -0.755) 12.355 4.609 ( 5.991 7.801 -2.180) 10.074 4.882 ( 1.793 2.048 6.574) 7.115 5.126 ( -7.464 6.884 2.399) 10.433 5.229 ( -1.477 3.465 -7.650) 8.527 5.365 ( 2.422 6.052 -6.221) 9.011 5.637 ( -5.861 -11.381 3.691) 13.323 5.813 ( 3.759 -2.226 1.075) 4.499 5.987 ( -8.674 13.021 3.021) 15.934 6.168 ( -6.296 6.395 -1.475) 9.095 6.212 ( -3.461 -0.876 -3.121) 4.741 6.639 ( 3.116 2.556 -2.403) 4.692 6.871 ( 5.133 3.495 2.469) 6.683 7.390 ( 10.131 -0.974 -0.576) 10.194 7.493 ( 7.931 1.791 -2.595) 8.535 8.382 ( 3.482 7.507 6.332) 10.420 8.659 ( 1.318 6.445 -4.993) 8.259 8.810 ( -3.407 6.544 -6.948) 10.134 9.150 ( -3.840 3.052 9.481) 10.675 9.763 ( -8.063 -4.008 -7.049) 11.435 9.879 ( -3.296 -4.282 7.743) 9.442 10.243 ( -11.684 -8.161 -4.243) 14.870 10.472 ( -6.470 -7.410 7.067) 12.112 11.394 ( 10.890 1.674 -6.403) 12.743 11.461 ( 10.088 -0.891 -9.735) 14.047 11.497 ( 11.579 -0.675 9.202) 14.806 11.594 ( 8.305 -0.441 7.367) 11.110 14.190 ( -5.073 6.224 -0.249) 8.033 14.293 ( -3.426 7.221 0.728) 8.026 14.676 ( 8.572 8.472 -9.582) 15.397 14.812 ( 9.286 8.803 6.593) 14.394 14.966 ( 4.591 -2.180 -22.368) 22.938 15.110 ( -0.180 -4.530 17.058) 17.650 15.550 ( -12.102 -11.188 -0.221) 16.483 15.591 ( -10.638 -9.719 2.933) 14.705 20.130 ( 9.351 5.511 -0.600) 10.871 20.255 ( 10.333 5.883 1.430) 11.976 22.202 ( -1.221 -5.825 -0.272) 5.958 22.263 ( -0.994 -5.610 2.750) 6.326 ======================= Grid point 212 (104/160) ======================= q-point: ( 0.30 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -2.162 -1.188 -4.215) 4.884 1.675 ( 0.455 10.026 -3.685) 10.691 1.783 ( 7.467 3.022 -2.761) 8.516 1.809 ( 4.956 12.340 0.139) 13.299 2.040 ( -3.681 1.845 4.376) 6.009 2.103 ( -2.377 -1.011 1.307) 2.894 2.125 ( -5.203 -1.298 9.200) 10.648 2.198 ( -1.344 -0.637 1.135) 1.871 2.294 ( -1.897 -4.715 2.066) 5.487 2.477 ( -2.333 -2.245 2.468) 4.071 2.537 ( -2.833 -0.562 -3.655) 4.659 2.689 ( -9.147 2.695 -1.404) 9.639 2.950 ( -0.201 10.756 -3.145) 11.208 3.381 ( 6.448 -0.098 -4.051) 7.616 3.421 ( 3.483 -0.350 2.424) 4.258 3.711 ( -1.409 3.602 8.115) 8.989 3.805 ( 2.013 4.239 -3.224) 5.693 3.981 ( 4.254 17.125 -11.728) 21.188 4.137 ( 1.059 -3.402 -20.352) 20.662 4.284 ( 11.575 9.196 -1.901) 14.905 4.526 ( 8.194 9.439 -6.000) 13.865 4.570 ( 7.321 12.818 -14.783) 20.891 4.728 ( 3.870 2.906 1.472) 5.058 4.821 ( -10.690 -10.496 -1.909) 15.102 4.987 ( -9.703 6.073 -1.552) 11.552 5.212 ( -6.553 2.456 8.017) 10.641 5.342 ( 1.701 6.429 -0.019) 6.650 5.595 ( -0.411 -8.528 3.123) 9.091 5.756 ( -6.708 -8.078 -4.496) 11.422 5.952 ( 1.847 6.645 2.759) 7.428 6.069 ( -4.969 2.895 2.168) 6.146 6.162 ( -4.963 9.660 3.781) 11.500 6.664 ( 5.754 5.170 -6.742) 10.261 6.954 ( 4.765 1.079 -3.121) 5.798 7.529 ( 9.595 -2.149 -4.146) 10.671 7.563 ( 4.527 -2.167 -3.051) 5.874 8.571 ( 7.505 8.839 7.899) 14.031 8.702 ( 7.555 4.543 3.276) 9.405 8.784 ( 1.934 10.736 -0.438) 10.917 9.192 ( -1.712 2.083 7.539) 8.007 9.559 ( -8.626 -0.420 -2.334) 8.946 9.870 ( -9.807 -3.045 4.999) 11.421 10.048 ( -3.903 -7.883 -3.411) 9.435 10.383 ( -9.577 -5.962 0.752) 11.306 11.514 ( 9.651 2.962 -3.083) 10.556 11.574 ( 13.203 0.424 -3.643) 13.703 11.723 ( 5.358 0.007 5.209) 7.473 11.808 ( 6.807 -0.907 7.646) 10.277 14.149 ( 0.865 -3.824 -0.153) 3.924 14.260 ( -0.273 -2.873 0.385) 2.912 14.707 ( 9.671 2.921 -12.290) 15.909 14.821 ( 4.319 -3.266 -15.465) 16.385 15.022 ( -7.273 -6.829 0.757) 10.005 15.069 ( 0.812 -1.670 3.165) 3.670 15.311 ( -10.989 -10.618 -2.617) 15.504 15.629 ( -1.010 -0.722 12.645) 12.706 20.262 ( 7.426 -2.114 -0.971) 7.782 20.407 ( 6.070 -1.578 0.832) 6.327 22.206 ( 0.907 -1.856 2.330) 3.113 22.303 ( -2.046 -3.354 7.572) 8.530 ======================= Grid point 213 (105/160) ======================= q-point: ( 0.40 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -0.803 2.849 -0.120) 2.962 1.626 ( -0.004 7.109 -2.570) 7.559 1.814 ( 8.240 4.317 -12.848) 15.862 1.870 ( -0.317 8.317 1.435) 8.446 2.042 ( -0.309 -0.491 1.654) 1.752 2.103 ( -3.127 4.763 7.016) 9.038 2.138 ( 0.085 2.023 1.147) 2.327 2.206 ( 1.043 -0.539 0.510) 1.280 2.328 ( -2.320 -1.262 4.013) 4.804 2.396 ( -11.334 -0.109 -3.756) 11.941 2.461 ( -3.326 -0.004 3.173) 4.597 2.498 ( -7.530 0.049 2.019) 7.796 2.961 ( 2.749 8.366 -0.764) 8.839 3.506 ( 2.134 -1.103 -6.540) 6.967 3.563 ( 0.169 3.226 -16.239) 16.557 3.591 ( 14.456 -11.291 -3.034) 18.593 3.799 ( 3.984 -10.074 1.289) 10.909 3.849 ( 4.538 0.982 -22.872) 23.339 4.047 ( 3.613 10.384 -5.993) 12.522 4.323 ( -2.113 8.443 -10.243) 13.441 4.466 ( 0.080 -1.048 -1.311) 1.681 4.522 ( -12.182 -5.197 -7.276) 15.111 4.675 ( 6.337 5.895 -0.534) 8.671 4.774 ( 0.456 1.192 1.435) 1.920 4.860 ( -5.656 9.040 2.481) 10.948 5.126 ( -7.440 -2.957 2.017) 8.256 5.356 ( -0.383 3.641 3.289) 4.921 5.599 ( -5.956 3.015 0.125) 6.677 5.764 ( 7.391 -4.934 2.033) 9.116 5.983 ( 1.257 5.773 0.576) 5.937 6.078 ( -2.169 5.655 3.633) 7.063 6.155 ( 0.196 5.437 5.788) 7.944 6.659 ( 4.138 2.629 -7.648) 9.084 6.943 ( 1.798 -2.556 -9.000) 9.527 7.578 ( 2.609 -5.869 -3.033) 7.103 7.607 ( 4.992 -5.047 -4.706) 8.517 8.710 ( 4.222 13.290 -1.403) 14.015 8.773 ( 0.631 11.811 0.481) 11.837 8.975 ( 9.320 3.985 10.116) 14.320 9.289 ( -1.875 6.952 10.387) 12.639 9.466 ( -1.995 -2.043 4.680) 5.482 9.732 ( -6.775 -4.987 0.103) 8.414 10.008 ( -1.018 -5.508 -0.201) 5.605 10.202 ( -9.670 -3.692 -3.670) 10.982 11.634 ( 7.526 3.354 -0.696) 8.269 11.750 ( 6.659 1.515 0.878) 6.885 11.828 ( 4.413 1.829 3.064) 5.676 11.956 ( 1.068 -1.277 6.106) 6.329 14.215 ( 7.421 -12.406 -0.700) 14.473 14.318 ( 7.288 -13.611 0.293) 15.442 14.615 ( -9.875 -13.346 -4.100) 17.101 14.760 ( -5.482 -9.252 -8.146) 13.491 14.784 ( 0.612 -5.133 -6.867) 8.595 14.968 ( -7.135 -8.329 -8.955) 14.159 15.399 ( 12.723 7.847 3.731) 15.407 15.702 ( -5.845 3.498 8.181) 10.646 20.343 ( 4.130 -8.883 -1.035) 9.851 20.464 ( 1.028 -8.310 -0.817) 8.413 22.286 ( 2.970 0.976 5.520) 6.344 22.358 ( -2.708 -0.650 8.348) 8.800 ======================= Grid point 214 (106/160) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -1.525 6.903 0.838) 7.119 1.654 ( 3.221 4.325 3.037) 6.189 1.817 ( 3.556 1.284 -6.931) 7.895 1.840 ( 4.196 6.760 -4.860) 9.324 2.020 ( -6.341 4.845 -5.052) 9.445 2.072 ( 1.790 -1.709 -0.990) 2.665 2.141 ( -7.197 5.412 3.995) 9.851 2.204 ( 2.691 -2.895 -4.645) 6.099 2.273 ( 0.095 -0.145 3.179) 3.184 2.320 ( -2.480 1.180 4.512) 5.283 2.443 ( -2.047 -1.701 0.021) 2.662 2.511 ( 2.649 -0.351 7.649) 8.103 2.971 ( 4.620 -1.082 -11.760) 12.681 3.166 ( 0.195 -2.024 -26.457) 26.535 3.515 ( -5.323 13.564 -0.546) 14.581 3.612 ( -1.111 6.370 -8.715) 10.852 3.801 ( -15.640 -5.757 -6.851) 18.019 3.903 ( 12.793 -11.251 -7.472) 18.603 4.037 ( 16.052 -21.682 1.261) 27.007 4.126 ( -9.769 -21.750 -3.735) 24.134 4.329 ( -0.298 12.094 2.851) 12.429 4.494 ( -4.485 13.775 -3.111) 14.817 4.677 ( -3.118 5.705 3.566) 7.415 4.795 ( -1.294 9.751 -1.364) 9.931 4.917 ( 5.656 -1.126 4.087) 7.068 5.115 ( 8.952 3.760 -1.689) 9.856 5.348 ( -9.564 3.719 5.383) 11.588 5.561 ( 3.927 1.671 -1.626) 4.567 5.847 ( 0.743 3.980 3.445) 5.316 6.021 ( 0.523 5.002 -0.597) 5.065 6.080 ( -1.723 6.568 5.378) 8.662 6.238 ( 2.598 -1.028 0.310) 2.811 6.636 ( 2.379 -2.009 -5.758) 6.546 6.807 ( -3.017 -4.258 -10.515) 11.739 7.557 ( -0.541 -7.805 -3.143) 8.431 7.609 ( 1.363 -6.414 -4.277) 7.828 8.747 ( 3.626 14.687 -1.777) 15.232 8.755 ( -1.346 14.693 -1.939) 14.882 9.198 ( -0.636 5.872 10.307) 11.879 9.280 ( -5.337 9.972 8.062) 13.890 9.626 ( 8.396 -5.620 5.645) 11.574 9.681 ( -2.545 -4.880 1.892) 5.820 9.983 ( -1.923 -4.809 -1.508) 5.395 10.037 ( -1.825 -2.539 -3.509) 4.700 11.730 ( 3.610 3.073 0.920) 4.829 11.750 ( -4.572 3.638 -0.167) 5.845 11.970 ( 1.466 0.392 3.944) 4.226 11.982 ( -1.098 0.314 3.585) 3.763 14.334 ( -5.029 -17.803 0.020) 18.500 14.373 ( 2.377 -17.215 -2.213) 17.519 14.530 ( 4.635 -15.963 -0.544) 16.631 14.551 ( -1.198 -20.455 0.711) 20.503 14.742 ( 2.509 -0.697 -9.251) 9.610 14.785 ( -3.185 -1.372 -9.410) 10.029 15.624 ( -11.205 7.172 3.816) 13.840 15.644 ( 11.259 6.615 2.963) 13.390 20.387 ( 2.189 -11.236 0.165) 11.448 20.434 ( -2.328 -11.498 -2.008) 11.902 22.395 ( -3.509 1.255 6.329) 7.344 22.410 ( 3.735 1.212 5.569) 6.814 ======================= Grid point 215 (107/160) ======================= q-point: (-0.40 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -11.774 8.890 -3.147) 15.085 1.669 ( -9.261 4.341 -2.802) 10.604 1.798 ( 3.929 6.135 8.586) 11.260 1.868 ( 8.197 2.439 -15.016) 17.281 1.974 ( 0.022 7.466 0.374) 7.475 2.077 ( 1.503 -1.558 2.855) 3.583 2.174 ( 9.532 -0.817 2.577) 9.908 2.255 ( 7.201 -1.622 -1.927) 7.629 2.318 ( -0.494 -3.482 4.909) 6.039 2.357 ( 2.209 2.498 1.870) 3.824 2.422 ( -0.254 -2.954 1.765) 3.450 2.692 ( 4.211 2.927 7.270) 8.897 2.859 ( 4.708 -6.831 -14.833) 16.996 2.963 ( 7.912 -1.037 -20.548) 22.043 3.396 ( -11.619 6.390 0.271) 13.263 3.471 ( -14.637 -0.762 1.432) 14.726 3.547 ( -6.118 -3.181 0.981) 6.965 3.781 ( -3.550 -0.023 1.103) 3.717 4.172 ( -7.069 8.290 -2.356) 11.146 4.238 ( 3.783 4.637 -7.661) 9.721 4.362 ( 16.263 -19.824 1.022) 25.662 4.394 ( -4.059 6.078 2.729) 7.802 4.576 ( -12.070 9.285 4.556) 15.895 4.807 ( 4.451 7.044 -1.715) 8.507 5.076 ( 10.868 6.990 -1.865) 13.056 5.179 ( -11.325 1.249 1.571) 11.502 5.335 ( 12.082 -3.273 -0.078) 12.518 5.643 ( 5.879 3.245 -0.184) 6.718 5.900 ( 0.559 6.531 3.564) 7.462 5.987 ( -4.570 -1.099 -3.865) 6.085 6.078 ( -0.935 6.764 2.333) 7.216 6.248 ( -0.344 1.877 -0.444) 1.959 6.587 ( -2.928 -4.703 -0.983) 5.627 6.702 ( 2.730 -1.342 -5.268) 6.083 7.497 ( -3.716 -7.045 -1.737) 8.153 7.537 ( -4.577 -7.172 -3.427) 9.172 8.700 ( -1.473 13.554 -2.168) 13.805 8.797 ( 3.865 13.134 -1.305) 13.753 9.133 ( -11.384 8.518 5.528) 15.255 9.422 ( 2.741 2.306 10.566) 11.157 9.610 ( -4.448 -3.163 -2.640) 6.063 9.748 ( 2.753 -1.575 -3.024) 4.382 9.996 ( 5.574 -2.380 2.355) 6.502 10.082 ( 7.223 -5.719 0.213) 9.215 11.622 ( -10.488 4.630 -0.119) 11.465 11.754 ( -3.881 1.294 0.982) 4.207 11.887 ( -7.473 1.254 1.198) 7.672 12.061 ( 0.345 -0.457 2.142) 2.217 14.171 ( -7.373 -10.280 -0.337) 12.655 14.310 ( -7.757 -14.863 0.553) 16.775 14.517 ( -3.154 -2.531 -4.045) 5.719 14.592 ( -9.066 0.689 -5.283) 10.515 14.733 ( 13.122 -15.626 0.015) 20.405 14.871 ( 20.963 -23.035 -0.642) 31.152 15.434 ( -14.678 11.075 1.360) 18.438 15.830 ( 7.745 4.067 1.329) 8.848 20.354 ( -4.514 -9.436 -1.806) 10.615 20.423 ( 0.899 -8.461 1.551) 8.649 22.384 ( -4.014 1.550 2.652) 5.055 22.518 ( 3.287 -0.610 2.562) 4.212 ======================= Grid point 216 (108/160) ======================= q-point: (-0.30 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -7.329 14.313 13.042) 20.704 1.510 ( -8.155 6.509 0.785) 10.464 1.777 ( 4.017 8.148 -12.345) 15.327 1.894 ( -4.953 4.786 -0.406) 6.899 2.036 ( 9.854 6.404 2.657) 12.049 2.142 ( 0.526 -2.502 0.456) 2.597 2.279 ( 0.535 -0.571 2.459) 2.580 2.319 ( 2.145 -1.855 -3.219) 4.290 2.437 ( 9.782 -3.170 -4.637) 11.280 2.476 ( 7.553 -3.577 5.865) 10.210 2.514 ( 4.041 -3.561 2.257) 5.840 2.702 ( -4.645 8.645 4.102) 10.636 2.868 ( 3.266 -0.547 -0.208) 3.318 2.988 ( 9.438 -3.143 2.203) 10.189 3.212 ( -2.585 -1.746 -2.678) 4.111 3.379 ( -5.828 3.740 4.365) 8.186 3.432 ( -6.504 5.164 4.308) 9.356 3.806 ( -7.315 10.197 -3.635) 13.065 3.994 ( -0.878 16.266 8.841) 18.534 4.181 ( -6.445 9.012 -0.667) 11.100 4.362 ( -5.106 4.865 -1.415) 7.194 4.399 ( 2.542 3.426 -4.948) 6.533 4.670 ( 4.438 -0.842 5.039) 6.767 4.810 ( -2.739 5.352 -2.199) 6.402 5.034 ( -7.204 4.977 6.159) 10.705 5.232 ( 10.810 6.171 -2.483) 12.692 5.455 ( 4.968 -2.883 -5.271) 7.796 5.636 ( -5.822 -5.201 -4.388) 8.955 5.875 ( 1.818 0.968 -3.768) 4.294 5.961 ( 3.121 -0.216 2.162) 3.802 6.162 ( 5.904 4.557 0.034) 7.458 6.227 ( -1.471 13.282 3.181) 13.737 6.551 ( -2.493 -2.518 1.851) 3.998 6.738 ( 5.376 -1.769 -1.550) 5.868 7.339 ( -13.041 -3.485 0.048) 13.499 7.453 ( -3.915 -7.425 0.882) 8.440 8.673 ( 0.619 9.437 -1.269) 9.542 8.831 ( 2.495 8.395 -2.019) 8.988 8.987 ( -10.376 6.327 0.093) 12.153 9.415 ( -7.244 -4.530 -3.943) 9.410 9.640 ( -0.165 -6.002 8.449) 10.365 9.769 ( 11.564 7.370 -5.284) 14.695 10.118 ( 6.841 -4.007 -1.351) 8.042 10.253 ( 9.530 -4.721 4.621) 11.596 11.412 ( -15.860 3.837 1.371) 16.375 11.588 ( -14.362 2.123 -1.147) 14.563 11.815 ( -3.794 -0.596 0.410) 3.862 12.032 ( -4.471 -1.840 -1.236) 4.990 14.099 ( -2.276 -1.525 0.661) 2.819 14.252 ( -0.390 -3.711 1.051) 3.877 14.347 ( -13.676 0.533 3.184) 14.052 14.376 ( -11.376 0.053 -0.390) 11.383 15.023 ( 19.667 -17.118 -0.284) 26.075 15.173 ( -4.010 4.042 -2.417) 6.186 15.253 ( 11.144 -10.352 2.500) 15.415 15.916 ( 2.785 1.632 -1.605) 3.605 20.248 ( -6.674 -2.802 -0.780) 7.280 20.433 ( -2.249 -2.521 0.840) 3.481 22.332 ( -3.353 -0.023 -0.821) 3.452 22.569 ( 2.472 -3.313 -1.861) 4.534 ======================= Grid point 217 (109/160) ======================= q-point: (-0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -3.211 14.505 16.209) 21.987 1.440 ( -7.061 10.689 9.389) 15.882 1.674 ( -4.857 9.393 -3.783) 11.231 1.822 ( -0.017 7.099 -5.843) 9.194 2.132 ( -0.410 2.450 -0.501) 2.534 2.176 ( 3.165 -2.418 -0.210) 3.989 2.284 ( -3.791 -1.445 -3.241) 5.192 2.315 ( 5.609 -3.818 -4.683) 8.244 2.453 ( -3.487 -2.664 2.883) 5.251 2.501 ( -0.429 3.010 -0.309) 3.056 2.620 ( -0.658 9.422 3.172) 9.964 2.657 ( 11.633 -3.754 -8.769) 15.043 3.020 ( 4.180 0.224 -4.249) 5.965 3.250 ( 6.578 3.704 8.313) 11.229 3.305 ( 6.936 2.970 23.771) 24.939 3.391 ( -1.286 7.013 7.464) 10.322 3.440 ( -1.900 14.832 10.195) 18.098 3.625 ( -8.030 12.196 1.876) 14.722 4.020 ( -5.671 16.179 -0.883) 17.167 4.186 ( 0.242 10.938 -0.029) 10.941 4.287 ( 3.196 -3.999 -3.667) 6.297 4.382 ( 2.804 13.978 -3.590) 14.702 4.674 ( -6.299 3.290 2.569) 7.556 4.693 ( -9.496 6.318 1.196) 11.468 5.070 ( 0.004 11.786 8.268) 14.396 5.299 ( -2.506 13.633 -5.015) 14.741 5.430 ( 3.178 -2.267 -2.702) 4.747 5.571 ( -1.457 -10.233 4.692) 11.351 5.841 ( -2.971 0.397 -5.261) 6.055 6.027 ( 6.121 6.919 -0.410) 9.247 6.211 ( 4.848 1.454 -2.035) 5.455 6.366 ( 9.328 12.063 4.416) 15.876 6.529 ( -0.852 -2.334 -1.331) 2.818 6.800 ( 2.426 -1.918 -1.159) 3.302 7.162 ( -10.408 1.468 6.660) 12.444 7.410 ( -3.864 -6.246 1.962) 7.602 8.674 ( 0.900 5.581 -1.076) 5.755 8.775 ( -5.703 3.008 -5.717) 8.617 8.846 ( -0.780 5.915 -7.509) 9.591 9.302 ( -0.631 -5.515 1.066) 5.653 9.637 ( -2.696 -3.056 -0.720) 4.138 10.018 ( 14.850 1.781 4.096) 15.507 10.181 ( 5.403 -5.907 -4.937) 9.405 10.473 ( 9.743 -3.625 5.560) 11.789 11.150 ( -19.769 2.337 5.197) 20.574 11.319 ( -15.210 4.119 -2.143) 15.903 11.739 ( -5.261 -3.204 -1.434) 6.325 11.895 ( -7.139 -2.787 -5.325) 9.332 14.069 ( -7.451 2.696 6.795) 10.438 14.176 ( -13.249 0.100 9.735) 16.441 14.269 ( -0.033 5.068 2.973) 5.875 14.368 ( 8.843 7.816 1.255) 11.869 14.952 ( -12.562 15.734 -1.559) 20.194 15.331 ( 17.265 -13.710 -0.421) 22.050 15.563 ( 17.110 -14.264 0.110) 22.276 15.883 ( -1.526 -0.691 -5.597) 5.843 20.120 ( -7.977 5.354 -0.233) 9.610 20.341 ( -8.527 4.340 -2.273) 9.834 22.269 ( -1.623 -2.939 -2.583) 4.236 22.558 ( 1.801 -5.872 -5.936) 8.542 ======================= Grid point 218 (110/160) ======================= q-point: (-0.10 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -5.708 13.427 6.122) 15.822 1.467 ( -5.493 10.443 9.008) 14.845 1.582 ( -6.108 13.721 7.932) 16.985 1.739 ( -2.021 7.938 -5.660) 9.956 2.036 ( -5.526 4.210 -7.722) 10.387 2.134 ( -0.537 -0.112 1.297) 1.409 2.227 ( -1.639 -5.183 -1.802) 5.727 2.412 ( -5.459 -2.040 -3.909) 7.017 2.453 ( 10.753 -0.276 -0.399) 10.764 2.555 ( 0.720 -5.755 1.574) 6.010 2.606 ( 4.766 -0.733 -0.324) 4.833 2.768 ( 11.006 6.288 -2.348) 12.891 3.005 ( 2.723 11.190 -1.893) 11.672 3.365 ( -6.024 16.806 6.385) 18.960 3.439 ( 1.313 3.921 7.232) 8.331 3.564 ( -1.490 2.909 7.062) 7.782 3.617 ( 5.554 16.090 9.782) 19.632 3.777 ( -1.405 6.267 32.994) 33.613 3.929 ( -2.315 9.867 -1.329) 10.222 4.117 ( 3.164 20.278 -7.425) 21.825 4.274 ( 1.207 4.832 -5.861) 7.692 4.399 ( -3.542 8.931 -5.560) 11.100 4.518 ( -4.507 7.919 -0.758) 9.144 4.643 ( -6.632 3.394 8.668) 11.430 5.155 ( -1.887 6.206 -0.870) 6.545 5.240 ( 1.116 10.729 3.073) 11.216 5.402 ( 0.011 6.380 -3.206) 7.140 5.599 ( -4.721 2.938 6.474) 8.534 5.732 ( -0.505 4.174 -2.602) 4.945 6.121 ( 2.592 9.172 0.057) 9.531 6.261 ( 3.679 1.600 -2.506) 4.730 6.440 ( 0.583 5.061 -4.669) 6.910 6.622 ( 6.964 1.671 2.077) 7.457 6.796 ( 1.765 -6.370 0.405) 6.623 7.158 ( -3.686 2.751 7.028) 8.400 7.366 ( -1.040 -3.726 -1.209) 4.053 8.591 ( -6.403 3.208 -5.141) 8.816 8.710 ( 1.119 2.343 -12.635) 12.899 8.744 ( 5.342 5.030 2.192) 7.658 9.414 ( 7.226 -4.714 1.340) 8.731 9.574 ( -5.121 -3.354 4.344) 7.506 10.179 ( 3.657 -5.308 -6.742) 9.327 10.280 ( 9.268 -2.993 4.054) 10.549 10.665 ( 5.975 -5.131 2.596) 8.292 10.958 ( -12.585 4.771 10.901) 17.320 11.072 ( -12.479 3.311 1.169) 12.963 11.591 ( -7.357 -3.697 -6.545) 10.518 11.716 ( -4.215 -4.071 -7.803) 9.758 14.062 ( -5.408 1.825 11.906) 13.204 14.169 ( -7.781 0.484 20.006) 21.471 14.360 ( 6.903 15.931 -0.217) 17.364 14.561 ( 11.138 13.231 0.321) 17.298 14.750 ( -9.516 14.480 -1.479) 17.390 15.531 ( 9.081 -7.043 -6.612) 13.259 15.765 ( 1.811 -6.163 -2.199) 6.790 15.784 ( 5.731 -7.888 -3.769) 10.454 19.997 ( -5.843 11.646 -0.562) 13.042 20.132 ( -11.031 10.934 -2.895) 15.799 22.226 ( -0.214 -5.858 -2.249) 6.279 22.496 ( 1.041 -7.555 -8.572) 11.473 ======================= Grid point 219 (111/160) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -4.303 4.017 -1.107) 5.990 1.532 ( -8.106 -1.778 -2.972) 8.815 1.805 ( 0.979 9.337 -3.708) 10.094 1.889 ( 0.061 0.901 1.329) 1.606 1.957 ( -0.780 7.850 -2.967) 8.429 2.099 ( -1.006 0.430 1.754) 2.068 2.128 ( 1.399 -0.439 -5.396) 5.592 2.254 ( -0.125 -0.598 0.973) 1.149 2.468 ( -0.439 -4.342 1.616) 4.653 2.491 ( 3.447 -3.717 -0.571) 5.102 2.704 ( 2.924 0.799 -0.129) 3.034 2.857 ( 4.172 -4.531 -4.214) 7.463 3.236 ( 0.388 2.071 0.585) 2.187 3.421 ( -0.548 -4.397 -6.538) 7.898 3.768 ( 0.886 12.844 5.584) 14.033 3.905 ( 1.653 15.103 2.262) 15.361 4.028 ( -0.396 10.275 2.816) 10.661 4.097 ( 3.304 12.283 18.190) 22.196 4.166 ( -7.615 6.098 9.665) 13.733 4.335 ( 1.214 0.101 17.960) 18.001 4.537 ( -10.828 13.567 4.244) 17.870 4.624 ( -2.396 11.902 2.321) 12.360 4.754 ( 7.322 15.571 -1.584) 17.279 4.825 ( 7.731 16.952 -7.311) 20.015 5.183 ( 0.571 -0.826 -0.361) 1.067 5.224 ( -2.891 -2.609 -1.411) 4.142 5.540 ( 4.668 0.388 -2.407) 5.267 5.588 ( -7.868 3.084 -4.481) 9.565 5.951 ( -7.477 -0.835 -0.824) 7.568 6.098 ( 11.390 6.639 -0.446) 13.191 6.388 ( 4.525 -6.013 -0.280) 7.531 6.478 ( -3.491 0.216 -2.344) 4.211 6.632 ( -7.501 1.064 2.706) 8.045 6.746 ( 8.781 -5.894 -2.336) 10.830 7.178 ( -5.174 2.852 6.366) 8.685 7.334 ( 4.468 -2.951 -0.800) 5.414 8.575 ( -3.976 8.762 0.343) 9.628 8.729 ( 3.985 6.427 -6.870) 10.216 9.029 ( 3.575 7.289 7.617) 11.132 9.305 ( -3.492 -4.426 -2.294) 6.087 9.590 ( 0.518 -1.691 9.773) 9.931 9.939 ( 1.113 -12.135 -6.536) 13.829 10.353 ( -0.543 -0.193 0.417) 0.712 10.542 ( -2.585 -7.186 -6.813) 10.235 11.026 ( -2.549 6.489 5.726) 9.022 11.180 ( 2.830 3.452 5.859) 7.365 11.335 ( -1.270 -3.095 -6.602) 7.402 11.480 ( 0.044 -5.441 -7.015) 8.878 14.252 ( 0.960 3.507 18.465) 18.820 14.360 ( 0.134 -1.805 25.636) 25.700 14.828 ( 2.088 17.461 -8.330) 19.459 14.930 ( -2.913 16.039 0.979) 16.331 14.967 ( 0.513 14.587 -3.975) 15.127 15.353 ( 1.006 -4.425 -17.302) 17.888 15.564 ( -0.204 -12.506 1.540) 12.602 15.631 ( 0.041 -11.984 -1.621) 12.093 20.269 ( -0.255 15.350 0.187) 15.353 20.304 ( -0.637 14.248 -0.087) 14.262 22.049 ( -0.321 -6.557 -2.657) 7.083 22.195 ( 0.242 -11.109 -8.967) 14.279 ======================= Grid point 220 (112/160) ======================= q-point: ( 0.10 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -1.062 -2.285 -0.114) 2.523 1.436 ( 4.725 -1.738 8.753) 10.098 1.822 ( 2.708 4.521 -0.434) 5.288 1.870 ( 3.140 2.272 -4.824) 6.188 1.979 ( 0.210 5.363 3.913) 6.642 2.088 ( 3.244 0.635 -5.808) 6.683 2.118 ( -2.939 1.442 4.872) 5.870 2.277 ( 0.886 2.474 0.482) 2.672 2.409 ( -4.498 0.480 -3.251) 5.571 2.508 ( -0.879 -1.013 -2.101) 2.493 2.651 ( -7.912 -3.716 1.228) 8.827 2.775 ( -6.541 -5.543 -6.646) 10.848 3.296 ( 4.027 0.075 3.722) 5.484 3.369 ( 2.807 -3.145 -6.444) 7.700 3.828 ( -0.272 11.705 4.200) 12.439 3.933 ( 0.155 10.584 -4.455) 11.485 4.039 ( -5.832 11.738 0.434) 13.114 4.132 ( 3.780 7.744 6.426) 10.749 4.322 ( -12.003 19.860 0.319) 23.208 4.382 ( 0.676 8.023 10.682) 13.376 4.534 ( -1.991 7.443 15.168) 17.012 4.620 ( 0.355 12.653 1.186) 12.714 4.798 ( -0.398 9.096 -4.954) 10.365 4.912 ( 9.568 13.463 1.762) 16.610 5.183 ( -0.029 -9.705 -5.165) 10.994 5.215 ( 0.172 -3.809 7.130) 8.085 5.404 ( -6.288 0.412 -6.120) 8.784 5.554 ( -3.439 -4.573 0.232) 5.727 5.858 ( -3.837 3.840 1.206) 5.561 6.196 ( 3.817 -4.924 -7.908) 10.067 6.347 ( -5.483 5.804 -2.404) 8.338 6.412 ( -1.885 2.874 0.924) 3.559 6.592 ( -0.472 1.392 3.092) 3.423 6.828 ( 5.386 -3.267 -2.543) 6.793 7.246 ( 5.127 2.880 4.727) 7.545 7.420 ( 7.467 -1.694 -1.376) 7.780 8.558 ( 1.489 13.824 0.720) 13.923 8.769 ( 8.020 6.892 -5.058) 11.722 9.126 ( -4.212 3.425 4.742) 7.208 9.169 ( -5.513 2.326 -4.186) 7.302 9.677 ( -2.882 -3.766 9.296) 10.435 9.866 ( 0.044 -8.306 -8.537) 11.911 10.291 ( -9.392 -5.224 2.058) 10.943 10.350 ( -9.990 -7.339 -0.848) 12.425 11.197 ( 11.050 2.504 7.492) 13.583 11.298 ( 9.050 -2.168 -3.584) 9.972 11.374 ( 7.873 0.853 3.362) 8.604 11.435 ( 5.425 -1.799 -8.410) 10.168 14.479 ( 0.142 8.805 12.468) 15.264 14.635 ( -8.451 13.271 -3.325) 16.081 14.706 ( 4.152 -0.996 19.704) 20.161 14.881 ( -4.257 8.103 1.088) 9.218 14.932 ( 1.398 13.707 -3.656) 14.255 15.131 ( -1.422 -2.169 -18.114) 18.299 15.498 ( -9.027 -12.408 -2.104) 15.488 15.530 ( -9.578 -12.718 0.099) 15.922 20.267 ( 0.073 13.206 0.251) 13.209 20.331 ( 2.300 11.534 0.710) 11.783 22.047 ( 1.463 -6.909 0.250) 7.067 22.124 ( 2.184 -9.034 -5.980) 11.052 ======================= Grid point 221 (113/160) ======================= q-point: ( 0.20 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 2.684 2.488 2.299) 4.322 1.689 ( 6.874 -1.101 14.777) 16.335 1.836 ( 3.227 0.655 -4.594) 5.652 1.924 ( 3.643 4.814 1.709) 6.274 2.009 ( -0.191 5.118 0.246) 5.127 2.085 ( 2.990 -3.333 -3.740) 5.834 2.121 ( -3.725 2.942 4.562) 6.584 2.229 ( -2.964 4.221 -5.060) 7.225 2.283 ( -6.178 -3.108 -2.725) 7.433 2.426 ( -4.186 -0.690 1.449) 4.483 2.576 ( -1.635 -6.708 -3.210) 7.614 2.616 ( -4.007 -5.178 0.217) 6.551 3.340 ( 2.251 4.513 -5.117) 7.185 3.427 ( 3.243 -0.084 5.359) 6.264 3.643 ( -17.849 13.095 -3.541) 22.419 3.923 ( -1.400 7.009 4.291) 8.336 3.997 ( -17.909 15.730 -0.268) 23.838 4.088 ( 6.302 7.406 -2.034) 9.934 4.330 ( 7.641 11.405 -2.232) 13.908 4.436 ( 4.772 3.401 0.351) 5.870 4.611 ( 1.297 9.134 -5.097) 10.540 4.715 ( -2.770 0.343 3.282) 4.308 4.750 ( 3.041 6.964 5.750) 9.529 4.862 ( -11.740 -6.176 -8.009) 15.496 5.172 ( 4.300 -3.161 -12.450) 13.546 5.285 ( -2.305 5.256 8.297) 10.088 5.290 ( 4.806 -9.144 -6.297) 12.098 5.469 ( -11.783 -4.415 9.406) 15.710 5.820 ( -1.754 4.824 -1.335) 5.304 6.077 ( -5.658 -4.193 -3.196) 7.734 6.249 ( -2.638 8.939 -2.950) 9.776 6.416 ( -1.802 8.673 2.273) 9.145 6.659 ( 4.896 1.332 0.790) 5.135 6.897 ( 4.317 -2.317 0.943) 4.989 7.405 ( 9.499 2.454 -0.267) 9.814 7.524 ( 6.464 0.108 -2.561) 6.953 8.641 ( 6.098 14.869 2.059) 16.203 8.811 ( 1.423 7.523 -4.496) 8.879 8.964 ( 0.023 7.989 -5.462) 9.677 9.158 ( -4.083 -2.341 4.156) 6.279 9.679 ( -6.927 -3.512 0.676) 7.796 9.800 ( 1.546 -3.672 0.796) 4.063 10.074 ( -13.892 -6.147 -0.729) 15.208 10.287 ( -6.140 -10.085 5.894) 13.196 11.430 ( 11.629 1.907 -1.913) 11.939 11.468 ( 10.792 0.939 -6.028) 12.397 11.489 ( 10.959 0.122 5.938) 12.465 11.571 ( 9.607 -1.811 4.548) 10.782 14.362 ( -14.446 10.357 -0.959) 17.801 14.469 ( -11.946 9.883 -0.068) 15.504 14.810 ( -2.873 -1.108 -7.081) 7.721 14.875 ( 2.201 -1.881 -12.512) 12.842 14.982 ( -5.065 -4.392 3.776) 7.695 15.027 ( 5.798 8.454 6.199) 11.980 15.307 ( -9.523 -11.650 -5.379) 15.980 15.392 ( -4.138 -9.027 10.658) 14.568 20.268 ( -0.417 7.141 -0.264) 7.158 20.365 ( 0.071 3.898 1.090) 4.048 22.092 ( 2.949 -4.104 1.224) 5.200 22.142 ( 2.911 -5.602 1.663) 6.528 ======================= Grid point 222 (114/160) ======================= q-point: ( 0.30 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 0.903 7.642 -1.802) 7.903 1.835 ( 3.644 -0.877 -4.996) 6.246 1.867 ( -0.740 7.322 -0.674) 7.390 1.972 ( -0.314 3.190 1.853) 3.702 2.046 ( 3.821 -2.272 7.552) 8.763 2.088 ( -1.138 -0.703 2.380) 2.730 2.110 ( 0.639 3.333 0.099) 3.395 2.181 ( 1.199 -1.982 -2.296) 3.261 2.219 ( 0.671 1.176 1.127) 1.761 2.420 ( -1.313 -2.757 2.712) 4.084 2.505 ( -1.397 -3.156 -3.377) 4.828 2.607 ( -1.563 -8.433 1.367) 8.685 3.227 ( -13.429 14.699 -4.896) 20.503 3.424 ( -0.189 3.985 -0.081) 3.990 3.437 ( -7.924 4.799 1.925) 9.462 3.794 ( -12.434 0.394 0.549) 12.453 3.835 ( -4.553 -2.255 -3.333) 6.076 4.067 ( 1.565 3.462 -15.592) 16.049 4.356 ( 5.235 13.919 -8.119) 16.943 4.430 ( -23.879 -19.600 -2.896) 31.028 4.570 ( -0.685 4.372 -0.970) 4.530 4.611 ( 7.227 2.115 1.375) 7.654 4.717 ( 0.695 -0.901 -11.613) 11.668 4.817 ( 8.429 6.829 -3.815) 11.500 5.071 ( -0.932 4.019 -1.643) 4.440 5.198 ( -4.706 -1.107 -4.412) 6.545 5.396 ( -5.926 -0.863 4.247) 7.342 5.481 ( 12.985 -1.070 1.636) 13.131 5.781 ( -2.221 7.932 1.475) 8.368 6.011 ( -3.107 -0.883 3.648) 4.872 6.182 ( -3.478 7.746 -0.278) 8.496 6.379 ( -5.734 6.515 2.142) 8.939 6.736 ( 5.493 2.963 -3.994) 7.410 6.953 ( 1.969 -2.269 -2.764) 4.082 7.497 ( 4.359 -0.597 -5.126) 6.755 7.531 ( 1.392 -0.953 -5.470) 5.725 8.770 ( 6.387 7.560 5.843) 11.493 8.889 ( 10.184 12.988 3.597) 16.892 8.988 ( 4.310 8.969 -2.074) 10.164 9.142 ( 0.084 -4.658 1.219) 4.816 9.570 ( -6.352 -0.506 1.624) 6.576 9.842 ( -4.894 -11.223 -3.614) 12.766 9.862 ( -7.543 3.510 6.835) 10.767 10.226 ( -7.453 -9.164 2.224) 12.020 11.584 ( 9.720 4.198 -1.222) 10.658 11.618 ( 12.195 2.892 -0.910) 12.567 11.716 ( 8.076 -0.777 4.475) 9.266 11.772 ( 6.850 -2.740 5.870) 9.428 14.136 ( -10.948 3.009 -0.494) 11.365 14.256 ( -12.793 2.809 0.444) 13.105 14.579 ( -15.091 -13.206 -3.674) 20.387 14.711 ( -17.050 -14.687 -1.131) 22.532 14.849 ( 8.994 3.837 -16.990) 19.603 15.036 ( 0.254 -5.177 -15.353) 16.204 15.320 ( 8.864 8.156 8.987) 15.029 15.589 ( 2.906 -3.375 14.382) 15.056 20.239 ( -2.161 0.123 -1.146) 2.449 20.348 ( -3.236 -3.792 0.378) 4.999 22.179 ( 3.925 -0.586 4.094) 5.702 22.235 ( 1.847 -3.008 6.765) 7.630 ======================= Grid point 223 (115/160) ======================= q-point: ( 0.40 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 5.089 10.432 -2.822) 11.945 1.764 ( -3.881 5.845 -4.927) 8.574 1.836 ( 5.746 -1.792 -10.211) 11.853 1.973 ( -0.337 -4.159 -1.548) 4.450 2.067 ( -2.068 7.723 -0.423) 8.006 2.163 ( 1.885 1.443 4.177) 4.804 2.168 ( 2.594 1.183 -0.080) 2.852 2.201 ( 0.525 0.677 2.533) 2.674 2.290 ( 4.034 -0.455 3.011) 5.054 2.405 ( -3.870 0.935 0.070) 3.982 2.457 ( -1.379 -0.583 0.103) 1.501 2.532 ( -11.307 -1.199 3.468) 11.888 3.011 ( -2.966 -1.451 -4.562) 5.632 3.364 ( 1.042 -6.866 -0.070) 6.945 3.384 ( -8.181 -9.810 -17.500) 21.666 3.519 ( -0.838 1.548 -0.669) 1.883 3.805 ( -2.057 -4.550 -25.477) 25.962 3.846 ( -3.641 3.824 7.149) 8.887 4.033 ( -16.994 -14.795 0.380) 22.535 4.113 ( -13.821 -8.568 -23.929) 28.932 4.525 ( -0.825 7.704 4.557) 8.989 4.719 ( 10.534 4.548 -4.144) 12.199 4.774 ( 6.506 8.422 0.073) 10.643 4.910 ( 2.853 12.173 -3.603) 13.012 5.053 ( 1.670 -3.797 1.358) 4.365 5.112 ( -3.586 10.827 -0.260) 11.409 5.414 ( 4.145 2.393 1.099) 4.911 5.617 ( 0.910 -1.815 -2.855) 3.503 5.814 ( 2.558 7.309 5.509) 9.504 6.030 ( 0.057 -0.956 3.010) 3.159 6.167 ( 1.141 4.591 3.139) 5.677 6.300 ( -7.842 4.407 4.504) 10.060 6.713 ( 1.222 2.918 -8.875) 9.422 6.873 ( -2.078 -3.329 -9.908) 10.657 7.460 ( 0.804 -4.561 -5.679) 7.328 7.498 ( 2.107 -5.153 -5.479) 7.811 8.984 ( 6.849 7.863 6.237) 12.151 9.020 ( 4.614 14.139 -2.418) 15.068 9.115 ( 7.289 10.816 5.621) 14.203 9.252 ( 8.757 -5.843 7.514) 12.934 9.516 ( -5.478 -1.679 5.809) 8.159 9.656 ( -9.297 -0.283 -1.606) 9.439 9.876 ( -2.017 -4.948 2.597) 5.940 10.100 ( -7.774 -6.292 -1.686) 10.142 11.719 ( 6.049 4.709 1.516) 7.814 11.797 ( 7.507 2.589 1.304) 8.047 11.859 ( 5.218 0.847 2.907) 6.033 11.910 ( 1.661 -3.066 5.871) 6.829 14.019 ( -2.584 -5.562 -0.233) 6.137 14.101 ( -5.910 -6.934 -0.038) 9.111 14.299 ( -13.802 -13.432 -1.025) 19.287 14.404 ( -17.052 -16.533 -0.409) 23.754 14.826 ( 8.497 2.807 -14.313) 16.880 14.905 ( 4.816 -1.045 -15.699) 16.455 15.560 ( 8.832 7.344 6.506) 13.201 15.736 ( -1.699 -0.362 8.812) 8.982 20.186 ( -1.724 -5.352 -1.458) 5.809 20.278 ( -4.357 -8.642 -1.074) 9.738 22.304 ( 3.463 0.749 6.458) 7.366 22.341 ( 0.213 -1.022 8.041) 8.109 ======================= Grid point 224 (116/160) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 1.644 6.798 -6.869) 9.803 1.685 ( 3.470 -2.757 -6.125) 7.560 1.808 ( 5.590 0.234 -8.436) 10.123 1.887 ( -2.854 -3.282 -6.511) 7.830 2.058 ( -3.806 1.497 0.154) 4.092 2.106 ( -3.939 5.755 -0.507) 6.992 2.204 ( 2.284 6.977 -0.026) 7.342 2.268 ( -0.179 1.055 3.718) 3.868 2.318 ( -5.168 4.742 2.445) 7.428 2.342 ( -5.248 0.695 5.483) 7.621 2.429 ( 0.251 -0.937 -1.928) 2.158 2.524 ( 4.411 1.466 6.963) 8.372 2.912 ( 3.947 -3.435 -16.874) 17.666 3.065 ( -1.371 -7.460 -17.632) 19.194 3.443 ( -8.632 -13.894 0.509) 16.365 3.504 ( 8.550 -17.571 -0.362) 19.544 3.605 ( -15.791 -12.047 -16.274) 25.678 3.630 ( 18.321 -14.358 -17.437) 29.084 3.851 ( -5.072 7.856 6.254) 11.250 3.921 ( -0.760 2.707 2.987) 4.102 4.567 ( 0.025 9.920 2.681) 10.277 4.784 ( -0.369 7.177 -3.331) 7.921 4.860 ( -2.121 6.830 -1.945) 7.411 4.890 ( 8.403 0.576 0.846) 8.465 5.010 ( -9.109 10.985 1.320) 14.331 5.166 ( 9.771 2.788 -1.993) 10.355 5.437 ( -7.745 4.190 2.115) 9.056 5.592 ( 6.585 -0.026 -2.959) 7.220 5.931 ( 3.272 3.770 4.300) 6.588 6.061 ( -1.037 -0.819 0.958) 1.633 6.234 ( -6.184 4.290 6.644) 10.039 6.260 ( 3.281 5.533 2.212) 6.802 6.622 ( 0.372 0.753 -8.631) 8.672 6.712 ( -1.233 -4.047 -8.999) 9.944 7.407 ( 0.272 -5.864 -5.090) 7.770 7.464 ( 1.424 -7.086 -6.356) 9.625 9.040 ( 0.037 13.497 -0.553) 13.508 9.071 ( 1.946 14.793 -1.539) 15.000 9.295 ( 2.107 3.556 8.589) 9.532 9.488 ( -7.548 7.700 4.423) 11.654 9.515 ( 7.514 -4.266 7.534) 11.464 9.548 ( 0.209 -7.941 1.773) 8.139 9.867 ( -0.608 -5.172 1.330) 5.375 9.968 ( -3.700 -4.366 -2.968) 6.447 11.803 ( 1.163 3.707 2.393) 4.563 11.837 ( -2.981 4.096 0.824) 5.132 11.955 ( -2.821 -1.478 4.000) 5.113 11.981 ( 3.413 -0.727 3.112) 4.676 14.017 ( -1.827 -11.564 0.677) 11.727 14.053 ( 1.316 -12.769 -0.992) 12.875 14.185 ( 1.367 -12.017 0.326) 12.098 14.218 ( 0.002 -12.269 -1.837) 12.405 14.765 ( 0.342 1.711 -9.582) 9.739 14.792 ( -1.142 0.615 -10.535) 10.614 15.741 ( -4.435 4.006 4.417) 7.431 15.750 ( 4.847 3.563 3.939) 7.190 20.171 ( 1.713 -8.394 -0.458) 8.579 20.202 ( -2.181 -9.624 -1.869) 10.044 22.413 ( -1.845 0.574 6.385) 6.671 22.424 ( 2.109 0.161 5.854) 6.225 ======================= Grid point 225 (117/160) ======================= q-point: (-0.40 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -2.721 6.675 -7.668) 10.524 1.693 ( 1.596 -7.797 -5.395) 9.614 1.768 ( -2.529 0.561 -1.495) 2.991 1.871 ( 7.500 -0.394 -0.706) 7.544 2.026 ( 2.893 1.281 -0.093) 3.165 2.139 ( 3.500 0.529 6.220) 7.156 2.211 ( 0.934 5.229 -1.851) 5.625 2.266 ( -4.595 -0.796 3.822) 6.030 2.315 ( -1.928 0.017 7.287) 7.538 2.361 ( 1.876 3.931 1.527) 4.616 2.405 ( 0.495 0.828 -1.888) 2.120 2.701 ( 7.314 -6.432 0.877) 9.779 2.755 ( 1.929 0.486 -15.264) 15.394 3.039 ( 18.308 6.717 -8.673) 21.342 3.176 ( -12.052 -9.016 -8.557) 17.313 3.377 ( -1.646 -5.035 0.191) 5.300 3.680 ( 1.931 -0.193 0.488) 2.001 3.790 ( 12.740 -9.371 -4.457) 16.431 3.906 ( 9.377 -10.736 5.328) 15.218 4.029 ( 10.736 -5.946 0.474) 12.282 4.534 ( -6.694 13.717 -3.175) 15.590 4.679 ( -5.278 9.439 2.235) 11.043 4.778 ( -7.275 13.213 -0.667) 15.098 4.910 ( -0.837 1.224 -1.931) 2.435 5.055 ( 7.925 -3.781 0.880) 8.825 5.229 ( -8.718 -4.275 6.796) 11.852 5.372 ( 9.144 10.575 -8.979) 16.615 5.695 ( 6.566 0.490 -0.673) 6.619 5.954 ( -7.149 0.576 -2.147) 7.486 6.004 ( -2.635 0.653 3.518) 4.443 6.222 ( -1.550 7.105 2.999) 7.867 6.365 ( 3.488 5.214 5.300) 8.212 6.531 ( -0.636 1.300 -4.225) 4.466 6.680 ( 5.813 -1.593 -5.869) 8.413 7.350 ( -1.581 -6.261 -2.748) 7.017 7.389 ( -2.535 -6.540 -4.913) 8.564 8.982 ( -4.674 13.335 -1.353) 14.195 9.082 ( 0.843 13.912 -1.738) 14.045 9.281 ( -9.697 3.734 2.626) 10.718 9.454 ( -4.503 2.271 4.977) 7.086 9.508 ( -4.599 -6.826 -0.329) 8.237 9.707 ( 7.762 -3.387 0.169) 8.471 9.945 ( 4.383 -2.925 0.105) 5.270 9.960 ( 7.005 -4.393 4.093) 9.226 11.740 ( -9.850 6.165 1.003) 11.664 11.797 ( -5.431 2.467 1.622) 6.182 11.904 ( -6.642 0.515 1.547) 6.839 12.024 ( -1.605 -3.166 1.426) 3.825 14.010 ( 3.109 -4.674 -0.206) 5.618 14.089 ( 5.053 -5.831 0.201) 7.718 14.309 ( 14.383 -13.341 -2.424) 19.767 14.405 ( 18.412 -17.813 0.537) 25.624 14.612 ( -9.660 0.889 -4.640) 10.753 14.623 ( -6.969 -0.625 -3.573) 7.857 15.647 ( -8.874 9.288 1.452) 12.928 15.867 ( 3.501 -0.612 1.649) 3.918 20.176 ( 1.306 -6.635 -1.306) 6.887 20.235 ( 5.282 -8.607 0.972) 10.145 22.419 ( -3.961 1.798 2.809) 5.178 22.495 ( 0.343 -1.557 2.618) 3.065 ======================= Grid point 226 (118/160) ======================= q-point: (-0.30 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 1.846 11.772 5.032) 12.934 1.640 ( -1.673 6.273 0.942) 6.560 1.778 ( 3.488 -5.867 -0.485) 6.843 1.935 ( -3.448 0.379 2.853) 4.492 2.120 ( 9.141 0.267 -4.186) 10.058 2.178 ( 0.591 3.079 -1.806) 3.618 2.232 ( -0.803 -2.252 -0.809) 2.524 2.253 ( -4.318 -3.105 -0.579) 5.350 2.362 ( 0.527 -1.365 -1.989) 2.469 2.392 ( 10.909 -3.689 1.076) 11.566 2.493 ( 1.115 2.214 0.817) 2.610 2.746 ( 12.278 -1.512 7.698) 14.570 2.891 ( 6.575 -5.257 -5.790) 10.217 2.971 ( -4.273 -3.267 14.141) 15.130 3.284 ( 15.657 17.279 -4.045) 23.666 3.457 ( 8.715 8.287 0.657) 12.045 3.634 ( -4.660 8.847 2.727) 10.364 3.904 ( 3.099 -2.375 2.039) 4.405 4.151 ( 6.242 -6.032 3.248) 9.268 4.216 ( 9.942 -12.035 -1.084) 15.648 4.398 ( 0.239 5.712 -0.944) 5.794 4.571 ( -9.833 19.324 1.169) 21.714 4.788 ( 6.508 5.796 -1.853) 8.910 4.871 ( -2.399 0.062 -3.098) 3.919 5.053 ( -2.138 -0.436 7.060) 7.390 5.282 ( 3.439 0.968 1.882) 4.038 5.392 ( 7.532 0.078 -11.544) 13.784 5.633 ( -8.446 0.664 -7.064) 11.031 5.915 ( 3.927 3.390 1.302) 5.349 6.005 ( -2.017 1.974 3.417) 4.431 6.248 ( 2.830 4.769 -0.088) 5.546 6.457 ( -1.182 -3.911 5.650) 6.972 6.531 ( 1.825 10.617 2.542) 11.069 6.721 ( 6.163 -1.467 -5.133) 8.153 7.282 ( -7.223 -1.916 1.502) 7.622 7.306 ( -2.610 -5.626 1.606) 6.407 8.885 ( -5.242 11.027 -0.526) 12.221 9.035 ( -3.782 9.999 -3.285) 11.184 9.128 ( -7.735 6.298 -1.452) 10.080 9.323 ( -8.343 -4.124 -6.012) 11.080 9.494 ( -2.043 -6.148 5.551) 8.532 9.830 ( 8.775 -5.649 -1.621) 10.561 10.030 ( 6.713 -0.155 -0.917) 6.777 10.173 ( 10.645 -3.335 4.608) 12.070 11.541 ( -15.727 7.785 1.173) 17.587 11.658 ( -11.703 3.895 -0.419) 12.342 11.797 ( -7.720 -0.874 0.357) 7.777 11.962 ( -6.096 -4.969 -1.159) 7.949 14.118 ( 9.067 3.850 -0.749) 9.879 14.251 ( 11.693 3.821 1.506) 12.393 14.342 ( -10.602 -1.435 2.467) 10.980 14.385 ( -10.755 0.852 0.031) 10.789 14.678 ( 18.645 -15.061 0.686) 23.978 14.799 ( 25.312 -19.627 0.419) 32.033 15.499 ( -9.603 14.100 -0.640) 17.072 15.894 ( -0.355 -3.912 -1.543) 4.221 20.206 ( 2.857 -0.680 -0.191) 2.943 20.340 ( 5.086 -5.707 1.106) 7.724 22.351 ( -5.307 1.973 -1.071) 5.762 22.492 ( -1.217 -4.050 -1.868) 4.623 ======================= Grid point 227 (119/160) ======================= q-point: (-0.20 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 2.860 13.021 6.531) 14.845 1.654 ( -2.845 10.147 5.809) 12.033 1.838 ( 2.903 2.334 -6.048) 7.103 1.900 ( -2.028 2.302 8.311) 8.859 2.107 ( -1.424 -0.351 -8.339) 8.467 2.126 ( 1.615 -2.941 -4.761) 5.824 2.174 ( -3.441 -5.036 -1.637) 6.315 2.299 ( 5.488 -0.007 -0.812) 5.548 2.334 ( -2.027 -5.417 4.022) 7.045 2.469 ( 5.018 -7.190 -13.484) 16.084 2.551 ( 5.885 0.351 -1.759) 6.152 2.776 ( 3.555 -4.297 -5.780) 8.032 3.160 ( 5.311 9.518 17.379) 20.514 3.327 ( 9.260 -0.516 22.946) 24.750 3.403 ( 3.886 13.405 6.569) 15.426 3.588 ( 3.245 12.832 5.214) 14.226 3.704 ( 5.369 8.837 3.275) 10.847 3.931 ( 0.014 8.277 0.647) 8.302 4.136 ( -9.414 5.902 5.789) 12.528 4.314 ( 9.717 -1.559 -6.138) 11.598 4.421 ( -6.124 13.111 3.885) 14.983 4.611 ( 12.106 5.711 0.572) 13.398 4.753 ( -4.411 4.058 -1.580) 6.198 4.788 ( -1.814 -0.124 -1.129) 2.140 5.147 ( -2.046 -4.487 -10.525) 11.623 5.354 ( 8.156 2.545 0.890) 8.590 5.444 ( 7.041 -0.408 3.169) 7.732 5.504 ( 5.383 1.390 -0.376) 5.573 5.918 ( -1.805 7.010 -4.609) 8.581 6.063 ( 4.518 1.026 2.297) 5.171 6.270 ( -0.205 3.202 -2.244) 3.916 6.492 ( -0.097 -3.110 3.370) 4.587 6.589 ( 1.890 6.474 0.874) 6.801 6.742 ( -1.446 -3.416 1.524) 4.010 7.222 ( -5.592 3.017 7.135) 9.554 7.301 ( -3.591 -3.491 5.108) 7.153 8.805 ( -5.573 8.218 0.993) 9.979 8.878 ( -4.986 6.272 -5.666) 9.813 9.006 ( -5.723 6.943 -7.673) 11.825 9.188 ( 1.548 -5.142 0.049) 5.370 9.514 ( -3.422 -5.061 4.724) 7.723 9.941 ( 6.379 -12.948 -2.022) 14.575 10.143 ( 9.795 5.430 -2.297) 11.433 10.388 ( 10.928 -4.846 1.385) 12.034 11.286 ( -16.499 9.230 2.451) 19.064 11.432 ( -14.359 6.063 -1.237) 15.636 11.661 ( -8.320 -4.036 -1.002) 9.301 11.804 ( -9.129 -6.078 -4.290) 11.777 14.115 ( -11.679 1.822 8.155) 14.361 14.170 ( -14.253 -0.757 10.759) 17.874 14.429 ( 14.319 10.732 0.911) 17.918 14.567 ( 19.342 11.756 0.998) 22.656 15.024 ( 21.296 -15.620 -0.172) 26.411 15.196 ( 18.592 -11.929 -1.568) 22.145 15.340 ( -4.610 11.602 -1.238) 12.545 15.817 ( -3.832 -5.935 -5.809) 9.146 20.247 ( 1.718 6.469 0.366) 6.703 20.394 ( 0.365 0.625 -0.232) 0.760 22.235 ( -5.006 0.163 -3.804) 6.289 22.419 ( -1.800 -7.175 -6.016) 9.534 ======================= Grid point 228 (120/160) ======================= q-point: (-0.10 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -4.760 10.261 -3.781) 11.926 1.647 ( -5.764 6.322 4.085) 9.480 1.816 ( -1.533 8.602 4.659) 9.902 1.941 ( -3.002 6.906 -8.278) 11.191 1.997 ( -0.290 3.329 1.788) 3.790 2.100 ( -0.023 -5.053 -1.827) 5.374 2.154 ( 2.992 -0.883 -3.443) 4.646 2.307 ( -1.369 -7.724 -8.944) 11.897 2.376 ( 5.171 -6.021 1.443) 8.067 2.429 ( 2.551 -7.105 4.430) 8.753 2.622 ( 7.754 2.640 -4.596) 9.393 2.808 ( 6.517 -3.270 -4.808) 8.734 3.244 ( -0.729 8.868 -0.088) 8.898 3.497 ( -0.659 -0.399 0.906) 1.189 3.679 ( 3.240 12.498 2.679) 13.186 3.773 ( -0.161 15.896 20.676) 26.081 3.850 ( 2.327 0.528 26.346) 26.454 3.959 ( -2.780 15.035 6.744) 16.711 4.089 ( -2.935 6.219 3.627) 7.775 4.310 ( -2.171 3.926 -1.619) 4.769 4.499 ( 9.950 14.119 -0.610) 17.283 4.677 ( -4.078 14.871 0.286) 15.422 4.708 ( -1.476 4.133 2.871) 5.245 4.765 ( 3.335 10.245 -4.082) 11.521 5.143 ( 8.319 -6.948 -2.852) 11.208 5.278 ( -0.207 -5.975 -4.607) 7.548 5.534 ( 0.157 8.254 -2.981) 8.777 5.738 ( -1.060 7.083 -0.260) 7.166 5.877 ( 9.366 6.657 3.431) 11.992 6.083 ( -3.751 -5.653 -3.182) 7.494 6.277 ( 6.498 1.436 -0.391) 6.666 6.518 ( 0.057 -2.222 0.192) 2.231 6.634 ( 5.560 0.135 -1.597) 5.787 6.713 ( -7.169 -2.432 5.732) 9.496 7.221 ( -6.949 2.561 7.125) 10.276 7.296 ( -0.911 -2.792 2.025) 3.568 8.673 ( -7.386 5.804 -1.289) 9.482 8.816 ( -3.616 4.814 -8.155) 10.137 8.883 ( 5.293 8.765 2.264) 10.486 9.299 ( 6.441 -7.240 0.946) 9.736 9.503 ( -4.905 -0.353 7.853) 9.266 9.975 ( 2.742 -13.682 -4.600) 14.693 10.285 ( 9.058 3.330 -1.792) 9.816 10.540 ( 8.279 -6.903 -3.327) 11.281 11.115 ( -9.768 9.033 5.352) 14.341 11.188 ( -12.796 7.233 0.822) 14.722 11.498 ( -8.219 -5.016 -4.365) 10.572 11.602 ( -6.320 -6.902 -6.116) 11.180 14.093 ( -6.813 1.495 15.926) 17.386 14.158 ( -8.233 -1.253 19.942) 21.611 14.688 ( 15.367 16.172 -1.020) 22.332 14.860 ( 13.778 15.623 -0.256) 20.832 15.106 ( -8.298 17.340 -5.285) 19.937 15.327 ( 15.611 -12.496 -2.530) 20.155 15.536 ( 12.624 -13.395 -0.214) 18.408 15.651 ( -5.017 -7.532 -8.764) 12.598 20.266 ( 0.357 12.710 0.117) 12.715 20.354 ( -3.577 9.128 -0.759) 9.833 22.118 ( -2.953 -3.438 -4.411) 6.324 22.307 ( -1.170 -10.120 -8.649) 13.363 ======================= Grid point 229 (121/160) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -7.338 -4.001 -5.427) 9.966 1.464 ( -7.338 4.001 -5.427) 9.966 1.913 ( 0.861 -1.342 -6.736) 6.922 1.913 ( 0.861 1.342 -6.736) 6.922 2.037 ( 1.492 -5.976 -3.341) 7.007 2.037 ( 1.492 5.976 -3.341) 7.007 2.236 ( -3.563 -7.205 6.098) 10.090 2.236 ( -3.563 7.205 6.098) 10.090 2.407 ( 4.182 -3.663 4.393) 7.086 2.407 ( 4.182 3.663 4.393) 7.086 2.761 ( 3.754 -4.153 -4.158) 6.974 2.761 ( 3.754 4.153 -4.158) 6.974 3.310 ( -0.690 -5.150 -4.326) 6.760 3.310 ( -0.690 5.150 -4.326) 6.760 3.992 ( 3.798 -8.018 1.379) 8.979 3.992 ( 3.798 8.018 1.379) 8.979 4.137 ( -2.440 -6.851 0.368) 7.282 4.137 ( -2.440 6.851 0.368) 7.282 4.341 ( -2.731 -4.181 26.010) 26.485 4.341 ( -2.731 4.181 26.010) 26.485 4.724 ( -3.882 -3.417 7.675) 9.254 4.724 ( -3.882 3.417 7.675) 9.254 5.014 ( 3.201 -8.036 -6.771) 10.984 5.014 ( 3.201 8.036 -6.771) 10.984 5.135 ( 5.014 -2.972 -1.108) 5.933 5.135 ( 5.014 2.972 -1.108) 5.933 5.607 ( -7.816 -2.837 -7.122) 10.948 5.607 ( -7.816 2.837 -7.122) 10.948 6.009 ( 3.339 -9.018 -0.657) 9.639 6.009 ( 3.339 9.018 -0.657) 9.639 6.401 ( 1.125 -5.342 -0.524) 5.484 6.401 ( 1.125 5.342 -0.524) 5.484 6.662 ( 1.257 -2.495 0.406) 2.823 6.662 ( 1.257 2.495 0.406) 2.823 7.256 ( -0.373 -4.214 3.437) 5.451 7.256 ( -0.373 4.214 3.437) 5.451 8.746 ( -0.294 -5.684 0.646) 5.728 8.746 ( -0.294 5.684 0.646) 5.728 9.186 ( 0.832 -7.124 4.168) 8.296 9.186 ( 0.832 7.124 4.168) 8.296 9.682 ( 0.892 -10.618 -0.263) 10.659 9.682 ( 0.892 10.618 -0.263) 10.659 10.407 ( -1.420 -5.229 -5.001) 7.374 10.407 ( -1.420 5.229 -5.001) 7.374 11.157 ( -1.654 -5.435 0.232) 5.686 11.157 ( -1.654 5.435 0.232) 5.686 11.363 ( 0.742 -5.284 -2.584) 5.929 11.363 ( 0.742 5.284 -2.584) 5.929 14.314 ( 0.609 -2.587 23.164) 23.316 14.314 ( 0.609 2.587 23.164) 23.316 15.103 ( 0.458 -7.118 -12.542) 14.428 15.103 ( 0.458 7.118 -12.542) 14.428 15.267 ( -1.995 -15.897 0.959) 16.050 15.267 ( -1.995 15.897 0.959) 16.050 15.369 ( 1.687 -11.061 -3.929) 11.858 15.369 ( 1.687 11.061 -3.929) 11.858 20.464 ( -0.506 -1.139 1.155) 1.699 20.464 ( -0.506 1.139 1.155) 1.699 22.013 ( 0.016 -4.332 -6.760) 8.029 22.013 ( 0.016 4.332 -6.760) 8.029 ======================= Grid point 231 (122/160) ======================= q-point: ( 0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 1.603 -0.912 4.586) 4.943 1.402 ( 1.603 0.912 4.586) 4.943 1.877 ( 3.131 -1.775 -4.833) 6.026 1.877 ( 3.131 1.775 -4.833) 6.026 2.039 ( 1.794 -2.958 -1.297) 3.694 2.039 ( 1.794 2.958 -1.297) 3.694 2.247 ( -3.347 -6.082 5.108) 8.619 2.247 ( -3.347 6.082 5.108) 8.619 2.461 ( 0.314 -3.973 -0.688) 4.045 2.461 ( 0.314 3.973 -0.688) 4.045 2.660 ( -8.890 -4.418 -5.287) 11.247 2.660 ( -8.890 4.418 -5.287) 11.247 3.310 ( 4.367 -1.871 -1.404) 4.954 3.310 ( 4.367 1.871 -1.404) 4.954 4.014 ( -0.857 -4.544 -3.256) 5.656 4.014 ( -0.857 4.544 -3.256) 5.656 4.159 ( 4.705 -2.734 2.564) 6.015 4.159 ( 4.705 2.734 2.564) 6.015 4.515 ( -6.975 -2.948 13.852) 15.787 4.515 ( -6.975 2.948 13.852) 15.787 4.783 ( -3.231 -10.751 7.485) 13.492 4.783 ( -3.231 10.751 7.485) 13.492 4.932 ( -9.094 -8.234 -3.481) 12.752 4.932 ( -9.094 8.234 -3.481) 12.752 5.088 ( 0.534 -4.798 -1.510) 5.059 5.088 ( 0.534 4.798 -1.510) 5.059 5.452 ( -4.599 -4.241 -2.597) 6.774 5.452 ( -4.599 4.241 -2.597) 6.774 6.008 ( -0.387 -10.195 -2.775) 10.573 6.008 ( -0.387 10.195 -2.775) 10.573 6.418 ( 1.587 -1.398 -1.114) 2.390 6.418 ( 1.587 1.398 -1.114) 2.390 6.706 ( 4.399 -7.441 -0.739) 8.676 6.706 ( 4.399 7.441 -0.739) 8.676 7.339 ( 6.357 -5.311 2.279) 8.592 7.339 ( 6.357 5.311 2.279) 8.592 8.794 ( 5.202 -6.460 -0.396) 8.304 8.794 ( 5.202 6.460 -0.396) 8.304 9.181 ( -5.191 -1.445 0.808) 5.449 9.181 ( -5.191 1.445 0.808) 5.449 9.699 ( 1.317 -6.116 -0.417) 6.270 9.699 ( 1.317 6.116 -0.417) 6.270 10.247 ( -11.460 -1.653 -0.839) 11.609 10.247 ( -11.460 1.653 -0.839) 11.609 11.250 ( 10.202 -2.492 1.646) 10.630 11.250 ( 10.202 2.492 1.646) 10.630 11.400 ( 6.691 -1.555 -2.307) 7.246 11.400 ( 6.691 1.555 -2.307) 7.246 14.623 ( 3.357 -5.278 20.173) 21.121 14.623 ( 3.357 5.278 20.173) 21.121 14.886 ( -6.062 -8.233 -12.314) 16.005 14.886 ( -6.062 8.233 -12.314) 16.005 15.192 ( -8.563 -4.291 0.934) 9.624 15.192 ( -8.563 4.291 0.934) 9.624 15.277 ( -5.711 -3.764 -5.693) 8.899 15.277 ( -5.711 3.764 -5.693) 8.899 20.446 ( -3.231 -2.000 1.023) 3.935 20.446 ( -3.231 2.000 1.023) 3.935 21.989 ( 4.157 -2.416 -3.335) 5.851 21.989 ( 4.157 2.416 -3.335) 5.851 ======================= Grid point 233 (123/160) ======================= q-point: ( 0.20 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 5.530 -7.303 9.301) 13.054 1.570 ( 5.530 7.303 9.301) 13.054 1.900 ( 3.187 -4.469 -0.068) 5.489 1.900 ( 3.187 4.469 -0.068) 5.489 2.058 ( 3.207 -1.863 -2.943) 4.735 2.058 ( 3.207 1.863 -2.943) 4.735 2.210 ( -5.614 -4.698 -1.130) 7.407 2.210 ( -5.614 4.698 -1.130) 7.407 2.387 ( -4.846 -8.395 -1.729) 9.846 2.387 ( -4.846 8.395 -1.729) 9.846 2.503 ( -3.354 -4.732 -0.735) 5.847 2.503 ( -3.354 4.732 -0.735) 5.847 3.393 ( 5.370 -2.172 1.430) 5.967 3.393 ( 5.370 2.172 1.430) 5.967 3.881 ( -9.840 -7.912 -5.711) 13.858 3.881 ( -9.840 7.912 -5.711) 13.858 4.279 ( -3.311 -5.651 8.214) 10.506 4.279 ( -3.311 5.651 8.214) 10.506 4.421 ( -12.383 -12.685 -1.525) 17.793 4.421 ( -12.383 12.685 -1.525) 17.793 4.661 ( -10.196 -8.076 -0.047) 13.007 4.661 ( -10.196 8.076 -0.047) 13.007 4.794 ( 2.654 -3.599 -4.501) 6.345 4.794 ( 2.654 3.599 -4.501) 6.345 5.176 ( 10.317 -2.180 -9.367) 14.105 5.176 ( 10.317 2.180 -9.367) 14.105 5.379 ( -6.859 -4.384 7.657) 11.176 5.379 ( -6.859 4.384 7.657) 11.176 5.958 ( -1.628 -7.008 -1.509) 7.351 5.958 ( -1.628 7.008 -1.509) 7.351 6.416 ( -1.406 -6.199 -0.366) 6.367 6.416 ( -1.406 6.199 -0.366) 6.367 6.780 ( 4.682 -8.008 0.533) 9.291 6.780 ( 4.682 8.008 0.533) 9.291 7.479 ( 7.812 -3.871 -0.987) 8.774 7.479 ( 7.812 3.871 -0.987) 8.774 8.871 ( 4.398 -4.905 -1.999) 6.885 8.871 ( 4.398 4.905 -1.999) 6.885 9.087 ( -2.674 -3.837 -0.931) 4.769 9.087 ( -2.674 3.837 -0.931) 4.769 9.687 ( -1.976 -5.247 -1.603) 5.832 9.687 ( -1.976 5.247 -1.603) 5.832 10.093 ( -9.529 -7.278 4.937) 12.967 10.093 ( -9.529 7.278 4.937) 12.967 11.463 ( 12.086 -1.122 1.464) 12.226 11.463 ( 12.086 1.122 1.464) 12.226 11.524 ( 9.858 -2.560 0.387) 10.193 11.524 ( 9.858 2.560 0.387) 10.193 14.588 ( -15.728 -8.667 -3.260) 18.251 14.588 ( -15.728 8.667 -3.260) 18.251 14.728 ( -12.709 -7.837 0.607) 14.943 14.728 ( -12.709 7.837 0.607) 14.943 15.080 ( -0.724 -8.617 -14.815) 17.154 15.080 ( -0.724 8.617 -14.815) 17.154 15.218 ( 3.147 -7.944 14.772) 17.065 15.218 ( 3.147 7.944 14.772) 17.065 20.380 ( -5.761 -2.773 0.368) 6.405 20.380 ( -5.761 2.773 0.368) 6.405 22.062 ( 5.517 -1.489 1.518) 5.913 22.062 ( 5.517 1.489 1.518) 5.913 ======================= Grid point 235 (124/160) ======================= q-point: ( 0.30 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 2.771 -10.425 0.176) 10.788 1.690 ( 2.771 10.425 0.176) 10.788 1.970 ( -0.449 -3.015 0.670) 3.120 1.970 ( -0.449 3.015 0.670) 3.120 2.072 ( 6.017 -2.402 -2.523) 6.953 2.072 ( 6.017 2.402 -2.523) 6.953 2.127 ( 0.133 -4.751 -0.115) 4.754 2.127 ( 0.133 4.751 -0.115) 4.754 2.360 ( -1.394 -7.213 3.086) 7.969 2.360 ( -1.394 7.213 3.086) 7.969 2.456 ( -1.780 -3.076 -0.915) 3.670 2.456 ( -1.780 3.076 -0.915) 3.670 3.465 ( -3.727 -3.305 -2.770) 5.700 3.465 ( -3.727 3.305 -2.770) 5.700 3.587 ( -15.053 -11.407 -0.444) 18.892 3.587 ( -15.053 11.407 -0.444) 18.892 4.006 ( -22.741 -16.223 1.835) 27.995 4.006 ( -22.741 16.223 1.835) 27.995 4.279 ( -5.815 -14.469 -11.358) 19.292 4.279 ( -5.815 14.469 -11.358) 19.292 4.629 ( 4.096 -8.153 -4.636) 10.235 4.629 ( 4.096 8.153 -4.636) 10.235 4.830 ( 9.029 -6.256 -2.390) 11.242 4.830 ( 9.029 6.256 -2.390) 11.242 5.163 ( 1.918 -4.555 -7.008) 8.575 5.163 ( 1.918 4.555 -7.008) 8.575 5.431 ( 3.625 -4.111 4.601) 7.156 5.431 ( 3.625 4.111 4.601) 7.156 5.939 ( -2.333 -5.986 3.416) 7.276 5.939 ( -2.333 5.986 3.416) 7.276 6.351 ( -5.079 -7.215 -1.052) 8.885 6.351 ( -5.079 7.215 -1.052) 8.885 6.849 ( 3.222 -6.922 -1.943) 7.879 6.849 ( 3.222 6.922 -1.943) 7.879 7.509 ( 0.533 -1.278 -5.971) 6.129 7.509 ( 0.533 1.278 -5.971) 6.129 8.922 ( 4.338 -6.957 3.859) 9.061 8.922 ( 4.338 6.957 3.859) 9.061 9.132 ( 6.608 -1.006 -0.001) 6.684 9.132 ( 6.608 1.006 -0.001) 6.684 9.610 ( -4.299 -7.985 -1.726) 9.232 9.610 ( -4.299 7.985 -1.726) 9.232 10.022 ( -7.389 -9.963 4.999) 13.374 10.022 ( -7.389 9.963 4.999) 13.374 11.659 ( 10.561 -0.579 0.872) 10.612 11.659 ( 10.561 0.579 0.872) 10.612 11.707 ( 8.124 -1.905 3.875) 9.200 11.707 ( 8.124 1.905 3.875) 9.200 14.269 ( -18.972 -8.106 -0.570) 20.639 14.269 ( -18.972 8.106 -0.570) 20.639 14.444 ( -18.731 -8.241 -0.341) 20.467 14.444 ( -18.731 8.241 -0.341) 20.467 14.940 ( 8.003 -4.482 -19.109) 21.196 14.940 ( 8.003 4.482 -19.109) 21.196 15.484 ( 6.173 -6.860 13.134) 16.052 15.484 ( 6.173 6.860 13.134) 16.052 20.272 ( -6.973 -3.029 -0.653) 7.631 20.272 ( -6.973 3.029 -0.653) 7.631 22.187 ( 4.350 -1.444 5.637) 7.265 22.187 ( 4.350 1.444 5.637) 7.265 ======================= Grid point 237 (125/160) ======================= q-point: ( 0.40 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 5.284 -8.316 -9.280) 13.535 1.714 ( 5.284 8.316 -9.280) 13.535 1.884 ( -3.120 -4.778 -4.027) 6.984 1.884 ( -3.120 4.778 -4.027) 6.984 2.148 ( 2.547 -1.595 -1.146) 3.216 2.148 ( 2.547 1.595 -1.146) 3.216 2.219 ( 6.038 -2.840 3.902) 7.730 2.219 ( 6.038 2.840 3.902) 7.730 2.369 ( -0.748 -9.552 1.322) 9.672 2.369 ( -0.748 9.552 1.322) 9.672 2.444 ( -0.838 -2.664 2.721) 3.900 2.444 ( -0.838 2.664 2.721) 3.900 3.120 ( -16.897 -11.641 -8.634) 22.261 3.120 ( -16.897 11.641 -8.634) 22.261 3.418 ( -14.336 -8.995 1.945) 17.036 3.418 ( -14.336 8.995 1.945) 17.036 3.816 ( -4.468 -7.002 -11.275) 14.004 3.816 ( -4.468 7.002 -11.275) 14.004 3.950 ( -5.534 -4.199 -11.256) 13.227 3.950 ( -5.534 4.199 -11.256) 13.227 4.673 ( 4.689 -5.605 -0.600) 7.332 4.673 ( 4.689 5.605 -0.600) 7.332 4.942 ( 3.531 -6.060 -1.445) 7.161 4.942 ( 3.531 6.060 -1.445) 7.161 5.162 ( 4.986 -7.698 -1.551) 9.302 5.162 ( 4.986 7.698 -1.551) 9.302 5.516 ( 1.300 -7.142 0.014) 7.259 5.516 ( 1.300 7.142 0.014) 7.259 5.960 ( 0.142 -5.696 4.004) 6.964 5.960 ( 0.142 5.696 4.004) 6.964 6.277 ( -3.096 -5.085 2.249) 6.364 6.277 ( -3.096 5.085 2.249) 6.364 6.797 ( -2.140 -4.527 -8.378) 9.761 6.797 ( -2.140 4.527 -8.378) 9.761 7.423 ( -0.259 -1.322 -6.390) 6.531 7.423 ( -0.259 1.322 -6.390) 6.531 9.115 ( 8.406 -5.789 7.948) 12.936 9.115 ( 8.406 5.789 7.948) 12.936 9.248 ( 5.882 -5.492 1.769) 8.240 9.248 ( 5.882 5.492 1.769) 8.240 9.525 ( -3.788 -9.357 -0.817) 10.128 9.525 ( -3.788 9.357 -0.817) 10.128 9.946 ( -7.115 -8.112 2.301) 11.033 9.946 ( -7.115 8.112 2.301) 11.033 11.811 ( 4.544 -3.283 2.863) 6.295 11.811 ( 4.544 3.283 2.863) 6.295 11.860 ( 5.497 -0.323 3.459) 6.503 11.860 ( 5.497 0.323 3.459) 6.503 14.003 ( -11.979 -3.318 -0.096) 12.430 14.003 ( -11.979 3.318 -0.096) 12.430 14.179 ( -11.703 -3.657 -0.613) 12.276 14.179 ( -11.703 3.657 -0.613) 12.276 14.877 ( 7.442 -1.930 -15.554) 17.350 14.877 ( 7.442 1.930 -15.554) 17.350 15.685 ( 3.319 -4.463 8.224) 9.928 15.685 ( 3.319 4.463 8.224) 9.928 20.154 ( -5.293 -2.528 -1.558) 6.069 20.154 ( -5.293 2.528 -1.558) 6.069 22.320 ( 2.334 -0.902 7.399) 7.811 22.320 ( 2.334 0.902 7.399) 7.811 ======================= Grid point 239 (126/160) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 2.095 -2.609 -15.796) 16.146 1.611 ( 2.095 2.609 -15.796) 16.146 1.832 ( 1.568 -1.468 -3.424) 4.042 1.832 ( 1.568 1.468 -3.424) 4.042 2.136 ( -2.933 -3.554 -1.107) 4.739 2.136 ( -2.933 3.554 -1.107) 4.739 2.302 ( -3.901 -1.698 2.067) 4.730 2.302 ( -3.901 1.698 2.067) 4.730 2.365 ( -0.144 -2.263 1.855) 2.930 2.365 ( -0.144 2.263 1.855) 2.930 2.467 ( 0.142 -7.276 2.257) 7.619 2.467 ( 0.142 7.276 2.257) 7.619 2.913 ( 2.167 -5.072 -4.191) 6.927 2.913 ( 2.167 5.072 -4.191) 6.927 3.289 ( -0.866 -1.190 0.261) 1.495 3.289 ( -0.866 1.190 0.261) 1.495 3.462 ( 0.651 -0.578 -25.217) 25.232 3.462 ( 0.651 0.578 -25.217) 25.232 3.959 ( -2.099 -1.404 7.135) 7.568 3.959 ( -2.099 1.404 7.135) 7.568 4.738 ( 4.362 -6.816 -2.216) 8.390 4.738 ( 4.362 6.816 -2.216) 8.390 4.920 ( 0.089 -1.558 -4.287) 4.562 4.920 ( 0.089 1.558 -4.287) 4.562 5.190 ( -4.954 -3.924 2.159) 6.678 5.190 ( -4.954 3.924 2.159) 6.678 5.529 ( 4.221 -5.122 -1.224) 6.749 5.529 ( 4.221 5.122 -1.224) 6.749 6.008 ( -0.722 -3.664 2.725) 4.623 6.008 ( -0.722 3.664 2.725) 4.623 6.310 ( 0.709 -1.983 5.066) 5.486 6.310 ( 0.709 1.983 5.066) 5.486 6.653 ( -1.249 -1.985 -8.261) 8.587 6.653 ( -1.249 1.985 -8.261) 8.587 7.359 ( 1.103 -1.872 -6.890) 7.225 7.359 ( 1.103 1.872 -6.890) 7.225 9.266 ( 1.270 -7.118 1.781) 7.447 9.266 ( 1.270 7.118 1.781) 7.447 9.343 ( 0.493 -11.290 2.513) 11.577 9.343 ( 0.493 11.290 2.513) 11.577 9.518 ( 2.052 -3.735 4.414) 6.135 9.518 ( 2.052 3.735 4.414) 6.135 9.864 ( -3.594 -4.717 0.748) 5.977 9.864 ( -3.594 4.717 0.748) 5.977 11.868 ( -1.774 -1.919 3.222) 4.149 11.868 ( -1.774 1.919 3.222) 4.149 11.950 ( 0.968 -1.739 2.360) 3.087 11.950 ( 0.968 1.739 2.360) 3.087 13.902 ( 0.163 -0.964 -0.134) 0.986 13.902 ( 0.163 0.964 -0.134) 0.986 14.076 ( 0.334 -1.142 -0.711) 1.386 14.076 ( 0.334 1.142 -0.711) 1.386 14.792 ( -0.403 -0.712 -10.185) 10.218 14.792 ( -0.403 0.712 -10.185) 10.218 15.785 ( 0.242 -0.248 4.450) 4.463 15.785 ( 0.242 0.248 4.450) 4.463 20.087 ( -0.301 -0.832 -1.398) 1.655 20.087 ( -0.301 0.832 -1.398) 1.655 22.421 ( 0.138 -0.295 6.216) 6.225 22.421 ( 0.138 0.295 6.216) 6.225 ======================= Grid point 241 (127/160) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 5.058 -5.970 -8.823) 11.793 1.514 ( 5.058 5.970 -8.823) 11.793 1.840 ( 1.366 -2.943 -0.283) 3.257 1.840 ( 1.366 2.943 -0.283) 3.257 2.099 ( 1.219 -4.964 2.200) 5.565 2.099 ( 1.219 4.964 2.200) 5.565 2.224 ( -6.001 -1.997 2.829) 6.928 2.224 ( -6.001 1.997 2.829) 6.928 2.366 ( -1.276 -4.003 -1.613) 4.500 2.366 ( -1.276 4.003 -1.613) 4.500 2.543 ( 5.731 -8.965 4.633) 11.605 2.543 ( 5.731 8.965 4.633) 11.605 2.863 ( -1.103 -10.507 -11.307) 15.474 2.863 ( -1.103 10.507 -11.307) 15.474 3.415 ( 17.310 -13.607 -1.233) 22.053 3.415 ( 17.310 13.607 -1.233) 22.053 3.449 ( 16.605 -12.857 -5.885) 21.809 3.449 ( 16.605 12.857 -5.885) 21.809 3.966 ( -5.080 -4.268 4.676) 8.117 3.966 ( -5.080 4.268 4.676) 8.117 4.732 ( -1.265 -4.780 -3.260) 5.922 4.732 ( -1.265 4.780 -3.260) 5.922 4.930 ( 6.740 -5.984 -2.932) 9.477 4.930 ( 6.740 5.984 -2.932) 9.477 5.079 ( -11.327 -9.809 4.680) 15.697 5.079 ( -11.327 9.809 4.680) 15.697 5.602 ( 5.529 -9.422 -3.267) 11.403 5.602 ( 5.529 9.422 -3.267) 11.403 5.983 ( -4.759 -1.762 2.333) 5.586 5.983 ( -4.759 1.762 2.333) 5.586 6.358 ( -0.989 -4.744 2.753) 5.574 6.358 ( -0.989 4.744 2.753) 5.574 6.619 ( 5.317 -4.423 -4.061) 8.020 6.619 ( 5.317 4.423 -4.061) 8.020 7.295 ( -0.507 -1.602 -4.552) 4.852 7.295 ( -0.507 1.602 -4.552) 4.852 9.217 ( -6.662 -8.608 0.087) 10.885 9.217 ( -6.662 8.608 0.087) 10.885 9.338 ( -2.892 -9.934 -0.563) 10.362 9.338 ( -2.892 9.934 -0.563) 10.362 9.573 ( -0.541 -8.230 0.918) 8.299 9.573 ( -0.541 8.230 0.918) 8.299 9.915 ( 6.774 -0.858 3.627) 7.732 9.915 ( 6.774 0.858 3.627) 7.732 11.824 ( -7.652 -1.023 2.333) 8.065 11.824 ( -7.652 1.023 2.333) 8.065 11.942 ( -4.134 -3.935 0.823) 5.767 11.942 ( -4.134 3.935 0.823) 5.767 14.008 ( 12.700 -3.929 -0.193) 13.296 14.008 ( 12.700 3.929 -0.193) 13.296 14.173 ( 12.234 -3.531 -0.721) 12.754 14.173 ( 12.234 3.531 -0.721) 12.754 14.623 ( -9.677 -0.103 -4.203) 10.551 14.623 ( -9.677 0.103 -4.203) 10.551 15.803 ( -2.242 -5.512 1.650) 6.175 15.803 ( -2.242 5.512 1.650) 6.175 20.120 ( 5.335 -1.643 -0.243) 5.587 20.120 ( 5.335 1.643 -0.243) 5.587 22.458 ( -2.210 -1.921 2.765) 4.027 22.458 ( -2.210 1.921 2.765) 4.027 ======================= Grid point 243 (128/160) ======================= q-point: (-0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 7.447 -7.484 0.349) 10.564 1.573 ( 7.447 7.484 0.349) 10.564 1.866 ( -1.952 -7.287 5.107) 9.110 1.866 ( -1.952 7.287 5.107) 9.110 2.117 ( -2.823 -2.911 -1.016) 4.180 2.117 ( -2.823 2.911 -1.016) 4.180 2.249 ( 4.194 -1.454 0.445) 4.461 2.249 ( 4.194 1.454 0.445) 4.461 2.336 ( 3.147 -2.020 -3.604) 5.194 2.336 ( 3.147 2.020 -3.604) 5.194 2.652 ( 1.721 -9.594 -9.724) 13.769 2.652 ( 1.721 9.594 -9.724) 13.769 2.853 ( 8.618 -4.177 16.902) 19.427 2.853 ( 8.618 4.177 16.902) 19.427 3.657 ( 11.247 -2.112 -2.899) 11.805 3.657 ( 11.247 2.112 -2.899) 11.805 3.729 ( 12.735 -12.141 2.786) 17.814 3.729 ( 12.735 12.141 2.786) 17.814 3.983 ( 8.972 -4.045 2.312) 10.110 3.983 ( 8.972 4.045 2.312) 10.110 4.646 ( -5.986 -12.536 -1.163) 13.940 4.646 ( -5.986 12.536 -1.163) 13.940 4.878 ( -8.100 -7.255 -1.289) 10.950 4.878 ( -8.100 7.255 -1.289) 10.950 5.139 ( 13.166 -9.415 0.871) 16.209 5.139 ( 13.166 9.415 0.871) 16.209 5.551 ( -5.464 -8.477 -6.705) 12.111 5.551 ( -5.464 8.477 -6.705) 12.111 5.990 ( 1.556 -3.071 4.701) 5.826 5.990 ( 1.556 3.071 4.701) 5.826 6.360 ( -0.374 -5.343 0.476) 5.377 6.360 ( -0.374 5.343 0.476) 5.377 6.670 ( 2.883 -3.391 -1.127) 4.591 6.670 ( 2.883 3.391 -1.127) 4.591 7.256 ( -2.264 -0.582 2.211) 3.217 7.256 ( -2.264 0.582 2.211) 3.217 9.099 ( -6.655 -8.518 -0.269) 10.813 9.099 ( -6.655 8.518 -0.269) 10.813 9.209 ( -9.023 -7.366 -3.921) 12.291 9.209 ( -9.023 7.366 -3.921) 12.291 9.587 ( 2.549 -13.467 -0.509) 13.715 9.587 ( 2.549 13.467 -0.509) 13.715 10.098 ( 9.944 -4.120 2.342) 11.016 10.098 ( 9.944 4.120 2.342) 11.016 11.673 ( -12.716 -3.726 1.002) 13.289 11.673 ( -12.716 3.726 1.002) 13.289 11.840 ( -8.127 -5.796 -0.868) 10.020 11.840 ( -8.127 5.796 -0.868) 10.020 14.251 ( 8.569 -7.586 -1.035) 11.490 14.251 ( 8.569 7.586 -1.035) 11.491 14.380 ( 6.575 -4.968 1.805) 8.436 14.380 ( 6.575 4.968 1.805) 8.436 14.507 ( 12.092 -3.850 1.406) 12.768 14.507 ( 12.092 3.850 1.406) 12.768 15.751 ( -4.369 -9.899 -1.236) 10.890 15.751 ( -4.369 9.899 -1.236) 10.890 20.236 ( 7.710 -3.643 0.668) 8.553 20.236 ( 7.710 3.643 0.668) 8.553 22.410 ( -4.380 -3.613 -1.535) 5.882 22.410 ( -4.380 3.613 -1.535) 5.882 ======================= Grid point 245 (129/160) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 7.803 -6.551 0.042) 10.189 1.729 ( 7.803 6.551 0.042) 10.189 1.874 ( -2.711 -6.463 4.981) 8.598 1.874 ( -2.711 6.463 4.981) 8.598 2.075 ( -1.497 -3.166 1.843) 3.958 2.075 ( -1.497 3.166 1.843) 3.958 2.255 ( -0.310 -4.847 -3.446) 5.955 2.255 ( -0.310 4.847 -3.446) 5.955 2.295 ( 0.850 -6.152 -10.097) 11.854 2.295 ( 0.850 6.152 -10.097) 11.854 2.642 ( 7.056 -6.773 -4.127) 10.615 2.642 ( 7.056 6.773 -4.127) 10.615 3.279 ( 8.447 -3.851 23.459) 25.229 3.279 ( 8.447 3.851 23.459) 25.229 3.661 ( -2.271 -9.252 -1.525) 9.648 3.661 ( -2.271 9.252 -1.525) 9.648 3.904 ( 5.189 -11.997 7.092) 14.871 3.904 ( 5.189 11.997 7.092) 14.871 4.294 ( 9.659 -2.247 5.238) 11.216 4.294 ( 9.659 2.247 5.238) 11.216 4.560 ( 4.082 -5.846 -1.112) 7.217 4.560 ( 4.082 5.846 -1.112) 7.217 4.783 ( 0.004 -1.492 -1.951) 2.456 4.783 ( 0.004 1.492 -1.951) 2.456 5.229 ( -2.260 -9.800 -13.533) 16.861 5.229 ( -2.260 9.800 -13.533) 16.861 5.507 ( 11.685 -2.966 4.508) 12.871 5.507 ( 11.685 2.966 4.508) 12.871 6.046 ( -0.704 -3.856 -0.542) 3.957 6.046 ( -0.704 3.856 -0.542) 3.957 6.378 ( 1.270 -6.796 1.507) 7.076 6.378 ( 1.270 6.796 1.507) 7.076 6.671 ( -3.082 -3.359 2.370) 5.138 6.671 ( -3.082 3.359 2.370) 5.138 7.262 ( -4.251 -1.471 6.784) 8.140 7.262 ( -4.251 1.471 6.784) 8.140 8.977 ( -10.553 -4.964 -1.711) 11.787 8.977 ( -10.553 4.964 -1.711) 11.787 9.049 ( -0.261 -7.978 -2.329) 8.315 9.049 ( -0.261 7.978 -2.329) 8.315 9.631 ( 2.589 -14.687 0.209) 14.915 9.631 ( 2.589 14.687 0.209) 14.915 10.272 ( 10.477 -6.301 -1.507) 12.319 10.272 ( 10.477 6.301 -1.507) 12.319 11.460 ( -13.430 -5.781 0.416) 14.627 11.460 ( -13.430 5.781 0.416) 14.627 11.663 ( -10.757 -6.106 -2.668) 12.653 11.663 ( -10.757 6.106 -2.668) 12.653 14.148 ( -13.965 -1.366 9.734) 17.078 14.148 ( -13.965 1.366 9.734) 17.078 14.696 ( 22.269 -14.073 0.403) 26.346 14.696 ( 22.269 14.073 0.403) 26.346 14.863 ( 23.491 -15.199 0.406) 27.982 14.863 ( 23.491 15.199 0.406) 27.982 15.631 ( -6.081 -12.171 -4.814) 14.432 15.631 ( -6.081 12.171 -4.814) 14.432 20.360 ( 5.889 -3.889 0.787) 7.101 20.360 ( 5.889 3.889 0.787) 7.101 22.288 ( -5.417 -4.907 -5.276) 9.014 22.288 ( -5.417 4.907 -5.276) 9.014 ======================= Grid point 247 (130/160) ======================= q-point: (-0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -6.930 -3.856 -6.134) 10.026 1.671 ( -6.930 3.856 -6.134) 10.026 1.950 ( 1.331 -7.779 1.134) 7.974 1.950 ( 1.331 7.779 1.134) 7.974 2.090 ( 0.860 -8.692 -7.849) 11.743 2.090 ( 0.860 8.692 -7.849) 11.743 2.195 ( 3.754 -8.523 2.570) 9.661 2.195 ( 3.754 8.523 2.570) 9.661 2.274 ( 0.011 -5.475 4.103) 6.842 2.274 ( 0.011 5.475 4.103) 6.842 2.709 ( 7.400 -5.257 -5.172) 10.447 2.709 ( 7.400 5.257 -5.172) 10.447 3.402 ( -3.335 -7.137 -3.380) 8.572 3.402 ( -3.335 7.137 -3.380) 8.572 3.822 ( 6.595 -3.027 15.688) 17.285 3.822 ( 6.595 3.027 15.688) 17.285 4.059 ( -1.519 -7.266 15.638) 17.311 4.059 ( -1.519 7.266 15.638) 17.311 4.268 ( -7.368 -9.402 1.875) 12.091 4.268 ( -7.368 9.402 1.875) 12.091 4.713 ( -1.822 -4.494 6.564) 8.161 4.713 ( -1.822 4.494 6.564) 8.161 4.921 ( 20.522 -8.944 -3.779) 22.703 4.921 ( 20.522 8.944 -3.779) 22.703 5.049 ( 0.590 -13.717 -8.843) 16.331 5.049 ( 0.590 13.717 -8.843) 16.331 5.737 ( 7.157 -8.686 -2.654) 11.563 5.737 ( 7.157 8.686 -2.654) 11.563 5.966 ( -1.905 -5.288 -2.564) 6.178 5.966 ( -1.905 5.288 -2.564) 6.178 6.402 ( -0.673 -7.900 0.883) 7.978 6.402 ( -0.673 7.900 0.883) 7.978 6.652 ( -2.971 -2.865 3.729) 5.563 6.652 ( -2.971 2.865 3.729) 5.563 7.256 ( -4.872 -1.350 5.422) 7.413 7.256 ( -4.872 1.350 5.422) 7.413 8.806 ( -6.908 -5.389 -0.911) 8.809 8.806 ( -6.908 5.389 -0.911) 8.809 9.095 ( 4.119 -11.264 2.407) 12.233 9.095 ( 4.119 11.264 2.407) 12.233 9.667 ( 1.163 -14.350 0.477) 14.405 9.667 ( 1.163 14.350 0.477) 14.405 10.394 ( 8.539 -6.753 -4.813) 11.903 10.394 ( 8.539 6.753 -4.813) 11.903 11.269 ( -10.348 -3.506 0.459) 10.935 11.269 ( -10.348 3.506 0.459) 10.935 11.459 ( -8.172 -4.680 -3.526) 10.056 11.459 ( -8.172 4.680 -3.526) 10.056 14.126 ( -7.796 -1.666 18.457) 20.105 14.126 ( -7.796 1.666 18.457) 20.105 15.019 ( 16.534 -15.011 -1.628) 22.391 15.019 ( 16.534 15.011 -1.628) 22.391 15.196 ( 14.989 -13.938 -0.480) 20.473 15.196 ( 14.989 13.938 -0.480) 20.473 15.453 ( -5.836 -11.165 -7.727) 14.779 15.453 ( -5.836 11.165 -7.727) 14.779 20.437 ( 2.426 -2.306 0.855) 3.454 20.437 ( 2.426 2.306 0.855) 3.454 22.132 ( -4.011 -5.320 -7.330) 9.906 22.132 ( -4.011 5.320 -7.330) 9.906 ======================= Grid point 279 (131/160) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -3.935 0.000 -1.635) 4.261 0.805 ( 3.935 0.000 1.635) 4.261 1.370 ( -7.777 0.000 -18.684) 20.238 1.370 ( 7.777 0.000 18.684) 20.238 2.099 ( -6.084 0.000 -10.899) 12.482 2.099 ( 6.084 0.000 10.899) 12.482 2.460 ( -2.832 0.000 -9.664) 10.071 2.460 ( 2.832 0.000 9.664) 10.071 2.592 ( 9.621 0.000 -6.941) 11.863 2.592 ( -9.621 0.000 6.941) 11.863 2.603 ( 3.185 0.000 -9.441) 9.963 2.603 ( -3.185 0.000 9.441) 9.963 3.064 ( 0.076 0.000 -3.572) 3.573 3.064 ( -0.076 0.000 3.572) 3.573 3.363 ( -8.391 0.000 -16.959) 18.921 3.363 ( 8.391 0.000 16.959) 18.921 3.468 ( -3.714 0.000 -6.897) 7.834 3.468 ( 3.714 0.000 6.897) 7.834 3.744 ( 2.722 0.000 -8.497) 8.922 3.744 ( -2.722 0.000 8.497) 8.922 4.080 ( 2.350 0.000 -10.744) 10.998 4.080 ( -2.350 0.000 10.744) 10.998 4.584 ( 7.883 0.000 -9.636) 12.450 4.584 ( -7.883 0.000 9.636) 12.450 4.925 ( 6.703 0.000 -4.599) 8.129 4.925 ( -6.703 0.000 4.599) 8.129 5.195 ( -6.708 0.000 -1.555) 6.886 5.195 ( 6.708 0.000 1.555) 6.886 5.647 ( -2.878 0.000 -20.143) 20.348 5.647 ( 2.878 0.000 20.143) 20.348 6.278 ( 2.221 0.000 -3.834) 4.431 6.278 ( -2.221 0.000 3.834) 4.431 6.452 ( -9.493 0.000 -9.930) 13.737 6.452 ( 9.493 0.000 9.930) 13.737 7.335 ( -3.057 0.000 -5.517) 6.307 7.335 ( 3.057 0.000 5.517) 6.307 8.527 ( 2.929 0.000 -7.170) 7.746 8.527 ( -2.929 0.000 7.170) 7.746 9.088 ( -6.606 0.000 -13.953) 15.438 9.088 ( 6.606 0.000 13.953) 15.438 10.035 ( -0.394 0.000 -10.086) 10.093 10.035 ( 0.394 0.000 10.086) 10.093 10.705 ( -0.204 0.000 -9.016) 9.018 10.705 ( 0.204 0.000 9.016) 9.018 11.191 ( 2.521 0.000 -16.359) 16.552 11.191 ( -2.521 0.000 16.359) 16.552 11.401 ( -1.898 0.000 -13.995) 14.124 11.401 ( 1.898 0.000 13.995) 14.124 13.858 ( -0.339 0.000 -2.573) 2.596 13.858 ( 0.339 0.000 2.573) 2.596 14.378 ( -3.493 0.000 -0.197) 3.498 14.378 ( 3.493 0.000 0.197) 3.498 14.966 ( -0.589 0.000 -27.580) 27.586 14.966 ( 0.589 0.000 27.580) 27.586 15.947 ( 0.430 0.000 -1.777) 1.829 15.947 ( -0.430 0.000 1.777) 1.829 19.765 ( -1.732 0.000 0.084) 1.734 19.765 ( 1.732 0.000 -0.084) 1.734 22.425 ( -0.375 0.000 -4.884) 4.899 22.425 ( 0.375 0.000 4.884) 4.899 ======================= Grid point 281 (132/160) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 8.779 0.000 -3.707) 9.529 0.929 ( 8.030 0.000 -1.370) 8.147 1.242 ( 18.036 0.000 -12.587) 21.994 1.726 ( 10.934 0.000 10.109) 14.891 1.905 ( -2.563 0.000 -9.894) 10.220 2.231 ( -3.034 0.000 -3.146) 4.370 2.393 ( 4.942 0.000 -1.418) 5.142 2.436 ( -4.322 0.000 0.879) 4.411 2.549 ( 2.917 0.000 -9.930) 10.350 2.562 ( -0.301 0.000 -0.145) 0.334 2.599 ( -0.977 0.000 -1.527) 1.813 2.748 ( 3.482 0.000 6.470) 7.348 2.858 ( -21.396 0.000 -7.688) 22.735 2.965 ( -1.023 0.000 -0.847) 1.328 3.065 ( -1.531 0.000 -11.994) 12.091 3.527 ( 13.690 0.000 1.687) 13.794 3.549 ( -2.013 0.000 4.053) 4.526 3.619 ( -1.931 0.000 7.749) 7.985 3.725 ( 6.390 0.000 -5.592) 8.491 3.856 ( 3.612 0.000 15.200) 15.623 4.087 ( 11.044 0.000 -13.718) 17.611 4.203 ( 7.907 0.000 -4.734) 9.216 4.583 ( -5.835 0.000 7.695) 9.658 4.617 ( 9.125 0.000 -9.204) 12.961 4.856 ( -4.531 0.000 2.711) 5.280 4.887 ( -0.883 0.000 -13.419) 13.448 5.107 ( -1.224 0.000 3.750) 3.944 5.305 ( 4.599 0.000 2.612) 5.289 5.563 ( 12.547 0.000 -8.890) 15.378 6.046 ( 15.121 0.000 11.196) 18.815 6.129 ( 1.233 0.000 -13.555) 13.611 6.188 ( -7.289 0.000 5.009) 8.844 6.395 ( -4.574 0.000 7.092) 8.439 6.838 ( 14.706 0.000 13.448) 19.928 7.253 ( 3.695 0.000 -8.022) 8.832 7.448 ( 3.561 0.000 4.119) 5.444 8.479 ( -0.046 0.000 -5.790) 5.790 8.568 ( -3.569 0.000 10.369) 10.966 8.726 ( -14.673 0.000 -12.167) 19.061 9.236 ( -6.419 0.000 13.481) 14.931 9.867 ( -4.372 0.000 -11.717) 12.506 10.114 ( -2.956 0.000 7.735) 8.280 10.547 ( -7.721 0.000 -7.736) 10.930 10.793 ( -3.667 0.000 9.017) 9.734 11.103 ( 7.725 0.000 -14.225) 16.187 11.298 ( 9.675 0.000 -11.553) 15.069 11.433 ( 8.693 0.000 14.580) 16.975 11.599 ( 3.526 0.000 10.972) 11.525 13.886 ( 7.269 0.000 -2.414) 7.659 13.953 ( 7.792 0.000 2.206) 8.098 14.342 ( 0.559 0.000 -2.044) 2.119 14.456 ( 7.101 0.000 -2.697) 7.596 14.690 ( 5.310 0.000 -24.620) 25.186 15.294 ( 2.857 0.000 22.399) 22.580 15.902 ( -3.518 0.000 -1.747) 3.928 15.930 ( -4.244 0.000 1.902) 4.650 19.826 ( 9.455 0.000 -0.677) 9.480 19.873 ( 11.554 0.000 -0.653) 11.573 22.367 ( -1.902 0.000 -1.920) 2.703 22.487 ( -1.543 0.000 7.304) 7.466 ======================= Grid point 282 (133/160) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 14.307 0.000 -8.648) 16.717 1.074 ( 15.515 0.000 -7.480) 17.224 1.500 ( 18.525 0.000 -4.444) 19.050 1.790 ( 0.169 0.000 -6.741) 6.744 1.893 ( 0.803 0.000 3.463) 3.555 2.150 ( -1.568 0.000 -3.944) 4.244 2.244 ( -10.311 0.000 -2.713) 10.662 2.357 ( -8.102 0.000 -8.440) 11.699 2.419 ( -14.383 0.000 -3.147) 14.724 2.528 ( -3.430 0.000 1.605) 3.787 2.591 ( 8.031 0.000 -4.513) 9.212 2.650 ( 4.418 0.000 7.242) 8.483 2.856 ( -1.653 0.000 7.570) 7.748 3.010 ( 7.925 0.000 -7.602) 10.981 3.085 ( 7.745 0.000 7.759) 10.963 3.472 ( -5.439 0.000 -11.519) 12.738 3.584 ( -0.347 0.000 1.892) 1.924 3.700 ( 11.356 0.000 -9.250) 14.647 3.941 ( 17.405 0.000 -13.493) 22.022 4.008 ( 6.914 0.000 -17.099) 18.443 4.151 ( 13.904 0.000 -14.303) 19.947 4.159 ( 4.032 0.000 15.467) 15.983 4.488 ( -12.000 0.000 2.912) 12.348 4.627 ( -2.900 0.000 -6.182) 6.828 4.769 ( 9.626 0.000 -5.606) 11.139 4.904 ( 6.231 0.000 -0.329) 6.240 5.233 ( 3.834 0.000 11.136) 11.778 5.405 ( 3.342 0.000 2.474) 4.158 5.760 ( 14.063 0.000 -0.957) 14.095 5.969 ( -10.478 0.000 -1.993) 10.666 6.045 ( 2.079 0.000 -8.047) 8.312 6.404 ( -3.619 0.000 7.494) 8.322 6.463 ( 9.449 0.000 7.312) 11.948 7.060 ( -1.548 0.000 2.974) 3.353 7.295 ( 13.264 0.000 -8.463) 15.734 7.564 ( 5.960 0.000 2.338) 6.402 8.391 ( -2.571 0.000 -5.435) 6.012 8.551 ( 3.058 0.000 3.703) 4.803 8.670 ( -1.450 0.000 13.488) 13.565 9.243 ( -10.826 0.000 14.263) 17.907 9.649 ( -5.048 0.000 -10.777) 11.901 10.115 ( -6.443 0.000 4.300) 7.746 10.299 ( -10.039 0.000 -7.220) 12.366 10.689 ( -10.986 0.000 -2.935) 11.372 11.200 ( 12.657 0.000 -2.162) 12.840 11.420 ( 14.379 0.000 -3.811) 14.876 11.719 ( 5.667 0.000 7.573) 9.458 11.767 ( 5.688 0.000 9.743) 11.281 14.037 ( 14.101 0.000 -1.884) 14.227 14.156 ( 14.350 0.000 1.300) 14.409 14.353 ( 7.199 0.000 -6.539) 9.725 14.473 ( 11.839 0.000 -19.657) 22.947 14.669 ( 10.258 0.000 -2.549) 10.570 15.534 ( 0.003 0.000 14.174) 14.174 15.788 ( -8.112 0.000 -1.742) 8.297 15.850 ( -8.361 0.000 2.106) 8.622 20.041 ( 17.164 0.000 -0.906) 17.188 20.103 ( 16.095 0.000 0.054) 16.095 22.323 ( -2.730 0.000 1.099) 2.943 22.537 ( -3.769 0.000 8.477) 9.277 ======================= Grid point 283 (134/160) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 14.506 0.000 -6.129) 15.747 1.188 ( 15.597 0.000 -18.150) 23.931 1.614 ( 7.344 0.000 -13.800) 15.632 1.789 ( -16.486 0.000 1.040) 16.519 1.789 ( 5.724 0.000 0.897) 5.794 2.036 ( -1.493 0.000 3.032) 3.379 2.193 ( 1.376 0.000 -0.574) 1.491 2.201 ( -9.842 0.000 7.240) 12.218 2.316 ( -0.920 0.000 0.381) 0.996 2.502 ( -2.561 0.000 4.083) 4.820 2.643 ( -6.656 0.000 6.262) 9.139 2.736 ( -1.718 0.000 4.717) 5.020 2.839 ( -7.263 0.000 2.134) 7.570 3.169 ( 15.800 0.000 -3.954) 16.287 3.276 ( -3.367 0.000 0.579) 3.416 3.306 ( 11.254 0.000 -10.071) 15.102 3.611 ( 0.963 0.000 -37.060) 37.073 3.628 ( 5.802 0.000 -2.603) 6.359 3.794 ( 13.249 0.000 -10.413) 16.851 3.967 ( 14.409 0.000 -11.418) 18.385 4.321 ( 1.203 0.000 -6.039) 6.157 4.383 ( -4.127 0.000 13.461) 14.079 4.506 ( -4.083 0.000 1.016) 4.207 4.610 ( 29.064 0.000 3.280) 29.248 4.949 ( 13.900 0.000 -2.225) 14.077 4.984 ( 6.528 0.000 -3.087) 7.221 5.399 ( -0.590 0.000 9.330) 9.348 5.454 ( 2.080 0.000 -1.963) 2.860 5.794 ( -6.997 0.000 -1.878) 7.244 5.871 ( -0.369 0.000 -1.303) 1.354 6.010 ( 0.210 0.000 -0.089) 0.228 6.469 ( 3.650 0.000 3.604) 5.130 6.550 ( -6.910 0.000 5.732) 8.978 6.989 ( -4.189 0.000 -2.198) 4.731 7.476 ( 17.339 0.000 -5.250) 18.117 7.651 ( 3.534 0.000 0.151) 3.537 8.286 ( -2.055 0.000 -5.121) 5.518 8.726 ( -4.563 0.000 6.481) 7.926 8.798 ( 8.062 0.000 7.667) 11.126 9.237 ( -10.474 0.000 15.044) 18.330 9.537 ( 3.088 0.000 -2.298) 3.849 9.942 ( -9.299 0.000 -6.842) 11.545 10.156 ( -4.751 0.000 0.580) 4.787 10.451 ( -12.000 0.000 -4.423) 12.789 11.380 ( 11.279 0.000 -1.025) 11.325 11.628 ( 12.081 0.000 1.010) 12.123 11.794 ( -0.856 0.000 2.648) 2.783 11.971 ( 4.599 0.000 6.548) 8.002 14.289 ( 18.776 0.000 -2.145) 18.898 14.419 ( 16.637 0.000 -5.422) 17.499 14.432 ( 11.921 0.000 -6.870) 13.758 14.505 ( 15.626 0.000 -8.379) 17.731 14.858 ( 14.026 0.000 -0.461) 14.033 15.595 ( -13.050 0.000 -1.694) 13.159 15.598 ( -7.391 0.000 6.029) 9.538 15.715 ( -11.104 0.000 3.336) 11.595 20.329 ( 18.055 0.000 -0.769) 18.072 20.370 ( 15.559 0.000 0.224) 15.561 22.308 ( -1.944 0.000 3.219) 3.760 22.549 ( -6.248 0.000 7.484) 9.749 ======================= Grid point 284 (135/160) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 17.599 0.000 -17.703) 24.962 1.261 ( 10.482 0.000 -2.084) 10.687 1.533 ( 2.628 0.000 -11.366) 11.666 1.586 ( -12.595 0.000 5.878) 13.899 1.931 ( 6.862 0.000 3.088) 7.525 2.073 ( 0.453 0.000 2.558) 2.598 2.172 ( -7.793 0.000 11.278) 13.709 2.185 ( -1.428 0.000 -1.630) 2.168 2.328 ( 2.049 0.000 -1.706) 2.666 2.519 ( -14.047 0.000 3.537) 14.485 2.580 ( 3.523 0.000 8.544) 9.242 2.722 ( -8.763 0.000 4.871) 10.026 2.781 ( 2.620 0.000 4.667) 5.352 3.042 ( -1.708 0.000 -28.070) 28.122 3.118 ( -9.989 0.000 -5.730) 11.515 3.248 ( -3.277 0.000 -14.636) 14.998 3.570 ( 17.131 0.000 -3.446) 17.474 3.725 ( 1.542 0.000 7.288) 7.449 3.935 ( 14.402 0.000 -5.420) 15.388 4.219 ( 5.763 0.000 -8.102) 9.942 4.340 ( 28.625 0.000 -3.223) 28.806 4.457 ( -1.452 0.000 4.709) 4.928 4.470 ( -4.574 0.000 5.254) 6.966 5.032 ( 13.969 0.000 1.001) 14.005 5.077 ( 4.957 0.000 2.165) 5.409 5.120 ( 9.957 0.000 -4.156) 10.789 5.361 ( -13.496 0.000 6.858) 15.139 5.430 ( 2.956 0.000 -8.179) 8.697 5.728 ( -0.232 0.000 0.834) 0.866 5.828 ( -3.092 0.000 1.896) 3.627 6.024 ( 4.169 0.000 -1.824) 4.551 6.410 ( -18.404 0.000 7.580) 19.904 6.592 ( 6.661 0.000 2.666) 7.175 6.883 ( -4.556 0.000 -4.558) 6.444 7.682 ( 11.124 0.000 -2.028) 11.307 7.712 ( 3.750 0.000 0.320) 3.763 8.236 ( 3.324 0.000 -3.900) 5.124 8.562 ( -14.487 0.000 -0.821) 14.510 9.008 ( 9.413 0.000 1.003) 9.467 9.219 ( -11.481 0.000 11.467) 16.226 9.667 ( 8.837 0.000 3.005) 9.334 9.796 ( 1.011 0.000 -4.512) 4.624 10.083 ( -4.363 0.000 -0.634) 4.409 10.212 ( -12.158 0.000 -2.165) 12.349 11.542 ( 9.554 0.000 -0.460) 9.565 11.770 ( -4.122 0.000 0.461) 4.147 11.827 ( 10.148 0.000 1.690) 10.288 12.047 ( -1.549 0.000 2.398) 2.855 14.504 ( 10.340 0.000 -5.282) 11.611 14.524 ( 8.759 0.000 -6.625) 10.982 14.641 ( 19.324 0.000 0.402) 19.328 14.799 ( 20.587 0.000 -0.044) 20.587 15.099 ( 15.594 0.000 -0.715) 15.610 15.330 ( -16.438 0.000 -1.575) 16.513 15.430 ( -16.280 0.000 1.509) 16.350 15.575 ( -12.468 0.000 3.331) 12.906 20.571 ( 11.155 0.000 -0.061) 11.155 20.585 ( 10.363 0.000 -0.796) 10.393 22.339 ( 1.412 0.000 2.901) 3.227 22.503 ( -7.613 0.000 4.434) 8.810 ======================= Grid point 285 (136/160) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -3.502 0.000 1.022) 3.648 1.343 ( 3.502 0.000 -1.022) 3.648 1.479 ( 9.279 0.000 -10.252) 13.828 1.479 ( -9.279 0.000 10.252) 13.828 2.054 ( -3.861 0.000 -2.309) 4.499 2.054 ( 3.861 0.000 2.309) 4.499 2.172 ( 4.686 0.000 -4.823) 6.725 2.172 ( -4.686 0.000 4.823) 6.725 2.352 ( -5.470 0.000 0.405) 5.485 2.352 ( 5.470 0.000 -0.405) 5.485 2.704 ( 7.686 0.000 -11.529) 13.856 2.704 ( -7.686 0.000 11.529) 13.856 2.886 ( -8.061 0.000 -2.296) 8.382 2.886 ( 8.061 0.000 2.296) 8.382 2.978 ( -6.490 0.000 -13.559) 15.032 2.978 ( 6.490 0.000 13.559) 15.032 3.752 ( 9.919 0.000 -6.934) 12.102 3.752 ( -9.919 0.000 6.934) 12.102 4.110 ( -7.380 0.000 -3.405) 8.128 4.110 ( 7.380 0.000 3.405) 8.128 4.466 ( 2.157 0.000 -3.151) 3.818 4.466 ( -2.157 0.000 3.151) 3.818 4.859 ( -28.496 0.000 -1.730) 28.549 4.859 ( 28.496 0.000 1.730) 28.549 5.143 ( 2.371 0.000 -4.151) 4.781 5.143 ( -2.371 0.000 4.151) 4.781 5.378 ( 1.931 0.000 -9.057) 9.261 5.378 ( -1.931 0.000 9.057) 9.261 5.779 ( -5.368 0.000 1.287) 5.520 5.779 ( 5.368 0.000 -1.287) 5.520 6.170 ( 18.964 0.000 -6.668) 20.102 6.170 ( -18.964 0.000 6.668) 20.102 6.740 ( -6.299 0.000 -4.248) 7.597 6.740 ( 6.299 0.000 4.248) 7.597 7.757 ( 0.347 0.000 -0.803) 0.875 7.757 ( -0.347 0.000 0.803) 0.875 8.332 ( -11.810 0.000 0.965) 11.849 8.332 ( 11.810 0.000 -0.965) 11.849 9.135 ( 9.826 0.000 -5.148) 11.093 9.135 ( -9.826 0.000 5.148) 11.093 9.800 ( -2.445 0.000 -0.431) 2.483 9.800 ( 2.445 0.000 0.431) 2.483 10.047 ( -5.020 0.000 1.624) 5.276 10.047 ( 5.020 0.000 -1.624) 5.276 11.678 ( -7.109 0.000 -0.127) 7.110 11.678 ( 7.109 0.000 0.127) 7.110 11.984 ( -6.973 0.000 -0.572) 6.997 11.984 ( 6.973 0.000 0.572) 6.997 14.558 ( -0.281 0.000 -0.103) 0.299 14.558 ( 0.281 0.000 0.103) 0.299 14.973 ( -17.514 0.000 -0.823) 17.533 14.973 ( 17.514 0.000 0.823) 17.533 15.150 ( -17.348 0.000 0.774) 17.365 15.150 ( 17.348 0.000 -0.774) 17.365 15.368 ( -15.746 0.000 1.598) 15.827 15.368 ( 15.746 0.000 -1.598) 15.827 20.667 ( 0.373 0.000 -0.940) 1.011 20.667 ( -0.373 0.000 0.940) 1.011 22.416 ( -5.804 0.000 0.301) 5.812 22.416 ( 5.804 0.000 -0.301) 5.812 ======================= Grid point 291 (137/160) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 2.637 24.911 -2.967) 25.226 1.146 ( -2.637 24.911 2.967) 25.226 1.413 ( -5.370 3.320 -15.025) 16.298 1.413 ( 5.370 3.320 15.025) 16.298 2.092 ( -3.347 -0.883 -7.315) 8.093 2.092 ( 3.347 -0.883 7.315) 8.093 2.257 ( 2.837 -10.273 -10.981) 15.303 2.257 ( -2.837 -10.273 10.981) 15.303 2.556 ( 2.250 -3.352 -8.345) 9.271 2.556 ( -2.250 -3.352 8.345) 9.271 2.815 ( -0.972 8.044 -1.881) 8.318 2.815 ( 0.972 8.044 1.881) 8.318 3.184 ( -5.970 12.917 -15.938) 21.366 3.184 ( 5.970 12.917 15.938) 21.366 3.387 ( -3.611 5.361 -13.048) 14.561 3.387 ( 3.611 5.361 13.048) 14.561 3.560 ( -0.781 6.414 -4.057) 7.630 3.560 ( 0.781 6.414 4.057) 7.630 3.838 ( -0.266 9.050 -5.693) 10.695 3.838 ( 0.266 9.050 5.693) 10.695 4.102 ( 3.237 3.305 -14.633) 15.347 4.102 ( -3.237 3.305 14.633) 15.347 4.611 ( -4.377 1.824 -0.412) 4.760 4.611 ( 4.377 1.824 0.412) 4.760 5.039 ( -2.095 7.650 -1.756) 8.124 5.039 ( 2.095 7.650 1.756) 8.124 5.334 ( -5.605 11.683 -5.430) 14.049 5.334 ( 5.605 11.683 5.430) 14.049 5.760 ( 0.192 9.807 -13.545) 16.723 5.760 ( -0.192 9.807 13.545) 16.723 6.210 ( -5.362 -1.410 -5.235) 7.626 6.210 ( 5.362 -1.410 5.235) 7.626 6.578 ( -6.333 7.985 -11.352) 15.256 6.578 ( 6.333 7.985 11.352) 15.256 7.316 ( -0.741 -1.650 -5.694) 5.975 7.316 ( 0.741 -1.650 5.694) 5.975 8.490 ( 4.834 -2.776 -6.794) 8.788 8.490 ( -4.834 -2.776 6.794) 8.788 9.096 ( -6.237 0.896 -13.650) 15.034 9.096 ( 6.237 0.896 13.650) 15.034 10.012 ( -0.077 -2.322 -10.927) 11.171 10.012 ( 0.077 -2.322 10.927) 11.171 10.661 ( -0.466 -4.165 -8.878) 9.817 10.661 ( 0.466 -4.165 8.878) 9.817 11.180 ( 2.084 -0.817 -15.845) 16.002 11.180 ( -2.084 -0.817 15.845) 16.002 11.385 ( -2.309 -1.372 -13.943) 14.200 11.385 ( 2.309 -1.372 13.943) 14.200 14.013 ( -0.848 13.458 -0.883) 13.514 14.013 ( 0.848 13.458 0.883) 13.514 14.446 ( -3.125 6.489 -0.227) 7.206 14.446 ( 3.125 6.489 0.227) 7.206 14.965 ( -0.516 -0.249 -27.874) 27.880 14.965 ( 0.516 -0.249 27.874) 27.880 15.914 ( 0.350 -3.312 -1.802) 3.786 15.914 ( -0.350 -3.312 1.802) 3.786 19.794 ( -0.680 3.924 -1.569) 4.280 19.794 ( 0.680 3.924 1.569) 4.280 22.383 ( -0.231 -4.134 -5.079) 6.553 22.383 ( 0.231 -4.134 5.079) 6.553 ======================= Grid point 293 (138/160) ======================= q-point: ( 0.10 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 2.623 19.080 -5.404) 20.003 1.211 ( 5.595 24.215 1.639) 24.907 1.334 ( 14.958 8.935 -9.073) 19.644 1.649 ( 5.520 -5.193 3.877) 8.513 1.987 ( -0.287 5.669 -3.398) 6.616 2.135 ( 2.052 -6.257 -1.845) 6.839 2.331 ( -1.214 -7.177 2.888) 7.831 2.368 ( 8.445 -4.102 7.193) 11.827 2.494 ( 1.008 -3.134 -3.803) 5.029 2.586 ( -4.312 -3.115 5.320) 7.523 2.722 ( -6.210 4.668 -7.035) 10.480 2.785 ( -13.425 -1.897 -9.140) 16.351 2.828 ( -0.975 11.996 -8.791) 14.904 3.117 ( -5.770 12.675 -1.303) 13.987 3.296 ( -2.103 18.072 -4.993) 18.867 3.535 ( 5.510 3.311 5.137) 8.229 3.606 ( -0.222 2.089 3.258) 3.877 3.672 ( 2.836 7.888 2.904) 8.871 3.808 ( 3.677 6.477 -7.633) 10.664 3.966 ( 8.603 7.692 11.070) 15.991 4.085 ( 10.471 4.965 -12.702) 17.194 4.260 ( 8.165 5.472 -0.682) 9.852 4.491 ( -6.940 -5.237 -1.242) 8.783 4.723 ( 9.920 4.765 -4.969) 12.075 4.993 ( -0.487 10.219 -1.157) 10.296 5.073 ( -0.514 14.195 -8.786) 16.702 5.168 ( -4.826 5.937 4.291) 8.772 5.489 ( 7.291 13.217 2.669) 15.329 5.674 ( 5.536 9.777 -7.261) 13.377 5.878 ( 3.771 -2.621 -2.455) 5.208 6.170 ( -0.407 -0.161 9.073) 9.083 6.347 ( -6.935 -0.526 3.075) 7.604 6.424 ( 4.797 12.665 -0.627) 13.557 6.835 ( 6.556 -0.994 9.766) 11.805 7.260 ( 4.419 0.715 -7.281) 8.547 7.395 ( 2.974 -4.138 3.276) 6.058 8.482 ( -0.001 -0.546 0.090) 0.553 8.515 ( -1.877 -2.481 6.851) 7.525 8.772 ( -12.417 3.646 -10.817) 16.866 9.257 ( -4.386 1.722 12.898) 13.732 9.841 ( -4.097 -2.521 -12.000) 12.929 10.094 ( -3.480 -2.156 8.758) 9.668 10.502 ( -7.867 -4.316 -7.434) 11.653 10.747 ( -3.510 -4.464 8.173) 9.952 11.111 ( 9.082 0.857 -13.045) 15.918 11.257 ( 8.367 -2.800 -13.135) 15.824 11.424 ( 8.962 -0.788 14.047) 16.681 11.586 ( 4.091 -1.216 10.715) 11.534 14.017 ( 2.888 11.052 -1.287) 11.496 14.068 ( 4.968 10.278 0.425) 11.424 14.403 ( -0.185 5.871 -2.687) 6.459 14.520 ( 6.785 6.265 -2.334) 9.526 14.683 ( 5.448 -0.566 -25.020) 25.613 15.289 ( 2.315 -0.610 22.249) 22.377 15.859 ( -4.539 -4.196 -1.214) 6.299 15.888 ( -5.420 -4.156 1.685) 7.035 19.847 ( 9.152 3.232 -0.940) 9.751 19.921 ( 12.165 4.937 0.595) 13.142 22.326 ( -1.706 -3.931 -1.853) 4.669 22.447 ( -1.505 -3.934 7.549) 8.644 ======================= Grid point 294 (139/160) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 9.867 15.259 -7.843) 19.791 1.321 ( 9.603 20.343 -5.398) 23.134 1.535 ( 13.907 3.377 -3.339) 14.696 1.667 ( -2.052 -6.003 -1.187) 6.454 1.992 ( 0.707 6.283 1.039) 6.408 2.198 ( 3.200 -0.182 -0.123) 3.208 2.241 ( -8.754 0.150 1.792) 8.937 2.410 ( -10.526 4.430 -0.208) 11.422 2.423 ( -9.506 1.184 -9.262) 13.325 2.507 ( -2.795 -1.962 -0.232) 3.423 2.577 ( 2.276 -1.565 -5.924) 6.537 2.664 ( 6.310 -2.489 11.392) 13.259 2.797 ( -0.381 0.911 1.792) 2.046 3.156 ( 4.112 12.553 -2.778) 13.498 3.243 ( 3.166 10.999 3.329) 11.920 3.499 ( 0.825 4.628 -14.589) 15.327 3.654 ( -1.690 5.344 -1.647) 5.842 3.753 ( 7.626 -2.489 -9.416) 12.370 3.858 ( 11.873 3.504 3.607) 12.894 4.061 ( 5.102 3.846 -30.171) 30.841 4.095 ( 5.457 7.500 -4.597) 10.352 4.356 ( 2.254 -0.035 9.632) 9.892 4.439 ( 3.970 5.225 -0.185) 6.565 4.800 ( 8.257 2.400 -7.015) 11.097 4.866 ( -6.391 17.758 -5.534) 19.668 5.045 ( 5.542 9.797 -1.109) 11.311 5.260 ( 2.174 2.544 10.127) 10.665 5.621 ( 1.195 18.235 4.323) 18.779 5.773 ( 10.308 0.037 0.380) 10.315 5.858 ( 0.093 -4.239 -4.912) 6.489 6.186 ( -6.151 7.390 -3.594) 10.264 6.289 ( -1.221 -7.539 6.538) 10.053 6.504 ( -1.815 1.245 3.099) 3.801 6.921 ( -0.061 -8.166 -0.714) 8.198 7.303 ( 11.698 -0.008 -7.878) 14.104 7.518 ( 6.768 -3.395 1.538) 7.727 8.523 ( 0.848 8.492 0.755) 8.568 8.577 ( 0.877 2.223 3.026) 3.856 8.613 ( -0.812 -2.162 11.588) 11.816 9.289 ( -7.746 2.851 11.774) 14.379 9.637 ( -4.874 -0.788 -8.861) 10.144 10.101 ( -6.835 -1.525 4.905) 8.550 10.256 ( -9.900 -4.177 -6.595) 12.607 10.651 ( -10.588 -3.612 -2.361) 11.433 11.228 ( 13.286 2.663 -2.274) 13.740 11.345 ( 15.671 -5.350 -6.777) 17.892 11.704 ( 6.158 -1.334 7.354) 9.684 11.768 ( 6.187 -0.163 9.452) 11.298 14.084 ( 7.611 3.621 -1.740) 8.606 14.187 ( 8.725 3.433 0.789) 9.409 14.385 ( 6.492 2.915 -8.426) 11.029 14.500 ( 11.715 1.845 -21.246) 24.332 14.710 ( 11.381 5.086 -0.113) 12.466 15.482 ( -4.531 -5.454 10.209) 12.429 15.763 ( -7.744 -3.347 1.202) 8.522 15.780 ( -8.388 -5.558 3.108) 10.531 20.047 ( 15.388 1.612 -0.592) 15.484 20.170 ( 15.275 5.279 1.609) 16.242 22.291 ( -2.018 -2.977 1.316) 3.830 22.502 ( -3.441 -3.364 8.695) 9.938 ======================= Grid point 295 (140/160) ======================= q-point: ( 0.30 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 12.817 11.680 -10.868) 20.465 1.370 ( 9.179 13.441 -12.782) 20.695 1.552 ( -5.215 -4.641 -0.609) 7.008 1.703 ( 4.423 3.232 -0.876) 5.548 1.968 ( -2.853 6.880 -1.214) 7.546 2.105 ( -3.443 3.801 2.560) 5.732 2.241 ( -8.877 3.834 6.686) 11.756 2.261 ( -2.639 6.289 -1.544) 6.993 2.298 ( -2.755 -1.584 2.164) 3.845 2.481 ( -1.603 -0.902 2.450) 3.064 2.606 ( -1.683 -2.270 4.023) 4.916 2.731 ( -5.452 -7.535 -0.755) 9.331 2.856 ( -5.175 6.188 9.307) 12.317 3.213 ( 14.609 2.605 -4.232) 15.431 3.340 ( 3.604 5.865 -23.252) 24.249 3.434 ( 6.188 9.532 4.864) 12.361 3.565 ( 3.482 0.457 -24.719) 24.967 3.676 ( 8.259 -1.696 -6.819) 10.844 3.817 ( 4.641 5.564 -14.679) 16.370 4.109 ( 15.339 5.746 -4.144) 16.896 4.189 ( 6.165 -0.074 4.041) 7.372 4.330 ( -1.902 -1.423 0.389) 2.407 4.644 ( 8.067 5.796 2.683) 10.289 4.721 ( -5.268 15.408 0.992) 16.314 4.885 ( 7.012 -5.145 -4.528) 9.806 5.144 ( 9.948 8.949 -3.401) 13.807 5.393 ( -1.758 -0.877 8.262) 8.492 5.625 ( -3.358 12.599 -0.008) 13.039 5.806 ( -0.071 -0.131 -0.757) 0.771 5.914 ( 1.194 2.590 3.683) 4.659 6.042 ( -4.857 5.065 -2.926) 7.603 6.288 ( -5.787 -18.151 3.405) 19.354 6.505 ( 1.196 0.675 2.117) 2.523 6.905 ( 1.204 -4.975 -4.015) 6.506 7.462 ( 15.805 -1.741 -5.465) 16.814 7.603 ( 4.005 -4.030 -0.861) 5.747 8.459 ( -2.457 12.356 -2.825) 12.911 8.692 ( -4.666 -1.216 6.207) 7.859 8.814 ( 10.656 2.110 8.410) 13.738 9.320 ( -5.791 4.828 13.089) 15.106 9.525 ( -0.578 0.347 -0.731) 0.994 9.914 ( -9.222 -2.767 -7.022) 11.917 10.136 ( -4.676 -2.011 1.577) 5.328 10.422 ( -11.640 -2.769 -4.524) 12.792 11.403 ( 11.265 1.996 -1.846) 11.588 11.578 ( 14.864 -3.393 0.532) 15.255 11.797 ( 0.455 0.176 2.591) 2.637 11.970 ( 4.804 -0.213 6.579) 8.149 14.224 ( 12.575 -4.783 -2.968) 13.777 14.369 ( 12.462 -5.464 0.655) 13.623 14.445 ( 12.721 0.856 -8.181) 15.148 14.505 ( 12.902 0.920 -13.781) 18.901 14.936 ( 15.183 7.472 0.640) 16.935 15.362 ( -14.410 -14.159 0.538) 20.209 15.567 ( -15.338 -10.701 0.786) 18.718 15.765 ( -5.144 4.576 5.965) 9.110 20.298 ( 15.075 -2.248 -0.412) 15.247 20.414 ( 11.983 2.499 0.862) 12.271 22.296 ( -0.526 -0.995 3.415) 3.595 22.526 ( -5.279 -2.113 7.657) 9.537 ======================= Grid point 296 (141/160) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 18.701 7.041 -20.598) 28.698 1.430 ( 6.835 11.514 0.810) 13.414 1.486 ( -6.700 -1.040 7.240) 9.919 1.689 ( -2.694 8.363 -2.291) 9.080 1.959 ( 3.261 2.819 -3.513) 5.561 2.120 ( -5.689 2.706 2.720) 6.862 2.148 ( -4.803 0.331 7.357) 8.792 2.242 ( -0.789 2.979 0.449) 3.114 2.288 ( -0.724 -3.034 -1.209) 3.345 2.483 ( -10.495 -2.340 4.730) 11.747 2.569 ( -0.355 -2.377 3.216) 4.015 2.637 ( -4.913 -3.671 5.128) 7.994 2.872 ( -0.365 2.351 1.853) 3.016 2.992 ( -2.735 -0.711 -23.855) 24.022 3.268 ( 0.988 8.397 -15.555) 17.704 3.358 ( -7.338 12.116 -3.593) 14.614 3.645 ( 17.189 3.493 -4.381) 18.079 3.810 ( 3.841 5.468 4.193) 7.889 3.915 ( 18.680 1.510 -2.599) 18.920 4.252 ( 9.757 0.829 -9.026) 13.317 4.340 ( -0.888 -9.599 7.961) 12.502 4.420 ( 17.318 9.044 -2.453) 19.691 4.626 ( -6.186 8.282 3.454) 10.899 4.766 ( 2.900 -5.575 -0.324) 6.292 4.919 ( 2.315 -11.852 -1.913) 12.227 5.245 ( -2.093 0.296 0.073) 2.115 5.365 ( -4.332 0.704 4.115) 6.016 5.544 ( -4.086 5.715 -1.698) 7.228 5.827 ( 1.512 7.845 -1.743) 8.177 5.875 ( -5.383 4.654 2.101) 7.420 6.047 ( 6.091 -0.433 -0.210) 6.110 6.233 ( -7.048 -9.958 5.916) 13.559 6.586 ( 5.203 -0.492 1.896) 5.559 6.840 ( -1.978 -3.744 -6.407) 7.680 7.630 ( 8.695 -4.471 -2.434) 10.075 7.658 ( 4.049 -4.920 -0.739) 6.415 8.409 ( 0.711 13.376 -1.969) 13.538 8.596 ( -8.973 4.443 -0.190) 10.015 9.046 ( 9.834 3.530 2.248) 10.688 9.315 ( -12.219 8.254 9.959) 17.794 9.619 ( 8.413 -4.081 2.384) 9.650 9.781 ( 0.871 -1.889 -2.882) 3.554 10.069 ( -4.241 -1.407 -0.683) 4.521 10.188 ( -11.423 -2.334 -2.487) 11.921 11.560 ( 9.533 1.806 -0.618) 9.722 11.756 ( 0.760 -0.719 0.305) 1.089 11.844 ( 7.530 1.529 1.897) 7.914 12.054 ( -1.168 0.383 2.595) 2.871 14.413 ( 14.591 -9.265 -3.930) 17.725 14.541 ( 8.082 0.173 -4.918) 9.462 14.578 ( 10.149 -2.281 -2.198) 10.632 14.648 ( 17.674 -12.809 -1.413) 21.873 15.077 ( -15.101 -14.934 0.027) 21.238 15.212 ( 8.062 1.452 1.153) 8.273 15.307 ( -11.779 -9.011 -0.898) 14.858 15.688 ( -10.694 7.356 2.883) 13.296 20.501 ( 9.327 -6.263 0.218) 11.237 20.565 ( 6.317 -2.895 -0.854) 7.001 22.351 ( 2.522 1.105 2.921) 4.014 22.502 ( -6.239 -0.097 4.550) 7.723 ======================= Grid point 297 (142/160) ======================= q-point: (-0.50 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 13.664 5.463 -13.554) 20.006 1.432 ( -13.664 5.463 13.554) 20.006 1.572 ( -4.670 9.553 -5.390) 11.922 1.572 ( 4.670 9.553 5.390) 11.922 2.001 ( -3.645 -1.827 -1.608) 4.383 2.001 ( 3.645 -1.827 1.608) 4.383 2.199 ( -0.502 -1.631 -5.509) 5.767 2.199 ( 0.502 -1.631 5.509) 5.767 2.337 ( -6.682 0.283 -1.461) 6.846 2.337 ( 6.682 0.283 1.461) 6.846 2.622 ( 3.468 -4.056 -9.683) 11.056 2.622 ( -3.468 -4.056 9.683) 11.056 2.875 ( -1.393 -3.292 -7.262) 8.094 2.875 ( 1.393 -3.292 7.262) 8.094 3.186 ( 0.470 17.061 -3.468) 17.416 3.186 ( -0.470 17.061 3.468) 17.416 3.831 ( 10.142 5.151 -6.536) 13.119 3.831 ( -10.142 5.151 6.536) 13.119 4.176 ( -10.150 5.535 -2.527) 11.834 4.176 ( 10.150 5.535 2.527) 11.834 4.445 ( -6.244 -4.128 1.750) 7.687 4.445 ( 6.244 -4.128 -1.750) 7.687 4.741 ( -6.968 -11.645 -1.025) 13.609 4.741 ( 6.968 -11.645 1.025) 13.609 5.020 ( -12.454 -1.283 0.662) 12.537 5.020 ( 12.454 -1.283 -0.662) 12.537 5.454 ( 2.884 2.221 -7.602) 8.428 5.454 ( -2.884 2.221 7.602) 8.428 5.829 ( 2.847 4.432 -3.346) 6.241 5.829 ( -2.847 4.432 3.346) 6.241 6.165 ( 5.342 0.040 -7.094) 8.880 6.165 ( -5.342 0.040 7.094) 8.880 6.710 ( -4.712 -2.782 -5.180) 7.535 6.710 ( 4.712 -2.782 5.180) 7.535 7.688 ( 0.968 -5.888 -0.580) 5.995 7.688 ( -0.968 -5.888 0.580) 5.995 8.458 ( -6.336 10.902 0.045) 12.609 8.458 ( 6.336 10.902 -0.045) 12.609 9.198 ( 0.830 5.702 -1.475) 5.948 9.198 ( -0.830 5.702 1.475) 5.948 9.766 ( -5.161 -2.999 -0.442) 5.986 9.766 ( 5.161 -2.999 0.442) 5.986 10.035 ( -3.144 -1.389 0.943) 3.564 10.035 ( 3.144 -1.389 -0.943) 3.564 11.691 ( -6.465 1.431 -0.209) 6.625 11.691 ( 6.465 1.431 0.209) 6.625 11.997 ( -6.851 1.044 -0.508) 6.949 11.997 ( 6.851 1.044 0.508) 6.949 14.548 ( -3.380 -2.185 -0.171) 4.028 14.548 ( 3.380 -2.185 0.171) 4.028 14.771 ( -12.337 -13.701 -1.443) 18.493 14.771 ( 12.337 -13.701 1.443) 18.493 14.983 ( -16.929 -16.082 -0.065) 23.350 14.983 ( 16.929 -16.082 0.065) 23.350 15.492 ( -15.348 8.955 0.953) 17.795 15.492 ( 15.348 8.955 -0.953) 17.795 20.596 ( -1.168 -6.808 -1.148) 7.002 20.596 ( 1.168 -6.808 1.148) 7.002 22.434 ( -5.321 1.493 0.360) 5.538 22.434 ( 5.321 1.493 -0.360) 5.538 ======================= Grid point 303 (143/160) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -2.824 0.794 -8.192) 8.702 1.450 ( 2.824 0.794 8.192) 8.702 1.613 ( -0.354 16.640 -4.803) 17.323 1.613 ( 0.354 16.640 4.803) 17.323 2.027 ( -0.543 -4.141 -6.782) 7.965 2.027 ( 0.543 -4.141 6.782) 7.965 2.163 ( 0.798 0.835 -6.852) 6.948 2.163 ( -0.798 0.835 6.852) 6.948 2.493 ( 2.310 -2.133 -5.482) 6.320 2.493 ( -2.310 -2.133 5.482) 6.320 2.851 ( 2.514 -2.521 -4.664) 5.867 2.851 ( -2.514 -2.521 4.664) 5.867 3.324 ( -0.313 0.772 -7.413) 7.460 3.324 ( 0.313 0.772 7.413) 7.460 3.662 ( 0.530 9.042 -3.814) 9.828 3.662 ( -0.530 9.042 3.814) 9.828 3.803 ( -7.938 23.787 -11.868) 27.743 3.803 ( 7.938 23.787 11.868) 27.743 4.094 ( 0.210 14.319 -6.697) 15.809 4.094 ( -0.210 14.319 6.697) 15.809 4.265 ( 6.517 13.527 -9.181) 17.599 4.265 ( -6.517 13.527 9.181) 17.599 4.664 ( -5.791 3.648 -7.507) 10.159 4.664 ( 5.791 3.648 7.507) 10.159 5.165 ( -2.821 4.182 -2.337) 5.560 5.165 ( 2.821 4.182 2.337) 5.560 5.506 ( -8.416 3.372 -1.829) 9.249 5.506 ( 8.416 3.372 1.829) 9.249 5.943 ( -6.087 5.957 -9.087) 12.455 5.943 ( 6.087 5.957 9.087) 12.455 6.311 ( 1.388 8.823 -9.278) 12.878 6.311 ( -1.388 8.823 9.278) 12.878 6.702 ( 1.926 2.848 -8.003) 8.711 6.702 ( -1.926 2.848 8.003) 8.711 7.283 ( 3.856 -0.919 -6.038) 7.223 7.283 ( -3.856 -0.919 6.038) 7.223 8.472 ( 6.382 2.676 -4.975) 8.523 8.472 ( -6.382 2.676 4.975) 8.523 9.131 ( -5.416 2.554 -12.425) 13.793 9.131 ( 5.416 2.554 12.425) 13.793 9.931 ( 0.775 -5.735 -11.855) 13.192 9.931 ( -0.775 -5.735 11.855) 13.192 10.545 ( -1.182 -6.643 -8.079) 10.526 10.545 ( 1.182 -6.643 8.079) 10.526 11.166 ( 0.997 -0.415 -13.087) 13.131 11.166 ( -0.997 -0.415 13.087) 13.131 11.356 ( -2.409 -1.233 -12.058) 12.358 11.356 ( 2.409 -1.233 12.058) 12.358 14.324 ( 0.142 14.967 -6.427) 16.289 14.324 ( -0.142 14.967 6.427) 16.289 14.637 ( -2.616 11.676 0.201) 11.967 14.637 ( 2.616 11.676 -0.201) 11.967 14.953 ( -0.268 -0.785 -27.359) 27.372 14.953 ( 0.268 -0.785 27.359) 27.372 15.804 ( 0.002 -7.567 -1.664) 7.748 15.804 ( -0.002 -7.567 1.664) 7.748 19.968 ( -1.040 13.159 -1.864) 13.330 19.968 ( 1.040 13.159 1.864) 13.330 22.254 ( 0.056 -8.327 -5.239) 9.839 22.254 ( -0.056 -8.327 5.239) 9.839 ======================= Grid point 305 (144/160) ======================= q-point: ( 0.10 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 4.163 4.342 -5.255) 7.988 1.585 ( 5.661 12.753 -5.288) 14.921 1.602 ( 2.607 3.477 4.546) 6.289 1.688 ( 1.810 17.793 4.099) 18.349 2.001 ( 4.954 -4.808 -2.072) 7.208 2.110 ( 0.946 3.597 0.509) 3.754 2.150 ( 0.695 -8.009 6.153) 10.123 2.283 ( 3.393 -4.201 7.386) 9.149 2.435 ( -3.481 -2.428 -2.829) 5.101 2.506 ( -2.126 -2.771 3.315) 4.816 2.721 ( -8.293 -4.049 -6.950) 11.553 2.774 ( -8.144 0.281 -0.219) 8.152 3.132 ( -5.642 12.486 -12.017) 18.225 3.376 ( 0.998 8.110 3.748) 8.989 3.579 ( -4.975 9.857 -6.862) 13.000 3.667 ( 1.388 6.424 -2.871) 7.172 3.766 ( 2.406 15.226 6.744) 16.826 3.937 ( -5.802 20.506 -0.541) 21.318 3.978 ( 3.019 9.861 -8.332) 13.258 4.149 ( 7.324 9.241 4.329) 12.561 4.312 ( 4.016 12.616 -4.882) 14.111 4.430 ( 3.432 6.970 2.568) 8.182 4.459 ( 4.533 9.361 -11.935) 15.831 4.803 ( 8.322 3.291 -4.088) 9.839 5.145 ( 2.626 3.813 -1.740) 4.947 5.284 ( 6.189 5.726 1.475) 8.560 5.316 ( -11.573 4.605 0.980) 12.494 5.652 ( 5.765 -1.139 -0.450) 5.893 5.761 ( -2.294 10.137 -4.015) 11.142 6.136 ( 3.521 0.687 6.328) 7.274 6.180 ( -6.697 12.007 -4.177) 14.369 6.330 ( -6.228 2.848 6.444) 9.403 6.646 ( -3.516 4.388 -0.579) 5.652 6.797 ( 4.363 -0.796 1.300) 4.622 7.282 ( 2.838 1.043 -3.542) 4.657 7.334 ( 6.520 -0.597 0.042) 6.548 8.452 ( -3.353 2.329 8.864) 9.759 8.572 ( 6.670 5.581 -0.063) 8.698 8.858 ( -9.496 4.985 -9.463) 14.303 9.288 ( -2.410 0.776 10.409) 10.713 9.769 ( -2.507 -4.255 -12.062) 13.034 10.013 ( -3.846 -5.926 10.053) 12.287 10.383 ( -8.706 -6.561 -5.828) 12.362 10.616 ( -3.998 -7.908 6.894) 11.227 11.143 ( 11.226 2.351 -9.467) 14.872 11.228 ( 6.353 0.431 -12.365) 13.908 11.402 ( 9.426 -1.325 12.007) 15.323 11.547 ( 5.322 -2.605 9.363) 11.081 14.243 ( -0.392 9.952 -6.024) 11.640 14.341 ( -3.542 14.726 1.099) 15.186 14.576 ( -2.797 10.320 -3.770) 11.337 14.668 ( 4.392 -0.225 -25.949) 26.319 14.716 ( 6.740 12.139 1.773) 13.998 15.258 ( 0.502 -2.724 20.850) 21.034 15.726 ( -7.006 -8.856 0.488) 11.303 15.757 ( -7.725 -8.575 0.795) 11.569 19.995 ( 5.959 11.235 -0.281) 12.721 20.091 ( 10.108 11.321 1.452) 15.246 22.209 ( -0.630 -7.140 -1.230) 7.272 22.325 ( -0.825 -7.852 7.851) 11.135 ======================= Grid point 306 (145/160) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 3.029 5.339 -3.730) 7.183 1.622 ( 5.453 8.390 -6.296) 11.822 1.638 ( 0.548 7.250 -2.392) 7.654 1.765 ( 3.443 14.801 3.025) 15.494 2.106 ( 2.196 3.336 1.331) 4.210 2.139 ( 1.819 -5.298 3.482) 6.596 2.189 ( -3.915 -4.312 4.319) 7.251 2.328 ( -2.922 -6.926 -1.870) 7.746 2.392 ( -6.504 -7.145 11.339) 14.897 2.507 ( -1.409 -2.007 -0.449) 2.493 2.553 ( -3.248 -1.981 -1.366) 4.042 2.674 ( 2.045 5.512 -3.638) 6.914 2.965 ( -3.233 13.842 -3.245) 14.580 3.395 ( -8.594 7.685 -5.341) 12.705 3.415 ( -1.082 7.557 0.406) 7.645 3.656 ( 5.062 6.164 -3.752) 8.815 3.757 ( 3.168 12.786 -21.485) 25.202 3.901 ( -1.664 11.030 11.086) 15.727 3.989 ( 0.791 12.068 -19.510) 22.954 4.133 ( 3.525 -4.010 -3.448) 6.356 4.297 ( 7.514 9.670 -8.333) 14.812 4.383 ( 3.913 12.743 -2.219) 13.514 4.650 ( 7.729 9.685 1.689) 12.505 4.840 ( 4.821 0.876 -8.039) 9.415 5.132 ( -6.717 2.998 -0.332) 7.363 5.235 ( 4.144 7.489 1.710) 8.728 5.344 ( -1.944 5.882 5.404) 8.221 5.674 ( -2.629 -5.780 -0.774) 6.396 5.780 ( 3.423 -1.659 -1.890) 4.247 6.017 ( -8.845 7.822 0.515) 11.819 6.164 ( -4.525 0.128 2.663) 5.252 6.316 ( -7.054 6.510 7.969) 12.475 6.556 ( -0.250 4.225 -5.208) 6.711 6.857 ( 3.754 1.058 -3.651) 5.342 7.311 ( 9.039 1.394 -7.128) 11.596 7.451 ( 6.804 -2.652 -1.873) 7.539 8.570 ( 2.216 3.992 11.162) 12.060 8.656 ( 1.760 5.521 4.117) 7.108 8.741 ( 2.921 7.963 0.075) 8.482 9.296 ( -5.311 -2.771 3.937) 7.168 9.634 ( -2.115 0.188 -3.145) 3.794 10.048 ( -5.425 -3.864 7.344) 9.915 10.136 ( -11.550 -6.621 -5.784) 14.515 10.541 ( -9.322 -6.966 -0.437) 11.646 11.282 ( 15.751 0.320 -7.877) 17.614 11.306 ( 13.599 4.675 -1.928) 14.509 11.667 ( 7.377 -2.316 6.364) 10.014 11.750 ( 7.629 -1.805 8.598) 11.636 14.170 ( -2.584 5.126 -2.384) 6.216 14.294 ( -1.152 6.494 -0.932) 6.661 14.471 ( 1.757 5.446 -10.912) 12.321 14.517 ( 11.149 -0.102 -20.652) 23.470 14.905 ( 11.461 13.033 3.342) 17.674 15.302 ( -13.791 -11.780 3.687) 18.508 15.560 ( -15.933 -13.164 0.506) 20.674 15.725 ( 0.113 -2.791 9.581) 9.980 20.121 ( 8.694 5.536 -0.267) 10.310 20.289 ( 9.916 5.741 2.333) 11.693 22.213 ( 0.484 -4.145 2.302) 4.766 22.402 ( -1.774 -6.138 9.011) 11.046 ======================= Grid point 307 (146/160) ======================= q-point: ( 0.30 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 2.028 2.632 -2.405) 4.102 1.570 ( 1.501 6.619 -11.108) 13.017 1.615 ( 0.317 10.042 -1.633) 10.179 1.862 ( 3.673 9.348 2.317) 10.308 2.076 ( -4.528 3.192 -0.454) 5.558 2.139 ( -0.381 -0.221 0.938) 1.036 2.216 ( -1.555 -3.984 4.558) 6.250 2.314 ( -8.661 -1.448 5.557) 10.392 2.352 ( -2.443 0.352 1.378) 2.827 2.483 ( 0.266 -2.864 1.022) 3.052 2.502 ( -4.676 -4.435 -0.550) 6.468 2.701 ( -3.314 6.601 2.578) 7.823 2.948 ( -1.418 4.077 1.097) 4.454 3.240 ( 6.935 0.354 -8.968) 11.342 3.428 ( 3.847 -3.290 -2.533) 5.661 3.446 ( -6.301 1.728 -30.996) 31.677 3.628 ( 3.202 2.132 -16.747) 17.183 3.786 ( 6.624 11.397 -2.486) 13.414 4.025 ( -0.523 14.873 9.000) 17.392 4.223 ( 0.490 10.394 -9.830) 14.314 4.309 ( 9.396 2.870 0.864) 9.863 4.441 ( 9.034 10.212 -5.705) 14.779 4.746 ( -1.580 -2.312 -1.978) 3.429 4.778 ( -1.410 0.585 0.054) 1.528 5.026 ( -8.028 10.974 3.636) 14.075 5.295 ( -6.908 -1.105 -2.295) 7.363 5.351 ( 0.885 1.501 3.779) 4.162 5.614 ( 3.144 -14.444 -3.137) 15.112 5.754 ( -4.517 2.048 6.969) 8.554 5.980 ( -0.500 3.488 0.361) 3.542 6.135 ( -2.149 3.682 2.801) 5.101 6.253 ( -6.344 13.639 3.008) 15.340 6.550 ( 3.106 3.108 -2.482) 5.047 6.832 ( 2.080 -2.135 -8.156) 8.684 7.414 ( 11.894 -2.391 -6.322) 13.681 7.503 ( 4.106 -5.476 -3.405) 7.644 8.663 ( 1.033 8.943 0.722) 9.031 8.773 ( 1.524 7.778 4.083) 8.916 8.892 ( 9.218 5.721 8.444) 13.748 9.313 ( 3.251 -4.607 5.598) 7.945 9.608 ( -4.495 4.828 6.003) 8.919 9.838 ( -11.023 -3.467 -6.803) 13.409 10.064 ( -4.093 -5.201 3.634) 7.550 10.343 ( -10.744 -4.729 -4.131) 12.445 11.455 ( 13.027 3.385 -2.864) 13.761 11.559 ( 15.385 2.126 1.307) 15.586 11.797 ( 3.569 -0.348 2.340) 4.282 11.954 ( 5.254 -1.669 6.399) 8.446 14.132 ( 1.505 -3.309 -1.727) 4.025 14.265 ( -0.695 -3.162 -0.073) 3.238 14.469 ( 11.989 1.271 -10.113) 15.737 14.518 ( 11.898 0.127 -13.452) 17.959 15.022 ( -18.154 -15.769 -0.126) 24.047 15.124 ( 2.539 1.709 2.523) 3.967 15.288 ( -9.752 -9.158 -1.070) 13.421 15.828 ( -1.909 1.204 7.459) 7.793 20.246 ( 6.862 -2.484 -0.528) 7.317 20.426 ( 3.943 -1.758 1.066) 4.447 22.278 ( 2.644 -0.572 4.132) 4.939 22.467 ( -2.442 -3.484 7.928) 8.998 ======================= Grid point 308 (147/160) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 13.337 3.378 -15.160) 20.472 1.512 ( -3.452 3.898 7.847) 9.417 1.635 ( 1.826 7.493 3.108) 8.314 1.894 ( -4.296 9.199 0.229) 10.156 2.010 ( 2.233 -0.301 -3.069) 3.807 2.140 ( -2.235 -2.137 -1.932) 3.646 2.178 ( -8.806 4.246 0.408) 9.785 2.270 ( -2.709 2.111 5.564) 6.539 2.291 ( -3.554 1.829 -4.138) 5.753 2.399 ( -3.796 -4.912 -0.006) 6.208 2.516 ( 0.093 -2.032 4.700) 5.121 2.630 ( -10.534 2.679 9.336) 14.328 2.821 ( -1.768 -4.741 -17.900) 18.601 3.005 ( -3.587 0.619 -19.593) 19.928 3.420 ( 14.445 -1.821 -4.612) 15.272 3.532 ( 11.634 -0.760 -3.541) 12.184 3.595 ( 6.906 -1.615 -4.227) 8.256 3.806 ( 0.656 0.336 -1.007) 1.248 4.074 ( -10.632 -4.238 6.058) 12.950 4.200 ( 12.571 18.484 -2.683) 22.515 4.410 ( -14.646 -19.754 -4.012) 24.917 4.442 ( 6.867 10.749 -2.319) 12.965 4.655 ( 7.284 6.553 -2.601) 10.137 4.786 ( -1.867 4.995 0.474) 5.353 4.959 ( -6.970 9.942 7.405) 14.222 5.173 ( -7.896 -5.594 1.895) 9.861 5.378 ( 4.228 -0.020 -1.918) 4.643 5.599 ( -6.921 1.777 2.255) 7.493 5.858 ( 3.389 -3.057 6.211) 7.708 5.979 ( 3.189 6.068 -1.778) 7.081 6.101 ( -1.557 8.335 -0.597) 8.500 6.245 ( -0.475 6.607 2.074) 6.941 6.577 ( 1.782 -0.570 0.544) 1.948 6.742 ( -0.123 -5.442 -9.885) 11.285 7.511 ( 5.617 -6.888 -2.585) 9.256 7.527 ( 3.367 -7.294 -2.789) 8.504 8.683 ( 2.322 13.408 -0.473) 13.616 8.781 ( -2.300 12.513 0.335) 12.727 9.141 ( 10.329 5.358 5.015) 12.670 9.486 ( -0.532 2.514 9.103) 9.459 9.542 ( -3.484 1.626 -0.137) 3.847 9.707 ( 1.045 -5.236 -0.336) 5.349 10.019 ( -3.988 -3.768 0.418) 5.503 10.121 ( -9.944 -3.765 -3.814) 11.296 11.625 ( 9.497 4.638 -0.319) 10.574 11.763 ( 5.032 1.612 0.153) 5.287 11.880 ( 6.547 1.708 1.845) 7.013 12.051 ( -0.218 -0.984 3.071) 3.232 14.187 ( 7.660 -10.886 -1.757) 13.426 14.319 ( 7.782 -14.672 -0.235) 16.609 14.530 ( 0.137 -5.865 -3.914) 7.053 14.575 ( 8.381 0.643 -4.783) 9.671 14.741 ( -11.268 -13.258 -1.024) 17.429 14.879 ( -18.971 -21.016 -1.613) 28.358 15.441 ( 14.349 10.172 0.735) 17.604 15.811 ( -7.587 4.177 3.194) 9.231 20.334 ( 4.373 -9.188 0.211) 10.177 20.448 ( -0.774 -8.354 -0.937) 8.441 22.379 ( 4.119 1.514 3.094) 5.369 22.496 ( -3.239 -0.657 4.705) 5.750 ======================= Grid point 309 (148/160) ======================= q-point: (-0.50 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 15.672 2.693 -14.854) 21.761 1.521 ( -15.672 2.693 14.854) 21.761 1.758 ( -6.103 5.025 -5.641) 9.711 1.758 ( 6.103 5.025 5.641) 9.711 2.027 ( 5.663 2.711 -3.807) 7.342 2.027 ( -5.663 2.711 3.807) 7.342 2.144 ( -5.626 0.802 -1.047) 5.778 2.144 ( 5.626 0.802 1.047) 5.778 2.347 ( -1.451 0.441 -3.973) 4.252 2.347 ( 1.451 0.441 3.973) 4.252 2.575 ( 6.630 -1.106 -12.976) 14.613 2.575 ( -6.630 -1.106 12.976) 14.613 2.780 ( -2.341 -5.075 -12.082) 13.312 2.780 ( 2.341 -5.075 12.082) 13.312 3.531 ( -3.893 13.102 -2.888) 13.970 3.531 ( 3.893 13.102 2.888) 13.970 3.794 ( -16.195 -10.262 3.782) 19.542 3.794 ( 16.195 -10.262 -3.782) 19.542 4.069 ( -15.390 -21.616 -2.141) 26.621 4.069 ( 15.390 -21.616 2.141) 26.621 4.410 ( -5.618 13.848 -4.330) 15.559 4.410 ( 5.618 13.848 4.330) 15.559 4.755 ( -1.440 8.704 -3.216) 9.390 4.755 ( 1.440 8.704 3.216) 9.390 5.022 ( -2.958 -0.369 -5.537) 6.288 5.022 ( 2.958 -0.369 5.537) 6.288 5.479 ( 2.933 1.473 -5.427) 6.342 5.479 ( -2.933 1.473 5.427) 6.342 5.945 ( -0.096 5.934 -5.836) 8.324 5.945 ( 0.096 5.934 5.836) 8.324 6.192 ( -2.990 3.269 -4.714) 6.469 6.192 ( 2.990 3.269 4.714) 6.469 6.633 ( -0.711 -4.306 -5.976) 7.400 6.633 ( 0.711 -4.306 5.976) 7.400 7.540 ( 1.058 -8.154 -1.807) 8.418 7.540 ( -1.058 -8.154 1.807) 8.418 8.731 ( -3.336 14.827 -0.265) 15.200 8.731 ( 3.336 14.827 0.265) 15.200 9.339 ( -8.540 7.070 -1.881) 11.245 9.339 ( 8.540 7.070 1.881) 11.245 9.688 ( -5.989 -4.312 -1.178) 7.473 9.688 ( 5.989 -4.312 1.178) 7.473 9.985 ( 0.462 -3.358 -1.410) 3.671 9.985 ( -0.462 -3.358 1.410) 3.671 11.745 ( -4.716 3.831 -0.483) 6.095 11.745 ( 4.716 3.831 0.483) 6.095 12.016 ( -5.957 0.445 -0.088) 5.974 12.016 ( 5.957 0.445 0.088) 5.974 14.337 ( -10.982 -16.065 0.473) 19.465 14.337 ( 10.981 -16.065 -0.473) 19.465 14.542 ( -12.041 -18.268 0.528) 21.886 14.542 ( 12.041 -18.268 -0.528) 21.886 14.672 ( 0.061 -2.901 -2.274) 3.686 14.672 ( -0.061 -2.901 2.274) 3.686 15.666 ( -12.312 7.359 0.519) 14.354 15.666 ( 12.312 7.359 -0.519) 14.354 20.401 ( -2.846 -11.380 -1.266) 11.799 20.401 ( 2.846 -11.380 1.266) 11.799 22.465 ( -4.083 1.308 0.412) 4.307 22.465 ( 4.083 1.308 -0.412) 4.307 ======================= Grid point 315 (149/160) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -3.316 -1.625 -5.566) 6.680 1.432 ( 3.316 -1.625 5.566) 6.680 1.799 ( -0.962 2.703 -4.047) 4.961 1.799 ( 0.962 2.703 4.047) 4.961 2.017 ( 0.164 1.247 -5.124) 5.276 2.017 ( -0.164 1.247 5.124) 5.276 2.218 ( 2.906 4.975 -5.823) 8.191 2.218 ( -2.906 4.975 5.823) 8.191 2.473 ( 0.511 -0.643 -1.057) 1.338 2.473 ( -0.511 -0.643 1.057) 1.338 2.766 ( 0.951 -4.466 -4.803) 6.627 2.766 ( -0.951 -4.466 4.803) 6.627 3.295 ( -0.579 -2.420 -5.311) 5.865 3.295 ( 0.579 -2.420 5.311) 5.865 3.869 ( 1.171 10.428 -4.368) 11.366 3.869 ( -1.171 10.428 4.368) 11.366 4.102 ( -4.199 4.583 -6.404) 8.924 4.102 ( 4.199 4.583 6.404) 8.924 4.482 ( -2.021 19.373 -14.623) 24.357 4.482 ( 2.021 19.373 14.623) 24.357 4.604 ( -0.818 16.286 -4.056) 16.804 4.604 ( 0.818 16.286 4.056) 16.804 4.774 ( -3.932 7.800 -6.889) 11.125 4.774 ( 3.932 7.800 6.889) 11.125 5.196 ( -3.391 -1.347 -1.526) 3.955 5.196 ( 3.391 -1.347 1.526) 3.955 5.515 ( -7.950 -1.166 -1.698) 8.212 5.515 ( 7.950 -1.166 1.698) 8.212 6.008 ( 9.259 0.548 -6.205) 11.159 6.008 ( -9.259 0.548 6.205) 11.159 6.415 ( -3.786 0.127 -3.136) 4.918 6.415 ( 3.786 0.127 3.136) 4.918 6.688 ( 3.460 -2.534 -2.227) 4.833 6.688 ( -3.460 -2.534 2.227) 4.833 7.285 ( 4.770 0.548 -4.193) 6.374 7.285 ( -4.770 0.548 4.193) 6.374 8.618 ( 2.857 9.909 -3.850) 11.008 8.618 ( -2.857 9.909 3.850) 11.008 9.196 ( -3.573 3.341 -8.256) 9.597 9.196 ( 3.573 3.341 8.256) 9.597 9.783 ( 1.207 -7.921 -9.367) 12.326 9.783 ( -1.207 -7.921 9.367) 12.326 10.413 ( -1.382 -5.439 -5.548) 7.892 10.413 ( 1.382 -5.439 5.548) 7.892 11.162 ( 0.158 -0.060 -7.495) 7.497 11.162 ( -0.158 -0.060 7.495) 7.497 11.338 ( -1.476 -0.495 -7.019) 7.190 11.338 ( 1.476 -0.495 7.019) 7.190 14.590 ( 0.059 10.553 -15.374) 18.647 14.590 ( -0.059 10.553 15.374) 18.647 14.834 ( 0.827 1.662 -16.771) 16.873 14.834 ( -0.827 1.662 16.771) 16.873 15.003 ( 1.905 10.705 -10.610) 15.192 15.003 ( -1.905 10.705 10.610) 15.192 15.598 ( -0.578 -12.355 -1.718) 12.487 15.598 ( 0.578 -12.355 1.718) 12.487 20.289 ( -0.921 15.535 -1.156) 15.605 20.289 ( 0.921 15.535 1.156) 15.605 22.059 ( 0.227 -9.570 -4.037) 10.389 22.059 ( -0.227 -9.570 4.037) 10.389 ======================= Grid point 317 (150/160) ======================= q-point: ( 0.10 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 3.820 3.287 3.090) 5.912 1.653 ( 10.355 -2.324 8.697) 13.721 1.770 ( 0.672 6.006 -0.405) 6.057 1.893 ( 2.851 0.255 6.004) 6.651 1.967 ( 0.947 3.029 -4.363) 5.395 2.074 ( -0.036 -0.570 4.285) 4.323 2.178 ( 1.518 5.339 -7.887) 9.645 2.223 ( -3.031 0.292 3.060) 4.317 2.393 ( -7.377 -2.598 -0.013) 7.821 2.487 ( -0.458 0.309 0.259) 0.610 2.616 ( -8.188 -5.420 -5.289) 11.153 2.724 ( -7.274 -4.433 3.043) 9.045 3.267 ( 2.128 2.581 -3.135) 4.585 3.409 ( 4.043 -3.070 6.654) 8.369 3.788 ( -5.211 9.374 -7.661) 13.181 3.901 ( 0.992 13.400 0.869) 13.465 4.023 ( 0.618 5.634 -0.786) 5.722 4.210 ( 2.422 10.900 -5.409) 12.407 4.321 ( 3.475 11.298 -3.348) 12.285 4.399 ( -16.886 21.090 -0.663) 27.026 4.518 ( -2.148 9.358 -14.962) 17.778 4.649 ( 2.489 12.582 -3.688) 13.346 4.728 ( 4.228 10.632 2.771) 11.773 4.863 ( 8.803 2.580 -8.162) 12.279 5.114 ( -7.347 -7.394 -0.134) 10.424 5.242 ( -2.347 -8.756 -1.725) 9.228 5.424 ( -3.247 6.517 7.152) 10.206 5.650 ( 1.607 0.780 6.705) 6.939 5.904 ( -9.526 1.913 2.046) 9.929 6.065 ( 3.791 -5.162 -2.957) 7.055 6.291 ( -6.012 4.873 -2.093) 8.017 6.471 ( -1.443 2.789 3.826) 4.950 6.627 ( -1.918 -0.935 0.317) 2.157 6.791 ( 7.948 -2.447 -2.042) 8.563 7.298 ( 2.584 1.198 0.430) 2.881 7.356 ( 9.315 0.774 -4.689) 10.457 8.616 ( 0.854 11.463 4.309) 12.276 8.715 ( 6.915 7.391 0.589) 10.138 8.992 ( -7.790 7.922 -8.047) 13.718 9.268 ( -3.907 -3.100 4.346) 6.615 9.681 ( 0.803 -3.486 -9.872) 10.500 9.851 ( -2.382 -9.305 8.017) 12.512 10.272 ( -10.102 -2.986 -0.932) 10.575 10.440 ( -6.093 -8.665 6.443) 12.398 11.205 ( 11.932 3.510 -4.139) 13.108 11.268 ( 6.606 2.741 -6.705) 9.804 11.371 ( 9.487 -1.373 7.712) 12.303 11.479 ( 6.217 -3.920 6.158) 9.588 14.416 ( 1.992 6.885 -15.573) 17.143 14.595 ( 0.007 1.341 -15.018) 15.078 14.669 ( -4.778 10.784 -6.066) 13.264 14.851 ( -8.795 13.546 0.938) 16.178 14.993 ( 4.311 13.723 4.744) 15.146 15.169 ( -4.310 -5.773 15.649) 17.228 15.499 ( -9.315 -12.790 2.457) 16.012 15.541 ( -7.373 -12.058 1.254) 14.189 20.270 ( -0.168 13.521 -0.181) 13.524 20.342 ( 3.179 11.081 0.545) 11.541 22.058 ( 2.107 -6.490 0.927) 6.886 22.140 ( 1.642 -9.271 7.187) 11.845 ======================= Grid point 318 (151/160) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -1.140 7.836 3.785) 8.776 1.747 ( 1.331 3.317 -4.565) 5.798 1.841 ( 2.393 9.527 -3.355) 10.380 1.985 ( 2.939 -2.976 3.386) 5.381 2.027 ( 3.617 4.618 4.759) 7.554 2.098 ( 0.242 -2.600 -2.236) 3.438 2.101 ( -0.621 -3.454 -0.287) 3.521 2.209 ( -2.421 -7.377 6.924) 10.403 2.290 ( -5.925 1.396 2.649) 6.639 2.460 ( 0.358 -4.081 -5.684) 7.006 2.491 ( -4.174 -1.937 2.479) 5.226 2.668 ( -4.513 -4.807 4.627) 8.055 3.273 ( 1.383 11.911 -1.678) 12.108 3.488 ( -4.380 1.916 -3.090) 5.692 3.589 ( -8.985 8.729 0.031) 12.527 3.848 ( -2.882 8.197 -6.376) 10.777 3.941 ( -4.998 0.996 -17.356) 18.089 4.065 ( -12.380 15.217 -9.607) 21.843 4.193 ( 2.696 11.718 0.012) 12.024 4.326 ( 9.478 13.773 -14.282) 21.989 4.481 ( 9.526 5.953 -2.325) 11.471 4.635 ( -0.854 8.582 -4.219) 9.601 4.754 ( -4.108 -1.849 -2.524) 5.164 4.795 ( -8.294 -5.790 -0.878) 10.153 5.033 ( 2.836 -6.878 0.325) 7.447 5.231 ( 1.427 -6.883 4.441) 8.315 5.448 ( -5.395 4.167 5.742) 8.913 5.589 ( -14.610 -3.102 -1.557) 15.016 5.823 ( -0.466 7.114 3.027) 7.745 6.072 ( -2.001 -1.209 1.103) 2.585 6.227 ( -1.165 6.930 1.059) 7.106 6.473 ( -3.327 3.729 3.527) 6.116 6.623 ( 3.224 3.433 -3.898) 6.113 6.866 ( 5.038 -2.045 -5.253) 7.560 7.351 ( 6.398 1.949 -5.125) 8.426 7.427 ( 5.781 -0.042 -6.745) 8.884 8.738 ( 5.008 9.462 6.974) 12.776 8.812 ( 1.680 9.847 3.138) 10.471 8.894 ( 5.625 7.212 -0.355) 9.153 9.196 ( -5.619 -6.041 0.006) 8.250 9.609 ( 0.630 -2.348 -4.746) 5.332 9.885 ( -3.090 -11.532 4.092) 12.620 10.087 ( -12.332 2.562 2.444) 12.831 10.376 ( -8.407 -8.733 2.736) 12.427 11.354 ( 13.634 5.746 -4.630) 15.503 11.413 ( 13.414 5.333 0.299) 14.439 11.609 ( 9.111 -3.136 4.419) 10.601 11.686 ( 9.421 -4.379 6.963) 12.506 14.294 ( -2.946 6.322 -7.278) 10.080 14.448 ( -6.848 6.405 -3.080) 9.869 14.493 ( 6.512 0.993 -18.693) 19.820 14.637 ( -8.949 10.116 -7.501) 15.449 15.019 ( -19.825 -15.027 0.482) 24.881 15.147 ( -4.232 1.207 4.006) 5.951 15.300 ( -7.339 -3.454 2.312) 8.434 15.640 ( 3.833 -5.781 12.118) 13.963 20.259 ( -1.103 7.102 -0.660) 7.217 20.382 ( 0.127 2.613 0.751) 2.721 22.144 ( 4.267 -1.903 4.480) 6.473 22.264 ( 2.038 -6.672 8.689) 11.143 ======================= Grid point 319 (152/160) ======================= q-point: ( 0.30 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -2.734 7.032 1.163) 7.634 1.666 ( -0.587 1.804 -9.540) 9.727 1.808 ( -0.816 8.032 -3.249) 8.702 1.990 ( -0.771 0.497 -0.667) 1.134 2.065 ( 0.376 0.111 -0.131) 0.414 2.129 ( 3.460 -4.657 1.753) 6.061 2.187 ( -2.721 3.502 2.779) 5.234 2.229 ( 3.604 -1.818 1.957) 4.486 2.288 ( -4.618 -4.987 8.680) 11.025 2.418 ( 2.203 -2.062 -5.053) 5.885 2.465 ( -2.850 -1.591 1.835) 3.745 2.679 ( -2.675 -8.134 6.321) 10.643 3.167 ( -14.260 11.786 -2.684) 18.694 3.261 ( -3.135 2.153 -19.284) 19.655 3.452 ( -5.044 7.240 -5.570) 10.435 3.502 ( -11.453 5.617 -20.670) 24.290 3.711 ( -2.340 5.535 -8.684) 10.560 3.932 ( -1.033 2.136 1.895) 3.037 4.143 ( -8.253 -5.231 -5.921) 11.425 4.356 ( -14.938 -15.825 -7.964) 23.174 4.422 ( 9.559 9.029 -5.242) 14.155 4.584 ( 6.061 17.265 -0.490) 18.304 4.708 ( -0.734 0.304 5.621) 5.677 4.820 ( 4.375 1.383 1.970) 4.994 5.106 ( -3.382 -5.732 1.328) 6.787 5.209 ( -6.020 4.264 5.605) 9.265 5.369 ( -2.631 -0.457 -5.282) 5.919 5.527 ( 8.271 1.401 3.538) 9.104 5.865 ( -2.116 7.770 5.110) 9.537 6.044 ( -0.528 1.553 -0.485) 1.710 6.218 ( -3.355 4.551 2.915) 6.361 6.452 ( -5.174 1.137 5.383) 7.552 6.614 ( 2.662 5.103 -7.121) 9.156 6.810 ( -0.440 -0.810 -10.425) 10.465 7.374 ( 4.702 -1.747 -6.650) 8.330 7.403 ( 2.741 -3.025 -6.968) 8.075 8.894 ( 6.341 10.251 -0.228) 12.056 8.932 ( 6.724 9.618 6.684) 13.505 9.056 ( 6.530 9.604 5.860) 13.008 9.191 ( 4.593 -6.622 5.356) 9.676 9.576 ( -0.119 -5.939 -2.215) 6.340 9.802 ( -9.102 -6.013 0.304) 10.913 9.978 ( -6.585 1.663 4.539) 8.169 10.232 ( -9.643 -6.016 -1.479) 11.461 11.561 ( 13.976 6.538 -0.909) 15.457 11.636 ( 12.086 4.440 1.637) 12.979 11.779 ( 7.296 -1.307 2.111) 7.707 11.893 ( 6.157 -4.263 5.568) 9.332 14.122 ( -9.870 2.961 -0.779) 10.334 14.265 ( -13.514 3.362 0.250) 13.928 14.446 ( 3.352 -5.001 -8.275) 10.233 14.536 ( 10.732 1.939 -13.643) 17.466 14.691 ( -16.477 -13.861 -0.790) 21.546 14.841 ( -18.717 -16.267 -4.738) 25.247 15.451 ( 9.438 12.291 4.421) 16.115 15.805 ( 1.275 -3.620 7.754) 8.652 20.215 ( -2.704 -0.072 -1.032) 2.895 20.350 ( -4.366 -4.973 -0.102) 6.618 22.281 ( 4.938 1.054 5.435) 7.418 22.391 ( 1.386 -3.734 7.764) 8.726 ======================= Grid point 320 (153/160) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 4.242 1.308 -9.275) 10.282 1.560 ( -3.260 -1.308 -0.485) 3.546 1.759 ( -1.421 5.407 -0.404) 5.606 1.915 ( -6.277 -3.646 -3.280) 7.966 2.065 ( 1.643 3.808 -2.553) 4.870 2.146 ( -1.382 3.527 3.118) 4.906 2.213 ( -4.602 0.721 -0.892) 4.743 2.281 ( 4.134 -0.736 3.701) 5.597 2.317 ( 1.864 -0.674 -0.076) 1.984 2.408 ( 1.096 3.486 -1.235) 3.857 2.473 ( 0.301 -1.226 5.076) 5.231 2.645 ( -8.740 -4.812 3.922) 10.720 2.779 ( -9.677 2.965 -22.194) 24.392 3.035 ( -9.879 0.023 -6.773) 11.978 3.223 ( 11.204 -5.104 -14.525) 19.041 3.388 ( 1.214 -4.655 -0.802) 4.877 3.658 ( -5.227 -3.503 2.084) 6.628 3.808 ( -15.782 -11.703 -6.957) 20.843 3.957 ( -5.933 -1.770 2.489) 6.674 4.032 ( -12.382 -7.904 -0.403) 14.695 4.545 ( 10.039 10.898 -4.209) 15.403 4.663 ( 0.448 5.414 2.620) 6.031 4.773 ( 5.839 8.619 -0.353) 10.417 4.903 ( 4.790 7.777 -0.002) 9.134 5.046 ( -3.337 -6.420 1.249) 7.342 5.193 ( -8.208 9.777 5.764) 14.007 5.376 ( 9.664 1.465 -5.018) 10.988 5.634 ( -5.027 -0.210 4.100) 6.490 5.897 ( 3.844 5.039 3.276) 7.135 6.053 ( 1.506 0.273 -0.782) 1.719 6.225 ( 1.358 5.624 2.351) 6.246 6.418 ( -7.270 4.563 4.914) 9.890 6.556 ( 0.907 0.639 -5.677) 5.785 6.659 ( -2.578 -1.666 -9.056) 9.562 7.363 ( 1.707 -6.467 -2.979) 7.322 7.384 ( 2.698 -6.061 -4.877) 8.234 8.977 ( 5.408 14.064 -0.981) 15.099 9.049 ( 1.253 12.925 1.510) 13.073 9.251 ( 9.147 4.497 5.789) 11.722 9.415 ( 9.722 -3.498 7.268) 12.632 9.550 ( -0.232 -7.445 -3.211) 8.112 9.667 ( -8.591 0.835 3.627) 9.363 9.926 ( -4.509 -2.950 1.837) 5.693 10.046 ( -8.687 -3.658 -3.756) 10.147 11.744 ( 8.090 6.422 0.734) 10.355 11.814 ( 6.531 2.810 0.055) 7.110 11.905 ( 6.498 0.591 1.399) 6.673 12.005 ( 1.193 -3.469 3.297) 4.932 14.011 ( -2.307 -5.158 -0.372) 5.662 14.097 ( -5.821 -6.339 -0.404) 8.616 14.283 ( -12.969 -12.874 -0.053) 18.274 14.401 ( -17.664 -16.873 0.210) 24.429 14.626 ( 8.435 1.041 -5.503) 10.125 14.668 ( 6.122 -1.290 -8.002) 10.157 15.642 ( 8.997 8.884 2.077) 12.813 15.851 ( -3.231 -0.448 3.244) 4.600 20.167 ( -1.530 -5.896 -0.343) 6.101 20.256 ( -5.447 -9.034 -1.139) 10.610 22.411 ( 4.054 1.540 3.564) 5.613 22.474 ( -0.213 -1.365 4.606) 4.809 ======================= Grid point 321 (154/160) ======================= q-point: (-0.50 0.38 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 8.314 -5.429 -5.959) 11.581 1.493 ( -8.314 -5.429 5.959) 11.581 1.789 ( -2.993 0.380 -3.381) 4.531 1.789 ( 2.993 0.380 3.381) 4.531 2.070 ( 4.743 3.328 -2.221) 6.205 2.070 ( -4.743 3.328 2.221) 6.205 2.261 ( -4.005 6.030 -3.381) 7.989 2.261 ( 4.005 6.030 3.381) 7.989 2.377 ( -1.612 1.903 -3.285) 4.124 2.377 ( 1.612 1.903 3.285) 4.124 2.536 ( 7.522 -3.596 -13.992) 16.287 2.536 ( -7.522 -3.596 13.992) 16.287 2.738 ( -6.751 3.723 -12.048) 14.303 2.738 ( 6.751 3.723 12.048) 14.303 3.440 ( -17.610 -17.316 0.892) 24.713 3.440 ( 17.610 -17.316 -0.892) 24.713 3.506 ( -10.133 -15.815 -0.263) 18.785 3.506 ( 10.133 -15.815 0.263) 18.785 3.941 ( 1.465 7.712 -1.591) 8.009 3.941 ( -1.465 7.712 1.591) 8.009 4.649 ( 3.459 6.034 -6.136) 9.275 4.649 ( -3.459 6.034 6.136) 9.275 4.890 ( -8.861 0.777 1.167) 8.972 4.890 ( 8.861 0.777 -1.167) 8.972 5.077 ( 11.847 9.101 -5.279) 15.844 5.077 ( -11.847 9.101 5.279) 15.844 5.517 ( 0.549 1.316 -2.360) 2.757 5.517 ( -0.549 1.316 2.360) 2.757 6.020 ( -2.696 1.429 -4.237) 5.221 6.020 ( 2.696 1.429 4.237) 5.221 6.316 ( -6.200 7.320 -1.545) 9.717 6.316 ( 6.200 7.320 1.545) 9.717 6.556 ( 1.432 -2.645 -4.739) 5.613 6.556 ( -1.432 -2.645 4.739) 5.613 7.370 ( 0.646 -7.629 -1.953) 7.901 7.370 ( -0.646 -7.629 1.953) 7.901 9.041 ( -1.743 14.653 -0.403) 14.762 9.041 ( 1.743 14.653 0.403) 14.762 9.442 ( -4.711 0.906 -5.435) 7.249 9.442 ( 4.711 0.906 5.435) 7.249 9.602 ( -5.581 -3.000 -0.383) 6.347 9.602 ( 5.581 -3.000 0.383) 6.347 9.909 ( -1.370 -3.483 -2.838) 4.697 9.909 ( 1.370 -3.483 2.838) 4.697 11.837 ( -2.019 4.670 -0.914) 5.169 11.837 ( 2.019 4.670 0.914) 5.169 12.006 ( -3.507 -1.464 0.496) 3.832 12.006 ( 3.507 -1.464 -0.496) 3.832 14.033 ( -3.125 -11.966 -0.208) 12.369 14.033 ( 3.125 -11.966 0.208) 12.369 14.192 ( -4.697 -12.291 -0.373) 13.163 14.192 ( 4.697 -12.291 0.373) 13.163 14.678 ( -0.440 1.042 -0.835) 1.406 14.678 ( 0.440 1.042 0.835) 1.406 15.785 ( -6.890 4.037 0.180) 7.987 15.785 ( 6.890 4.037 -0.180) 7.987 20.175 ( -2.362 -9.208 -0.850) 9.544 20.175 ( 2.362 -9.208 0.850) 9.544 22.483 ( -2.239 0.455 0.288) 2.303 22.483 ( 2.239 0.455 -0.288) 2.303 ======================= Grid point 327 (155/160) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -0.000 0.000 0.000) 0.000 1.412 ( 0.000 0.000 0.000) 0.000 1.820 ( 0.000 -0.000 -0.000) 0.000 1.820 ( 0.000 0.000 0.000) 0.000 2.019 ( -0.000 -0.000 0.000) 0.000 2.019 ( -0.000 0.000 0.000) 0.000 2.314 ( 0.000 0.000 0.000) 0.000 2.314 ( -0.000 0.000 0.000) 0.000 2.444 ( 0.000 0.000 -0.000) 0.000 2.444 ( 0.000 0.000 0.000) 0.000 2.715 ( -0.000 0.000 0.000) 0.000 2.715 ( 0.000 0.000 0.000) 0.000 3.264 ( -0.000 0.000 0.000) 0.000 3.264 ( -0.000 0.000 0.000) 0.000 4.006 ( -0.000 -0.000 -0.000) 0.000 4.006 ( 0.000 0.000 0.000) 0.000 4.121 ( -0.000 0.000 -0.000) 0.000 4.121 ( -0.000 0.000 0.000) 0.000 4.662 ( -0.000 0.000 0.000) 0.000 4.662 ( -0.000 0.000 0.000) 0.000 4.837 ( -0.000 0.000 0.000) 0.000 4.837 ( 0.000 0.000 0.000) 0.000 4.904 ( 0.000 -0.000 -0.000) 0.000 4.904 ( -0.000 0.000 0.000) 0.000 5.152 ( 0.000 -0.000 0.000) 0.000 5.152 ( -0.000 0.000 0.000) 0.000 5.494 ( 0.000 0.000 -0.000) 0.000 5.494 ( -0.000 0.000 0.000) 0.000 5.998 ( 0.000 0.000 0.000) 0.000 5.998 ( 0.000 0.000 0.000) 0.000 6.388 ( 0.000 0.000 0.000) 0.000 6.388 ( 0.000 0.000 0.000) 0.000 6.660 ( -0.000 0.000 0.000) 0.000 6.660 ( -0.000 0.000 0.000) 0.000 7.291 ( -0.000 0.000 0.000) 0.000 7.291 ( 0.000 0.000 0.000) 0.000 8.752 ( -0.000 0.000 0.000) 0.000 8.752 ( -0.000 0.000 0.000) 0.000 9.238 ( -0.000 0.000 0.000) 0.000 9.238 ( -0.000 0.000 0.000) 0.000 9.678 ( -0.000 0.000 0.000) 0.000 9.678 ( 0.000 -0.000 0.000) 0.000 10.351 ( -0.000 0.000 0.000) 0.000 10.351 ( -0.000 0.000 0.000) 0.000 11.162 ( 0.000 0.000 -0.000) 0.000 11.162 ( -0.000 0.000 0.000) 0.000 11.333 ( -0.000 0.000 0.000) 0.000 11.333 ( 0.000 0.000 0.000) 0.000 14.749 ( -0.000 0.000 -0.000) 0.000 14.749 ( 0.000 -0.000 0.000) 0.000 14.776 ( 0.000 0.000 -0.000) 0.000 14.776 ( 0.000 0.000 0.000) 0.000 15.292 ( 0.000 -0.000 -0.000) 0.000 15.292 ( -0.000 0.000 0.000) 0.000 15.318 ( -0.000 0.000 0.000) 0.000 15.318 ( -0.000 0.000 0.000) 0.000 20.478 ( 0.000 0.000 0.000) 0.000 20.478 ( -0.000 0.000 0.000) 0.000 21.939 ( -0.000 0.000 0.000) 0.000 21.939 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 331 (156/160) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 7.391 -6.179 7.805) 12.398 1.542 ( 7.391 6.179 7.805) 12.398 1.863 ( 1.929 -3.078 4.629) 5.884 1.863 ( 1.929 3.078 4.629) 5.884 2.017 ( 0.103 -4.162 -0.849) 4.249 2.017 ( 0.103 4.162 -0.849) 4.249 2.293 ( -3.381 -6.197 -1.804) 7.286 2.293 ( -3.381 6.197 -1.804) 7.286 2.383 ( -1.543 -9.498 -6.362) 11.535 2.383 ( -1.543 9.498 -6.362) 11.535 2.622 ( -8.656 -4.771 2.235) 10.133 2.622 ( -8.656 4.771 2.235) 10.134 3.326 ( 4.410 -3.827 2.854) 6.499 3.326 ( 4.410 3.827 2.854) 6.499 3.945 ( -4.431 -5.259 -3.702) 7.809 3.945 ( -4.431 5.259 -3.702) 7.809 4.205 ( 6.973 -7.893 1.785) 10.682 4.205 ( 6.973 7.893 1.785) 10.682 4.578 ( 2.074 -4.176 -15.460) 16.148 4.578 ( 2.074 4.176 -15.460) 16.148 4.807 ( -11.980 -2.064 1.748) 12.282 4.807 ( -11.980 2.064 1.748) 12.282 4.839 ( -3.450 -11.117 -4.356) 12.429 4.839 ( -3.450 11.117 -4.356) 12.429 5.000 ( -5.351 -10.099 -3.250) 11.882 5.000 ( -5.351 10.099 -3.250) 11.882 5.583 ( -3.751 -7.601 11.547) 14.324 5.583 ( -3.751 7.601 11.547) 14.324 5.956 ( -1.414 -4.793 -1.562) 5.235 5.956 ( -1.414 4.793 -1.562) 5.235 6.409 ( 1.529 -5.815 -0.061) 6.013 6.409 ( 1.529 5.815 -0.061) 6.013 6.697 ( 4.403 -5.689 -0.740) 7.232 6.697 ( 4.403 5.689 -0.740) 7.232 7.337 ( 6.557 -2.145 -2.420) 7.311 7.337 ( 6.557 2.145 -2.420) 7.311 8.789 ( 4.248 -2.624 0.249) 4.999 8.789 ( 4.248 2.624 0.249) 4.999 9.158 ( -5.862 -7.323 -2.977) 9.841 9.158 ( -5.862 7.323 -2.977) 9.841 9.683 ( 0.394 -4.974 -1.034) 5.096 9.683 ( 0.394 4.974 -1.034) 5.096 10.292 ( -8.963 -4.787 4.789) 11.233 10.292 ( -8.963 4.787 4.789) 11.233 11.274 ( 10.934 -2.602 0.284) 11.243 11.274 ( 10.934 2.602 0.284) 11.243 11.395 ( 6.579 -3.786 2.149) 7.889 11.395 ( 6.579 3.786 2.149) 7.889 14.533 ( 3.916 -4.593 -21.448) 22.281 14.533 ( 3.916 4.593 -21.448) 22.281 14.931 ( -8.238 -10.224 9.335) 16.111 14.931 ( -8.238 10.224 9.335) 16.111 15.193 ( -12.415 -8.403 -0.492) 14.999 15.193 ( -12.415 8.403 -0.492) 14.999 15.292 ( -0.855 -8.164 6.842) 10.686 15.292 ( -0.855 8.164 6.842) 10.686 20.452 ( -2.814 -2.060 -0.445) 3.516 20.452 ( -2.814 2.060 -0.445) 3.516 22.003 ( 4.141 -2.364 4.606) 6.630 22.003 ( 4.141 2.364 4.606) 6.630 ======================= Grid point 333 (157/160) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 0.201 -7.466 3.510) 8.252 1.698 ( 0.202 7.466 3.510) 8.252 1.954 ( 2.735 -3.166 -1.885) 4.588 1.954 ( 2.735 3.166 -1.885) 4.588 2.022 ( 0.151 -6.326 6.802) 9.290 2.022 ( 0.151 6.326 6.802) 9.290 2.149 ( -4.051 -3.773 -3.488) 6.544 2.149 ( -4.051 3.773 -3.488) 6.544 2.343 ( 2.396 -5.127 -4.088) 6.982 2.343 ( 2.396 5.127 -4.088) 6.982 2.545 ( -6.825 -5.833 5.000) 10.276 2.545 ( -6.825 5.833 5.000) 10.276 3.441 ( 3.993 -5.665 2.353) 7.320 3.441 ( 3.993 5.665 2.353) 7.320 3.759 ( -10.135 -7.190 -7.239) 14.381 3.759 ( -10.135 7.190 -7.239) 14.381 4.233 ( -1.288 -11.203 -17.212) 20.577 4.233 ( -1.288 11.203 -17.212) 20.577 4.429 ( -14.934 -14.765 -9.390) 23.005 4.429 ( -14.934 14.765 -9.390) 23.005 4.508 ( -2.645 -1.682 0.393) 3.159 4.508 ( -2.645 1.682 0.393) 3.159 4.730 ( -2.099 -2.240 2.156) 3.752 4.730 ( -2.099 2.240 2.156) 3.752 5.067 ( 7.123 -7.476 2.260) 10.570 5.067 ( 7.123 7.476 2.260) 10.570 5.526 ( -10.627 -3.399 3.329) 11.643 5.526 ( -10.627 3.399 3.329) 11.643 5.982 ( 1.081 -6.751 3.739) 7.792 5.982 ( 1.081 6.751 3.739) 7.792 6.402 ( -2.004 -7.971 -1.029) 8.283 6.402 ( -2.004 7.971 -1.029) 8.283 6.757 ( 5.045 -7.606 -3.757) 9.870 6.757 ( 5.045 7.606 -3.757) 9.870 7.401 ( 5.904 -2.597 -6.427) 9.105 7.401 ( 5.904 2.597 -6.427) 9.105 8.891 ( 5.055 -4.235 4.110) 7.771 8.891 ( 5.055 4.235 4.110) 7.771 9.062 ( -0.176 -7.991 -1.658) 8.163 9.062 ( -0.176 7.991 -1.658) 8.163 9.650 ( -2.273 -8.560 -1.687) 9.016 9.650 ( -2.273 8.560 -1.687) 9.016 10.202 ( -9.317 -7.649 5.288) 13.163 10.202 ( -9.317 7.649 5.288) 13.163 11.464 ( 12.566 -3.031 -0.261) 12.929 11.464 ( 12.566 3.031 -0.261) 12.929 11.588 ( 10.474 -3.561 4.521) 11.951 11.588 ( 10.474 3.561 4.521) 11.951 14.407 ( 5.024 -4.443 -14.421) 15.905 14.407 ( 5.024 4.443 -14.421) 15.905 14.711 ( -18.260 -14.033 -1.272) 23.065 14.711 ( -18.260 14.033 -1.272) 23.065 14.895 ( -18.915 -14.458 -3.857) 24.118 14.895 ( -18.915 14.458 -3.857) 24.118 15.478 ( 6.179 -9.926 10.920) 15.998 15.478 ( 6.179 9.926 10.920) 15.998 20.375 ( -5.766 -3.380 -0.702) 6.720 20.375 ( -5.766 3.380 -0.702) 6.720 22.156 ( 5.488 -3.220 7.098) 9.533 22.156 ( 5.488 3.220 7.098) 9.533 ======================= Grid point 335 (158/160) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -3.761 -4.582 -5.069) 7.800 1.635 ( -3.761 4.582 -5.069) 7.800 1.940 ( -2.119 -5.068 -1.438) 5.678 1.940 ( -2.119 5.068 -1.438) 5.678 2.066 ( 2.327 -0.829 0.800) 2.596 2.066 ( 2.327 0.829 0.800) 2.596 2.203 ( 2.602 -1.277 6.511) 7.127 2.203 ( 2.602 1.277 6.511) 7.127 2.338 ( 2.597 -5.949 -4.122) 7.690 2.338 ( 2.597 5.949 -4.122) 7.690 2.506 ( -4.182 -6.410 5.107) 9.201 2.506 ( -4.182 6.410 5.107) 9.201 3.275 ( -13.153 -1.876 -17.902) 22.293 3.275 ( -13.153 1.876 -17.902) 22.293 3.621 ( -5.660 -2.107 1.588) 6.245 3.621 ( -5.660 2.107 1.588) 6.245 3.894 ( -14.696 -14.735 -16.684) 26.673 3.894 ( -14.696 14.735 -16.684) 26.673 4.021 ( -12.962 -10.806 -2.264) 17.026 4.021 ( -12.962 10.806 -2.264) 17.026 4.610 ( 4.285 -7.368 2.164) 8.794 4.610 ( 4.285 7.368 2.164) 8.794 4.825 ( 8.268 -3.600 2.233) 9.290 4.825 ( 8.268 3.600 2.233) 9.290 5.133 ( -2.889 -7.472 1.082) 8.084 5.133 ( -2.889 7.472 1.082) 8.084 5.482 ( 3.532 -6.240 1.491) 7.324 5.482 ( 3.532 6.240 1.491) 7.324 6.008 ( -2.672 -5.018 2.428) 6.182 6.008 ( -2.672 5.018 2.428) 6.182 6.347 ( -3.007 -7.517 0.983) 8.156 6.347 ( -3.007 7.517 0.983) 8.156 6.745 ( 0.819 -5.667 -7.239) 9.230 6.745 ( 0.819 5.667 -7.239) 9.230 7.366 ( 0.977 -1.208 -7.737) 7.892 7.366 ( 0.977 1.208 -7.737) 7.892 9.049 ( 6.066 -6.901 6.617) 11.323 9.049 ( 6.066 6.901 6.617) 11.323 9.136 ( 8.577 -5.749 1.229) 10.398 9.136 ( 8.577 5.749 1.229) 10.398 9.585 ( -3.592 -9.819 -0.590) 10.472 9.585 ( -3.592 9.819 -0.590) 10.472 10.097 ( -9.031 -6.965 2.248) 11.625 10.097 ( -9.031 6.965 2.248) 11.625 11.676 ( 12.209 -2.927 0.654) 12.572 11.676 ( 12.209 2.927 0.654) 12.572 11.791 ( 7.744 -4.413 3.943) 9.746 11.791 ( 7.744 4.413 3.943) 9.746 14.255 ( -15.359 -8.910 -0.785) 17.773 14.255 ( -15.359 8.910 -0.785) 17.773 14.427 ( -15.760 -9.740 -1.744) 18.609 14.427 ( -15.760 9.740 -1.744) 18.609 14.623 ( 3.091 -5.191 -11.832) 13.286 14.623 ( 3.091 5.191 -11.832) 13.286 15.676 ( 4.989 -8.881 6.711) 12.198 15.676 ( 4.989 8.881 6.711) 12.198 20.253 ( -7.514 -3.710 -1.075) 8.448 20.253 ( -7.514 3.710 -1.075) 8.448 22.322 ( 4.416 -2.794 6.858) 8.622 22.322 ( 4.416 2.794 6.858) 8.622 ======================= Grid point 337 (159/160) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -2.919 -2.273 -8.237) 9.030 1.500 ( -2.919 2.273 -8.237) 9.030 1.854 ( -5.381 -3.415 -0.924) 6.440 1.854 ( -5.381 3.415 -0.924) 6.440 2.136 ( 2.376 -3.870 -0.441) 4.562 2.136 ( 2.376 3.870 -0.441) 4.562 2.267 ( 2.947 -3.843 0.108) 4.845 2.267 ( 2.947 3.843 0.108) 4.845 2.358 ( 4.158 -5.839 -1.383) 7.300 2.358 ( 4.158 5.839 -1.383) 7.300 2.529 ( -3.733 -4.675 5.273) 7.974 2.529 ( -3.733 4.675 5.273) 7.974 2.886 ( -4.542 -7.981 -13.218) 16.095 2.886 ( -4.542 7.981 -13.218) 16.095 3.419 ( -16.716 -14.581 -3.704) 22.489 3.419 ( -16.716 14.581 -3.704) 22.489 3.466 ( -14.742 -13.585 -6.283) 21.009 3.466 ( -14.742 13.585 -6.283) 21.009 3.995 ( 2.956 -2.454 2.285) 4.470 3.995 ( 2.956 2.454 2.285) 4.470 4.676 ( 1.214 -2.820 1.463) 3.401 4.676 ( 1.214 2.820 1.463) 3.401 4.908 ( -0.974 -6.265 -0.765) 6.386 4.908 ( -0.974 6.265 -0.765) 6.386 5.148 ( 7.586 -11.007 -1.899) 13.502 5.148 ( 7.586 11.007 -1.899) 13.502 5.538 ( -2.155 -9.106 2.626) 9.719 5.538 ( -2.155 9.106 2.626) 9.719 6.003 ( 1.597 -4.354 0.463) 4.661 6.003 ( 1.597 4.354 0.463) 4.661 6.356 ( -0.017 -6.295 4.382) 7.670 6.356 ( -0.017 6.295 4.382) 7.670 6.630 ( -3.807 -2.718 -6.763) 8.223 6.630 ( -3.807 2.718 -6.763) 8.223 7.301 ( 0.455 -1.101 -4.691) 4.840 7.301 ( 0.455 1.101 -4.691) 4.840 9.202 ( 6.632 -5.762 1.534) 8.919 9.202 ( 6.632 5.762 1.534) 8.919 9.310 ( 6.253 -8.355 2.973) 10.851 9.310 ( 6.253 8.355 2.973) 10.851 9.545 ( -1.274 -8.777 2.611) 9.245 9.545 ( -1.274 8.777 2.611) 9.245 9.963 ( -7.953 -4.272 -0.802) 9.064 9.963 ( -7.953 4.272 -0.802) 9.064 11.845 ( 6.972 -1.449 0.388) 7.132 11.845 ( 6.972 1.449 0.388) 7.132 11.925 ( 4.055 -2.932 2.492) 5.591 11.925 ( 4.055 2.932 2.492) 5.591 14.003 ( -12.267 -3.865 0.161) 12.862 14.003 ( -12.267 3.865 0.161) 12.862 14.168 ( -11.874 -4.046 -0.301) 12.548 14.168 ( -11.874 4.046 -0.301) 12.548 14.651 ( 8.962 -0.977 -6.914) 11.361 14.651 ( 8.962 0.977 -6.914) 11.361 15.791 ( 2.480 -5.299 2.875) 6.519 15.791 ( 2.480 5.299 2.875) 6.519 20.128 ( -5.609 -2.462 -0.983) 6.203 20.128 ( -5.609 2.462 -0.983) 6.203 22.443 ( 2.339 -1.589 4.173) 5.041 22.443 ( 2.339 1.589 4.173) 5.041 ======================= Grid point 339 (160/160) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 0.000 0.000 0.000) 0.000 1.409 ( 0.000 0.000 -0.000) 0.000 1.795 ( 0.000 0.000 -0.000) 0.000 1.795 ( 0.000 0.000 -0.000) 0.000 2.127 ( 0.000 0.000 0.000) 0.000 2.127 ( 0.000 0.000 -0.000) 0.000 2.316 ( 0.000 0.000 -0.000) 0.000 2.316 ( 0.000 0.000 0.000) 0.000 2.410 ( 0.000 0.000 -0.000) 0.000 2.410 ( 0.000 0.000 0.000) 0.000 2.466 ( 0.000 0.000 -0.000) 0.000 2.466 ( 0.000 0.000 0.000) 0.000 2.872 ( 0.000 0.000 -0.000) 0.000 2.872 ( 0.000 0.000 0.000) 0.000 3.167 ( 0.000 0.000 0.000) 0.000 3.167 ( 0.000 -0.000 0.000) 0.000 3.323 ( 0.000 0.000 0.000) 0.000 3.323 ( 0.000 0.000 0.000) 0.000 4.046 ( 0.000 0.000 -0.000) 0.000 4.046 ( 0.000 0.000 0.000) 0.000 4.689 ( 0.000 0.000 -0.000) 0.000 4.689 ( 0.000 0.000 -0.000) 0.000 4.878 ( 0.000 0.000 -0.000) 0.000 4.878 ( 0.000 0.000 -0.000) 0.000 5.222 ( -0.000 -0.000 0.000) 0.000 5.222 ( 0.000 0.000 0.000) 0.000 5.519 ( 0.000 -0.000 -0.000) 0.000 5.519 ( 0.000 0.000 0.000) 0.000 6.032 ( 0.000 0.000 0.000) 0.000 6.032 ( 0.000 0.000 0.000) 0.000 6.408 ( -0.000 0.000 0.000) 0.000 6.408 ( 0.000 0.000 0.000) 0.000 6.529 ( 0.000 0.000 -0.000) 0.000 6.529 ( 0.000 0.000 -0.000) 0.000 7.278 ( 0.000 0.000 0.000) 0.000 7.278 ( 0.000 0.000 -0.000) 0.000 9.281 ( -0.000 -0.000 0.000) 0.000 9.281 ( 0.000 0.000 0.000) 0.000 9.351 ( 0.000 -0.000 -0.000) 0.000 9.351 ( 0.000 0.000 -0.000) 0.000 9.591 ( 0.000 -0.000 -0.000) 0.000 9.591 ( 0.000 0.000 0.000) 0.000 9.868 ( 0.000 0.000 -0.000) 0.000 9.868 ( 0.000 0.000 0.000) 0.000 11.903 ( -0.000 -0.000 0.000) 0.000 11.903 ( 0.000 0.000 0.000) 0.000 11.974 ( 0.000 0.000 0.000) 0.000 11.974 ( 0.000 0.000 -0.000) 0.000 13.900 ( 0.000 0.000 -0.000) 0.000 13.900 ( 0.000 0.000 -0.000) 0.000 14.067 ( 0.000 0.000 0.000) 0.000 14.067 ( 0.000 0.000 -0.000) 0.000 14.691 ( 0.000 0.000 0.000) 0.000 14.691 ( 0.000 0.000 0.000) 0.000 15.827 ( 0.000 0.000 -0.000) 0.000 15.827 ( 0.000 0.000 0.000) 0.000 20.072 ( 0.000 0.000 0.000) 0.000 20.072 ( 0.000 0.000 0.000) 0.000 22.487 ( 0.000 0.000 -0.000) 0.000 22.487 ( 0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/28800 10.0 27.557 48.165 77.212 0.000 1.993 0.000 3/28800 20.0 10.427 16.617 17.958 0.000 -0.927 0.000 3/28800 30.0 5.780 8.077 8.611 0.000 -0.461 0.000 3/28800 40.0 3.977 5.131 5.588 0.000 -0.268 0.000 3/28800 50.0 3.081 3.804 4.198 0.000 -0.179 0.000 3/28800 60.0 2.552 3.071 3.403 0.000 -0.132 0.000 3/28800 70.0 2.200 2.605 2.883 0.000 -0.103 0.000 3/28800 80.0 1.949 2.279 2.513 0.000 -0.085 0.000 3/28800 90.0 1.759 2.036 2.236 0.000 -0.071 0.000 3/28800 100.0 1.611 1.847 2.020 0.000 -0.062 0.000 3/28800 110.0 1.492 1.696 1.846 0.000 -0.054 0.000 3/28800 120.0 1.395 1.571 1.703 0.000 -0.048 0.000 3/28800 130.0 1.313 1.466 1.583 0.000 -0.043 0.000 3/28800 140.0 1.242 1.377 1.481 0.000 -0.039 0.000 3/28800 150.0 1.181 1.299 1.393 0.000 -0.036 0.000 3/28800 160.0 1.127 1.231 1.315 0.000 -0.033 0.000 3/28800 170.0 1.079 1.170 1.246 0.000 -0.031 0.000 3/28800 180.0 1.035 1.115 1.185 0.000 -0.029 0.000 3/28800 190.0 0.995 1.066 1.130 0.000 -0.027 0.000 3/28800 200.0 0.958 1.021 1.079 0.000 -0.025 0.000 3/28800 210.0 0.924 0.980 1.034 0.000 -0.024 0.000 3/28800 220.0 0.892 0.942 0.992 0.000 -0.023 0.000 3/28800 230.0 0.862 0.907 0.953 0.000 -0.022 0.000 3/28800 240.0 0.835 0.875 0.918 0.000 -0.021 0.000 3/28800 250.0 0.808 0.845 0.885 0.000 -0.020 0.000 3/28800 260.0 0.784 0.817 0.854 0.000 -0.019 0.000 3/28800 270.0 0.761 0.790 0.825 0.000 -0.018 0.000 3/28800 280.0 0.739 0.766 0.799 0.000 -0.017 0.000 3/28800 290.0 0.718 0.742 0.773 0.000 -0.017 0.000 3/28800 300.0 0.698 0.720 0.750 0.000 -0.016 0.000 3/28800 310.0 0.680 0.700 0.728 0.000 -0.016 0.000 3/28800 320.0 0.662 0.680 0.707 0.000 -0.015 0.000 3/28800 330.0 0.645 0.662 0.687 0.000 -0.015 0.000 3/28800 340.0 0.629 0.644 0.668 0.000 -0.014 0.000 3/28800 350.0 0.613 0.627 0.650 0.000 -0.014 0.000 3/28800 360.0 0.599 0.612 0.634 0.000 -0.013 0.000 3/28800 370.0 0.585 0.597 0.618 0.000 -0.013 0.000 3/28800 380.0 0.571 0.582 0.602 0.000 -0.013 0.000 3/28800 390.0 0.558 0.568 0.588 0.000 -0.012 0.000 3/28800 400.0 0.546 0.555 0.574 0.000 -0.012 0.000 3/28800 410.0 0.534 0.543 0.561 0.000 -0.012 0.000 3/28800 420.0 0.523 0.531 0.548 0.000 -0.011 0.000 3/28800 430.0 0.512 0.519 0.536 0.000 -0.011 0.000 3/28800 440.0 0.501 0.508 0.524 0.000 -0.011 0.000 3/28800 450.0 0.491 0.498 0.513 0.000 -0.011 0.000 3/28800 460.0 0.482 0.488 0.503 0.000 -0.010 0.000 3/28800 470.0 0.472 0.478 0.492 0.000 -0.010 0.000 3/28800 480.0 0.463 0.468 0.483 0.000 -0.010 0.000 3/28800 490.0 0.455 0.459 0.473 0.000 -0.010 0.000 3/28800 500.0 0.446 0.451 0.464 0.000 -0.009 0.000 3/28800 510.0 0.438 0.442 0.455 0.000 -0.009 0.000 3/28800 520.0 0.431 0.434 0.447 0.000 -0.009 0.000 3/28800 530.0 0.423 0.427 0.439 0.000 -0.009 0.000 3/28800 540.0 0.416 0.419 0.431 0.000 -0.009 0.000 3/28800 550.0 0.409 0.412 0.423 0.000 -0.009 0.000 3/28800 560.0 0.402 0.405 0.416 0.000 -0.008 0.000 3/28800 570.0 0.395 0.398 0.409 0.000 -0.008 0.000 3/28800 580.0 0.389 0.391 0.402 0.000 -0.008 0.000 3/28800 590.0 0.383 0.385 0.396 0.000 -0.008 0.000 3/28800 600.0 0.377 0.379 0.389 0.000 -0.008 0.000 3/28800 610.0 0.371 0.373 0.383 0.000 -0.008 0.000 3/28800 620.0 0.365 0.367 0.377 0.000 -0.008 0.000 3/28800 630.0 0.360 0.361 0.371 0.000 -0.007 0.000 3/28800 640.0 0.354 0.356 0.366 0.000 -0.007 0.000 3/28800 650.0 0.349 0.351 0.360 0.000 -0.007 0.000 3/28800 660.0 0.344 0.346 0.355 0.000 -0.007 0.000 3/28800 670.0 0.339 0.341 0.350 0.000 -0.007 0.000 3/28800 680.0 0.335 0.336 0.345 0.000 -0.007 0.000 3/28800 690.0 0.330 0.331 0.340 0.000 -0.007 0.000 3/28800 700.0 0.325 0.326 0.335 0.000 -0.007 0.000 3/28800 710.0 0.321 0.322 0.330 0.000 -0.007 0.000 3/28800 720.0 0.317 0.318 0.326 0.000 -0.007 0.000 3/28800 730.0 0.313 0.313 0.322 0.000 -0.006 0.000 3/28800 740.0 0.309 0.309 0.317 0.000 -0.006 0.000 3/28800 750.0 0.305 0.305 0.313 0.000 -0.006 0.000 3/28800 760.0 0.301 0.301 0.309 0.000 -0.006 0.000 3/28800 770.0 0.297 0.298 0.305 0.000 -0.006 0.000 3/28800 780.0 0.293 0.294 0.301 0.000 -0.006 0.000 3/28800 790.0 0.290 0.290 0.298 0.000 -0.006 0.000 3/28800 800.0 0.286 0.287 0.294 0.000 -0.006 0.000 3/28800 810.0 0.283 0.283 0.290 0.000 -0.006 0.000 3/28800 820.0 0.279 0.280 0.287 0.000 -0.006 0.000 3/28800 830.0 0.276 0.277 0.283 0.000 -0.006 0.000 3/28800 840.0 0.273 0.273 0.280 0.000 -0.006 0.000 3/28800 850.0 0.270 0.270 0.277 0.000 -0.006 0.000 3/28800 860.0 0.267 0.267 0.274 0.000 -0.005 0.000 3/28800 870.0 0.264 0.264 0.271 0.000 -0.005 0.000 3/28800 880.0 0.261 0.261 0.268 0.000 -0.005 0.000 3/28800 890.0 0.258 0.258 0.265 0.000 -0.005 0.000 3/28800 900.0 0.255 0.255 0.262 0.000 -0.005 0.000 3/28800 910.0 0.253 0.253 0.259 0.000 -0.005 0.000 3/28800 920.0 0.250 0.250 0.256 0.000 -0.005 0.000 3/28800 930.0 0.247 0.247 0.253 0.000 -0.005 0.000 3/28800 940.0 0.245 0.245 0.251 0.000 -0.005 0.000 3/28800 950.0 0.242 0.242 0.248 0.000 -0.005 0.000 3/28800 960.0 0.240 0.240 0.246 0.000 -0.005 0.000 3/28800 970.0 0.237 0.237 0.243 0.000 -0.005 0.000 3/28800 980.0 0.235 0.235 0.241 0.000 -0.005 0.000 3/28800 990.0 0.233 0.233 0.238 0.000 -0.005 0.000 3/28800 1000.0 0.230 0.230 0.236 0.000 -0.005 0.000 3/28800 Thermal conductivity related properties were written into "kappa-m1086.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:47:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|