----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:25:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.194343613067242 0.000000000000000 0.000000000000000 b 0.000000000000000 10.294572820000001 0.000000000000000 c -1.797029946362678 0.000000000000000 6.585303678242642 Atomic positions (fractional): *1 Ge 0.82093631581091 0.79591124089460 0.49135975653960 72.640 2 Ge 0.82093631581091 0.70408875910540 0.99135975653960 72.640 3 Ge 0.17906368418908 0.20408875910540 0.50864024346040 72.640 4 Ge 0.17906368418908 0.29591124089460 0.00864024346040 72.640 *5 Pb 0.63920526023169 0.41607514654207 0.27824531295134 207.200 6 Pb 0.63920526023169 0.08392485345793 0.77824531295134 207.200 7 Pb 0.36079473976831 0.91607514654207 0.22175468704866 207.200 8 Pb 0.36079473976831 0.58392485345793 0.72175468704866 207.200 *9 S 0.73104472355240 0.50291570693021 0.91082707119085 32.065 *10 S 0.98149330778880 0.21686458759680 0.18928380810692 32.065 *11 S 0.55749250640844 0.82225817288571 0.91375731714032 32.065 12 S 0.55749250640844 0.67774182711429 0.41375731714032 32.065 13 S 0.73104472355240 0.99708429306979 0.41082707119085 32.065 14 S 0.98149330778880 0.28313541240320 0.68928380810692 32.065 15 S 0.26895527644760 0.49708429306979 0.08917292880915 32.065 16 S 0.01850669221120 0.71686458759680 0.31071619189308 32.065 17 S 0.44250749359156 0.32225817288571 0.58624268285968 32.065 18 S 0.44250749359156 0.17774182711429 0.08624268285968 32.065 19 S 0.26895527644760 0.00291570693021 0.58917292880915 32.065 20 S 0.01850669221120 0.78313541240320 0.81071619189308 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.194343613067242 0.000000000000000 0.000000000000000 b 0.000000000000000 10.294572820000001 0.000000000000000 c -1.797029946362678 0.000000000000000 6.585303678242642 Atomic positions (fractional): *1 Ge 0.82093631581091 0.79591124089460 0.49135975653960 72.640 > 1 2 Ge 0.82093631581091 0.70408875910540 0.99135975653960 72.640 > 2 3 Ge 0.17906368418908 0.20408875910540 0.50864024346040 72.640 > 3 4 Ge 0.17906368418908 0.29591124089460 0.00864024346040 72.640 > 4 *5 Pb 0.63920526023169 0.41607514654207 0.27824531295134 207.200 > 5 6 Pb 0.63920526023169 0.08392485345793 0.77824531295134 207.200 > 6 7 Pb 0.36079473976831 0.91607514654207 0.22175468704866 207.200 > 7 8 Pb 0.36079473976831 0.58392485345793 0.72175468704866 207.200 > 8 *9 S 0.73104472355240 0.50291570693021 0.91082707119085 32.065 > 9 *10 S 0.98149330778880 0.21686458759680 0.18928380810692 32.065 > 10 *11 S 0.55749250640844 0.82225817288571 0.91375731714032 32.065 > 11 12 S 0.55749250640844 0.67774182711429 0.41375731714032 32.065 > 12 13 S 0.73104472355240 0.99708429306979 0.41082707119085 32.065 > 13 14 S 0.98149330778880 0.28313541240320 0.68928380810692 32.065 > 14 15 S 0.26895527644760 0.49708429306979 0.08917292880915 32.065 > 15 16 S 0.01850669221120 0.71686458759680 0.31071619189308 32.065 > 16 17 S 0.44250749359156 0.32225817288571 0.58624268285968 32.065 > 17 18 S 0.44250749359156 0.17774182711429 0.08624268285968 32.065 > 18 19 S 0.26895527644760 0.00291570693021 0.58917292880915 32.065 > 19 20 S 0.01850669221120 0.78313541240320 0.81071619189308 32.065 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.388687226134484 0.000000000000000 0.000000000000000 b 0.000000000000000 10.294572820000001 0.000000000000000 c -3.594059892725356 0.000000000000000 13.170607356485284 Atomic positions (fractional): *1 Ge 0.41046815790546 0.79591124089460 0.24567987826980 72.640 > 1 2 Ge 0.91046815790546 0.79591124089460 0.24567987826980 72.640 > 1 3 Ge 0.41046815790546 0.79591124089460 0.74567987826980 72.640 > 1 4 Ge 0.91046815790546 0.79591124089460 0.74567987826980 72.640 > 1 5 Ge 0.41046815790546 0.70408875910540 0.49567987826980 72.640 > 2 6 Ge 0.91046815790546 0.70408875910540 0.49567987826980 72.640 > 2 7 Ge 0.41046815790546 0.70408875910540 0.99567987826980 72.640 > 2 8 Ge 0.91046815790546 0.70408875910540 0.99567987826980 72.640 > 2 9 Ge 0.08953184209454 0.20408875910540 0.25432012173020 72.640 > 3 10 Ge 0.58953184209454 0.20408875910540 0.25432012173020 72.640 > 3 11 Ge 0.08953184209454 0.20408875910540 0.75432012173020 72.640 > 3 12 Ge 0.58953184209454 0.20408875910540 0.75432012173020 72.640 > 3 13 Ge 0.08953184209454 0.29591124089460 0.00432012173020 72.640 > 4 14 Ge 0.58953184209454 0.29591124089460 0.00432012173020 72.640 > 4 15 Ge 0.08953184209454 0.29591124089460 0.50432012173020 72.640 > 4 16 Ge 0.58953184209454 0.29591124089460 0.50432012173020 72.640 > 4 *17 Pb 0.31960263011585 0.41607514654207 0.13912265647567 207.200 > 5 18 Pb 0.81960263011585 0.41607514654207 0.13912265647567 207.200 > 5 19 Pb 0.31960263011585 0.41607514654207 0.63912265647567 207.200 > 5 20 Pb 0.81960263011585 0.41607514654207 0.63912265647567 207.200 > 5 21 Pb 0.31960263011585 0.08392485345793 0.38912265647567 207.200 > 6 22 Pb 0.81960263011585 0.08392485345793 0.38912265647567 207.200 > 6 23 Pb 0.31960263011585 0.08392485345793 0.88912265647567 207.200 > 6 24 Pb 0.81960263011585 0.08392485345793 0.88912265647567 207.200 > 6 25 Pb 0.18039736988415 0.91607514654207 0.11087734352433 207.200 > 7 26 Pb 0.68039736988415 0.91607514654207 0.11087734352433 207.200 > 7 27 Pb 0.18039736988415 0.91607514654207 0.61087734352433 207.200 > 7 28 Pb 0.68039736988415 0.91607514654207 0.61087734352433 207.200 > 7 29 Pb 0.18039736988415 0.58392485345793 0.36087734352433 207.200 > 8 30 Pb 0.68039736988415 0.58392485345793 0.36087734352433 207.200 > 8 31 Pb 0.18039736988415 0.58392485345793 0.86087734352433 207.200 > 8 32 Pb 0.68039736988415 0.58392485345793 0.86087734352433 207.200 > 8 *33 S 0.36552236177620 0.50291570693021 0.45541353559543 32.065 > 9 34 S 0.86552236177620 0.50291570693021 0.45541353559543 32.065 > 9 35 S 0.36552236177620 0.50291570693021 0.95541353559543 32.065 > 9 36 S 0.86552236177620 0.50291570693021 0.95541353559543 32.065 > 9 *37 S 0.49074665389440 0.21686458759680 0.09464190405346 32.065 > 10 38 S 0.99074665389440 0.21686458759680 0.09464190405346 32.065 > 10 39 S 0.49074665389440 0.21686458759680 0.59464190405346 32.065 > 10 40 S 0.99074665389440 0.21686458759680 0.59464190405346 32.065 > 10 *41 S 0.27874625320422 0.82225817288571 0.45687865857016 32.065 > 11 42 S 0.77874625320422 0.82225817288571 0.45687865857016 32.065 > 11 43 S 0.27874625320422 0.82225817288571 0.95687865857016 32.065 > 11 44 S 0.77874625320422 0.82225817288571 0.95687865857016 32.065 > 11 45 S 0.27874625320422 0.67774182711429 0.20687865857016 32.065 > 12 46 S 0.77874625320422 0.67774182711429 0.20687865857016 32.065 > 12 47 S 0.27874625320422 0.67774182711429 0.70687865857016 32.065 > 12 48 S 0.77874625320422 0.67774182711429 0.70687865857016 32.065 > 12 49 S 0.36552236177620 0.99708429306979 0.20541353559543 32.065 > 13 50 S 0.86552236177620 0.99708429306979 0.20541353559543 32.065 > 13 51 S 0.36552236177620 0.99708429306979 0.70541353559543 32.065 > 13 52 S 0.86552236177620 0.99708429306979 0.70541353559543 32.065 > 13 53 S 0.49074665389440 0.28313541240320 0.34464190405346 32.065 > 14 54 S 0.99074665389440 0.28313541240320 0.34464190405346 32.065 > 14 55 S 0.49074665389440 0.28313541240320 0.84464190405346 32.065 > 14 56 S 0.99074665389440 0.28313541240320 0.84464190405346 32.065 > 14 57 S 0.13447763822380 0.49708429306979 0.04458646440457 32.065 > 15 58 S 0.63447763822380 0.49708429306979 0.04458646440457 32.065 > 15 59 S 0.13447763822380 0.49708429306979 0.54458646440457 32.065 > 15 60 S 0.63447763822380 0.49708429306979 0.54458646440457 32.065 > 15 61 S 0.00925334610560 0.71686458759680 0.15535809594654 32.065 > 16 62 S 0.50925334610560 0.71686458759680 0.15535809594654 32.065 > 16 63 S 0.00925334610560 0.71686458759680 0.65535809594654 32.065 > 16 64 S 0.50925334610560 0.71686458759680 0.65535809594654 32.065 > 16 65 S 0.22125374679578 0.32225817288571 0.29312134142984 32.065 > 17 66 S 0.72125374679578 0.32225817288571 0.29312134142984 32.065 > 17 67 S 0.22125374679578 0.32225817288571 0.79312134142984 32.065 > 17 68 S 0.72125374679578 0.32225817288571 0.79312134142984 32.065 > 17 69 S 0.22125374679578 0.17774182711429 0.04312134142984 32.065 > 18 70 S 0.72125374679578 0.17774182711429 0.04312134142984 32.065 > 18 71 S 0.22125374679578 0.17774182711429 0.54312134142984 32.065 > 18 72 S 0.72125374679578 0.17774182711429 0.54312134142984 32.065 > 18 73 S 0.13447763822380 0.00291570693021 0.29458646440457 32.065 > 19 74 S 0.63447763822380 0.00291570693021 0.29458646440457 32.065 > 19 75 S 0.13447763822380 0.00291570693021 0.79458646440457 32.065 > 19 76 S 0.63447763822380 0.00291570693021 0.79458646440457 32.065 > 19 77 S 0.00925334610560 0.78313541240320 0.40535809594654 32.065 > 20 78 S 0.50925334610560 0.78313541240320 0.40535809594654 32.065 > 20 79 S 0.00925334610560 0.78313541240320 0.90535809594654 32.065 > 20 80 S 0.50925334610560 0.78313541240320 0.90535809594654 32.065 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.5781946 0.0000000 -0.1343316 0.0000000 8.4228004 0.0000000 -0.1343219 0.0000000 8.1236242 -------------------------- Born effective charges -------------------------- 1 Ge 2.8806604 -0.6737977 0.2224138 0.1190515 2.6948628 -0.1860523 -0.1229860 0.2561884 3.0211959 2 Ge 2.8806604 0.6737977 0.2224138 -0.1190515 2.6948628 0.1860523 -0.1229860 -0.2561884 3.0211959 3 Ge 2.8806604 -0.6737977 0.2224138 0.1190515 2.6948628 -0.1860523 -0.1229860 0.2561884 3.0211959 4 Ge 2.8806604 0.6737977 0.2224138 -0.1190515 2.6948628 0.1860523 -0.1229860 -0.2561884 3.0211959 5 Pb 3.1588086 -0.0693457 -0.4377651 0.5189946 4.0241756 -0.1639167 -0.3023425 -0.0516122 3.2758854 6 Pb 3.1588086 0.0693457 -0.4377651 -0.5189946 4.0241756 0.1639167 -0.3023425 0.0516122 3.2758854 7 Pb 3.1588086 0.0693457 -0.4377651 -0.5189946 4.0241756 0.1639167 -0.3023425 0.0516122 3.2758854 8 Pb 3.1588086 -0.0693457 -0.4377651 0.5189946 4.0241756 -0.1639167 -0.3023425 -0.0516122 3.2758854 9 S -2.0037617 -0.3402653 0.0080509 -0.1603557 -2.4243976 0.4930920 -0.1178605 0.4892834 -1.9554933 10 S -1.9987409 0.1632444 0.1046582 0.2258326 -0.8737223 0.3118768 0.1911312 0.3999837 -2.7555317 11 S -2.0369664 0.4135046 0.1026422 0.0488397 -3.4209184 -0.3763695 0.3520579 -0.2720440 -1.5860563 12 S -2.0369664 -0.4135046 0.1026422 -0.0488397 -3.4209184 0.3763695 0.3520579 0.2720440 -1.5860563 13 S -2.0037617 0.3402653 0.0080509 0.1603557 -2.4243976 -0.4930920 -0.1178605 -0.4892834 -1.9554933 14 S -1.9987409 -0.1632444 0.1046582 -0.2258326 -0.8737223 -0.3118768 0.1911312 -0.3999837 -2.7555317 15 S -2.0037617 -0.3402653 0.0080509 -0.1603557 -2.4243976 0.4930920 -0.1178605 0.4892834 -1.9554933 16 S -1.9987409 -0.1632444 0.1046582 -0.2258326 -0.8737223 -0.3118768 0.1911312 -0.3999837 -2.7555317 17 S -2.0369664 -0.4135046 0.1026422 -0.0488397 -3.4209184 0.3763695 0.3520579 0.2720440 -1.5860563 18 S -2.0369664 0.4135046 0.1026422 0.0488397 -3.4209184 -0.3763695 0.3520579 -0.2720440 -1.5860563 19 S -2.0037617 0.3402653 0.0080509 0.1603557 -2.4243976 -0.4930920 -0.1178605 -0.4892834 -1.9554933 20 S -1.9987409 0.1632444 0.1046582 0.2258326 -0.8737223 0.3118768 0.1911312 0.3999837 -2.7555317 ---------------------------------------------------------------------------- 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: 1890 Number of blocks in projector: 1890 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 390), data: True |-- (400, 390), data: True |-- (400, 391), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.147 Solver_block: 200 / 640 - Time: 2.149 Solver_block: 300 / 640 - Time: 2.142 Solver_block: 400 / 640 - Time: 2.145 Solver_block: 500 / 640 - Time: 2.145 Solver_block: 600 / 640 - Time: 2.143 Solver_block: 640 / 640 - Time: 0.927 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.845 --------------------------------- 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: 1890 Number of blocks in projector: 1890 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 390), data: True |-- (400, 390), data: True |-- (400, 391), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 20:25:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:25:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.194343613067242 0.000000000000000 0.000000000000000 b 0.000000000000000 10.294572820000001 0.000000000000000 c -1.797029946362678 0.000000000000000 6.585303678242642 Atomic positions (fractional): 1 Ge 0.82093631581091 0.79591124089460 0.49135975653960 72.640 2 Ge 0.82093631581091 0.70408875910540 0.99135975653960 72.640 3 Ge 0.17906368418908 0.20408875910540 0.50864024346040 72.640 4 Ge 0.17906368418908 0.29591124089460 0.00864024346040 72.640 5 Pb 0.63920526023169 0.41607514654207 0.27824531295134 207.200 6 Pb 0.63920526023169 0.08392485345793 0.77824531295134 207.200 7 Pb 0.36079473976831 0.91607514654207 0.22175468704866 207.200 8 Pb 0.36079473976831 0.58392485345793 0.72175468704866 207.200 9 S 0.73104472355240 0.50291570693021 0.91082707119085 32.065 10 S 0.98149330778880 0.21686458759680 0.18928380810692 32.065 11 S 0.55749250640844 0.82225817288571 0.91375731714032 32.065 12 S 0.55749250640844 0.67774182711429 0.41375731714032 32.065 13 S 0.73104472355240 0.99708429306979 0.41082707119085 32.065 14 S 0.98149330778880 0.28313541240320 0.68928380810692 32.065 15 S 0.26895527644760 0.49708429306979 0.08917292880915 32.065 16 S 0.01850669221120 0.71686458759680 0.31071619189308 32.065 17 S 0.44250749359156 0.32225817288571 0.58624268285968 32.065 18 S 0.44250749359156 0.17774182711429 0.08624268285968 32.065 19 S 0.26895527644760 0.00291570693021 0.58917292880915 32.065 20 S 0.01850669221120 0.78313541240320 0.81071619189308 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.388687226134484 0.000000000000000 0.000000000000000 b 0.000000000000000 10.294572820000001 0.000000000000000 c -3.594059892725356 0.000000000000000 13.170607356485284 Atomic positions (fractional): 1 Ge 0.41046815790546 0.79591124089460 0.24567987826980 72.640 > 1 2 Ge 0.91046815790546 0.79591124089460 0.24567987826980 72.640 > 1 3 Ge 0.41046815790546 0.79591124089460 0.74567987826980 72.640 > 1 4 Ge 0.91046815790546 0.79591124089460 0.74567987826980 72.640 > 1 5 Ge 0.41046815790546 0.70408875910540 0.49567987826980 72.640 > 5 6 Ge 0.91046815790546 0.70408875910540 0.49567987826980 72.640 > 5 7 Ge 0.41046815790546 0.70408875910540 0.99567987826980 72.640 > 5 8 Ge 0.91046815790546 0.70408875910540 0.99567987826980 72.640 > 5 9 Ge 0.08953184209454 0.20408875910540 0.25432012173020 72.640 > 9 10 Ge 0.58953184209454 0.20408875910540 0.25432012173020 72.640 > 9 11 Ge 0.08953184209454 0.20408875910540 0.75432012173020 72.640 > 9 12 Ge 0.58953184209454 0.20408875910540 0.75432012173020 72.640 > 9 13 Ge 0.08953184209454 0.29591124089460 0.00432012173020 72.640 > 13 14 Ge 0.58953184209454 0.29591124089460 0.00432012173020 72.640 > 13 15 Ge 0.08953184209454 0.29591124089460 0.50432012173020 72.640 > 13 16 Ge 0.58953184209454 0.29591124089460 0.50432012173020 72.640 > 13 17 Pb 0.31960263011585 0.41607514654207 0.13912265647567 207.200 > 17 18 Pb 0.81960263011585 0.41607514654207 0.13912265647567 207.200 > 17 19 Pb 0.31960263011585 0.41607514654207 0.63912265647567 207.200 > 17 20 Pb 0.81960263011585 0.41607514654207 0.63912265647567 207.200 > 17 21 Pb 0.31960263011585 0.08392485345793 0.38912265647567 207.200 > 21 22 Pb 0.81960263011585 0.08392485345793 0.38912265647567 207.200 > 21 23 Pb 0.31960263011585 0.08392485345793 0.88912265647567 207.200 > 21 24 Pb 0.81960263011585 0.08392485345793 0.88912265647567 207.200 > 21 25 Pb 0.18039736988415 0.91607514654207 0.11087734352433 207.200 > 25 26 Pb 0.68039736988415 0.91607514654207 0.11087734352433 207.200 > 25 27 Pb 0.18039736988415 0.91607514654207 0.61087734352433 207.200 > 25 28 Pb 0.68039736988415 0.91607514654207 0.61087734352433 207.200 > 25 29 Pb 0.18039736988415 0.58392485345793 0.36087734352433 207.200 > 29 30 Pb 0.68039736988415 0.58392485345793 0.36087734352433 207.200 > 29 31 Pb 0.18039736988415 0.58392485345793 0.86087734352433 207.200 > 29 32 Pb 0.68039736988415 0.58392485345793 0.86087734352433 207.200 > 29 33 S 0.36552236177620 0.50291570693021 0.45541353559543 32.065 > 33 34 S 0.86552236177620 0.50291570693021 0.45541353559543 32.065 > 33 35 S 0.36552236177620 0.50291570693021 0.95541353559543 32.065 > 33 36 S 0.86552236177620 0.50291570693021 0.95541353559543 32.065 > 33 37 S 0.49074665389440 0.21686458759680 0.09464190405346 32.065 > 37 38 S 0.99074665389440 0.21686458759680 0.09464190405346 32.065 > 37 39 S 0.49074665389440 0.21686458759680 0.59464190405346 32.065 > 37 40 S 0.99074665389440 0.21686458759680 0.59464190405346 32.065 > 37 41 S 0.27874625320422 0.82225817288571 0.45687865857016 32.065 > 41 42 S 0.77874625320422 0.82225817288571 0.45687865857016 32.065 > 41 43 S 0.27874625320422 0.82225817288571 0.95687865857016 32.065 > 41 44 S 0.77874625320422 0.82225817288571 0.95687865857016 32.065 > 41 45 S 0.27874625320422 0.67774182711429 0.20687865857016 32.065 > 45 46 S 0.77874625320422 0.67774182711429 0.20687865857016 32.065 > 45 47 S 0.27874625320422 0.67774182711429 0.70687865857016 32.065 > 45 48 S 0.77874625320422 0.67774182711429 0.70687865857016 32.065 > 45 49 S 0.36552236177620 0.99708429306979 0.20541353559543 32.065 > 49 50 S 0.86552236177620 0.99708429306979 0.20541353559543 32.065 > 49 51 S 0.36552236177620 0.99708429306979 0.70541353559543 32.065 > 49 52 S 0.86552236177620 0.99708429306979 0.70541353559543 32.065 > 49 53 S 0.49074665389440 0.28313541240320 0.34464190405346 32.065 > 53 54 S 0.99074665389440 0.28313541240320 0.34464190405346 32.065 > 53 55 S 0.49074665389440 0.28313541240320 0.84464190405346 32.065 > 53 56 S 0.99074665389440 0.28313541240320 0.84464190405346 32.065 > 53 57 S 0.13447763822380 0.49708429306979 0.04458646440457 32.065 > 57 58 S 0.63447763822380 0.49708429306979 0.04458646440457 32.065 > 57 59 S 0.13447763822380 0.49708429306979 0.54458646440457 32.065 > 57 60 S 0.63447763822380 0.49708429306979 0.54458646440457 32.065 > 57 61 S 0.00925334610560 0.71686458759680 0.15535809594654 32.065 > 61 62 S 0.50925334610560 0.71686458759680 0.15535809594654 32.065 > 61 63 S 0.00925334610560 0.71686458759680 0.65535809594654 32.065 > 61 64 S 0.50925334610560 0.71686458759680 0.65535809594654 32.065 > 61 65 S 0.22125374679578 0.32225817288571 0.29312134142984 32.065 > 65 66 S 0.72125374679578 0.32225817288571 0.29312134142984 32.065 > 65 67 S 0.22125374679578 0.32225817288571 0.79312134142984 32.065 > 65 68 S 0.72125374679578 0.32225817288571 0.79312134142984 32.065 > 65 69 S 0.22125374679578 0.17774182711429 0.04312134142984 32.065 > 69 70 S 0.72125374679578 0.17774182711429 0.04312134142984 32.065 > 69 71 S 0.22125374679578 0.17774182711429 0.54312134142984 32.065 > 69 72 S 0.72125374679578 0.17774182711429 0.54312134142984 32.065 > 69 73 S 0.13447763822380 0.00291570693021 0.29458646440457 32.065 > 73 74 S 0.63447763822380 0.00291570693021 0.29458646440457 32.065 > 73 75 S 0.13447763822380 0.00291570693021 0.79458646440457 32.065 > 73 76 S 0.63447763822380 0.00291570693021 0.79458646440457 32.065 > 73 77 S 0.00925334610560 0.78313541240320 0.40535809594654 32.065 > 77 78 S 0.50925334610560 0.78313541240320 0.40535809594654 32.065 > 77 79 S 0.00925334610560 0.78313541240320 0.90535809594654 32.065 > 77 80 S 0.50925334610560 0.78313541240320 0.90535809594654 32.065 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.5781946 0.0000000 -0.1343316 0.0000000 8.4228004 0.0000000 -0.1343219 0.0000000 8.1236242 -------------------------- Born effective charges -------------------------- 1 Ge 2.8806604 -0.6737977 0.2224138 0.1190515 2.6948628 -0.1860523 -0.1229860 0.2561884 3.0211959 2 Ge 2.8806604 0.6737977 0.2224138 -0.1190515 2.6948628 0.1860523 -0.1229860 -0.2561884 3.0211959 3 Ge 2.8806604 -0.6737977 0.2224138 0.1190515 2.6948628 -0.1860523 -0.1229860 0.2561884 3.0211959 4 Ge 2.8806604 0.6737977 0.2224138 -0.1190515 2.6948628 0.1860523 -0.1229860 -0.2561884 3.0211959 5 Pb 3.1588086 -0.0693457 -0.4377651 0.5189946 4.0241756 -0.1639167 -0.3023425 -0.0516122 3.2758854 6 Pb 3.1588086 0.0693457 -0.4377651 -0.5189946 4.0241756 0.1639167 -0.3023425 0.0516122 3.2758854 7 Pb 3.1588086 0.0693457 -0.4377651 -0.5189946 4.0241756 0.1639167 -0.3023425 0.0516122 3.2758854 8 Pb 3.1588086 -0.0693457 -0.4377651 0.5189946 4.0241756 -0.1639167 -0.3023425 -0.0516122 3.2758854 9 S -2.0037617 -0.3402653 0.0080509 -0.1603557 -2.4243976 0.4930920 -0.1178605 0.4892834 -1.9554933 10 S -1.9987409 0.1632444 0.1046582 0.2258326 -0.8737223 0.3118768 0.1911312 0.3999837 -2.7555317 11 S -2.0369664 0.4135046 0.1026422 0.0488397 -3.4209184 -0.3763695 0.3520579 -0.2720440 -1.5860563 12 S -2.0369664 -0.4135046 0.1026422 -0.0488397 -3.4209184 0.3763695 0.3520579 0.2720440 -1.5860563 13 S -2.0037617 0.3402653 0.0080509 0.1603557 -2.4243976 -0.4930920 -0.1178605 -0.4892834 -1.9554933 14 S -1.9987409 -0.1632444 0.1046582 -0.2258326 -0.8737223 -0.3118768 0.1911312 -0.3999837 -2.7555317 15 S -2.0037617 -0.3402653 0.0080509 -0.1603557 -2.4243976 0.4930920 -0.1178605 0.4892834 -1.9554933 16 S -1.9987409 -0.1632444 0.1046582 -0.2258326 -0.8737223 -0.3118768 0.1911312 -0.3999837 -2.7555317 17 S -2.0369664 -0.4135046 0.1026422 -0.0488397 -3.4209184 0.3763695 0.3520579 0.2720440 -1.5860563 18 S -2.0369664 0.4135046 0.1026422 0.0488397 -3.4209184 -0.3763695 0.3520579 -0.2720440 -1.5860563 19 S -2.0037617 0.3402653 0.0080509 0.1603557 -2.4243976 -0.4930920 -0.1178605 -0.4892834 -1.9554933 20 S -1.9987409 0.1632444 0.1046582 0.2258326 -0.8737223 0.3118768 0.1911312 0.3999837 -2.7555317 ---------------------------------------------------------------------------- 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] [-0.0026 0.0000 0.0096] [ 0.0026 0.0000 -0.0096] 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] [-0.0026 0.0000 0.0096] [ 0.0026 0.0000 -0.0096] 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] [-0.0026 0.0000 0.0096] [ 0.0026 0.0000 -0.0096] Computing fc3[ 37, 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] [-0.0026 0.0000 0.0096] [ 0.0026 0.0000 -0.0096] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0096] [ 0.0026 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (zy) -0.00000002 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:26:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:26:07]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.194343613067242 0.000000000000000 0.000000000000000 b 0.000000000000000 10.294572820000001 0.000000000000000 c -1.797029946362678 0.000000000000000 6.585303678242642 Atomic positions (fractional): 1 Ge 0.82093631581091 0.79591124089460 0.49135975653960 72.640 2 Ge 0.82093631581091 0.70408875910540 0.99135975653960 72.640 3 Ge 0.17906368418908 0.20408875910540 0.50864024346040 72.640 4 Ge 0.17906368418908 0.29591124089460 0.00864024346040 72.640 5 Pb 0.63920526023169 0.41607514654207 0.27824531295134 207.200 6 Pb 0.63920526023169 0.08392485345793 0.77824531295134 207.200 7 Pb 0.36079473976831 0.91607514654207 0.22175468704866 207.200 8 Pb 0.36079473976831 0.58392485345793 0.72175468704866 207.200 9 S 0.73104472355240 0.50291570693021 0.91082707119085 32.065 10 S 0.98149330778880 0.21686458759680 0.18928380810692 32.065 11 S 0.55749250640844 0.82225817288571 0.91375731714032 32.065 12 S 0.55749250640844 0.67774182711429 0.41375731714032 32.065 13 S 0.73104472355240 0.99708429306979 0.41082707119085 32.065 14 S 0.98149330778880 0.28313541240320 0.68928380810692 32.065 15 S 0.26895527644760 0.49708429306979 0.08917292880915 32.065 16 S 0.01850669221120 0.71686458759680 0.31071619189308 32.065 17 S 0.44250749359156 0.32225817288571 0.58624268285968 32.065 18 S 0.44250749359156 0.17774182711429 0.08624268285968 32.065 19 S 0.26895527644760 0.00291570693021 0.58917292880915 32.065 20 S 0.01850669221120 0.78313541240320 0.81071619189308 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.388687226134484 0.000000000000000 0.000000000000000 b 0.000000000000000 10.294572820000001 0.000000000000000 c -3.594059892725356 0.000000000000000 13.170607356485284 Atomic positions (fractional): 1 Ge 0.41046815790546 0.79591124089460 0.24567987826980 72.640 > 1 2 Ge 0.91046815790546 0.79591124089460 0.24567987826980 72.640 > 1 3 Ge 0.41046815790546 0.79591124089460 0.74567987826980 72.640 > 1 4 Ge 0.91046815790546 0.79591124089460 0.74567987826980 72.640 > 1 5 Ge 0.41046815790546 0.70408875910540 0.49567987826980 72.640 > 5 6 Ge 0.91046815790546 0.70408875910540 0.49567987826980 72.640 > 5 7 Ge 0.41046815790546 0.70408875910540 0.99567987826980 72.640 > 5 8 Ge 0.91046815790546 0.70408875910540 0.99567987826980 72.640 > 5 9 Ge 0.08953184209454 0.20408875910540 0.25432012173020 72.640 > 9 10 Ge 0.58953184209454 0.20408875910540 0.25432012173020 72.640 > 9 11 Ge 0.08953184209454 0.20408875910540 0.75432012173020 72.640 > 9 12 Ge 0.58953184209454 0.20408875910540 0.75432012173020 72.640 > 9 13 Ge 0.08953184209454 0.29591124089460 0.00432012173020 72.640 > 13 14 Ge 0.58953184209454 0.29591124089460 0.00432012173020 72.640 > 13 15 Ge 0.08953184209454 0.29591124089460 0.50432012173020 72.640 > 13 16 Ge 0.58953184209454 0.29591124089460 0.50432012173020 72.640 > 13 17 Pb 0.31960263011585 0.41607514654207 0.13912265647567 207.200 > 17 18 Pb 0.81960263011585 0.41607514654207 0.13912265647567 207.200 > 17 19 Pb 0.31960263011585 0.41607514654207 0.63912265647567 207.200 > 17 20 Pb 0.81960263011585 0.41607514654207 0.63912265647567 207.200 > 17 21 Pb 0.31960263011585 0.08392485345793 0.38912265647567 207.200 > 21 22 Pb 0.81960263011585 0.08392485345793 0.38912265647567 207.200 > 21 23 Pb 0.31960263011585 0.08392485345793 0.88912265647567 207.200 > 21 24 Pb 0.81960263011585 0.08392485345793 0.88912265647567 207.200 > 21 25 Pb 0.18039736988415 0.91607514654207 0.11087734352433 207.200 > 25 26 Pb 0.68039736988415 0.91607514654207 0.11087734352433 207.200 > 25 27 Pb 0.18039736988415 0.91607514654207 0.61087734352433 207.200 > 25 28 Pb 0.68039736988415 0.91607514654207 0.61087734352433 207.200 > 25 29 Pb 0.18039736988415 0.58392485345793 0.36087734352433 207.200 > 29 30 Pb 0.68039736988415 0.58392485345793 0.36087734352433 207.200 > 29 31 Pb 0.18039736988415 0.58392485345793 0.86087734352433 207.200 > 29 32 Pb 0.68039736988415 0.58392485345793 0.86087734352433 207.200 > 29 33 S 0.36552236177620 0.50291570693021 0.45541353559543 32.065 > 33 34 S 0.86552236177620 0.50291570693021 0.45541353559543 32.065 > 33 35 S 0.36552236177620 0.50291570693021 0.95541353559543 32.065 > 33 36 S 0.86552236177620 0.50291570693021 0.95541353559543 32.065 > 33 37 S 0.49074665389440 0.21686458759680 0.09464190405346 32.065 > 37 38 S 0.99074665389440 0.21686458759680 0.09464190405346 32.065 > 37 39 S 0.49074665389440 0.21686458759680 0.59464190405346 32.065 > 37 40 S 0.99074665389440 0.21686458759680 0.59464190405346 32.065 > 37 41 S 0.27874625320422 0.82225817288571 0.45687865857016 32.065 > 41 42 S 0.77874625320422 0.82225817288571 0.45687865857016 32.065 > 41 43 S 0.27874625320422 0.82225817288571 0.95687865857016 32.065 > 41 44 S 0.77874625320422 0.82225817288571 0.95687865857016 32.065 > 41 45 S 0.27874625320422 0.67774182711429 0.20687865857016 32.065 > 45 46 S 0.77874625320422 0.67774182711429 0.20687865857016 32.065 > 45 47 S 0.27874625320422 0.67774182711429 0.70687865857016 32.065 > 45 48 S 0.77874625320422 0.67774182711429 0.70687865857016 32.065 > 45 49 S 0.36552236177620 0.99708429306979 0.20541353559543 32.065 > 49 50 S 0.86552236177620 0.99708429306979 0.20541353559543 32.065 > 49 51 S 0.36552236177620 0.99708429306979 0.70541353559543 32.065 > 49 52 S 0.86552236177620 0.99708429306979 0.70541353559543 32.065 > 49 53 S 0.49074665389440 0.28313541240320 0.34464190405346 32.065 > 53 54 S 0.99074665389440 0.28313541240320 0.34464190405346 32.065 > 53 55 S 0.49074665389440 0.28313541240320 0.84464190405346 32.065 > 53 56 S 0.99074665389440 0.28313541240320 0.84464190405346 32.065 > 53 57 S 0.13447763822380 0.49708429306979 0.04458646440457 32.065 > 57 58 S 0.63447763822380 0.49708429306979 0.04458646440457 32.065 > 57 59 S 0.13447763822380 0.49708429306979 0.54458646440457 32.065 > 57 60 S 0.63447763822380 0.49708429306979 0.54458646440457 32.065 > 57 61 S 0.00925334610560 0.71686458759680 0.15535809594654 32.065 > 61 62 S 0.50925334610560 0.71686458759680 0.15535809594654 32.065 > 61 63 S 0.00925334610560 0.71686458759680 0.65535809594654 32.065 > 61 64 S 0.50925334610560 0.71686458759680 0.65535809594654 32.065 > 61 65 S 0.22125374679578 0.32225817288571 0.29312134142984 32.065 > 65 66 S 0.72125374679578 0.32225817288571 0.29312134142984 32.065 > 65 67 S 0.22125374679578 0.32225817288571 0.79312134142984 32.065 > 65 68 S 0.72125374679578 0.32225817288571 0.79312134142984 32.065 > 65 69 S 0.22125374679578 0.17774182711429 0.04312134142984 32.065 > 69 70 S 0.72125374679578 0.17774182711429 0.04312134142984 32.065 > 69 71 S 0.22125374679578 0.17774182711429 0.54312134142984 32.065 > 69 72 S 0.72125374679578 0.17774182711429 0.54312134142984 32.065 > 69 73 S 0.13447763822380 0.00291570693021 0.29458646440457 32.065 > 73 74 S 0.63447763822380 0.00291570693021 0.29458646440457 32.065 > 73 75 S 0.13447763822380 0.00291570693021 0.79458646440457 32.065 > 73 76 S 0.63447763822380 0.00291570693021 0.79458646440457 32.065 > 73 77 S 0.00925334610560 0.78313541240320 0.40535809594654 32.065 > 77 78 S 0.50925334610560 0.78313541240320 0.40535809594654 32.065 > 77 79 S 0.00925334610560 0.78313541240320 0.90535809594654 32.065 > 77 80 S 0.50925334610560 0.78313541240320 0.90535809594654 32.065 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.5781946 0.0000000 -0.1343316 0.0000000 8.4228004 0.0000000 -0.1343219 0.0000000 8.1236242 -------------------------- Born effective charges -------------------------- 1 Ge 2.8806604 -0.6737977 0.2224138 0.1190515 2.6948628 -0.1860523 -0.1229860 0.2561884 3.0211959 2 Ge 2.8806604 0.6737977 0.2224138 -0.1190515 2.6948628 0.1860523 -0.1229860 -0.2561884 3.0211959 3 Ge 2.8806604 -0.6737977 0.2224138 0.1190515 2.6948628 -0.1860523 -0.1229860 0.2561884 3.0211959 4 Ge 2.8806604 0.6737977 0.2224138 -0.1190515 2.6948628 0.1860523 -0.1229860 -0.2561884 3.0211959 5 Pb 3.1588086 -0.0693457 -0.4377651 0.5189946 4.0241756 -0.1639167 -0.3023425 -0.0516122 3.2758854 6 Pb 3.1588086 0.0693457 -0.4377651 -0.5189946 4.0241756 0.1639167 -0.3023425 0.0516122 3.2758854 7 Pb 3.1588086 0.0693457 -0.4377651 -0.5189946 4.0241756 0.1639167 -0.3023425 0.0516122 3.2758854 8 Pb 3.1588086 -0.0693457 -0.4377651 0.5189946 4.0241756 -0.1639167 -0.3023425 -0.0516122 3.2758854 9 S -2.0037617 -0.3402653 0.0080509 -0.1603557 -2.4243976 0.4930920 -0.1178605 0.4892834 -1.9554933 10 S -1.9987409 0.1632444 0.1046582 0.2258326 -0.8737223 0.3118768 0.1911312 0.3999837 -2.7555317 11 S -2.0369664 0.4135046 0.1026422 0.0488397 -3.4209184 -0.3763695 0.3520579 -0.2720440 -1.5860563 12 S -2.0369664 -0.4135046 0.1026422 -0.0488397 -3.4209184 0.3763695 0.3520579 0.2720440 -1.5860563 13 S -2.0037617 0.3402653 0.0080509 0.1603557 -2.4243976 -0.4930920 -0.1178605 -0.4892834 -1.9554933 14 S -1.9987409 -0.1632444 0.1046582 -0.2258326 -0.8737223 -0.3118768 0.1911312 -0.3999837 -2.7555317 15 S -2.0037617 -0.3402653 0.0080509 -0.1603557 -2.4243976 0.4930920 -0.1178605 0.4892834 -1.9554933 16 S -1.9987409 -0.1632444 0.1046582 -0.2258326 -0.8737223 -0.3118768 0.1911312 -0.3999837 -2.7555317 17 S -2.0369664 -0.4135046 0.1026422 -0.0488397 -3.4209184 0.3763695 0.3520579 0.2720440 -1.5860563 18 S -2.0369664 0.4135046 0.1026422 0.0488397 -3.4209184 -0.3763695 0.3520579 -0.2720440 -1.5860563 19 S -2.0037617 0.3402653 0.0080509 0.1603557 -2.4243976 -0.4930920 -0.1178605 -0.4892834 -1.9554933 20 S -1.9987409 0.1632444 0.1046582 0.2258326 -0.8737223 0.3118768 0.1911312 0.3999837 -2.7555317 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 5 8 ] 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: 0.53, Number of G-points: 299, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/87) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.026 ( 0.000 0.000 0.000) 0.000 1.197 ( 0.000 0.000 0.000) 0.000 1.261 ( 0.000 0.000 0.000) 0.000 1.400 ( 0.000 0.000 0.000) 0.000 1.481 ( 0.000 0.000 0.000) 0.000 1.654 ( 0.000 0.000 0.000) 0.000 1.681 ( 0.000 0.000 0.000) 0.000 1.702 ( 0.000 0.000 0.000) 0.000 1.748 ( 0.000 0.000 0.000) 0.000 1.898 ( 0.000 0.000 0.000) 0.000 1.913 ( 0.000 0.000 0.000) 0.000 2.010 ( 0.000 0.000 0.000) 0.000 2.343 ( 0.000 0.000 0.000) 0.000 2.457 ( 0.000 0.000 0.000) 0.000 2.926 ( 0.000 0.000 0.000) 0.000 2.928 ( 0.000 0.000 0.000) 0.000 3.212 ( 0.000 0.000 0.000) 0.000 3.346 ( 0.000 0.000 0.000) 0.000 3.396 ( 0.000 0.000 0.000) 0.000 3.559 ( 0.000 0.000 0.000) 0.000 3.766 ( 0.000 0.000 0.000) 0.000 3.804 ( 0.000 0.000 0.000) 0.000 4.101 ( 0.000 0.000 0.000) 0.000 4.236 ( 0.000 0.000 0.000) 0.000 4.440 ( 0.000 0.000 0.000) 0.000 4.471 ( 0.000 0.000 0.000) 0.000 4.703 ( 0.000 0.000 0.000) 0.000 4.820 ( 0.000 0.000 0.000) 0.000 5.397 ( 0.000 0.000 0.000) 0.000 5.502 ( 0.000 0.000 0.000) 0.000 5.506 ( 0.000 0.000 0.000) 0.000 5.750 ( 0.000 0.000 0.000) 0.000 5.869 ( 0.000 0.000 0.000) 0.000 6.172 ( 0.000 0.000 0.000) 0.000 6.261 ( 0.000 0.000 0.000) 0.000 6.398 ( 0.000 0.000 0.000) 0.000 6.654 ( 0.000 0.000 0.000) 0.000 6.815 ( 0.000 0.000 0.000) 0.000 6.947 ( 0.000 0.000 0.000) 0.000 6.967 ( 0.000 0.000 0.000) 0.000 7.003 ( 0.000 0.000 0.000) 0.000 9.511 ( 0.000 0.000 0.000) 0.000 9.546 ( 0.000 0.000 0.000) 0.000 9.844 ( 0.000 0.000 0.000) 0.000 9.891 ( 0.000 0.000 0.000) 0.000 10.278 ( 0.000 0.000 0.000) 0.000 10.353 ( 0.000 0.000 0.000) 0.000 10.449 ( 0.000 0.000 0.000) 0.000 10.500 ( 0.000 0.000 0.000) 0.000 11.253 ( 0.000 0.000 0.000) 0.000 11.355 ( 0.000 0.000 0.000) 0.000 11.457 ( 0.000 0.000 0.000) 0.000 11.527 ( 0.000 0.000 0.000) 0.000 11.810 ( 0.000 0.000 0.000) 0.000 12.045 ( 0.000 0.000 0.000) 0.000 12.045 ( 0.000 0.000 0.000) 0.000 12.125 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/87) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.314 ( 13.988 0.000 4.664) 14.745 0.390 ( 20.246 0.000 -7.465) 21.579 0.524 ( 22.678 0.000 7.918) 24.021 1.011 ( -1.340 0.000 -0.499) 1.430 1.162 ( -3.922 0.000 3.344) 5.154 1.266 ( 0.758 0.000 -1.611) 1.781 1.413 ( 1.000 0.000 2.686) 2.866 1.460 ( -1.867 0.000 -0.511) 1.936 1.651 ( -1.342 0.000 -1.759) 2.213 1.669 ( 2.237 0.000 -8.338) 8.633 1.746 ( 2.600 0.000 2.909) 3.901 1.763 ( 1.729 0.000 -0.679) 1.858 1.903 ( 0.615 0.000 -0.681) 0.918 1.903 ( -3.645 0.000 5.515) 6.611 2.006 ( 0.453 0.000 -4.194) 4.218 2.331 ( -1.337 0.000 -0.018) 1.337 2.495 ( 3.319 0.000 -0.348) 3.337 2.950 ( 1.348 0.000 4.344) 4.549 3.194 ( 1.808 0.000 -2.276) 2.907 3.212 ( 1.161 0.000 -2.943) 3.164 3.365 ( -2.969 0.000 -0.650) 3.039 3.410 ( -3.216 0.000 5.462) 6.339 3.589 ( 2.246 0.000 1.723) 2.831 3.732 ( -3.597 0.000 2.675) 4.483 3.814 ( 0.915 0.000 -1.756) 1.980 4.121 ( 1.435 0.000 0.140) 1.442 4.181 ( -3.396 0.000 -1.875) 3.879 4.454 ( -1.416 0.000 -0.156) 1.425 4.460 ( 2.802 0.000 -8.874) 9.306 4.699 ( -0.615 0.000 0.535) 0.815 4.813 ( -1.083 0.000 1.159) 1.586 5.359 ( -2.020 0.000 -4.456) 4.893 5.511 ( 0.201 0.000 1.101) 1.119 5.723 ( 6.604 0.000 -12.722) 14.333 5.759 ( 0.385 0.000 -0.464) 0.603 5.859 ( -1.334 0.000 1.554) 2.048 6.161 ( 0.155 0.000 -2.047) 2.053 6.254 ( -2.489 0.000 3.857) 4.590 6.401 ( -0.073 0.000 0.528) 0.532 6.652 ( -0.185 0.000 -0.723) 0.747 6.773 ( -3.424 0.000 -1.881) 3.907 6.963 ( 0.156 0.000 3.591) 3.594 6.991 ( -0.467 0.000 -0.656) 0.805 7.303 ( -1.323 0.000 6.321) 6.458 9.499 ( -1.019 0.000 1.387) 1.721 9.573 ( -0.832 0.000 6.649) 6.701 9.843 ( -0.325 0.000 1.041) 1.090 9.891 ( -0.027 0.000 0.069) 0.074 10.299 ( -0.268 0.000 -1.388) 1.414 10.362 ( 0.649 0.000 -0.359) 0.741 10.455 ( 0.736 0.000 -0.533) 0.909 10.505 ( 0.400 0.000 0.248) 0.470 11.222 ( -2.580 0.000 0.684) 2.669 11.387 ( 2.406 0.000 -0.440) 2.446 11.452 ( -0.568 0.000 0.427) 0.711 11.527 ( 0.422 0.000 -0.549) 0.692 11.827 ( -3.057 0.000 -0.312) 3.073 12.078 ( 2.338 0.000 0.747) 2.454 12.116 ( -0.847 0.000 0.076) 0.850 12.638 ( 2.546 0.000 -6.057) 6.570 ======================= Grid point 2 (3/87) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 10.187 0.000 3.499) 10.772 0.696 ( 13.412 0.000 -5.108) 14.352 0.957 ( 16.500 0.000 4.785) 17.180 0.975 ( -1.414 0.000 -1.100) 1.791 1.100 ( -3.577 0.000 3.734) 5.171 1.272 ( 0.512 0.000 -0.625) 0.808 1.411 ( -2.045 0.000 -1.872) 2.773 1.478 ( 3.665 0.000 3.332) 4.953 1.613 ( -1.806 0.000 -0.788) 1.970 1.657 ( 0.615 0.000 -6.185) 6.216 1.803 ( 2.474 0.000 -1.637) 2.967 1.833 ( 4.230 0.000 3.909) 5.759 1.861 ( -3.094 0.000 5.490) 6.302 1.911 ( 0.532 0.000 -1.179) 1.293 1.975 ( -1.686 0.000 -2.748) 3.224 2.285 ( -3.023 0.000 -0.936) 3.164 2.551 ( 1.830 0.000 -0.516) 1.901 3.030 ( 3.642 0.000 4.813) 6.036 3.192 ( 0.576 0.000 -4.092) 4.132 3.241 ( 1.655 0.000 0.641) 1.775 3.272 ( -5.344 0.000 -1.665) 5.597 3.365 ( -3.013 0.000 1.932) 3.579 3.647 ( 1.688 0.000 2.553) 3.061 3.680 ( -2.904 0.000 2.908) 4.110 3.800 ( -0.235 0.000 -4.440) 4.446 4.113 ( -1.132 0.000 -0.500) 1.238 4.170 ( 1.652 0.000 0.664) 1.780 4.433 ( -0.376 0.000 0.705) 0.799 4.469 ( 1.540 0.000 -3.734) 4.039 4.685 ( -0.997 0.000 0.652) 1.191 4.792 ( -1.461 0.000 1.021) 1.783 5.291 ( -2.096 0.000 -3.935) 4.458 5.524 ( 0.354 0.000 1.236) 1.286 5.740 ( -1.651 0.000 -1.763) 2.416 5.773 ( 2.586 0.000 -3.999) 4.762 5.839 ( -1.950 0.000 3.088) 3.652 6.175 ( 1.746 0.000 -0.900) 1.964 6.233 ( -0.532 0.000 1.219) 1.330 6.402 ( 0.229 0.000 0.322) 0.396 6.631 ( -1.500 0.000 -1.412) 2.060 6.679 ( -4.279 0.000 -2.423) 4.917 6.958 ( -0.998 0.000 0.896) 1.341 7.014 ( 1.195 0.000 2.919) 3.154 7.308 ( -0.482 0.000 2.150) 2.203 9.497 ( 0.090 0.000 1.510) 1.512 9.582 ( -0.706 0.000 1.905) 2.031 9.843 ( -0.290 0.000 1.232) 1.265 9.891 ( -0.054 0.000 0.168) 0.176 10.290 ( -0.065 0.000 -0.367) 0.373 10.366 ( -0.124 0.000 -0.477) 0.493 10.470 ( 1.021 0.000 -0.719) 1.248 10.515 ( 0.329 0.000 0.364) 0.491 11.174 ( -2.288 0.000 0.354) 2.315 11.418 ( 0.812 0.000 -0.546) 0.978 11.442 ( -0.672 0.000 0.579) 0.887 11.547 ( 1.801 0.000 -0.259) 1.819 11.767 ( -2.531 0.000 -0.151) 2.536 12.096 ( -1.085 0.000 0.123) 1.092 12.124 ( 1.681 0.000 0.589) 1.781 12.661 ( 1.956 0.000 -2.718) 3.349 ======================= Grid point 3 (4/87) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 2.991 0.000 1.275) 3.251 0.857 ( 4.793 0.000 -1.588) 5.049 0.939 ( -1.310 0.000 -0.716) 1.493 1.078 ( -0.433 0.000 1.757) 1.810 1.213 ( 6.693 0.000 1.132) 6.788 1.276 ( -0.155 0.000 0.315) 0.351 1.376 ( -0.266 0.000 -1.596) 1.618 1.566 ( 2.445 0.000 2.217) 3.300 1.577 ( -1.241 0.000 -0.119) 1.247 1.638 ( 0.208 0.000 -2.369) 2.378 1.826 ( 0.473 0.000 -0.875) 0.995 1.853 ( 0.161 0.000 2.136) 2.142 1.910 ( -0.017 0.000 -0.178) 0.179 1.920 ( -2.182 0.000 -1.429) 2.608 1.936 ( 3.322 0.000 2.309) 4.046 2.215 ( -2.585 0.000 -1.347) 2.914 2.559 ( -0.242 0.000 -0.242) 0.343 3.106 ( 1.852 0.000 0.420) 1.899 3.170 ( -3.027 0.000 -1.135) 3.233 3.192 ( 0.283 0.000 0.284) 0.401 3.276 ( 1.274 0.000 0.569) 1.396 3.326 ( -1.251 0.000 0.489) 1.343 3.649 ( -1.217 0.000 1.012) 1.583 3.666 ( -0.322 0.000 0.883) 0.940 3.789 ( 0.722 0.000 -1.838) 1.975 4.090 ( -0.761 0.000 -0.411) 0.865 4.208 ( 1.183 0.000 0.815) 1.436 4.443 ( 0.449 0.000 0.554) 0.713 4.477 ( 0.532 0.000 -1.183) 1.297 4.671 ( -0.502 0.000 0.288) 0.579 4.773 ( -0.645 0.000 0.351) 0.735 5.245 ( -0.889 0.000 -1.479) 1.726 5.535 ( 0.158 0.000 0.613) 0.633 5.698 ( -1.073 0.000 -1.155) 1.576 5.789 ( 1.133 0.000 -2.230) 2.501 5.815 ( -1.787 0.000 2.538) 3.104 6.197 ( 0.484 0.000 -0.078) 0.490 6.245 ( 0.690 0.000 0.520) 0.863 6.423 ( 1.304 0.000 0.342) 1.348 6.586 ( -1.728 0.000 -0.984) 1.988 6.599 ( -2.169 0.000 -1.242) 2.499 6.951 ( -0.159 0.000 0.279) 0.322 7.045 ( 0.476 0.000 1.460) 1.536 7.308 ( -0.186 0.000 0.518) 0.550 9.514 ( 0.594 0.000 1.002) 1.165 9.569 ( -0.780 0.000 0.032) 0.780 9.845 ( -0.085 0.000 0.550) 0.556 9.890 ( -0.038 0.000 0.077) 0.086 10.293 ( 0.252 0.000 0.023) 0.254 10.355 ( -0.460 0.000 -0.317) 0.559 10.484 ( 0.548 0.000 -0.381) 0.668 10.520 ( 0.039 0.000 0.230) 0.233 11.142 ( -0.924 0.000 0.049) 0.925 11.421 ( -0.009 0.000 -0.287) 0.287 11.435 ( -0.286 0.000 0.276) 0.397 11.580 ( 1.088 0.000 0.007) 1.088 11.732 ( -0.904 0.000 -0.045) 0.906 12.079 ( -0.506 0.000 0.065) 0.510 12.148 ( 0.555 0.000 0.189) 0.586 12.680 ( 0.796 0.000 -0.831) 1.150 ======================= Grid point 7 (5/87) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.309 ( 0.000 15.774 0.000) 15.774 0.368 ( 0.000 18.101 0.000) 18.101 0.386 ( 0.000 20.211 0.000) 20.211 1.044 ( 0.000 -0.641 0.000) 0.641 1.128 ( 0.000 -7.186 0.000) 7.186 1.275 ( 0.000 0.976 0.000) 0.976 1.358 ( 0.000 -1.157 0.000) 1.157 1.548 ( 0.000 3.731 0.000) 3.731 1.566 ( 0.000 -8.592 0.000) 8.592 1.672 ( 0.000 -1.035 0.000) 1.035 1.766 ( 0.000 1.656 0.000) 1.656 1.879 ( 0.000 -1.122 0.000) 1.122 1.902 ( 0.000 -1.408 0.000) 1.408 1.959 ( 0.000 -4.087 0.000) 4.087 2.198 ( 0.000 2.031 0.000) 2.031 2.342 ( 0.000 -0.500 0.000) 0.500 2.636 ( 0.000 15.365 0.000) 15.365 2.931 ( 0.000 0.408 0.000) 0.408 2.958 ( 0.000 3.247 0.000) 3.247 3.214 ( 0.000 0.506 0.000) 0.506 3.325 ( 0.000 -2.111 0.000) 2.111 3.573 ( 0.000 0.929 0.000) 0.929 3.671 ( 0.000 -8.191 0.000) 8.191 3.696 ( 0.000 1.757 0.000) 1.757 3.822 ( 0.000 3.026 0.000) 3.026 4.168 ( 0.000 5.059 0.000) 5.059 4.197 ( 0.000 -3.298 0.000) 3.298 4.464 ( 0.000 2.224 0.000) 2.224 4.497 ( 0.000 -3.402 0.000) 3.402 4.668 ( 0.000 -3.210 0.000) 3.210 5.284 ( 0.000 1.579 0.000) 1.579 5.432 ( 0.000 3.245 0.000) 3.245 5.449 ( 0.000 -3.206 0.000) 3.206 5.539 ( 0.000 1.047 0.000) 1.047 5.891 ( 0.000 2.589 0.000) 2.589 6.192 ( 0.000 4.524 0.000) 4.524 6.230 ( 0.000 -3.256 0.000) 3.256 6.315 ( 0.000 2.148 0.000) 2.148 6.390 ( 0.000 -1.077 0.000) 1.077 6.635 ( 0.000 -3.167 0.000) 3.167 6.832 ( 0.000 1.706 0.000) 1.706 6.851 ( 0.000 -5.551 0.000) 5.551 6.947 ( 0.000 -1.824 0.000) 1.824 7.044 ( 0.000 -0.140 0.000) 0.140 9.515 ( 0.000 0.329 0.000) 0.329 9.543 ( 0.000 -0.337 0.000) 0.337 9.858 ( 0.000 0.318 0.000) 0.318 9.887 ( 0.000 -0.370 0.000) 0.370 10.287 ( 0.000 0.811 0.000) 0.811 10.347 ( 0.000 -0.598 0.000) 0.598 10.456 ( 0.000 0.663 0.000) 0.663 10.517 ( 0.000 -0.784 0.000) 0.784 11.263 ( 0.000 1.017 0.000) 1.017 11.398 ( 0.000 -3.507 0.000) 3.507 11.572 ( 0.000 4.656 0.000) 4.656 11.792 ( 0.000 -1.828 0.000) 1.828 12.039 ( 0.000 -0.482 0.000) 0.482 12.039 ( 0.000 -0.447 0.000) 0.447 12.115 ( 0.000 0.435 0.000) 0.435 12.126 ( 0.000 0.112 0.000) 0.112 ======================= Grid point 8 (6/87) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( 9.800 9.588 2.069) 13.866 0.515 ( 12.940 10.328 -4.378) 17.125 0.658 ( 15.819 10.555 5.841) 19.893 1.005 ( -2.815 -1.485 -0.847) 3.293 1.114 ( -1.121 -4.016 2.241) 4.734 1.278 ( 0.129 0.726 -1.170) 1.383 1.372 ( 1.322 -1.475 0.559) 2.058 1.505 ( -3.897 -1.196 4.151) 5.818 1.586 ( 2.126 -2.600 -5.645) 6.569 1.680 ( 1.300 -0.784 -1.665) 2.253 1.767 ( -0.188 2.034 0.805) 2.196 1.881 ( -2.901 -0.953 2.446) 3.912 1.884 ( 0.047 -1.237 -2.086) 2.426 1.949 ( 0.807 0.815 0.442) 1.229 2.052 ( -5.833 8.131 -2.296) 10.267 2.319 ( -2.131 -1.282 -0.669) 2.576 2.643 ( 1.774 13.296 -1.590) 13.508 2.985 ( 1.701 3.757 4.195) 5.883 3.068 ( 6.564 -4.659 1.982) 8.290 3.211 ( 1.356 0.200 -5.441) 5.611 3.316 ( -1.673 -2.201 2.642) 3.824 3.571 ( -1.169 2.250 -0.504) 2.585 3.641 ( -2.818 -5.663 1.793) 6.574 3.674 ( -0.908 5.291 1.216) 5.504 3.838 ( 0.988 2.508 -0.407) 2.726 4.151 ( -3.281 -2.736 -0.467) 4.297 4.174 ( 0.108 4.301 0.185) 4.306 4.456 ( -2.690 -0.983 1.241) 3.122 4.474 ( 0.835 0.734 -2.874) 3.082 4.651 ( -1.158 -2.934 -1.111) 3.344 5.071 ( -10.068 14.112 -0.562) 17.344 5.398 ( -1.198 3.452 -4.943) 6.147 5.474 ( -0.424 -3.118 3.041) 4.376 5.633 ( 6.768 -2.708 -3.064) 7.908 5.882 ( -1.130 2.833 0.331) 3.068 5.986 ( -9.166 12.358 -8.199) 17.435 6.164 ( -2.232 -0.250 -1.437) 2.667 6.235 ( -0.590 -1.316 1.645) 2.188 6.400 ( 0.492 -0.307 0.446) 0.732 6.648 ( 0.124 -0.941 -1.806) 2.040 6.787 ( -3.728 1.718 -1.893) 4.520 6.945 ( -0.851 -2.912 2.453) 3.901 6.955 ( 1.921 -2.544 2.002) 3.765 7.142 ( 3.823 -10.620 5.508) 12.559 9.504 ( -0.679 0.608 0.929) 1.302 9.563 ( 0.144 -0.844 3.389) 3.496 9.851 ( -0.536 0.594 0.875) 1.185 9.889 ( -0.071 -0.324 0.320) 0.461 10.298 ( 0.574 0.425 -0.628) 0.951 10.356 ( 0.668 -0.606 -0.290) 0.947 10.461 ( 0.656 0.556 -0.522) 1.006 10.508 ( -0.236 -0.274 -0.102) 0.376 11.245 ( -1.996 1.536 0.328) 2.540 11.397 ( -0.008 -3.328 0.351) 3.347 11.552 ( -4.330 8.442 -1.562) 9.615 11.603 ( -5.022 7.219 -0.729) 8.824 11.811 ( -3.042 -1.634 -0.296) 3.465 11.979 ( -3.342 -5.652 0.648) 6.598 12.197 ( 4.465 4.241 0.097) 6.159 12.498 ( 10.701 -9.016 -1.999) 14.135 ======================= Grid point 9 (7/87) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 9.983 3.882 2.178) 10.930 0.742 ( 10.871 4.068 -3.779) 12.207 0.954 ( -1.438 -1.035 1.311) 2.204 0.965 ( 10.765 0.432 1.640) 10.897 1.119 ( 0.527 0.209 2.986) 3.039 1.270 ( -0.431 -0.590 -0.103) 0.738 1.394 ( -0.291 -1.039 -0.971) 1.452 1.467 ( -0.524 -3.418 2.752) 4.420 1.596 ( 1.588 1.396 -2.792) 3.502 1.686 ( 0.236 1.110 -3.236) 3.429 1.786 ( 1.629 -0.137 1.070) 1.954 1.837 ( -1.078 1.118 1.032) 1.865 1.889 ( 0.410 -1.622 -0.612) 1.782 1.968 ( -2.516 1.570 -2.712) 4.019 1.989 ( 1.476 5.594 3.678) 6.856 2.261 ( -2.847 -2.071 -0.991) 3.657 2.664 ( 0.615 10.401 -1.668) 10.552 3.057 ( 2.855 2.654 3.204) 5.046 3.144 ( 0.975 -3.660 0.254) 3.797 3.229 ( 3.568 0.085 -4.992) 6.137 3.296 ( -1.810 -0.224 4.379) 4.744 3.489 ( -5.894 9.114 -1.693) 10.985 3.607 ( -1.583 -5.381 2.178) 6.017 3.697 ( 1.393 4.357 2.742) 5.333 3.827 ( -0.947 2.160 -3.272) 4.033 4.111 ( -0.429 -1.724 1.014) 2.046 4.177 ( 0.094 2.153 -0.194) 2.163 4.416 ( -1.128 -2.161 0.812) 2.570 4.485 ( 1.099 1.502 -1.725) 2.538 4.623 ( -0.999 -3.243 -0.446) 3.423 4.952 ( -3.419 12.014 0.582) 12.504 5.347 ( -1.201 5.436 -3.996) 6.853 5.475 ( -0.659 -4.385 2.002) 4.865 5.726 ( 3.716 -1.376 -2.298) 4.581 5.840 ( -2.648 5.893 -2.280) 6.851 5.865 ( -3.105 2.961 2.390) 4.912 6.126 ( -0.771 -4.005 -0.894) 4.175 6.238 ( 0.381 -0.962 0.207) 1.055 6.413 ( 0.939 1.360 -0.014) 1.653 6.625 ( -1.429 -0.792 -1.867) 2.480 6.692 ( -4.113 1.590 -2.081) 4.876 6.926 ( -1.529 -2.856 0.623) 3.299 6.999 ( 1.280 -1.391 3.054) 3.592 7.202 ( 0.796 -9.623 2.449) 9.962 9.505 ( 0.098 0.766 1.364) 1.567 9.573 ( -0.478 -0.859 1.524) 1.813 9.849 ( -0.307 0.542 1.148) 1.306 9.888 ( -0.150 -0.319 0.332) 0.484 10.300 ( 0.062 0.914 -0.372) 0.988 10.360 ( -0.091 -0.554 -0.543) 0.781 10.475 ( 1.003 0.453 -0.631) 1.268 10.511 ( 0.333 -0.423 0.220) 0.581 11.199 ( -2.315 2.290 0.209) 3.263 11.396 ( -0.537 -3.508 0.412) 3.573 11.476 ( -1.301 5.247 -0.595) 5.438 11.596 ( 0.950 3.864 -0.220) 3.985 11.749 ( -2.815 -1.875 -0.224) 3.389 11.938 ( -1.328 -8.356 0.410) 8.471 12.270 ( 2.609 7.264 0.199) 7.721 12.610 ( 3.509 -4.634 -1.930) 6.124 ======================= Grid point 10 (8/87) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 3.666 2.626 0.740) 4.570 0.878 ( 3.905 1.873 -1.329) 4.531 0.935 ( -0.373 1.653 0.377) 1.736 1.098 ( 2.397 -0.976 0.668) 2.673 1.169 ( 1.965 -3.186 0.754) 3.819 1.256 ( -1.047 -3.436 0.598) 3.641 1.371 ( -0.425 0.054 -1.036) 1.121 1.500 ( 1.399 -4.337 1.600) 4.830 1.615 ( 1.129 3.362 -2.055) 4.099 1.668 ( -0.474 1.696 -0.254) 1.779 1.817 ( 0.785 -1.042 -0.328) 1.345 1.850 ( 1.365 1.101 2.068) 2.712 1.892 ( 0.016 -1.475 0.018) 1.475 1.903 ( -2.441 0.995 -2.299) 3.497 2.038 ( 1.233 4.579 2.085) 5.181 2.212 ( -1.224 -0.614 -0.784) 1.578 2.647 ( -0.884 9.029 -1.045) 9.132 3.106 ( 1.098 0.524 -0.072) 1.219 3.156 ( 0.328 -3.570 0.616) 3.638 3.271 ( 2.460 0.397 -1.067) 2.711 3.309 ( 0.625 3.021 2.709) 4.105 3.359 ( -5.214 10.565 -1.545) 11.882 3.596 ( -0.329 -4.415 0.509) 4.456 3.734 ( 0.418 5.676 2.860) 6.369 3.791 ( -0.374 0.249 -3.148) 3.180 4.110 ( -0.369 0.988 0.207) 1.074 4.186 ( 0.606 -1.194 0.415) 1.402 4.415 ( 0.156 -2.986 0.557) 3.042 4.494 ( 0.451 1.532 -0.701) 1.744 4.609 ( -0.355 -3.265 -0.016) 3.284 4.911 ( -1.067 10.687 0.315) 10.744 5.315 ( -0.448 7.102 -1.502) 7.272 5.473 ( -0.297 -5.763 0.786) 5.824 5.753 ( 0.609 4.789 -2.175) 5.295 5.796 ( -0.963 0.638 0.476) 1.249 5.834 ( -1.203 2.053 1.242) 2.684 6.122 ( 0.258 -6.156 -0.170) 6.164 6.245 ( 0.078 -1.902 0.142) 1.908 6.440 ( 1.294 1.855 0.156) 2.267 6.582 ( -1.446 -0.472 -1.192) 1.933 6.621 ( -1.855 2.234 -0.824) 3.018 6.905 ( -0.603 -4.153 0.141) 4.199 7.030 ( 0.487 -1.317 1.409) 1.989 7.218 ( 0.141 -8.364 0.652) 8.390 9.519 ( 0.480 0.522 0.881) 1.131 9.564 ( -0.623 -0.534 0.081) 0.824 9.850 ( -0.091 0.499 0.520) 0.726 9.887 ( -0.075 -0.361 0.135) 0.392 10.301 ( 0.184 0.828 -0.035) 0.849 10.350 ( -0.415 -0.475 -0.352) 0.722 10.489 ( 0.571 0.493 -0.321) 0.820 10.517 ( 0.097 -0.316 0.192) 0.382 11.166 ( -0.924 2.418 0.028) 2.589 11.385 ( -0.451 -3.246 0.095) 3.279 11.465 ( -0.085 3.071 -0.080) 3.073 11.614 ( 0.683 3.028 -0.062) 3.104 11.708 ( -1.074 -2.454 -0.063) 2.680 11.923 ( -0.383 -8.605 0.127) 8.614 12.304 ( 0.779 8.592 0.084) 8.628 12.646 ( 1.058 -3.278 -0.668) 3.509 ======================= Grid point 14 (9/87) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 0.000 14.009 0.000) 14.009 0.685 ( 0.000 13.887 0.000) 13.887 0.725 ( 0.000 9.270 0.000) 9.270 0.908 ( 0.000 -10.733 0.000) 10.733 1.045 ( 0.000 1.020 0.000) 1.020 1.229 ( 0.000 -9.591 0.000) 9.591 1.369 ( 0.000 1.072 0.000) 1.072 1.397 ( 0.000 -4.269 0.000) 4.269 1.605 ( 0.000 2.455 0.000) 2.455 1.645 ( 0.000 -1.664 0.000) 1.664 1.805 ( 0.000 2.216 0.000) 2.216 1.850 ( 0.000 -2.270 0.000) 2.270 1.879 ( 0.000 -0.278 0.000) 0.278 1.894 ( 0.000 -2.083 0.000) 2.083 2.252 ( 0.000 3.212 0.000) 3.212 2.312 ( 0.000 -2.598 0.000) 2.598 2.889 ( 0.000 6.473 0.000) 6.473 2.935 ( 0.000 -0.290 0.000) 0.290 3.097 ( 0.000 12.220 0.000) 12.220 3.250 ( 0.000 4.120 0.000) 4.120 3.264 ( 0.000 -4.384 0.000) 4.384 3.437 ( 0.000 -12.807 0.000) 12.807 3.633 ( 0.000 2.653 0.000) 2.653 3.686 ( 0.000 -2.250 0.000) 2.250 3.940 ( 0.000 7.880 0.000) 7.880 4.089 ( 0.000 -6.837 0.000) 6.837 4.290 ( 0.000 6.293 0.000) 6.293 4.407 ( 0.000 -5.549 0.000) 5.549 4.520 ( 0.000 3.492 0.000) 3.492 4.595 ( 0.000 -4.027 0.000) 4.027 5.325 ( 0.000 2.653 0.000) 2.653 5.384 ( 0.000 -3.289 0.000) 3.289 5.501 ( 0.000 3.174 0.000) 3.174 5.541 ( 0.000 -0.913 0.000) 0.913 5.983 ( 0.000 6.862 0.000) 6.862 6.130 ( 0.000 -7.039 0.000) 7.039 6.276 ( 0.000 3.782 0.000) 3.782 6.347 ( 0.000 -3.344 0.000) 3.344 6.393 ( 0.000 5.637 0.000) 5.637 6.517 ( 0.000 -7.141 0.000) 7.141 6.824 ( 0.000 1.729 0.000) 1.729 6.862 ( 0.000 -0.496 0.000) 0.496 6.923 ( 0.000 1.498 0.000) 1.498 6.996 ( 0.000 -4.179 0.000) 4.179 9.523 ( 0.000 0.532 0.000) 0.532 9.534 ( 0.000 -0.536 0.000) 0.536 9.866 ( 0.000 0.540 0.000) 0.540 9.878 ( 0.000 -0.572 0.000) 0.572 10.307 ( 0.000 1.222 0.000) 1.222 10.331 ( 0.000 -1.087 0.000) 1.087 10.473 ( 0.000 1.115 0.000) 1.115 10.497 ( 0.000 -1.194 0.000) 1.194 11.291 ( 0.000 1.922 0.000) 1.922 11.337 ( 0.000 -2.748 0.000) 2.748 11.662 ( 0.000 4.473 0.000) 4.473 11.740 ( 0.000 -3.445 0.000) 3.445 12.031 ( 0.000 -0.243 0.000) 0.243 12.032 ( 0.000 -0.262 0.000) 0.262 12.123 ( 0.000 0.327 0.000) 0.327 12.127 ( 0.000 -0.051 0.000) 0.051 ======================= Grid point 15 (10/87) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 3.567 13.447 1.054) 13.952 0.724 ( 5.219 8.923 -2.458) 10.625 0.832 ( 5.880 2.325 2.335) 6.741 0.902 ( 0.473 -6.746 -1.577) 6.944 1.071 ( 2.021 2.841 1.640) 3.853 1.238 ( -0.096 -7.896 0.451) 7.910 1.369 ( 0.307 0.582 0.266) 0.710 1.394 ( -0.478 -3.675 1.045) 3.851 1.615 ( 1.258 2.545 -0.783) 2.945 1.656 ( 1.241 -1.628 -0.552) 2.120 1.810 ( -0.207 2.283 1.449) 2.712 1.852 ( 0.020 -1.908 0.388) 1.947 1.878 ( 0.021 0.869 -0.607) 1.060 1.913 ( 2.284 -2.451 -1.190) 3.555 2.185 ( -4.723 5.375 -1.288) 7.270 2.272 ( -3.126 -3.571 -1.214) 4.899 2.887 ( 0.631 9.097 -1.589) 9.257 2.998 ( 4.299 -3.605 -0.644) 5.647 3.107 ( 0.217 8.170 2.456) 8.534 3.215 ( 0.032 -1.678 -7.322) 7.512 3.291 ( -0.154 2.378 7.054) 7.446 3.444 ( -0.365 -10.431 3.768) 11.097 3.648 ( 1.523 3.226 -1.232) 3.775 3.704 ( 1.809 -1.810 -1.105) 2.788 3.938 ( -0.633 6.867 0.991) 6.967 4.065 ( -2.124 -5.717 0.396) 6.112 4.278 ( -1.218 5.738 0.436) 5.882 4.385 ( -2.071 -5.020 0.439) 5.448 4.521 ( 0.086 3.168 -0.066) 3.170 4.587 ( -0.571 -3.487 -0.644) 3.592 5.262 ( -4.927 6.968 0.748) 8.567 5.375 ( -1.190 -4.917 -0.124) 5.060 5.504 ( 0.375 4.874 -0.268) 4.896 5.584 ( 4.005 -3.069 -1.256) 5.200 5.971 ( -1.236 6.350 -0.121) 6.470 6.104 ( -2.603 -5.895 -0.720) 6.484 6.152 ( -9.062 4.538 -3.534) 10.733 6.214 ( -4.470 -1.985 -1.819) 5.218 6.442 ( 3.002 6.198 -0.854) 6.939 6.582 ( 2.250 -6.251 -1.746) 6.869 6.843 ( -3.357 3.705 -0.198) 5.003 6.886 ( 1.665 -1.233 2.876) 3.545 6.917 ( 1.251 -1.286 2.980) 3.479 6.977 ( -0.796 -6.636 0.358) 6.693 9.521 ( -0.221 1.064 0.872) 1.393 9.543 ( 0.191 -1.118 1.482) 1.867 9.864 ( -0.344 0.729 0.723) 1.083 9.878 ( -0.140 -0.683 0.560) 0.894 10.316 ( 0.678 1.188 -0.328) 1.407 10.339 ( 0.688 -1.087 -0.286) 1.318 10.476 ( 0.395 0.925 -0.434) 1.096 10.495 ( 0.038 -0.944 -0.292) 0.988 11.282 ( -1.076 2.296 0.293) 2.552 11.334 ( -0.379 -3.022 0.316) 3.062 11.660 ( -0.318 4.469 -0.588) 4.518 11.721 ( -3.030 0.410 -0.982) 3.212 11.792 ( -8.842 2.530 -0.330) 9.202 11.879 ( -7.848 -4.837 0.083) 9.220 12.274 ( 7.873 3.913 0.000) 8.792 12.361 ( 10.607 -5.387 -0.368) 11.902 ======================= Grid point 16 (11/87) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 6.512 9.276 1.670) 11.456 0.836 ( 6.108 4.236 -1.233) 7.535 0.911 ( 2.441 -3.237 -0.055) 4.055 0.952 ( 4.798 -2.906 -1.103) 5.717 1.120 ( 0.940 1.795 2.325) 3.084 1.208 ( -3.010 -5.812 0.412) 6.558 1.385 ( 0.588 0.122 0.107) 0.610 1.400 ( 1.094 -1.780 0.747) 2.219 1.646 ( 2.125 2.519 -1.074) 3.466 1.682 ( 1.549 -1.224 -1.632) 2.561 1.808 ( -0.556 2.043 1.285) 2.477 1.849 ( -0.823 -1.785 1.451) 2.443 1.885 ( 1.168 2.823 -1.192) 3.279 1.942 ( 0.628 -2.510 -1.538) 3.010 2.111 ( -1.693 5.570 0.349) 5.832 2.205 ( -2.426 -3.885 -0.907) 4.669 2.884 ( -0.229 10.547 -2.098) 10.756 3.047 ( 1.256 -6.370 -2.333) 6.900 3.125 ( 0.356 3.850 2.171) 4.434 3.199 ( 1.045 -3.295 -2.374) 4.193 3.339 ( 1.669 5.126 4.965) 7.329 3.463 ( 0.433 -6.824 3.178) 7.540 3.654 ( -0.730 5.574 -2.301) 6.074 3.730 ( 1.085 -1.838 -1.025) 2.368 3.919 ( -1.559 6.800 0.797) 7.022 4.040 ( -0.399 -5.156 1.676) 5.436 4.252 ( -1.403 4.834 0.073) 5.034 4.347 ( -1.609 -4.581 0.617) 4.894 4.524 ( 0.251 2.316 -0.253) 2.344 4.570 ( -0.577 -2.471 -0.631) 2.615 5.178 ( -3.474 10.361 0.515) 10.940 5.346 ( -1.217 -6.986 -0.500) 7.109 5.509 ( 0.035 8.618 0.161) 8.620 5.660 ( 3.611 -5.862 -0.292) 6.891 5.932 ( -2.572 4.748 0.130) 5.401 6.000 ( -4.410 8.716 -1.550) 9.891 6.034 ( -3.028 -5.240 -1.079) 6.148 6.159 ( -1.162 -6.941 -0.835) 7.087 6.480 ( 1.499 5.554 -1.078) 5.853 6.584 ( -0.503 -3.914 -1.955) 4.404 6.752 ( -4.057 4.697 -1.421) 6.367 6.857 ( -3.184 -4.743 -0.434) 5.729 6.973 ( 1.664 -0.758 3.084) 3.585 7.016 ( 2.022 -6.841 2.978) 7.730 9.525 ( 0.034 1.269 1.139) 1.705 9.551 ( -0.159 -1.310 1.130) 1.737 9.862 ( -0.289 0.804 0.946) 1.275 9.878 ( -0.238 -0.708 0.654) 0.993 10.322 ( 0.143 1.264 -0.462) 1.353 10.345 ( 0.034 -1.003 -0.570) 1.154 10.486 ( 0.846 0.668 -0.393) 1.147 10.500 ( 0.539 -0.699 -0.075) 0.886 11.254 ( -1.623 3.292 0.217) 3.677 11.324 ( -0.814 -3.766 0.365) 3.870 11.592 ( -3.956 5.947 -0.797) 7.187 11.675 ( -0.388 2.245 -0.780) 2.408 11.698 ( -3.304 -1.345 0.229) 3.575 11.792 ( -1.403 -6.522 0.320) 6.679 12.395 ( 4.371 5.878 -0.112) 7.326 12.506 ( 4.856 -5.629 -0.796) 7.477 ======================= Grid point 17 (12/87) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 2.203 6.468 0.731) 6.872 0.919 ( 2.233 1.019 -0.096) 2.457 0.984 ( 4.371 2.192 -0.437) 4.910 1.038 ( 4.000 -3.421 -0.805) 5.325 1.109 ( -3.394 -2.436 1.533) 4.450 1.144 ( -2.403 -5.907 -0.006) 6.377 1.390 ( 0.151 1.831 -0.254) 1.855 1.435 ( 1.310 -2.643 0.395) 2.976 1.676 ( 1.171 2.010 -0.831) 2.470 1.690 ( 0.028 0.434 -0.784) 0.896 1.806 ( -0.049 0.620 0.241) 0.667 1.841 ( -0.340 -2.240 0.222) 2.276 1.906 ( 0.924 2.333 0.666) 2.596 1.928 ( -0.842 0.489 -0.747) 1.227 2.104 ( -0.085 3.425 0.384) 3.447 2.176 ( -0.319 -3.218 -0.264) 3.245 2.861 ( -0.686 11.289 -1.062) 11.360 3.048 ( 0.124 -7.628 -0.730) 7.664 3.140 ( 0.282 2.974 0.419) 3.016 3.213 ( 0.621 -4.084 0.000) 4.131 3.391 ( 1.153 5.032 1.659) 5.423 3.492 ( 1.019 -4.802 1.284) 5.074 3.601 ( -2.312 9.506 -1.547) 9.904 3.734 ( -0.028 -4.153 -0.467) 4.179 3.904 ( -0.264 8.646 0.372) 8.658 4.054 ( 0.437 -6.119 1.074) 6.228 4.230 ( -0.633 4.768 -0.106) 4.811 4.332 ( -0.353 -5.201 0.313) 5.222 4.528 ( 0.199 1.757 -0.172) 1.777 4.562 ( -0.113 -1.866 -0.142) 1.875 5.134 ( -1.207 11.223 0.207) 11.290 5.328 ( -0.418 -8.662 -0.243) 8.675 5.509 ( -0.069 11.652 0.226) 11.654 5.712 ( 1.374 -7.465 0.093) 7.591 5.888 ( -1.345 4.083 0.128) 4.301 5.944 ( -1.163 10.819 -0.374) 10.888 5.989 ( -0.991 -6.537 -0.627) 6.642 6.144 ( -0.207 -8.404 -0.137) 8.408 6.496 ( 0.586 3.685 -0.353) 3.748 6.559 ( -0.805 -2.222 -0.952) 2.548 6.689 ( -1.526 4.908 -0.550) 5.169 6.805 ( -1.421 -6.153 -0.303) 6.322 7.008 ( 0.583 -0.387 1.270) 1.451 7.054 ( 0.685 -6.183 1.046) 6.309 9.533 ( 0.167 0.846 0.586) 1.043 9.550 ( -0.249 -0.852 0.272) 0.928 9.862 ( -0.107 0.747 0.426) 0.867 9.877 ( -0.112 -0.669 0.278) 0.733 10.320 ( -0.014 1.012 -0.191) 1.030 10.338 ( -0.257 -0.758 -0.337) 0.869 10.500 ( 0.515 0.528 -0.155) 0.753 10.509 ( 0.291 -0.455 0.058) 0.543 11.229 ( -0.756 3.909 0.055) 3.982 11.310 ( -0.502 -4.206 0.128) 4.238 11.544 ( -0.933 4.736 -0.181) 4.831 11.638 ( -1.253 -4.524 -0.277) 4.703 11.686 ( 0.144 4.231 0.090) 4.234 11.782 ( -0.151 -5.877 0.087) 5.880 12.450 ( 1.322 6.553 -0.054) 6.685 12.563 ( 1.407 -5.109 -0.333) 5.310 ======================= Grid point 35 (13/87) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.348 ( -0.738 0.000 16.797) 16.813 0.363 ( 1.247 0.000 19.022) 19.062 0.612 ( -9.353 0.000 27.837) 29.366 1.026 ( -0.689 0.000 -0.160) 0.707 1.145 ( 3.353 0.000 -4.139) 5.327 1.313 ( -1.821 0.000 3.799) 4.213 1.366 ( 2.994 0.000 -3.816) 4.850 1.479 ( 0.013 0.000 -0.116) 0.117 1.607 ( -3.251 0.000 -4.724) 5.735 1.663 ( -1.767 0.000 0.420) 1.816 1.728 ( 2.211 0.000 0.902) 2.388 1.829 ( -1.302 0.000 6.468) 6.598 1.889 ( -0.291 0.000 -0.946) 0.990 2.108 ( -6.458 0.000 13.865) 15.295 2.274 ( -7.571 0.000 22.316) 23.565 2.334 ( 0.306 0.000 -0.732) 0.794 2.449 ( -1.530 0.000 -1.624) 2.231 2.802 ( 4.590 0.000 -5.162) 6.908 3.023 ( 3.252 0.000 -3.013) 4.433 3.153 ( 1.836 0.000 1.466) 2.350 3.383 ( -0.653 0.000 -1.830) 1.943 3.405 ( 0.619 0.000 2.217) 2.302 3.534 ( 2.653 0.000 -2.560) 3.687 3.779 ( -0.225 0.000 -2.086) 2.098 3.852 ( -0.508 0.000 7.355) 7.373 4.101 ( 0.417 0.000 -0.533) 0.677 4.209 ( -2.044 0.000 -2.290) 3.070 4.455 ( 0.197 0.000 -2.200) 2.208 4.725 ( -0.197 0.000 2.598) 2.606 4.870 ( -0.328 0.000 5.252) 5.263 4.915 ( -9.471 0.000 7.146) 11.865 5.351 ( -10.964 0.000 -3.539) 11.521 5.367 ( 4.271 0.000 -11.610) 12.371 5.606 ( -2.331 0.000 3.723) 4.393 5.805 ( -0.687 0.000 3.039) 3.116 5.885 ( -0.417 0.000 1.469) 1.527 6.149 ( -1.926 0.000 -2.224) 2.942 6.403 ( 0.509 0.000 0.140) 0.528 6.497 ( -12.646 0.000 -3.316) 13.073 6.598 ( 1.074 0.000 -5.795) 5.894 6.809 ( -1.678 0.000 -0.575) 1.774 6.947 ( 3.247 0.000 -0.681) 3.317 7.003 ( -0.277 0.000 0.745) 0.795 7.123 ( 16.424 0.000 0.839) 16.445 9.581 ( -1.664 0.000 6.852) 7.051 9.804 ( 1.952 0.000 -3.561) 4.061 9.850 ( 0.943 0.000 -3.441) 3.568 10.206 ( 5.311 0.000 -4.129) 6.727 10.290 ( -3.382 0.000 -3.726) 5.032 10.508 ( -1.875 0.000 5.480) 5.792 10.510 ( -21.078 0.000 4.655) 21.586 10.565 ( -1.372 0.000 5.668) 5.832 11.258 ( 0.870 0.000 0.688) 1.109 11.363 ( -0.916 0.000 0.599) 1.094 11.478 ( 0.009 0.000 2.123) 2.123 11.516 ( -0.427 0.000 -0.712) 0.830 11.805 ( 4.641 0.000 -1.284) 4.816 12.000 ( 0.328 0.000 -4.669) 4.680 12.008 ( 12.777 0.000 -5.121) 13.765 12.096 ( 0.884 0.000 -2.973) 3.101 ======================= Grid point 36 (14/87) ======================= q-point: ( 0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 6.412 0.000 11.817) 13.445 0.517 ( 4.843 0.000 15.706) 16.436 0.785 ( 10.330 0.000 15.407) 18.550 0.999 ( -1.619 0.000 -0.855) 1.831 1.174 ( 1.214 0.000 -2.672) 2.934 1.291 ( -2.117 0.000 4.325) 4.816 1.415 ( 4.350 0.000 -3.017) 5.294 1.449 ( -3.035 0.000 -0.553) 3.085 1.546 ( -0.297 0.000 -3.998) 4.009 1.636 ( -1.208 0.000 0.898) 1.506 1.795 ( 3.889 0.000 1.926) 4.340 1.852 ( -0.003 0.000 8.213) 8.213 1.880 ( 0.157 0.000 -1.518) 1.526 2.090 ( -4.156 0.000 13.780) 14.393 2.216 ( -9.860 0.000 23.353) 25.349 2.320 ( -1.444 0.000 -0.988) 1.750 2.477 ( 3.944 0.000 -2.321) 4.576 2.859 ( 4.094 0.000 -7.694) 8.715 3.075 ( 5.202 0.000 -9.686) 10.994 3.255 ( 3.775 0.000 6.125) 7.195 3.325 ( -3.537 0.000 -3.888) 5.257 3.418 ( -0.511 0.000 1.408) 1.498 3.599 ( 4.567 0.000 -1.029) 4.682 3.751 ( -1.639 0.000 -4.046) 4.365 3.833 ( -4.612 0.000 6.959) 8.348 4.120 ( 1.428 0.000 -0.694) 1.588 4.145 ( -1.860 0.000 -1.347) 2.296 4.434 ( -0.569 0.000 -2.341) 2.409 4.643 ( -9.697 0.000 13.419) 16.556 4.781 ( -4.088 0.000 8.813) 9.715 4.878 ( -1.927 0.000 5.544) 5.870 5.212 ( -0.987 0.000 -6.684) 6.756 5.393 ( 4.108 0.000 -10.750) 11.508 5.704 ( 4.252 0.000 4.116) 5.918 5.800 ( -1.771 0.000 2.292) 2.896 5.897 ( 0.306 0.000 2.404) 2.423 6.121 ( 1.095 0.000 -1.944) 2.231 6.307 ( -5.935 0.000 0.182) 5.938 6.408 ( -0.121 0.000 -0.005) 0.122 6.587 ( 0.915 0.000 -5.983) 6.053 6.736 ( -4.510 0.000 -1.796) 4.854 6.965 ( -0.750 0.000 -2.007) 2.143 7.034 ( 1.969 0.000 3.679) 4.172 7.285 ( 3.220 0.000 -3.448) 4.718 9.583 ( -1.897 0.000 7.252) 7.496 9.818 ( 1.174 0.000 -3.120) 3.334 9.850 ( 1.022 0.000 -3.554) 3.698 9.914 ( -19.022 0.000 16.184) 24.975 10.271 ( 0.791 0.000 -1.700) 1.875 10.334 ( -0.133 0.000 -1.281) 1.288 10.508 ( -1.103 0.000 5.369) 5.481 10.571 ( -1.131 0.000 5.546) 5.660 11.238 ( -2.711 0.000 1.085) 2.920 11.389 ( 2.397 0.000 0.561) 2.462 11.481 ( -0.915 0.000 2.486) 2.649 11.506 ( 0.207 0.000 -1.298) 1.314 11.803 ( -2.344 0.000 -2.214) 3.224 12.032 ( 4.351 0.000 -5.229) 6.803 12.088 ( 0.029 0.000 -2.901) 2.901 12.357 ( 15.983 0.000 -15.884) 22.533 ======================= Grid point 37 (15/87) ======================= q-point: ( 0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 5.586 0.000 5.482) 7.827 0.719 ( 7.968 0.000 7.499) 10.942 0.954 ( -1.663 0.000 -1.127) 2.009 1.052 ( 9.459 0.000 4.379) 10.424 1.157 ( -2.317 0.000 0.758) 2.438 1.296 ( 0.485 0.000 3.903) 3.933 1.369 ( -3.408 0.000 -2.221) 4.068 1.495 ( 4.805 0.000 -4.275) 6.432 1.557 ( 2.828 0.000 -0.634) 2.898 1.620 ( -1.381 0.000 1.668) 2.166 1.853 ( 0.723 0.000 -2.853) 2.943 1.899 ( 0.102 0.000 5.791) 5.792 1.922 ( 4.427 0.000 3.522) 5.657 2.060 ( -6.252 0.000 15.066) 16.312 2.161 ( -7.854 0.000 22.820) 24.134 2.264 ( -3.316 0.000 -1.032) 3.473 2.540 ( 2.645 0.000 -0.759) 2.752 2.895 ( 4.222 0.000 -9.116) 10.046 3.124 ( 3.684 0.000 -6.237) 7.243 3.210 ( -4.812 0.000 -4.818) 6.810 3.305 ( -0.389 0.000 -0.878) 0.960 3.438 ( -0.009 0.000 9.677) 9.677 3.680 ( -1.830 0.000 -2.228) 2.883 3.694 ( 4.689 0.000 -3.218) 5.687 3.768 ( -5.079 0.000 5.939) 7.815 4.100 ( -1.559 0.000 -0.967) 1.834 4.168 ( 2.481 0.000 -0.994) 2.673 4.424 ( 0.706 0.000 -1.971) 2.093 4.583 ( -4.090 0.000 12.226) 12.892 4.754 ( -3.186 0.000 6.394) 7.144 4.858 ( -2.953 0.000 5.744) 6.458 5.178 ( 0.809 0.000 -5.941) 5.996 5.406 ( 3.055 0.000 -10.647) 11.076 5.764 ( -2.343 0.000 1.756) 2.928 5.766 ( 0.668 0.000 1.664) 1.793 5.909 ( -1.502 0.000 3.987) 4.260 6.165 ( 2.955 0.000 -0.160) 2.959 6.242 ( -0.610 0.000 -0.286) 0.673 6.405 ( 0.191 0.000 -0.108) 0.220 6.566 ( 0.066 0.000 -5.451) 5.451 6.633 ( -4.124 0.000 -2.347) 4.745 6.935 ( -0.737 0.000 -2.545) 2.650 7.078 ( 0.199 0.000 2.957) 2.963 7.296 ( 0.314 0.000 -2.497) 2.517 9.589 ( -1.574 0.000 7.621) 7.782 9.738 ( -8.404 0.000 11.502) 14.245 9.816 ( 0.493 0.000 -3.410) 3.446 9.851 ( 0.993 0.000 -3.612) 3.746 10.273 ( 0.471 0.000 -1.246) 1.332 10.333 ( 0.585 0.000 -2.405) 2.475 10.520 ( -0.593 0.000 5.151) 5.185 10.578 ( -1.186 0.000 5.298) 5.429 11.187 ( -2.666 0.000 1.290) 2.962 11.428 ( 0.607 0.000 1.514) 1.631 11.471 ( -1.363 0.000 2.363) 2.728 11.521 ( 2.300 0.000 -2.278) 3.238 11.746 ( -1.846 0.000 -2.109) 2.803 12.069 ( -0.291 0.000 -2.911) 2.925 12.080 ( 3.102 0.000 -4.962) 5.852 12.504 ( 8.034 0.000 -12.170) 14.583 ======================= Grid point 38 (16/87) ======================= q-point: ( 0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 0.283 0.000 1.492) 1.519 0.882 ( 4.647 0.000 4.226) 6.281 0.924 ( -0.292 0.000 -0.847) 0.896 1.105 ( -3.011 0.000 0.844) 3.127 1.190 ( 3.154 0.000 -2.061) 3.767 1.296 ( -1.657 0.000 -0.158) 1.664 1.359 ( 2.374 0.000 1.917) 3.052 1.528 ( 1.160 0.000 -5.378) 5.502 1.600 ( -1.406 0.000 2.235) 2.640 1.646 ( 4.466 0.000 2.796) 5.269 1.846 ( 1.012 0.000 -4.547) 4.658 1.895 ( -2.431 0.000 1.092) 2.666 1.993 ( -0.758 0.000 1.504) 1.685 2.038 ( -5.048 0.000 20.013) 20.640 2.149 ( -6.072 0.000 22.217) 23.032 2.215 ( -0.380 0.000 1.774) 1.814 2.573 ( 0.394 0.000 2.919) 2.945 2.913 ( 3.070 0.000 -12.865) 13.226 3.129 ( -0.313 0.000 -3.014) 3.030 3.150 ( 1.949 0.000 -3.900) 4.360 3.282 ( -0.175 0.000 -2.448) 2.454 3.472 ( -3.015 0.000 10.152) 10.591 3.635 ( -0.181 0.000 -4.210) 4.214 3.706 ( -3.895 0.000 4.801) 6.182 3.773 ( 3.149 0.000 0.233) 3.157 4.073 ( -0.075 0.000 -1.412) 1.414 4.191 ( 0.435 0.000 -2.621) 2.657 4.427 ( 0.371 0.000 -2.379) 2.408 4.589 ( -1.843 0.000 10.752) 10.909 4.729 ( -2.431 0.000 6.026) 6.498 4.832 ( -2.577 0.000 5.656) 6.216 5.183 ( 2.398 0.000 -3.670) 4.384 5.403 ( 2.600 0.000 -10.722) 11.033 5.747 ( -0.432 0.000 2.787) 2.820 5.772 ( -0.165 0.000 -0.056) 0.174 5.884 ( -2.367 0.000 4.260) 4.874 6.204 ( 0.585 0.000 0.702) 0.914 6.249 ( 0.084 0.000 0.042) 0.094 6.419 ( 0.845 0.000 -0.859) 1.204 6.545 ( 1.018 0.000 -3.489) 3.635 6.575 ( -0.028 0.000 -1.200) 1.200 6.911 ( 0.015 0.000 -3.836) 3.836 7.070 ( -1.833 0.000 0.817) 2.006 7.283 ( -0.069 0.000 -2.776) 2.777 9.592 ( -2.611 0.000 6.847) 7.329 9.671 ( -3.932 0.000 9.112) 9.924 9.802 ( 0.271 0.000 -4.163) 4.172 9.850 ( 0.866 0.000 -3.721) 3.821 10.278 ( 0.559 0.000 -1.158) 1.286 10.331 ( 0.601 0.000 -1.880) 1.974 10.538 ( -0.521 0.000 5.043) 5.070 10.579 ( -1.597 0.000 5.135) 5.378 11.154 ( -1.338 0.000 1.567) 2.060 11.440 ( -0.138 0.000 2.218) 2.222 11.455 ( -1.242 0.000 1.868) 2.243 11.553 ( 1.743 0.000 -2.743) 3.250 11.713 ( -0.278 0.000 -1.904) 1.924 12.051 ( 0.212 0.000 -3.035) 3.043 12.101 ( 1.717 0.000 -4.939) 5.229 12.571 ( 4.963 0.000 -10.197) 11.341 ======================= Grid point 39 (17/87) ======================= q-point: (-0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -4.790 0.000 -0.469) 4.812 0.911 ( -0.692 0.000 2.223) 2.328 0.962 ( -0.171 0.000 2.895) 2.900 1.051 ( -2.029 0.000 -0.928) 2.231 1.142 ( -5.964 0.000 -4.058) 7.213 1.285 ( 0.291 0.000 0.652) 0.714 1.410 ( 1.262 0.000 2.380) 2.694 1.487 ( -2.193 0.000 -4.986) 5.447 1.601 ( 0.497 0.000 2.051) 2.110 1.732 ( 1.728 0.000 5.291) 5.566 1.837 ( -2.627 0.000 -1.444) 2.998 1.840 ( -0.235 0.000 -3.815) 3.822 1.929 ( -3.054 0.000 -1.634) 3.464 2.064 ( -4.727 0.000 21.887) 22.391 2.157 ( -4.671 0.000 21.401) 21.904 2.257 ( 1.929 0.000 3.025) 3.588 2.594 ( -0.441 0.000 4.841) 4.861 2.868 ( 0.434 0.000 -15.673) 15.679 3.170 ( 1.843 0.000 -2.548) 3.145 3.172 ( 5.010 0.000 -0.811) 5.076 3.275 ( 0.826 0.000 -3.586) 3.680 3.433 ( -5.111 0.000 8.702) 10.092 3.617 ( 0.122 0.000 -4.097) 4.099 3.668 ( -2.073 0.000 3.072) 3.706 3.823 ( 1.675 0.000 1.348) 2.150 4.086 ( 1.592 0.000 -1.079) 1.923 4.164 ( -0.678 0.000 -3.685) 3.747 4.408 ( -0.519 0.000 -3.165) 3.207 4.614 ( -1.304 0.000 9.184) 9.276 4.734 ( -0.884 0.000 8.711) 8.756 4.821 ( -1.500 0.000 5.263) 5.473 5.232 ( 3.823 0.000 -1.516) 4.112 5.396 ( 2.447 0.000 -10.644) 10.922 5.765 ( 0.449 0.000 -2.547) 2.587 5.771 ( 0.920 0.000 3.287) 3.413 5.887 ( -0.378 0.000 7.056) 7.066 6.207 ( -0.493 0.000 0.895) 1.022 6.229 ( -1.223 0.000 -0.961) 1.555 6.407 ( -0.821 0.000 -1.295) 1.534 6.579 ( 3.090 0.000 -1.960) 3.659 6.622 ( 4.072 0.000 1.150) 4.231 6.892 ( 0.670 0.000 -5.242) 5.285 7.025 ( -2.265 0.000 -0.800) 2.402 7.260 ( -0.515 0.000 -4.185) 4.217 9.563 ( -3.048 0.000 5.888) 6.630 9.672 ( -1.711 0.000 9.489) 9.642 9.785 ( 0.558 0.000 -4.761) 4.793 9.847 ( 0.924 0.000 -3.865) 3.974 10.282 ( 0.440 0.000 -0.490) 0.659 10.339 ( 1.060 0.000 -1.763) 2.057 10.550 ( -1.255 0.000 5.528) 5.669 10.571 ( -1.787 0.000 4.822) 5.142 11.152 ( 0.232 0.000 1.398) 1.417 11.446 ( -0.549 0.000 1.449) 1.549 11.450 ( -0.309 0.000 2.624) 2.642 11.553 ( -0.135 0.000 -2.653) 2.656 11.715 ( 1.461 0.000 -1.814) 2.329 12.048 ( 1.268 0.000 -3.128) 3.375 12.094 ( 0.377 0.000 -5.224) 5.237 12.592 ( 2.680 0.000 -9.929) 10.284 ======================= Grid point 40 (18/87) ======================= q-point: (-0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( -9.655 0.000 1.663) 9.797 0.800 ( -15.052 0.000 1.681) 15.146 0.917 ( -5.565 0.000 3.419) 6.531 1.015 ( -2.917 0.000 3.627) 4.655 1.040 ( 2.120 0.000 -2.649) 3.393 1.301 ( 0.319 0.000 2.244) 2.266 1.405 ( -3.118 0.000 -4.071) 5.128 1.441 ( 1.035 0.000 1.275) 1.642 1.636 ( 1.832 0.000 1.262) 2.225 1.773 ( -3.679 0.000 -1.654) 4.034 1.774 ( -1.074 0.000 4.363) 4.493 1.786 ( -0.713 0.000 -1.857) 1.989 1.906 ( 0.499 0.000 -1.841) 1.907 2.065 ( -6.298 0.000 22.249) 23.123 2.205 ( -2.275 0.000 19.853) 19.983 2.301 ( 1.351 0.000 0.956) 1.654 2.590 ( -3.238 0.000 4.439) 5.495 2.795 ( 1.224 0.000 -12.852) 12.910 3.170 ( -0.949 0.000 -3.424) 3.553 3.260 ( -0.005 0.000 -7.266) 7.266 3.281 ( 5.477 0.000 -0.469) 5.497 3.395 ( -3.031 0.000 7.805) 8.373 3.582 ( -1.286 0.000 -4.438) 4.621 3.675 ( 1.726 0.000 3.390) 3.804 3.845 ( -0.525 0.000 0.030) 0.525 4.118 ( 2.926 0.000 -0.125) 2.929 4.146 ( -0.224 0.000 -1.941) 1.953 4.399 ( 1.941 0.000 -2.920) 3.506 4.639 ( -0.242 0.000 6.715) 6.719 4.786 ( -0.099 0.000 13.880) 13.880 4.828 ( -0.674 0.000 4.859) 4.905 5.307 ( 3.837 0.000 -0.251) 3.845 5.380 ( 1.989 0.000 -11.241) 11.416 5.768 ( 1.702 0.000 -4.360) 4.680 5.804 ( 0.368 0.000 2.600) 2.626 5.933 ( -0.065 0.000 9.010) 9.011 6.197 ( -0.860 0.000 1.222) 1.495 6.227 ( 2.000 0.000 2.085) 2.890 6.394 ( -0.045 0.000 -0.465) 0.467 6.614 ( 1.598 0.000 -3.394) 3.752 6.721 ( 4.524 0.000 1.897) 4.906 6.882 ( 1.468 0.000 -5.912) 6.091 6.992 ( -0.492 0.000 -0.161) 0.517 7.205 ( -2.395 0.000 -7.600) 7.969 9.552 ( -1.339 0.000 6.525) 6.661 9.704 ( -0.418 0.000 12.772) 12.779 9.777 ( 1.278 0.000 -4.813) 4.980 9.846 ( 1.105 0.000 -3.769) 3.928 10.298 ( 1.166 0.000 1.303) 1.749 10.345 ( 0.486 0.000 -2.290) 2.341 10.542 ( -2.528 0.000 5.908) 6.426 10.566 ( -1.406 0.000 4.822) 5.023 11.175 ( 1.465 0.000 0.810) 1.674 11.445 ( -1.751 0.000 1.929) 2.606 11.450 ( 0.187 0.000 1.438) 1.450 11.532 ( -0.376 0.000 -1.471) 1.518 11.751 ( 3.155 0.000 -1.845) 3.655 12.059 ( -0.890 0.000 -5.971) 6.037 12.064 ( 1.932 0.000 -3.103) 3.655 12.561 ( -0.228 0.000 -12.878) 12.880 ======================= Grid point 41 (19/87) ======================= q-point: (-0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( -9.829 0.000 9.970) 14.000 0.459 ( -17.486 0.000 6.538) 18.669 0.765 ( -15.269 0.000 20.653) 25.684 1.022 ( 0.769 0.000 0.687) 1.031 1.091 ( 4.175 0.000 -4.054) 5.819 1.316 ( -0.495 0.000 3.322) 3.359 1.345 ( 0.140 0.000 -4.265) 4.268 1.466 ( 1.073 0.000 0.018) 1.073 1.680 ( 1.602 0.000 1.089) 1.937 1.707 ( -3.569 0.000 -4.509) 5.750 1.707 ( -2.010 0.000 -0.666) 2.117 1.808 ( -0.297 0.000 6.075) 6.082 1.901 ( -0.299 0.000 -0.936) 0.982 2.098 ( -1.509 0.000 17.561) 17.626 2.259 ( -3.356 0.000 19.934) 20.214 2.324 ( 0.907 0.000 -0.460) 1.017 2.523 ( -4.524 0.000 3.041) 5.451 2.785 ( 2.471 0.000 -8.130) 8.497 3.088 ( -5.548 0.000 -4.017) 6.849 3.184 ( -2.134 0.000 -7.924) 8.206 3.365 ( 2.989 0.000 -0.443) 3.022 3.390 ( -1.020 0.000 4.640) 4.750 3.534 ( -0.629 0.000 -4.222) 4.268 3.770 ( 4.029 0.000 6.596) 7.729 3.808 ( -1.676 0.000 -2.026) 2.629 4.115 ( -1.268 0.000 -0.865) 1.535 4.201 ( 3.494 0.000 0.042) 3.494 4.439 ( 2.548 0.000 -2.120) 3.315 4.684 ( 1.699 0.000 3.753) 4.119 4.845 ( -0.174 0.000 4.813) 4.816 4.881 ( 1.703 0.000 14.792) 14.890 5.361 ( 2.716 0.000 -12.024) 12.327 5.375 ( 2.762 0.000 1.468) 3.128 5.767 ( -0.097 0.000 -7.940) 7.940 5.809 ( -1.004 0.000 2.363) 2.567 5.934 ( -3.697 0.000 1.157) 3.874 6.187 ( -1.026 0.000 0.325) 1.076 6.394 ( 0.232 0.000 -0.171) 0.288 6.416 ( 14.157 0.000 14.175) 20.034 6.611 ( 0.710 0.000 -5.115) 5.164 6.801 ( 2.276 0.000 1.031) 2.498 6.896 ( 2.685 0.000 -3.678) 4.553 6.998 ( 0.536 0.000 0.418) 0.680 7.053 ( -8.218 0.000 -10.094) 13.017 9.571 ( -0.908 0.000 6.757) 6.817 9.785 ( 1.947 0.000 -4.289) 4.710 9.849 ( 1.103 0.000 -3.529) 3.697 9.885 ( 13.171 0.000 20.919) 24.719 10.330 ( -0.173 0.000 -3.134) 3.139 10.367 ( 4.950 0.000 8.094) 9.488 10.522 ( -2.507 0.000 5.634) 6.167 10.564 ( -1.553 0.000 5.407) 5.626 11.216 ( 2.245 0.000 0.426) 2.286 11.403 ( -2.824 0.000 0.968) 2.986 11.465 ( 0.317 0.000 1.688) 1.718 11.525 ( -0.132 0.000 -0.450) 0.469 11.813 ( 3.417 0.000 -1.803) 3.864 11.997 ( -1.473 0.000 -7.664) 7.804 12.085 ( 1.722 0.000 -3.039) 3.493 12.371 ( -12.838 0.000 -23.176) 26.494 ======================= Grid point 42 (20/87) ======================= q-point: ( 0.00 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( -1.994 9.297 8.751) 12.923 0.489 ( 0.322 9.525 14.269) 17.159 0.724 ( -5.120 8.494 20.389) 22.674 1.041 ( -1.199 0.093 -0.242) 1.226 1.112 ( 2.678 -3.469 -1.856) 4.759 1.286 ( -1.689 -1.852 1.139) 2.753 1.361 ( 1.460 0.653 -0.252) 1.619 1.424 ( 2.154 -4.181 -5.966) 7.597 1.616 ( -3.194 0.158 0.576) 3.250 1.671 ( -0.368 -0.789 -0.156) 0.884 1.808 ( 0.936 0.443 3.687) 3.830 1.873 ( -0.365 -1.563 -0.897) 1.838 1.969 ( 0.781 8.810 -2.466) 9.182 2.076 ( -5.249 -1.755 13.384) 14.484 2.257 ( -5.824 -0.970 18.756) 19.663 2.339 ( -1.072 -0.367 0.480) 1.230 2.610 ( -1.391 13.842 -3.879) 14.442 2.828 ( 3.832 2.575 -4.093) 6.170 3.018 ( 1.993 -0.005 -3.557) 4.077 3.142 ( 1.131 -0.335 0.368) 1.236 3.375 ( -0.706 -0.435 2.790) 2.911 3.527 ( 0.061 3.261 -4.878) 5.868 3.586 ( 3.153 5.767 -5.665) 8.677 3.751 ( -1.103 -8.451 7.333) 11.243 3.808 ( 0.856 3.924 -0.623) 4.064 4.166 ( 0.549 4.859 -1.469) 5.106 4.189 ( -0.882 -2.420 -0.865) 2.717 4.449 ( 0.772 -1.549 -3.277) 3.706 4.601 ( -2.553 -3.309 9.562) 10.435 4.792 ( -4.156 -3.804 10.880) 12.252 5.168 ( 2.094 9.598 -6.615) 11.844 5.315 ( -0.588 -0.635 -6.814) 6.869 5.435 ( -2.591 3.276 -4.900) 6.438 5.590 ( -0.806 -1.366 3.522) 3.862 5.901 ( -0.438 1.979 0.795) 2.177 5.986 ( -2.089 13.830 -6.883) 15.589 6.176 ( -1.608 2.656 -2.218) 3.815 6.349 ( -4.330 -6.704 -1.097) 8.056 6.407 ( -0.953 -3.687 -1.010) 3.940 6.595 ( -1.285 -2.753 -4.263) 5.235 6.828 ( -1.661 1.956 -0.649) 2.647 6.906 ( 4.768 -4.318 0.899) 6.495 6.950 ( 3.662 -3.474 0.942) 5.135 7.072 ( 5.095 -3.444 1.655) 6.369 9.590 ( -1.722 0.920 7.342) 7.597 9.798 ( 1.308 -1.692 -0.262) 2.155 9.843 ( 0.441 -1.104 -2.706) 2.955 9.909 ( -2.747 -15.035 15.476) 21.751 10.275 ( -1.324 0.080 -1.053) 1.693 10.321 ( 0.250 -1.515 -1.189) 1.942 10.516 ( -1.934 0.732 5.588) 5.958 10.580 ( -2.096 -0.692 5.625) 6.042 11.268 ( 0.250 0.926 0.651) 1.160 11.398 ( 0.140 -3.454 -0.152) 3.460 11.562 ( -0.563 5.114 -0.684) 5.190 11.767 ( -6.281 1.540 -3.784) 7.493 11.860 ( -1.990 11.663 -11.380) 16.416 11.996 ( -1.719 -0.501 -4.877) 5.195 12.011 ( 16.501 0.737 -5.257) 17.333 12.096 ( 0.656 -0.107 -3.196) 3.264 ======================= Grid point 43 (21/87) ======================= q-point: ( 0.14 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 6.408 4.361 9.162) 12.001 0.594 ( 3.847 6.899 11.683) 14.103 0.856 ( 6.627 5.077 11.664) 14.343 1.007 ( -1.728 -0.304 0.941) 1.991 1.140 ( 0.986 -3.170 -0.716) 3.396 1.277 ( -0.052 -0.695 1.824) 1.952 1.386 ( 0.548 -0.278 0.883) 1.076 1.439 ( 3.015 -4.510 -8.038) 9.698 1.556 ( -2.882 2.578 0.737) 3.936 1.660 ( -0.326 0.713 -0.242) 0.821 1.847 ( 0.860 -0.762 2.398) 2.659 1.869 ( -0.306 -0.329 3.588) 3.616 1.923 ( -1.500 7.557 -0.933) 7.760 2.084 ( -3.084 -0.789 14.648) 14.989 2.219 ( -8.188 0.071 21.832) 23.317 2.301 ( -2.517 -1.507 -0.669) 3.009 2.605 ( 2.252 11.656 -3.882) 12.490 2.875 ( 3.681 1.382 -7.282) 8.276 3.061 ( 5.021 -0.537 -8.273) 9.692 3.200 ( 1.785 -2.853 4.199) 5.381 3.379 ( -0.336 1.934 4.334) 4.758 3.497 ( -0.764 5.493 -5.398) 7.739 3.631 ( 3.992 1.598 -3.807) 5.743 3.715 ( -4.169 -4.722 4.000) 7.461 3.834 ( -0.497 3.512 1.204) 3.745 4.138 ( -1.251 -1.219 -1.416) 2.248 4.173 ( -0.383 4.344 -0.265) 4.369 4.426 ( -0.879 -1.471 -2.999) 3.453 4.589 ( -3.915 -1.514 10.609) 11.409 4.751 ( -5.209 -2.601 10.231) 11.772 5.071 ( -6.178 12.457 0.748) 13.925 5.255 ( -0.093 3.714 -6.544) 7.525 5.405 ( 2.655 1.573 -8.579) 9.117 5.666 ( 3.581 -2.857 4.461) 6.394 5.869 ( -2.109 4.341 -1.256) 4.987 5.949 ( -1.072 6.506 1.858) 6.850 6.137 ( -0.824 1.438 -1.318) 2.118 6.246 ( -3.087 -4.983 -1.199) 5.983 6.401 ( 0.165 -1.443 -0.574) 1.561 6.576 ( 0.798 -1.761 -5.584) 5.909 6.751 ( -4.564 1.974 -1.963) 5.346 6.940 ( -0.559 -2.164 -1.575) 2.735 7.012 ( 2.219 -2.122 2.986) 4.283 7.180 ( 3.299 -9.175 -0.609) 9.769 9.593 ( -1.982 1.057 7.676) 7.998 9.794 ( -6.581 -5.930 10.789) 13.961 9.825 ( 0.270 0.056 -2.544) 2.559 9.864 ( -1.776 -1.227 0.758) 2.288 10.274 ( 0.962 0.423 -1.810) 2.093 10.323 ( 0.912 -0.784 -2.307) 2.601 10.515 ( -1.193 0.650 5.416) 5.583 10.569 ( -1.636 -0.426 5.485) 5.740 11.254 ( -2.105 1.348 0.747) 2.608 11.403 ( 0.622 -3.235 0.028) 3.294 11.520 ( -3.534 7.841 -1.154) 8.678 11.593 ( -2.497 5.999 -0.155) 6.500 11.788 ( -2.467 -1.480 -2.065) 3.542 11.953 ( -1.337 -5.098 -3.212) 6.172 12.152 ( 5.248 3.670 -4.650) 7.914 12.326 ( 14.562 -2.671 -12.443) 19.340 ======================= Grid point 44 (22/87) ======================= q-point: ( 0.29 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 5.692 2.570 5.116) 8.074 0.760 ( 7.032 3.508 5.690) 9.702 0.964 ( -0.369 0.636 1.187) 1.396 1.054 ( 4.944 -0.822 5.588) 7.506 1.148 ( 0.201 -1.052 -0.431) 1.155 1.296 ( 0.436 -0.651 2.423) 2.546 1.369 ( -2.369 0.057 -1.596) 2.857 1.445 ( 1.691 -5.765 -5.309) 8.017 1.551 ( 2.601 3.052 -0.609) 4.056 1.662 ( 0.261 1.433 0.495) 1.539 1.850 ( -0.469 -0.116 -1.633) 1.703 1.893 ( -0.109 -0.254 4.949) 4.956 1.951 ( 2.413 2.287 4.591) 5.668 2.074 ( -5.820 1.133 15.988) 17.052 2.195 ( -6.044 1.800 21.543) 22.447 2.243 ( -2.641 -1.851 -0.575) 3.275 2.625 ( 1.401 8.583 -3.315) 9.307 2.902 ( 3.675 0.658 -9.331) 10.050 3.117 ( 3.965 -0.360 -5.646) 6.908 3.224 ( 0.418 -1.548 -0.464) 1.670 3.387 ( -2.740 7.562 -2.216) 8.343 3.452 ( -1.238 2.485 5.593) 6.244 3.643 ( -1.919 -4.079 -0.159) 4.510 3.711 ( 2.983 0.032 -0.776) 3.082 3.797 ( -2.689 5.094 1.448) 5.939 4.128 ( -0.947 0.834 0.648) 1.418 4.165 ( 0.825 1.083 -1.410) 1.960 4.404 ( 0.187 -2.234 -2.166) 3.117 4.576 ( -2.722 0.178 9.873) 10.242 4.712 ( -3.930 -2.544 8.869) 10.029 4.988 ( -3.778 9.994 2.952) 11.084 5.233 ( 1.270 4.904 -5.997) 7.850 5.408 ( 2.020 0.613 -7.851) 8.130 5.735 ( 1.114 -1.490 2.738) 3.310 5.821 ( -1.868 4.126 -0.863) 4.611 5.933 ( -2.419 2.344 3.892) 5.147 6.122 ( -0.197 -3.968 0.271) 3.983 6.229 ( 1.128 -1.964 -1.040) 2.492 6.406 ( 1.032 0.122 -0.835) 1.333 6.552 ( -0.043 -1.343 -5.465) 5.628 6.654 ( -3.492 2.373 -2.051) 4.694 6.906 ( -1.307 -2.618 -2.150) 3.631 7.054 ( 0.304 -2.164 2.218) 3.114 7.207 ( 0.617 -8.219 -1.401) 8.361 9.598 ( -1.785 0.885 7.776) 8.027 9.712 ( -6.470 -2.340 10.618) 12.652 9.821 ( 0.500 0.468 -3.392) 3.460 9.851 ( 0.636 -0.104 -3.365) 3.426 10.279 ( 0.649 0.627 -1.526) 1.773 10.327 ( 0.698 -0.560 -2.437) 2.596 10.526 ( -0.621 0.563 5.180) 5.247 10.573 ( -1.145 -0.508 5.334) 5.479 11.209 ( -2.500 2.059 1.028) 3.398 11.410 ( -0.578 -3.921 0.883) 4.061 11.475 ( -0.639 4.305 0.457) 4.377 11.584 ( 0.639 4.212 -0.675) 4.313 11.728 ( -2.124 -1.828 -1.995) 3.440 11.921 ( -0.560 -7.537 -2.127) 7.852 12.217 ( 3.898 6.527 -5.491) 9.378 12.476 ( 7.939 -2.665 -10.950) 13.785 ======================= Grid point 45 (23/87) ======================= q-point: ( 0.43 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 1.316 2.128 0.984) 2.689 0.897 ( 3.575 1.453 3.263) 5.054 0.958 ( -0.634 3.240 1.555) 3.649 1.121 ( -0.817 -0.365 0.843) 1.230 1.162 ( 1.200 -2.445 0.206) 2.732 1.283 ( -2.392 -2.915 1.557) 4.079 1.352 ( 1.740 0.023 -0.155) 1.747 1.446 ( 1.157 -3.975 -5.619) 6.980 1.620 ( 3.364 0.685 0.477) 3.466 1.670 ( 0.428 1.096 0.933) 1.502 1.832 ( 0.251 -0.200 -3.154) 3.170 1.891 ( -2.024 -0.536 1.240) 2.433 2.010 ( -0.189 1.331 5.038) 5.215 2.059 ( -5.099 1.911 20.096) 20.821 2.170 ( -5.641 0.713 12.149) 13.413 2.231 ( -1.073 0.723 9.287) 9.377 2.638 ( 1.331 7.270 0.214) 7.394 2.912 ( 2.979 0.118 -12.413) 12.765 3.147 ( 1.866 -0.192 -3.888) 4.317 3.249 ( 1.999 -1.014 -1.159) 2.523 3.294 ( -1.990 11.869 -3.957) 12.669 3.464 ( -2.865 -0.128 7.967) 8.468 3.617 ( -0.971 -3.270 0.723) 3.487 3.719 ( -1.157 0.957 -2.142) 2.616 3.800 ( 1.523 3.928 2.691) 4.999 4.105 ( -0.710 2.363 -0.692) 2.563 4.174 ( 0.244 -1.278 -2.065) 2.441 4.398 ( 0.137 -2.960 -2.429) 3.832 4.586 ( -1.710 0.153 9.032) 9.194 4.692 ( -2.649 -2.219 8.600) 9.268 4.943 ( -2.252 8.944 2.837) 9.650 5.243 ( 2.630 5.239 -4.661) 7.489 5.401 ( 1.403 0.155 -7.128) 7.266 5.758 ( 0.625 0.419 1.836) 1.985 5.789 ( -0.902 2.957 -0.797) 3.192 5.900 ( -2.514 1.432 4.347) 5.222 6.134 ( 0.332 -5.978 1.268) 6.121 6.239 ( 0.091 -2.455 -0.591) 2.526 6.431 ( 1.281 1.306 -1.178) 2.176 6.533 ( 1.390 -0.819 -3.875) 4.197 6.607 ( -0.168 2.809 -0.795) 2.924 6.875 ( -0.294 -3.314 -2.963) 4.455 7.045 ( -1.630 -2.215 0.012) 2.750 7.201 ( -0.174 -7.646 -2.170) 7.950 9.598 ( -2.635 0.603 6.965) 7.471 9.661 ( -3.621 -0.971 8.769) 9.537 9.808 ( 0.291 0.504 -4.132) 4.173 9.846 ( 0.746 -0.388 -3.780) 3.873 10.285 ( 0.637 0.687 -1.296) 1.599 10.327 ( 0.668 -0.376 -1.789) 1.947 10.543 ( -0.583 0.482 5.027) 5.084 10.576 ( -1.497 -0.305 5.171) 5.392 11.177 ( -1.245 2.263 1.365) 2.921 11.399 ( -0.850 -3.697 1.211) 3.982 11.476 ( -0.126 2.465 1.137) 2.717 11.596 ( 0.948 3.348 -1.636) 3.845 11.691 ( -0.440 -2.139 -1.632) 2.726 11.904 ( 0.032 -7.802 -2.014) 8.058 12.247 ( 2.215 7.863 -5.814) 10.026 12.544 ( 4.750 -2.578 -9.632) 11.045 ======================= Grid point 46 (24/87) ======================= q-point: (-0.43 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -4.427 2.877 -0.516) 5.305 0.921 ( -1.272 1.427 2.212) 2.924 0.960 ( -1.798 0.915 3.095) 3.694 1.083 ( -2.308 0.763 -1.212) 2.716 1.132 ( -3.978 -1.033 -1.446) 4.357 1.272 ( 0.268 -2.019 1.861) 2.759 1.387 ( 1.206 -1.778 0.500) 2.206 1.428 ( -0.122 -2.960 -4.287) 5.211 1.641 ( -0.667 2.011 0.217) 2.130 1.715 ( 1.892 -1.368 3.031) 3.826 1.816 ( -1.853 -0.017 -0.825) 2.028 1.859 ( 0.851 -0.795 -2.624) 2.871 1.986 ( -2.833 5.154 -1.097) 5.983 2.079 ( -5.097 1.575 22.159) 22.792 2.157 ( -3.533 0.177 18.125) 18.467 2.254 ( -1.095 -1.172 6.582) 6.775 2.683 ( 1.692 8.380 3.099) 9.093 2.881 ( 1.403 1.434 -14.708) 14.844 3.163 ( 1.745 -0.602 -2.963) 3.491 3.220 ( -1.134 -1.176 -2.658) 3.120 3.353 ( 6.240 11.683 -1.837) 13.371 3.423 ( -4.856 -0.527 7.371) 8.842 3.596 ( -1.363 -3.577 -0.408) 3.850 3.685 ( -1.182 2.874 -1.203) 3.332 3.845 ( 1.463 2.082 2.208) 3.369 4.093 ( -0.279 -0.517 -1.658) 1.759 4.161 ( 0.530 0.829 -2.428) 2.620 4.379 ( -0.225 -2.794 -3.127) 4.199 4.596 ( -2.043 -0.612 8.020) 8.298 4.707 ( -1.064 -2.063 10.555) 10.808 4.933 ( -0.159 9.100 2.517) 9.443 5.284 ( 3.684 4.197 -3.791) 6.749 5.390 ( 1.280 0.079 -6.312) 6.441 5.758 ( -0.227 -0.756 -3.073) 3.172 5.810 ( 2.268 4.147 3.028) 5.613 5.892 ( -1.088 0.658 5.812) 5.949 6.139 ( -0.210 -5.141 1.424) 5.338 6.233 ( -0.065 -1.818 -0.926) 2.041 6.426 ( -0.607 1.934 -1.376) 2.450 6.571 ( 3.308 -0.811 -2.387) 4.159 6.642 ( 3.303 2.029 1.210) 4.061 6.863 ( 0.975 -2.710 -4.130) 5.035 7.000 ( -2.083 -2.149 -1.619) 3.403 7.175 ( -0.981 -7.985 -3.572) 8.802 9.572 ( -2.938 0.890 6.077) 6.808 9.659 ( -1.902 -1.225 8.916) 9.198 9.791 ( 0.606 0.597 -4.699) 4.775 9.841 ( 0.912 -0.559 -3.985) 4.126 10.290 ( 0.505 0.794 -0.697) 1.171 10.336 ( 1.020 -0.319 -1.641) 1.958 10.553 ( -1.316 0.296 5.439) 5.604 10.570 ( -1.757 -0.125 4.974) 5.277 11.175 ( 0.341 2.309 1.243) 2.644 11.394 ( -0.208 -3.819 0.920) 3.934 11.481 ( -0.037 2.652 1.564) 3.079 11.597 ( 0.114 3.496 -1.600) 3.846 11.694 ( 1.552 -2.127 -1.517) 3.039 11.900 ( 0.655 -7.799 -2.236) 8.140 12.244 ( 0.719 8.009 -5.925) 9.988 12.562 ( 2.168 -2.953 -9.380) 10.071 ======================= Grid point 47 (25/87) ======================= q-point: (-0.29 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -9.126 4.238 1.501) 10.173 0.828 ( -11.753 2.767 2.474) 12.325 0.921 ( -3.296 0.312 1.586) 3.671 1.012 ( -3.414 -0.009 4.026) 5.278 1.070 ( -0.242 1.824 -1.801) 2.575 1.297 ( 0.715 -0.701 2.499) 2.693 1.393 ( -0.957 -1.201 -3.736) 4.039 1.407 ( 0.471 -2.978 -0.284) 3.028 1.630 ( -0.231 -0.166 1.243) 1.275 1.741 ( -1.030 -2.463 0.034) 2.670 1.778 ( -0.907 0.743 1.844) 2.185 1.878 ( 1.183 -0.079 -1.018) 1.563 1.925 ( -1.284 7.816 -3.073) 8.496 2.083 ( -6.574 1.649 23.062) 24.038 2.204 ( -3.098 -0.266 20.548) 20.782 2.277 ( 1.783 -2.160 0.841) 2.924 2.711 ( -1.132 10.630 3.425) 11.226 2.825 ( 1.310 3.230 -13.122) 13.577 3.155 ( -2.605 -0.921 -1.106) 2.976 3.192 ( 0.904 -3.067 -7.039) 7.731 3.377 ( -3.273 -1.402 7.153) 7.990 3.468 ( 5.859 11.140 -2.990) 12.937 3.576 ( 0.330 -2.730 -1.519) 3.141 3.659 ( -0.861 1.698 0.455) 1.958 3.866 ( -0.693 1.548 0.473) 1.760 4.096 ( 2.407 -2.611 -0.609) 3.603 4.168 ( 0.460 2.555 -1.492) 2.995 4.377 ( 2.239 -2.279 -3.161) 4.494 4.594 ( -2.289 -1.430 7.764) 8.220 4.756 ( -0.668 -2.908 12.320) 12.676 4.969 ( 2.733 10.365 2.425) 10.990 5.332 ( 3.132 0.592 -6.200) 6.971 5.391 ( 1.865 2.623 -3.350) 4.645 5.730 ( -1.080 -2.597 -3.205) 4.264 5.871 ( 1.371 4.671 2.098) 5.301 5.935 ( 2.964 1.506 6.149) 6.990 6.160 ( 1.505 -3.242 2.594) 4.416 6.232 ( 0.556 -0.706 0.220) 0.925 6.407 ( -0.711 1.584 -0.709) 1.876 6.613 ( 2.278 -0.468 -3.206) 3.961 6.733 ( 4.519 1.252 1.911) 5.064 6.863 ( 1.479 -1.760 -5.401) 5.870 6.960 ( -1.116 -2.764 -1.267) 3.239 7.117 ( -2.494 -7.939 -5.532) 9.993 9.561 ( -1.485 0.977 6.630) 6.865 9.677 ( -1.386 -2.267 10.839) 11.160 9.785 ( 1.378 0.730 -4.501) 4.764 9.840 ( 1.153 -0.601 -3.891) 4.103 10.301 ( 0.612 0.376 0.367) 0.807 10.342 ( 0.381 -0.382 -2.184) 2.250 10.546 ( -2.388 0.335 5.891) 6.365 10.566 ( -1.322 -0.048 5.141) 5.309 11.201 ( 1.690 2.305 0.711) 2.945 11.396 ( -0.109 -3.794 0.259) 3.805 11.499 ( 1.406 4.778 1.838) 5.309 11.588 ( -0.168 4.137 -0.830) 4.223 11.736 ( 3.411 -1.603 -1.607) 4.097 11.905 ( 1.299 -7.493 -2.899) 8.138 12.211 ( -0.888 6.871 -5.747) 9.001 12.519 ( -1.470 -3.854 -11.198) 11.934 ======================= Grid point 48 (26/87) ======================= q-point: (-0.14 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( -6.698 7.419 7.473) 12.480 0.564 ( -13.758 9.562 4.173) 17.267 0.812 ( -10.748 3.349 14.890) 18.667 1.031 ( 1.840 -0.105 1.682) 2.495 1.074 ( 1.436 -0.971 -2.080) 2.708 1.315 ( -1.047 -0.532 2.534) 2.793 1.350 ( -0.475 0.876 -2.320) 2.525 1.416 ( 1.375 -4.409 -3.789) 5.974 1.647 ( 0.353 -2.590 1.706) 3.121 1.693 ( -2.276 -0.920 -1.503) 2.878 1.783 ( -0.237 0.352 2.582) 2.617 1.884 ( -0.155 -1.674 -0.726) 1.831 1.928 ( 2.630 10.712 -1.161) 11.091 2.087 ( -3.980 -0.417 17.166) 17.626 2.243 ( -3.631 -1.184 18.839) 19.222 2.325 ( 1.957 -0.391 0.768) 2.139 2.676 ( -2.791 13.387 -0.308) 13.678 2.803 ( 1.635 2.466 -6.779) 7.396 3.063 ( -4.768 -1.226 -1.483) 5.142 3.158 ( -0.215 -1.014 -6.606) 6.687 3.370 ( -0.862 -1.523 4.294) 4.637 3.539 ( 2.633 4.746 -3.205) 6.303 3.568 ( 0.829 6.734 -5.787) 8.918 3.689 ( 2.061 -5.667 5.583) 8.217 3.832 ( -1.875 1.896 -0.751) 2.770 4.161 ( 0.800 2.934 -1.577) 3.425 4.168 ( 2.632 -2.228 0.655) 3.510 4.423 ( 3.283 -2.172 -3.026) 4.965 4.595 ( -2.092 -2.418 8.616) 9.190 4.794 ( -2.174 -3.834 11.344) 12.170 5.075 ( 6.717 10.314 -0.068) 12.309 5.335 ( 1.921 -1.108 -9.094) 9.360 5.430 ( 2.371 3.676 0.060) 4.375 5.671 ( -3.788 -4.413 -1.692) 6.057 5.893 ( 0.220 3.292 1.834) 3.775 6.028 ( 3.340 8.274 -5.041) 10.249 6.197 ( 0.255 0.898 0.485) 1.052 6.317 ( 6.479 -6.496 7.387) 11.778 6.390 ( -0.238 -0.400 -0.588) 0.750 6.637 ( 2.103 0.105 -3.160) 3.798 6.817 ( 2.221 0.696 0.551) 2.392 6.866 ( 0.532 -3.706 -4.458) 5.822 6.906 ( -2.493 -4.645 -2.239) 5.727 7.044 ( -1.111 -1.955 -2.257) 3.186 9.578 ( -0.991 0.778 7.124) 7.235 9.745 ( 1.599 -6.104 12.621) 14.111 9.807 ( 2.854 -1.007 0.969) 3.178 9.843 ( 1.138 -0.578 -3.605) 3.824 10.311 ( -0.712 -1.779 1.739) 2.588 10.326 ( -0.208 -0.396 -2.924) 2.958 10.529 ( -2.399 0.601 5.763) 6.271 10.574 ( -0.865 -0.072 5.859) 5.923 11.244 ( 1.901 1.609 0.368) 2.518 11.394 ( 0.110 -3.310 -0.008) 3.312 11.565 ( 1.622 6.384 -0.006) 6.587 11.615 ( 7.700 8.482 0.369) 11.462 11.797 ( 3.010 -1.577 -1.617) 3.763 11.926 ( 3.274 -4.427 -4.847) 7.335 12.149 ( -2.318 3.788 -4.769) 6.516 12.334 ( -11.563 -3.065 -15.882) 19.883 ======================= Grid point 49 (27/87) ======================= q-point: ( 0.00 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( -1.582 14.256 -0.472) 14.351 0.693 ( -0.996 10.357 8.317) 13.321 0.834 ( 0.857 -0.289 6.655) 6.716 0.937 ( -2.643 -10.397 2.406) 10.994 1.080 ( 0.397 3.287 2.795) 4.333 1.212 ( 1.251 -7.245 -1.584) 7.520 1.383 ( 0.368 1.626 -0.633) 1.783 1.393 ( -0.391 0.552 2.585) 2.672 1.613 ( -0.671 0.460 0.135) 0.825 1.644 ( -0.007 -2.005 -0.846) 2.176 1.812 ( 1.077 0.370 0.846) 1.419 1.833 ( 0.206 -1.913 -0.563) 2.004 2.052 ( -3.868 1.529 14.604) 15.185 2.068 ( -4.768 0.056 11.854) 12.777 2.261 ( -2.986 1.657 7.855) 8.565 2.309 ( -1.599 -2.548 1.454) 3.341 2.834 ( 1.267 6.248 -8.378) 10.528 2.880 ( 0.686 1.138 -2.841) 3.136 3.060 ( 1.334 5.370 -5.264) 7.637 3.135 ( 0.281 -1.185 -2.257) 2.565 3.393 ( 0.376 3.576 7.558) 8.370 3.529 ( 1.235 -6.941 5.380) 8.869 3.605 ( -0.708 -1.036 -0.700) 1.437 3.628 ( 0.131 -0.849 -5.246) 5.316 3.942 ( 0.966 8.366 0.232) 8.425 4.092 ( 0.067 -6.615 -0.258) 6.620 4.277 ( 0.976 5.624 -1.654) 5.943 4.380 ( 1.165 -4.852 -2.896) 5.770 4.619 ( -2.737 3.611 9.805) 10.801 4.705 ( -3.314 -4.827 10.394) 11.930 5.277 ( 2.330 2.951 -4.451) 5.827 5.310 ( 1.601 -0.606 -5.869) 6.113 5.500 ( -1.503 3.471 -0.995) 3.911 5.556 ( -0.535 -2.192 1.647) 2.794 5.977 ( -0.381 6.107 -0.814) 6.173 6.110 ( -0.240 -4.808 -1.895) 5.173 6.264 ( -4.400 1.450 -1.955) 5.029 6.297 ( -3.783 8.423 -6.193) 11.118 6.338 ( 2.646 -2.371 -1.651) 3.918 6.486 ( 0.775 -7.790 -3.219) 8.464 6.846 ( 4.624 -0.038 1.491) 4.859 6.871 ( 2.055 -0.825 0.572) 2.287 6.910 ( 0.334 1.632 -1.264) 2.091 6.989 ( -0.253 -4.838 -0.643) 4.888 9.619 ( -1.839 2.181 9.026) 9.467 9.685 ( -2.172 -5.050 12.606) 13.752 9.827 ( 1.430 0.402 -3.236) 3.561 9.839 ( 1.507 -0.722 -3.075) 3.500 10.286 ( 0.062 0.810 -1.941) 2.104 10.302 ( 0.479 -0.865 -2.450) 2.642 10.535 ( -1.942 1.205 5.660) 6.104 10.560 ( -1.946 -1.245 5.705) 6.155 11.295 ( 0.212 1.807 0.402) 1.863 11.338 ( 0.191 -2.683 0.151) 2.694 11.655 ( -0.273 4.433 -0.588) 4.481 11.731 ( -0.429 -3.189 -0.949) 3.355 11.969 ( -3.495 1.334 -6.032) 7.098 11.984 ( -0.141 -0.626 -5.021) 5.061 12.053 ( 7.153 2.650 -6.005) 9.709 12.087 ( 1.512 -0.946 -4.034) 4.411 ======================= Grid point 50 (28/87) ======================= q-point: ( 0.14 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 3.997 11.338 3.179) 12.435 0.752 ( 2.418 7.721 6.377) 10.301 0.901 ( 1.924 -3.270 2.945) 4.803 0.924 ( 0.314 -6.740 5.401) 8.642 1.117 ( 1.543 3.082 1.369) 3.709 1.230 ( 0.770 -5.984 -1.210) 6.154 1.384 ( 0.292 0.591 -1.745) 1.865 1.394 ( -0.622 0.195 2.359) 2.448 1.601 ( 0.034 2.098 -1.305) 2.471 1.645 ( 0.584 -2.062 -1.312) 2.513 1.837 ( 1.234 0.484 0.238) 1.346 1.858 ( 1.185 -1.067 2.601) 3.051 2.030 ( -3.820 3.563 7.726) 9.326 2.068 ( -3.028 -0.867 15.321) 15.641 2.222 ( -5.516 0.808 12.411) 13.606 2.260 ( -3.775 -2.581 2.273) 5.107 2.822 ( 1.387 8.003 -6.839) 10.618 2.893 ( 2.705 -0.306 -6.955) 7.469 3.077 ( 3.336 2.531 -5.606) 6.997 3.142 ( 0.970 -3.340 0.090) 3.480 3.438 ( -0.289 4.782 8.245) 9.535 3.557 ( -1.189 -4.831 4.768) 6.891 3.590 ( 0.664 1.241 -3.644) 3.907 3.643 ( 2.888 -2.447 -3.891) 5.429 3.958 ( -0.120 7.188 0.923) 7.248 4.077 ( -0.999 -4.837 0.431) 4.957 4.271 ( -0.705 5.226 -1.453) 5.470 4.366 ( -0.834 -4.317 -2.550) 5.082 4.613 ( -3.024 3.184 9.276) 10.263 4.686 ( -4.065 -3.869 9.817) 11.308 5.244 ( -2.985 5.374 -2.628) 6.686 5.299 ( 0.468 -0.322 -5.739) 5.767 5.481 ( 0.986 6.182 -2.437) 6.718 5.596 ( 2.835 -4.762 2.339) 6.015 5.958 ( -0.797 5.837 -1.625) 6.111 6.077 ( -2.257 -0.752 -1.682) 2.914 6.124 ( -6.762 0.080 -0.175) 6.764 6.180 ( -3.698 -1.347 -1.184) 4.110 6.396 ( 3.433 3.623 -3.621) 6.166 6.508 ( 2.355 -5.310 -5.490) 7.993 6.816 ( -4.230 4.505 -1.802) 6.437 6.897 ( -1.529 -2.524 -1.167) 3.173 6.968 ( 2.832 -1.687 2.039) 3.876 7.002 ( 2.377 -6.920 1.214) 7.417 9.625 ( -2.400 2.339 8.933) 9.541 9.688 ( -3.870 -4.247 11.240) 12.624 9.835 ( 1.024 0.668 -3.090) 3.323 9.848 ( 0.877 -0.700 -2.728) 2.950 10.288 ( 1.068 0.924 -2.295) 2.694 10.306 ( 1.154 -0.929 -2.634) 3.022 10.532 ( -1.377 1.066 5.490) 5.760 10.553 ( -1.590 -1.060 5.519) 5.840 11.289 ( -1.084 2.233 0.492) 2.530 11.340 ( -0.138 -3.020 0.313) 3.040 11.639 ( -1.429 4.690 -1.498) 5.126 11.694 ( -2.897 1.133 -1.587) 3.492 11.769 ( -5.879 1.970 -1.843) 6.469 11.855 ( -5.481 -5.022 -2.347) 7.796 12.215 ( 8.670 2.925 -5.876) 10.875 12.270 ( 11.664 -2.883 -8.185) 14.538 ======================= Grid point 51 (29/87) ======================= q-point: ( 0.29 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 4.554 8.087 2.452) 9.599 0.850 ( 4.186 4.794 3.477) 7.252 0.949 ( 2.110 -2.519 3.415) 4.739 0.996 ( 2.609 -4.934 6.218) 8.356 1.139 ( 0.472 1.079 -0.763) 1.403 1.213 ( -2.093 -6.308 -0.603) 6.673 1.377 ( 0.150 1.369 -1.646) 2.147 1.399 ( 0.618 -0.568 -0.023) 0.839 1.608 ( 1.842 2.533 -3.225) 4.495 1.652 ( 1.012 -1.938 -2.003) 2.965 1.858 ( 0.057 1.196 0.790) 1.434 1.885 ( -0.414 -1.118 3.834) 4.015 2.021 ( -0.858 4.624 6.821) 8.285 2.085 ( -3.481 -0.951 14.553) 14.994 2.192 ( -4.538 -0.637 11.200) 12.101 2.210 ( -3.356 -1.655 8.753) 9.519 2.811 ( 1.128 8.263 -6.323) 10.466 2.903 ( 2.709 -1.459 -8.963) 9.477 3.120 ( 3.002 1.127 -3.397) 4.671 3.168 ( 1.456 -3.373 0.018) 3.674 3.468 ( -0.926 3.302 6.682) 7.511 3.546 ( -1.799 -3.642 4.591) 6.130 3.579 ( 0.066 5.487 -5.171) 7.539 3.674 ( 2.210 -3.447 -4.190) 5.858 3.943 ( -1.368 8.147 1.413) 8.381 4.075 ( -0.104 -5.089 1.654) 5.352 4.241 ( -1.253 5.010 -1.471) 5.370 4.336 ( -0.692 -4.492 -1.907) 4.928 4.605 ( -2.504 2.509 8.508) 9.217 4.660 ( -3.478 -2.868 9.068) 10.126 5.171 ( -2.839 7.830 -1.213) 8.416 5.275 ( 0.399 -2.339 -5.401) 5.899 5.497 ( 1.327 9.086 -1.814) 9.359 5.668 ( 2.800 -6.462 1.209) 7.145 5.929 ( -1.286 6.071 -1.300) 6.341 6.004 ( -4.318 5.384 2.184) 7.239 6.032 ( -2.798 -4.880 0.307) 5.634 6.138 ( -0.481 -7.045 -0.944) 7.124 6.438 ( 2.756 3.578 -3.200) 5.535 6.512 ( 1.149 -3.069 -5.256) 6.194 6.727 ( -3.360 5.037 -1.318) 6.197 6.836 ( -2.786 -5.050 -1.427) 5.941 7.013 ( 0.720 -1.285 0.912) 1.733 7.047 ( 1.168 -5.829 0.270) 5.951 9.623 ( -2.500 1.713 8.277) 8.815 9.663 ( -3.967 -2.393 9.253) 10.348 9.833 ( 0.509 0.685 -3.347) 3.454 9.845 ( 0.507 -0.539 -3.302) 3.384 10.295 ( 0.849 0.936 -2.041) 2.401 10.313 ( 0.839 -0.853 -2.368) 2.653 10.541 ( -0.748 0.897 5.284) 5.412 10.559 ( -0.967 -0.880 5.363) 5.521 11.262 ( -1.722 3.301 0.690) 3.787 11.333 ( -0.847 -3.927 0.581) 4.059 11.573 ( -2.699 5.133 -1.114) 5.905 11.649 ( -1.460 -0.612 -1.818) 2.411 11.695 ( -1.609 1.726 -0.377) 2.389 11.788 ( -1.092 -6.019 -0.693) 6.156 12.327 ( 5.962 4.832 -6.830) 10.273 12.410 ( 7.317 -3.888 -8.670) 11.992 ======================= Grid point 52 (30/87) ======================= q-point: ( 0.43 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 0.734 6.275 0.107) 6.319 0.928 ( 1.894 0.326 1.145) 2.237 1.016 ( 1.682 2.405 3.469) 4.544 1.072 ( 1.594 -3.162 4.825) 5.985 1.124 ( -2.194 -1.278 -0.394) 2.569 1.161 ( -1.771 -6.500 1.462) 6.894 1.380 ( 0.802 2.120 -0.834) 2.416 1.413 ( 1.022 -1.020 -2.361) 2.768 1.635 ( 2.669 1.025 -3.508) 4.525 1.662 ( 1.382 -1.470 -2.640) 3.323 1.848 ( -1.019 1.555 0.056) 1.860 1.877 ( -2.066 -1.147 1.942) 3.059 2.055 ( 0.082 3.288 7.113) 7.837 2.095 ( -3.941 0.616 17.203) 17.660 2.166 ( -3.277 0.149 8.453) 9.067 2.208 ( -3.439 -2.790 12.722) 13.471 2.811 ( 2.193 8.260 -4.394) 9.609 2.906 ( 2.864 -1.619 -10.175) 10.693 3.148 ( 1.296 0.727 -2.183) 2.640 3.190 ( 0.339 -3.333 -0.275) 3.361 3.469 ( -1.876 2.666 4.576) 5.619 3.532 ( -2.039 -1.831 0.449) 2.777 3.558 ( 1.045 7.552 -0.758) 7.661 3.689 ( 1.783 -3.997 -3.768) 5.775 3.929 ( -1.100 7.988 1.794) 8.260 4.069 ( -1.332 -5.642 0.325) 5.806 4.217 ( -0.154 4.941 -1.447) 5.150 4.318 ( -0.191 -4.989 -1.897) 5.341 4.607 ( -1.953 1.886 8.109) 8.551 4.649 ( -2.442 -2.289 8.779) 9.396 5.125 ( -1.148 8.802 -1.054) 8.939 5.261 ( 1.201 -4.538 -5.383) 7.143 5.506 ( 0.392 10.914 -1.052) 10.972 5.704 ( 0.573 -6.954 -0.639) 7.007 5.907 ( -0.113 5.853 0.029) 5.854 5.952 ( -2.301 5.723 3.083) 6.896 6.007 ( -0.302 -5.219 1.513) 5.443 6.133 ( 0.220 -8.291 -0.880) 8.341 6.470 ( 1.801 2.470 -2.397) 3.885 6.512 ( 1.740 -1.550 -3.823) 4.478 6.682 ( -0.511 5.011 -0.298) 5.045 6.792 ( -0.740 -5.376 -1.059) 5.529 7.007 ( -1.053 -0.863 -1.258) 1.854 7.050 ( -0.534 -5.839 -1.413) 6.031 9.614 ( -2.753 1.086 7.354) 7.927 9.638 ( -3.085 -1.294 8.025) 8.695 9.820 ( 0.368 0.765 -4.044) 4.132 9.835 ( 0.528 -0.699 -3.913) 4.010 10.301 ( 0.761 0.889 -1.525) 1.922 10.317 ( 0.770 -0.685 -1.657) 1.952 10.554 ( -0.825 0.670 5.080) 5.190 10.567 ( -1.200 -0.571 5.174) 5.342 11.237 ( -1.003 3.824 0.965) 4.070 11.318 ( -0.797 -4.328 0.767) 4.467 11.540 ( -0.455 3.925 -0.161) 3.955 11.617 ( -0.278 -3.318 -1.726) 3.750 11.684 ( -0.040 3.698 -0.311) 3.711 11.775 ( -0.104 -5.544 -0.800) 5.603 12.380 ( 3.268 5.823 -7.117) 9.759 12.477 ( 4.149 -4.253 -8.395) 10.285 ======================= Grid point 53 (31/87) ======================= q-point: (-0.43 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -2.934 6.307 -0.653) 6.986 0.925 ( -2.583 -2.151 0.633) 3.420 1.011 ( -2.961 3.508 1.648) 4.878 1.062 ( -3.523 -1.952 1.201) 4.202 1.113 ( 0.142 -0.184 2.083) 2.096 1.174 ( 1.139 -6.283 2.786) 6.967 1.388 ( 0.005 1.230 -0.583) 1.361 1.404 ( -0.463 -0.403 -2.131) 2.218 1.662 ( 1.060 0.738 -2.393) 2.720 1.686 ( 1.837 -1.589 -1.398) 2.803 1.825 ( -1.517 0.636 -0.322) 1.676 1.838 ( -0.809 -0.874 -0.953) 1.525 2.088 ( 0.297 4.952 1.777) 5.269 2.118 ( -4.479 2.067 21.422) 21.982 2.155 ( -3.589 -0.461 14.598) 15.040 2.202 ( -3.057 -3.939 9.055) 10.337 2.851 ( 3.317 6.917 -2.251) 7.995 2.909 ( 3.261 0.487 -10.977) 11.462 3.151 ( 0.626 -0.304 -2.917) 2.999 3.173 ( -1.621 -2.473 -0.433) 2.989 3.433 ( -4.288 1.907 4.265) 6.342 3.492 ( -2.438 -3.101 0.865) 4.039 3.606 ( 3.934 8.299 -1.098) 9.250 3.708 ( 1.607 -1.739 -2.547) 3.478 3.918 ( -0.764 5.568 1.378) 5.786 4.032 ( -1.668 -5.217 -1.251) 5.618 4.219 ( 1.047 4.322 -1.590) 4.722 4.307 ( 0.357 -4.413 -2.415) 5.043 4.610 ( -2.129 1.925 8.113) 8.606 4.659 ( -1.607 -2.725 9.560) 10.070 5.118 ( 1.134 9.046 -1.323) 9.212 5.265 ( 2.121 -5.638 -5.549) 8.190 5.505 ( 0.102 10.310 -0.645) 10.331 5.690 ( -0.980 -7.049 -1.987) 7.389 5.927 ( 0.615 3.680 3.168) 4.894 5.951 ( 1.638 8.978 1.309) 9.220 6.027 ( 1.012 -5.527 2.446) 6.128 6.137 ( 0.843 -7.922 -0.824) 8.010 6.482 ( 0.742 3.553 -1.936) 4.114 6.543 ( 2.753 -2.304 -2.611) 4.439 6.703 ( 2.371 4.433 0.838) 5.097 6.798 ( 1.840 -4.237 -1.218) 4.777 6.965 ( -1.845 -0.768 -2.940) 3.555 7.012 ( -1.921 -6.530 -3.128) 7.491 9.596 ( -2.643 1.546 6.700) 7.366 9.629 ( -2.269 -1.726 7.745) 8.253 9.807 ( 0.714 0.952 -4.528) 4.682 9.826 ( 0.837 -0.938 -4.261) 4.442 10.309 ( 0.687 1.030 -1.082) 1.644 10.326 ( 0.891 -0.726 -1.393) 1.806 10.560 ( -1.484 0.339 5.317) 5.531 10.566 ( -1.665 -0.251 5.204) 5.470 11.236 ( 0.286 3.728 0.876) 3.840 11.314 ( -0.008 -4.228 0.606) 4.272 11.548 ( 1.241 4.031 0.303) 4.228 11.626 ( 2.067 -3.435 -1.350) 4.230 11.681 ( -0.093 3.809 -0.470) 3.839 11.772 ( 0.222 -5.467 -1.033) 5.568 12.381 ( 0.738 6.129 -7.110) 9.416 12.486 ( 1.252 -4.718 -8.239) 9.576 ======================= Grid point 54 (32/87) ======================= q-point: (-0.29 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -5.921 8.669 0.435) 10.507 0.860 ( -3.994 -2.582 1.677) 5.043 0.941 ( -5.381 3.251 1.275) 6.414 1.000 ( -3.339 -1.715 3.310) 5.004 1.102 ( -1.397 2.736 0.493) 3.112 1.212 ( 1.218 -7.498 0.245) 7.600 1.376 ( -0.348 0.681 -0.309) 0.825 1.386 ( -0.814 -0.301 0.279) 0.912 1.646 ( -1.251 1.771 -0.975) 2.377 1.691 ( -0.841 -2.579 -1.102) 2.927 1.801 ( -0.302 1.627 -0.005) 1.654 1.841 ( 0.586 -2.321 -0.770) 2.514 2.082 ( -1.028 6.526 1.134) 6.703 2.123 ( -7.512 1.925 21.918) 23.250 2.189 ( -3.193 -1.086 19.683) 19.970 2.218 ( 2.987 -3.767 1.277) 4.974 2.891 ( 1.520 5.405 -3.942) 6.860 2.916 ( 2.747 4.477 -8.534) 10.021 3.123 ( -2.228 -0.718 -2.449) 3.388 3.154 ( 1.079 -1.727 -3.255) 3.839 3.369 ( -3.950 1.537 5.291) 6.780 3.450 ( -1.740 -6.032 1.908) 6.562 3.663 ( 1.250 5.532 -1.359) 5.832 3.709 ( -0.234 0.953 -2.466) 2.655 3.916 ( 0.045 4.457 0.269) 4.466 4.019 ( 1.514 -5.103 -0.489) 5.345 4.235 ( 1.465 4.068 -1.978) 4.755 4.315 ( 2.083 -3.889 -2.820) 5.236 4.612 ( -2.226 2.858 8.725) 9.447 4.684 ( -1.467 -4.108 10.399) 11.277 5.154 ( 3.328 8.145 -1.842) 8.989 5.282 ( 2.610 -4.906 -5.864) 8.078 5.507 ( 0.389 7.836 -0.232) 7.849 5.650 ( -1.960 -6.035 -1.671) 6.561 5.957 ( 0.876 5.231 2.526) 5.875 6.033 ( 5.299 6.840 1.152) 8.729 6.074 ( 2.713 -5.386 2.755) 6.631 6.167 ( 2.530 -5.851 0.078) 6.375 6.475 ( -0.734 5.446 -1.526) 5.703 6.578 ( 1.871 -3.764 -2.655) 4.972 6.770 ( 3.376 2.809 -0.266) 4.400 6.829 ( 1.668 -2.009 -3.308) 4.215 6.912 ( -2.020 -1.284 -3.154) 3.959 6.958 ( -0.577 -6.450 -1.980) 6.772 9.589 ( -1.776 1.839 7.150) 7.593 9.630 ( -1.944 -2.352 8.473) 9.006 9.803 ( 1.340 1.046 -4.379) 4.697 9.824 ( 1.236 -1.034 -4.169) 4.469 10.314 ( 0.200 0.875 -0.938) 1.299 10.330 ( 0.215 -0.767 -1.770) 1.941 10.554 ( -2.049 0.452 5.790) 6.159 10.562 ( -1.590 -0.364 5.560) 5.795 11.255 ( 1.164 3.130 0.471) 3.372 11.322 ( 0.426 -3.692 0.231) 3.724 11.602 ( 4.364 5.196 0.342) 6.794 11.674 ( 0.837 4.349 -1.071) 4.556 11.688 ( 3.665 -3.064 -0.634) 4.818 11.776 ( 1.158 -5.866 -1.409) 6.143 12.329 ( -2.279 5.474 -6.880) 9.083 12.430 ( -2.621 -4.994 -8.593) 10.279 ======================= Grid point 55 (33/87) ======================= q-point: (-0.14 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -2.199 11.792 3.227) 12.422 0.782 ( -6.969 11.036 2.669) 13.322 0.828 ( -3.662 -3.245 2.582) 5.532 0.970 ( -2.262 -6.139 4.090) 7.716 1.079 ( -1.337 3.003 1.793) 3.744 1.213 ( -0.157 -9.024 -2.210) 9.291 1.379 ( -0.247 1.219 1.540) 1.980 1.381 ( 0.309 0.632 1.011) 1.232 1.623 ( -0.593 0.748 -0.052) 0.956 1.660 ( -1.193 -2.249 -0.859) 2.687 1.800 ( 0.008 1.503 0.171) 1.512 1.840 ( -0.137 -2.495 -0.899) 2.655 2.065 ( -4.212 3.496 10.868) 12.169 2.089 ( -5.136 0.240 15.251) 16.094 2.240 ( -0.418 1.451 10.781) 10.887 2.291 ( 2.228 -2.874 2.476) 4.399 2.869 ( 0.396 4.239 -8.972) 9.931 2.905 ( -1.020 3.937 -2.723) 4.894 3.075 ( -0.765 4.892 -2.604) 5.594 3.149 ( 0.643 -0.746 -5.090) 5.184 3.354 ( -0.721 1.220 6.236) 6.395 3.466 ( 1.323 -8.627 5.041) 10.079 3.638 ( -1.734 2.350 -1.835) 3.449 3.674 ( -1.647 -0.214 -3.300) 3.694 3.924 ( 0.798 7.400 -0.373) 7.452 4.067 ( 2.366 -6.560 0.162) 6.976 4.257 ( 1.789 5.114 -2.016) 5.781 4.353 ( 2.873 -4.608 -2.948) 6.179 4.617 ( -2.360 3.585 9.513) 10.437 4.705 ( -2.325 -4.998 10.504) 11.863 5.222 ( 4.482 5.407 -3.111) 7.681 5.301 ( 2.494 -2.796 -6.165) 7.214 5.513 ( 0.051 4.667 0.261) 4.675 5.596 ( -2.722 -3.801 -0.511) 4.703 5.979 ( 0.297 6.182 0.788) 6.239 6.105 ( 1.673 -4.008 -0.673) 4.395 6.206 ( 8.294 1.355 -0.120) 8.405 6.242 ( 4.378 -1.396 1.186) 4.746 6.422 ( -3.680 5.383 -2.600) 7.020 6.564 ( -2.825 -7.275 -3.376) 8.503 6.785 ( 0.512 0.502 -3.280) 3.357 6.830 ( 1.488 -2.912 -3.281) 4.632 6.898 ( 1.686 3.335 0.196) 3.742 6.978 ( 1.578 -4.334 -0.108) 4.614 9.602 ( -1.287 1.724 8.259) 8.534 9.649 ( -1.326 -3.373 10.932) 11.517 9.813 ( 1.788 0.735 -3.715) 4.188 9.829 ( 1.414 -0.856 -3.804) 4.147 10.303 ( -0.629 0.418 -1.132) 1.361 10.316 ( -0.373 -0.680 -2.325) 2.451 10.544 ( -2.064 0.939 5.853) 6.277 10.563 ( -1.537 -0.886 5.903) 6.164 11.280 ( 1.012 2.237 0.257) 2.469 11.331 ( 0.419 -3.000 0.109) 3.031 11.661 ( 0.078 4.381 -0.380) 4.398 11.728 ( 2.236 -0.706 -0.194) 2.353 11.776 ( 9.512 2.678 -1.963) 10.075 11.849 ( 7.982 -3.708 -2.974) 9.290 12.213 ( -5.739 3.035 -6.087) 8.900 12.272 ( -8.692 -3.107 -9.029) 12.912 ======================= Grid point 70 (34/87) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 0.406 0.000 11.307) 11.314 0.709 ( 0.847 0.000 16.740) 16.762 0.982 ( -4.510 0.000 5.426) 7.056 1.037 ( -4.313 0.000 5.664) 7.119 1.052 ( 3.884 0.000 -5.441) 6.685 1.274 ( 3.898 0.000 -3.352) 5.141 1.368 ( -0.674 0.000 1.428) 1.579 1.482 ( 0.033 0.000 0.591) 0.592 1.561 ( -3.209 0.000 -0.014) 3.209 1.713 ( 0.077 0.000 0.034) 0.085 1.740 ( 0.358 0.000 5.322) 5.334 1.866 ( -0.407 0.000 -1.235) 1.301 1.945 ( 0.030 0.000 4.955) 4.955 2.294 ( 4.351 0.000 -7.174) 8.391 2.329 ( -0.500 0.000 0.529) 0.728 2.536 ( -9.229 0.000 22.355) 24.185 2.689 ( -1.773 0.000 11.193) 11.333 2.859 ( -6.273 0.000 16.564) 17.712 2.877 ( 0.176 0.000 -6.823) 6.825 3.243 ( 3.519 0.000 4.926) 6.054 3.306 ( -1.756 0.000 -6.491) 6.725 3.463 ( 4.236 0.000 -5.017) 6.566 3.475 ( -0.326 0.000 6.196) 6.205 3.751 ( -0.902 0.000 -0.487) 1.025 3.996 ( -1.244 0.000 6.694) 6.809 4.059 ( 1.245 0.000 -4.055) 4.242 4.162 ( -1.120 0.000 -2.955) 3.160 4.371 ( 1.035 0.000 -6.850) 6.927 4.795 ( -0.309 0.000 4.053) 4.064 5.007 ( -1.392 0.000 8.472) 8.586 5.079 ( -4.323 0.000 9.640) 10.565 5.135 ( 5.060 0.000 -11.552) 12.611 5.304 ( -9.465 0.000 -0.750) 9.495 5.699 ( 3.403 0.000 6.361) 7.214 5.821 ( 0.724 0.000 -1.654) 1.806 5.918 ( -0.904 0.000 1.938) 2.138 6.098 ( -2.159 0.000 -2.975) 3.676 6.389 ( 0.851 0.000 -1.879) 2.062 6.414 ( -6.085 0.000 -5.069) 7.920 6.445 ( 2.016 0.000 -9.781) 9.987 6.799 ( -2.633 0.000 -0.325) 2.653 6.912 ( 3.618 0.000 -2.638) 4.478 7.041 ( 1.233 0.000 2.823) 3.081 7.139 ( 6.854 0.000 0.716) 6.891 9.730 ( -1.600 0.000 7.117) 7.295 9.738 ( 2.013 0.000 -2.749) 3.407 9.794 ( 0.353 0.000 -1.829) 1.863 10.097 ( 3.431 0.000 -6.706) 7.532 10.253 ( -1.158 0.000 0.576) 1.293 10.594 ( -11.588 0.000 4.033) 12.270 10.621 ( -1.746 0.000 5.554) 5.822 10.663 ( -0.792 0.000 3.474) 3.563 11.287 ( 0.281 0.000 2.698) 2.712 11.370 ( -0.886 0.000 0.462) 1.000 11.522 ( -1.389 0.000 1.683) 2.182 11.533 ( 0.298 0.000 3.474) 3.487 11.770 ( 2.565 0.000 -2.369) 3.491 11.871 ( -0.610 0.000 -8.539) 8.560 11.885 ( 10.058 0.000 -7.417) 12.497 12.017 ( 1.529 0.000 -5.138) 5.361 ======================= Grid point 71 (35/87) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 2.040 0.000 8.995) 9.223 0.824 ( 0.662 0.000 15.557) 15.571 0.962 ( 0.678 0.000 -2.009) 2.120 1.000 ( -0.568 0.000 3.575) 3.620 1.095 ( 3.224 0.000 -4.911) 5.875 1.343 ( 4.315 0.000 -1.223) 4.485 1.362 ( -0.697 0.000 1.581) 1.728 1.452 ( -3.670 0.000 1.460) 3.949 1.531 ( 0.015 0.000 1.392) 1.392 1.689 ( -2.192 0.000 3.348) 4.002 1.809 ( 1.618 0.000 -0.804) 1.807 1.873 ( 3.249 0.000 2.566) 4.140 1.966 ( -0.457 0.000 3.708) 3.736 2.306 ( -1.933 0.000 -0.100) 1.936 2.317 ( 2.614 0.000 -10.892) 11.202 2.509 ( -7.027 0.000 27.363) 28.251 2.710 ( -3.525 0.000 15.511) 15.907 2.833 ( -3.165 0.000 9.899) 10.393 2.921 ( 6.011 0.000 -3.224) 6.821 3.213 ( -3.625 0.000 -7.715) 8.524 3.294 ( 0.053 0.000 -0.188) 0.195 3.524 ( 4.492 0.000 -6.859) 8.198 3.538 ( 2.148 0.000 9.257) 9.503 3.703 ( -2.399 0.000 -0.886) 2.557 3.961 ( -4.988 0.000 5.892) 7.720 4.082 ( 2.516 0.000 -3.249) 4.109 4.129 ( -1.056 0.000 -1.065) 1.500 4.349 ( 1.041 0.000 -6.995) 7.072 4.792 ( -2.105 0.000 3.719) 4.273 5.013 ( -7.796 0.000 12.759) 14.952 5.015 ( -2.508 0.000 8.391) 8.758 5.164 ( -4.172 0.000 2.477) 4.852 5.173 ( 4.578 0.000 -11.246) 12.143 5.793 ( 1.522 0.000 5.347) 5.559 5.803 ( -1.503 0.000 -2.187) 2.654 5.945 ( 1.974 0.000 2.405) 3.111 6.089 ( 2.777 0.000 -1.588) 3.199 6.276 ( -4.593 0.000 -2.672) 5.314 6.394 ( 0.626 0.000 -2.008) 2.103 6.434 ( 1.959 0.000 -9.359) 9.562 6.709 ( -5.578 0.000 -0.969) 5.662 6.918 ( -0.745 0.000 -2.737) 2.836 7.097 ( 1.812 0.000 2.680) 3.235 7.228 ( 2.730 0.000 -2.579) 3.756 9.736 ( -1.538 0.000 7.094) 7.259 9.755 ( 1.105 0.000 -2.738) 2.953 9.788 ( 0.266 0.000 -2.454) 2.469 10.048 ( -5.980 0.000 -1.027) 6.068 10.252 ( 0.485 0.000 0.863) 0.990 10.382 ( -8.503 0.000 6.559) 10.739 10.618 ( -1.487 0.000 4.960) 5.178 10.670 ( -0.640 0.000 4.066) 4.116 11.275 ( -2.611 0.000 3.305) 4.212 11.394 ( 2.625 0.000 -0.133) 2.628 11.504 ( -1.189 0.000 1.593) 1.987 11.543 ( -1.290 0.000 3.883) 4.092 11.740 ( -1.974 0.000 -4.532) 4.943 11.903 ( 5.361 0.000 -7.458) 9.186 12.010 ( 0.651 0.000 -5.128) 5.170 12.088 ( 13.362 0.000 -13.031) 18.664 ======================= Grid point 72 (36/87) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 1.217 0.000 4.943) 5.091 0.903 ( 0.997 0.000 6.385) 6.462 0.932 ( -1.155 0.000 2.136) 2.428 1.081 ( 5.363 0.000 -1.943) 5.704 1.121 ( 1.381 0.000 -3.520) 3.781 1.335 ( -3.309 0.000 -0.677) 3.377 1.402 ( -1.152 0.000 5.140) 5.267 1.423 ( 3.685 0.000 -0.950) 3.805 1.574 ( 3.380 0.000 1.090) 3.551 1.664 ( -1.884 0.000 2.230) 2.919 1.789 ( -0.907 0.000 -3.308) 3.430 1.961 ( -1.675 0.000 1.960) 2.578 1.993 ( 3.881 0.000 3.879) 5.487 2.264 ( -1.818 0.000 1.652) 2.457 2.312 ( 2.578 0.000 -7.436) 7.870 2.522 ( -6.962 0.000 28.015) 28.867 2.736 ( -1.098 0.000 8.642) 8.711 2.827 ( -3.686 0.000 12.498) 13.031 3.025 ( 4.741 0.000 -1.303) 4.917 3.100 ( -2.885 0.000 -6.474) 7.087 3.269 ( -1.324 0.000 -1.156) 1.758 3.533 ( 1.382 0.000 -9.029) 9.134 3.620 ( 0.291 0.000 8.350) 8.356 3.711 ( 2.954 0.000 0.859) 3.076 3.887 ( -5.367 0.000 6.219) 8.215 4.066 ( -1.571 0.000 -3.088) 3.465 4.131 ( 1.192 0.000 -2.690) 2.942 4.346 ( 2.109 0.000 -6.560) 6.890 4.760 ( -2.843 0.000 3.756) 4.710 4.948 ( -5.597 0.000 13.594) 14.701 5.000 ( -3.604 0.000 8.773) 9.485 5.137 ( -0.508 0.000 3.229) 3.269 5.190 ( 3.359 0.000 -11.230) 11.722 5.763 ( -0.732 0.000 -1.926) 2.060 5.812 ( -1.555 0.000 3.277) 3.627 5.970 ( -1.297 0.000 2.127) 2.492 6.163 ( 4.128 0.000 -0.282) 4.137 6.238 ( 1.224 0.000 0.403) 1.288 6.390 ( 0.190 0.000 -2.263) 2.271 6.425 ( 2.291 0.000 -8.697) 8.994 6.594 ( -4.448 0.000 -1.721) 4.769 6.877 ( -1.522 0.000 -3.245) 3.584 7.116 ( -1.061 0.000 0.979) 1.444 7.239 ( 0.425 0.000 -3.206) 3.234 9.746 ( -1.436 0.000 7.134) 7.277 9.748 ( -0.181 0.000 -2.935) 2.941 9.782 ( 0.648 0.000 -3.141) 3.207 9.910 ( -7.575 0.000 4.413) 8.767 10.269 ( 0.477 0.000 1.380) 1.460 10.319 ( -1.883 0.000 3.091) 3.619 10.617 ( -0.849 0.000 3.595) 3.694 10.679 ( -0.961 0.000 4.842) 4.937 11.241 ( -2.798 0.000 4.919) 5.659 11.448 ( 2.916 0.000 -1.385) 3.228 11.496 ( -0.569 0.000 1.884) 1.968 11.527 ( -2.149 0.000 3.379) 4.004 11.687 ( -0.910 0.000 -4.022) 4.123 11.957 ( 3.928 0.000 -7.317) 8.305 11.990 ( 0.231 0.000 -5.208) 5.213 12.239 ( 9.690 0.000 -15.120) 17.959 ======================= Grid point 73 (37/87) ======================= q-point: ( 0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -2.267 0.000 1.924) 2.973 0.900 ( 0.360 0.000 -1.299) 1.348 1.003 ( 2.603 0.000 6.913) 7.387 1.100 ( -2.142 0.000 -1.593) 2.669 1.137 ( 1.201 0.000 -3.560) 3.757 1.281 ( -0.939 0.000 0.432) 1.033 1.432 ( 0.732 0.000 3.453) 3.530 1.453 ( -0.043 0.000 -1.861) 1.862 1.642 ( -1.198 0.000 1.454) 1.884 1.665 ( 5.084 0.000 -0.610) 5.120 1.765 ( 0.871 0.000 -3.214) 3.330 1.918 ( -3.400 0.000 1.402) 3.678 1.996 ( -3.964 0.000 -0.103) 3.966 2.285 ( 1.216 0.000 5.360) 5.496 2.347 ( 3.356 0.000 -2.433) 4.145 2.538 ( -6.422 0.000 25.263) 26.067 2.715 ( -1.199 0.000 -4.022) 4.196 2.848 ( -4.910 0.000 24.634) 25.119 3.066 ( 2.540 0.000 -3.380) 4.229 3.082 ( 2.159 0.000 -1.973) 2.925 3.245 ( -0.876 0.000 -0.535) 1.026 3.519 ( 1.874 0.000 -7.705) 7.929 3.621 ( -3.789 0.000 6.036) 7.127 3.781 ( 3.164 0.000 0.188) 3.170 3.821 ( -4.984 0.000 6.721) 8.368 4.033 ( 0.379 0.000 -3.086) 3.109 4.112 ( -0.785 0.000 -5.411) 5.467 4.345 ( 1.123 0.000 -6.395) 6.492 4.729 ( -1.911 0.000 2.761) 3.358 4.943 ( -2.705 0.000 14.863) 15.107 4.973 ( -3.608 0.000 8.353) 9.099 5.174 ( 2.058 0.000 4.265) 4.735 5.193 ( 2.930 0.000 -10.424) 10.828 5.761 ( 1.256 0.000 -1.443) 1.913 5.773 ( -3.102 0.000 0.276) 3.115 5.966 ( 0.300 0.000 4.234) 4.245 6.216 ( 1.016 0.000 0.355) 1.076 6.254 ( -1.353 0.000 0.590) 1.476 6.376 ( 0.370 0.000 -4.553) 4.568 6.450 ( 4.232 0.000 -6.050) 7.383 6.558 ( 2.103 0.000 -0.466) 2.154 6.827 ( -1.370 0.000 -4.494) 4.698 7.072 ( -3.010 0.000 -0.487) 3.049 7.219 ( -0.566 0.000 -3.718) 3.761 9.723 ( -0.439 0.000 -3.394) 3.423 9.740 ( -3.782 0.000 7.271) 8.196 9.777 ( 0.641 0.000 -3.324) 3.386 9.825 ( -2.691 0.000 4.480) 5.226 10.286 ( 0.286 0.000 2.062) 2.082 10.314 ( -0.358 0.000 2.638) 2.663 10.625 ( -0.131 0.000 2.855) 2.858 10.681 ( -1.554 0.000 4.941) 5.180 11.220 ( -2.269 0.000 5.875) 6.298 11.485 ( 1.756 0.000 -2.833) 3.333 11.501 ( -1.939 0.000 2.640) 3.275 11.503 ( -0.109 0.000 3.248) 3.250 11.662 ( 0.376 0.000 -3.174) 3.197 11.969 ( 0.732 0.000 -5.311) 5.361 11.979 ( 2.316 0.000 -7.264) 7.625 12.316 ( 6.612 0.000 -15.879) 17.201 ======================= Grid point 74 (38/87) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -4.994 0.000 1.220) 5.140 0.918 ( 1.586 0.000 -0.404) 1.636 1.031 ( -5.300 0.000 1.069) 5.406 1.035 ( -3.048 0.000 -1.119) 3.247 1.116 ( -0.200 0.000 2.819) 2.826 1.302 ( 1.873 0.000 1.687) 2.521 1.413 ( -2.330 0.000 -2.202) 3.206 1.448 ( -0.054 0.000 0.519) 0.522 1.636 ( -0.112 0.000 0.997) 1.003 1.736 ( 2.143 0.000 -3.186) 3.840 1.796 ( 2.911 0.000 -0.961) 3.065 1.865 ( -2.155 0.000 2.982) 3.679 1.895 ( -5.120 0.000 0.039) 5.120 2.323 ( -0.201 0.000 3.721) 3.727 2.381 ( -0.308 0.000 -2.300) 2.320 2.517 ( -4.142 0.000 10.758) 11.528 2.728 ( 0.035 0.000 13.972) 13.972 2.862 ( -7.243 0.000 23.857) 24.932 3.102 ( 1.497 0.000 -4.222) 4.480 3.147 ( 6.150 0.000 -1.572) 6.348 3.210 ( -2.346 0.000 -1.890) 3.012 3.511 ( 0.915 0.000 -6.996) 7.055 3.565 ( -4.647 0.000 5.998) 7.588 3.768 ( -3.202 0.000 6.704) 7.429 3.828 ( 1.374 0.000 -1.135) 1.782 4.047 ( 2.062 0.000 -2.831) 3.502 4.073 ( 1.336 0.000 -5.746) 5.899 4.323 ( 0.365 0.000 -5.888) 5.899 4.719 ( -0.697 0.000 3.392) 3.463 4.956 ( -2.409 0.000 7.886) 8.245 4.993 ( -0.682 0.000 14.486) 14.503 5.187 ( 1.890 0.000 -10.206) 10.380 5.257 ( 3.429 0.000 5.419) 6.412 5.713 ( -1.920 0.000 -2.245) 2.954 5.786 ( 1.857 0.000 -1.845) 2.618 6.028 ( 1.820 0.000 7.074) 7.304 6.214 ( -0.794 0.000 -0.625) 1.010 6.218 ( -0.504 0.000 -0.370) 0.625 6.370 ( 1.222 0.000 -2.692) 2.956 6.497 ( 3.342 0.000 -6.864) 7.635 6.644 ( 5.222 0.000 1.232) 5.366 6.776 ( -0.531 0.000 -6.454) 6.475 7.016 ( -1.961 0.000 0.071) 1.962 7.172 ( -2.054 0.000 -4.543) 4.985 9.698 ( -3.267 0.000 6.810) 7.553 9.701 ( 0.133 0.000 -3.438) 3.440 9.774 ( 0.906 0.000 -3.099) 3.229 9.835 ( 0.393 0.000 4.768) 4.784 10.300 ( 0.292 0.000 0.445) 0.532 10.334 ( 0.401 0.000 5.724) 5.738 10.640 ( -0.020 0.000 2.557) 2.557 10.671 ( -2.049 0.000 4.986) 5.390 11.214 ( -1.467 0.000 5.783) 5.966 11.485 ( -0.185 0.000 -2.736) 2.743 11.486 ( -0.889 0.000 2.507) 2.660 11.522 ( -0.013 0.000 3.558) 3.558 11.666 ( 1.691 0.000 -3.105) 3.536 11.966 ( 1.886 0.000 -5.278) 5.605 11.968 ( 0.570 0.000 -7.437) 7.459 12.327 ( 3.233 0.000 -16.963) 17.269 ======================= Grid point 75 (39/87) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( -4.957 0.000 4.051) 6.402 0.831 ( -11.444 0.000 3.596) 11.996 0.975 ( 1.651 0.000 1.278) 2.088 0.991 ( 0.054 0.000 -2.646) 2.647 1.130 ( -1.650 0.000 6.485) 6.691 1.344 ( -4.012 0.000 -1.448) 4.265 1.348 ( 1.197 0.000 2.257) 2.555 1.451 ( 0.486 0.000 -0.294) 0.568 1.648 ( 1.181 0.000 -0.405) 1.249 1.710 ( -1.959 0.000 -3.612) 4.109 1.800 ( -4.294 0.000 4.778) 6.424 1.857 ( 2.288 0.000 -2.278) 3.229 1.878 ( 0.672 0.000 4.062) 4.117 2.310 ( -2.518 0.000 -6.144) 6.640 2.326 ( -0.599 0.000 1.744) 1.844 2.533 ( -1.408 0.000 12.222) 12.303 2.807 ( -6.085 0.000 21.174) 22.031 2.832 ( -4.330 0.000 19.703) 20.174 3.084 ( -0.553 0.000 -8.629) 8.647 3.137 ( -3.179 0.000 -0.001) 3.179 3.263 ( 5.782 0.000 -1.390) 5.947 3.473 ( -0.705 0.000 -7.012) 7.048 3.506 ( -4.106 0.000 5.349) 6.743 3.803 ( 2.684 0.000 8.346) 8.767 3.806 ( -1.674 0.000 -3.563) 3.936 4.086 ( 1.303 0.000 -4.779) 4.954 4.104 ( 4.938 0.000 -1.367) 5.124 4.322 ( 3.016 0.000 -5.367) 6.157 4.736 ( 0.049 0.000 4.893) 4.893 4.962 ( -1.422 0.000 8.330) 8.451 5.055 ( -0.610 0.000 11.840) 11.856 5.154 ( 0.849 0.000 -11.439) 11.470 5.357 ( 3.219 0.000 5.481) 6.356 5.676 ( -0.345 0.000 -3.764) 3.780 5.805 ( 1.221 0.000 -2.592) 2.865 6.040 ( -3.650 0.000 3.395) 4.985 6.202 ( -0.593 0.000 -1.272) 1.403 6.302 ( 8.709 0.000 3.338) 9.327 6.384 ( 0.583 0.000 -0.620) 0.851 6.497 ( 1.143 0.000 -8.771) 8.845 6.750 ( 4.307 0.000 1.120) 4.450 6.757 ( 2.889 0.000 -6.957) 7.533 7.004 ( 0.065 0.000 1.503) 1.505 7.085 ( -4.195 0.000 -3.931) 5.749 9.695 ( 1.168 0.000 -3.110) 3.322 9.696 ( -1.002 0.000 7.187) 7.256 9.780 ( 1.201 0.000 -2.450) 2.729 9.892 ( 3.522 0.000 3.567) 5.013 10.298 ( -0.323 0.000 -0.866) 0.924 10.407 ( 3.074 0.000 10.139) 10.595 10.644 ( -1.231 0.000 2.771) 3.033 10.661 ( -1.483 0.000 5.031) 5.245 11.225 ( -0.389 0.000 4.990) 5.005 11.453 ( -1.697 0.000 -1.642) 2.361 11.492 ( 0.018 0.000 2.659) 2.659 11.536 ( -0.344 0.000 2.861) 2.882 11.697 ( 3.409 0.000 -3.656) 4.998 11.920 ( -1.307 0.000 -7.790) 7.899 11.984 ( 2.566 0.000 -5.186) 5.786 12.244 ( -2.568 0.000 -18.430) 18.608 ======================= Grid point 76 (40/87) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( -2.765 0.000 9.035) 9.449 0.675 ( -7.086 0.000 13.770) 15.486 1.007 ( 3.182 0.000 -4.730) 5.701 1.010 ( 0.520 0.000 0.801) 0.955 1.115 ( -6.206 0.000 12.542) 13.993 1.252 ( -1.249 0.000 -4.972) 5.127 1.369 ( -0.009 0.000 1.398) 1.398 1.466 ( 0.900 0.000 0.401) 0.985 1.639 ( -3.455 0.000 -2.221) 4.107 1.677 ( 2.212 0.000 -1.464) 2.653 1.755 ( -3.154 0.000 6.022) 6.798 1.875 ( 0.424 0.000 -1.385) 1.449 1.914 ( 0.437 0.000 4.741) 4.761 2.264 ( 1.280 0.000 -5.104) 5.262 2.327 ( -0.064 0.000 1.121) 1.123 2.567 ( -2.663 0.000 13.032) 13.301 2.724 ( -9.083 0.000 15.388) 17.869 2.875 ( -4.721 0.000 19.829) 20.383 2.971 ( -4.152 0.000 -9.285) 10.171 3.146 ( 2.091 0.000 5.497) 5.881 3.340 ( 2.055 0.000 -2.907) 3.560 3.430 ( 1.158 0.000 -6.417) 6.520 3.472 ( -2.175 0.000 5.044) 5.493 3.763 ( -0.627 0.000 -1.949) 2.047 3.926 ( 3.777 0.000 8.207) 9.034 4.070 ( 0.160 0.000 -4.281) 4.284 4.177 ( 2.283 0.000 -2.829) 3.635 4.363 ( 3.347 0.000 -6.014) 6.882 4.768 ( 0.240 0.000 5.191) 5.196 4.985 ( -1.238 0.000 9.093) 9.177 5.088 ( -1.879 0.000 9.229) 9.418 5.118 ( 2.759 0.000 -12.422) 12.724 5.419 ( -0.113 0.000 0.790) 0.798 5.652 ( -0.531 0.000 -0.544) 0.760 5.811 ( 0.976 0.000 -2.284) 2.484 5.964 ( -4.553 0.000 2.248) 5.078 6.167 ( -2.351 0.000 -2.356) 3.328 6.384 ( 0.356 0.000 -1.332) 1.378 6.466 ( 1.164 0.000 -9.665) 9.734 6.481 ( 5.022 0.000 -3.723) 6.252 6.811 ( 1.297 0.000 0.107) 1.301 6.821 ( 6.031 0.000 -4.045) 7.262 7.019 ( 0.633 0.000 2.979) 3.045 7.019 ( 0.301 0.000 1.933) 1.957 9.712 ( 1.985 0.000 -2.815) 3.444 9.718 ( -1.050 0.000 7.245) 7.321 9.791 ( 0.934 0.000 -1.850) 2.072 10.010 ( 7.019 0.000 -2.455) 7.436 10.279 ( -1.097 0.000 -0.721) 1.313 10.578 ( 7.146 0.000 10.124) 12.392 10.630 ( -1.916 0.000 4.578) 4.963 10.662 ( -0.990 0.000 3.863) 3.988 11.253 ( 0.760 0.000 3.853) 3.928 11.407 ( -2.226 0.000 -0.503) 2.282 11.510 ( 0.186 0.000 2.655) 2.662 11.537 ( -1.004 0.000 2.125) 2.351 11.760 ( 4.567 0.000 -3.847) 5.972 11.830 ( -3.037 0.000 -7.973) 8.532 12.006 ( 2.340 0.000 -5.155) 5.661 12.029 ( -8.178 0.000 -14.094) 16.295 ======================= Grid point 77 (41/87) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( -0.104 0.202 9.562) 9.564 0.774 ( 0.106 5.067 14.612) 15.466 0.994 ( 0.572 -3.710 0.474) 3.784 1.052 ( -4.603 2.966 7.439) 9.237 1.072 ( 0.978 2.941 -1.902) 3.637 1.242 ( 3.437 -1.223 -5.986) 7.010 1.334 ( -0.917 -5.248 2.855) 6.044 1.433 ( -0.893 0.553 1.857) 2.134 1.607 ( -1.835 1.310 -1.038) 2.482 1.684 ( -0.680 -3.096 0.801) 3.270 1.830 ( 1.002 1.730 1.495) 2.496 1.873 ( 0.248 2.299 -0.548) 2.377 1.960 ( 0.125 3.829 3.043) 4.892 2.290 ( -1.152 -2.511 1.434) 3.112 2.419 ( 3.990 9.600 -5.022) 11.545 2.558 ( -7.188 2.071 18.930) 20.354 2.711 ( -5.814 0.650 17.840) 18.775 2.840 ( -1.399 -2.405 -0.720) 2.874 2.889 ( -1.490 3.334 3.866) 5.318 3.204 ( 1.303 -2.604 3.298) 4.399 3.380 ( 0.012 4.871 -5.326) 7.217 3.483 ( 3.510 1.774 -5.906) 7.095 3.496 ( -0.431 2.102 5.707) 6.097 3.804 ( -0.515 5.324 0.381) 5.362 3.902 ( -0.653 -7.358 6.993) 10.172 4.098 ( 0.164 1.587 -4.830) 5.087 4.169 ( 0.703 0.822 -2.247) 2.494 4.352 ( 1.537 -2.055 -7.012) 7.467 4.792 ( -2.190 0.891 9.302) 9.598 5.009 ( -3.592 -2.400 10.673) 11.514 5.125 ( -1.107 5.145 1.671) 5.522 5.148 ( 3.962 1.639 -8.785) 9.775 5.363 ( -6.187 5.131 -1.847) 8.247 5.670 ( 2.565 -2.670 5.164) 6.354 5.887 ( -2.187 4.031 -2.420) 5.186 5.944 ( 1.975 5.320 0.350) 5.685 6.124 ( -1.630 2.235 -3.001) 4.082 6.294 ( -3.253 -7.322 -4.631) 9.254 6.366 ( 1.126 -2.799 -2.949) 4.219 6.482 ( -0.663 -0.371 -7.203) 7.243 6.810 ( -2.856 1.369 -0.837) 3.276 6.891 ( 3.705 -1.823 -1.796) 4.503 6.987 ( 3.637 -4.692 2.557) 6.464 7.090 ( 3.777 -4.846 0.360) 6.154 9.736 ( 0.197 0.621 1.329) 1.480 9.755 ( 0.216 1.714 3.383) 3.798 9.789 ( 0.440 -0.515 -1.851) 1.971 10.043 ( 2.080 -5.731 -2.006) 6.418 10.254 ( -1.065 0.140 0.505) 1.187 10.401 ( -5.600 -10.119 8.374) 14.279 10.629 ( -1.887 0.645 5.327) 5.688 10.681 ( -1.918 -0.213 3.814) 4.274 11.294 ( -0.135 0.602 2.353) 2.432 11.388 ( -0.259 -1.672 -0.507) 1.766 11.562 ( -1.237 4.585 0.806) 4.817 11.671 ( -4.275 9.100 -2.726) 10.417 11.770 ( 2.725 0.807 -2.419) 3.732 11.866 ( 0.351 -0.438 -8.356) 8.375 11.889 ( 9.916 0.565 -7.321) 12.339 12.013 ( 1.414 -0.534 -5.300) 5.511 ======================= Grid point 78 (42/87) ======================= q-point: ( 0.14 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 3.378 -0.268 7.454) 8.188 0.855 ( -0.205 2.989 14.073) 14.388 0.991 ( -0.853 -0.725 1.086) 1.559 1.050 ( 1.672 3.833 2.713) 4.985 1.086 ( 2.116 1.112 -4.519) 5.112 1.292 ( 3.510 -3.341 -2.667) 5.531 1.344 ( -0.006 -4.881 3.147) 5.808 1.413 ( -1.615 0.667 0.295) 1.772 1.557 ( -2.405 0.963 -0.181) 2.597 1.675 ( -0.517 -2.164 0.912) 2.405 1.841 ( -0.922 0.372 -0.867) 1.319 1.913 ( 3.973 4.726 2.639) 6.715 1.969 ( -0.917 1.024 3.510) 3.769 2.269 ( -1.476 -2.736 0.078) 3.109 2.442 ( 2.151 10.104 -10.493) 14.724 2.538 ( -6.792 2.606 26.972) 27.936 2.703 ( -5.271 -1.154 19.526) 20.258 2.822 ( -1.238 -1.476 2.969) 3.539 2.939 ( 5.015 2.621 -0.531) 5.683 3.210 ( -0.966 -1.956 -1.698) 2.765 3.352 ( -0.263 6.025 -5.810) 8.374 3.523 ( 3.447 0.193 -3.305) 4.779 3.546 ( 1.104 0.735 4.406) 4.601 3.766 ( -2.230 4.666 1.662) 5.432 3.891 ( -3.680 -4.210 3.657) 6.682 4.098 ( 2.220 0.616 -3.089) 3.854 4.161 ( -0.763 2.412 -1.235) 2.815 4.334 ( 0.960 -1.573 -6.810) 7.055 4.788 ( -3.139 0.459 8.814) 9.367 4.972 ( -5.831 -2.734 11.218) 12.936 5.095 ( -2.760 5.541 2.450) 6.657 5.165 ( 1.296 1.372 -5.528) 5.841 5.271 ( -1.218 7.849 -1.345) 8.057 5.752 ( 2.255 -3.503 4.663) 6.253 5.838 ( -1.757 2.798 -2.268) 4.007 5.982 ( 1.044 3.894 1.226) 4.213 6.115 ( 1.606 2.834 -1.016) 3.412 6.200 ( -2.528 -6.222 -3.297) 7.482 6.372 ( 0.946 -2.551 -2.557) 3.734 6.445 ( 0.735 -0.473 -7.696) 7.746 6.717 ( -5.253 1.415 -1.400) 5.617 6.902 ( -0.868 -1.339 -2.189) 2.709 7.059 ( 2.116 -3.468 1.831) 4.456 7.154 ( 2.387 -7.036 -1.772) 7.638 9.742 ( -0.696 0.569 3.214) 3.337 9.771 ( -0.077 1.621 1.256) 2.052 9.784 ( 0.338 -0.378 -2.248) 2.304 10.002 ( -5.583 -4.404 2.253) 7.460 10.253 ( 0.436 0.141 0.820) 0.939 10.332 ( -3.865 -3.523 5.023) 7.251 10.624 ( -1.459 0.602 4.884) 5.133 10.670 ( -1.176 -0.231 4.186) 4.355 11.284 ( -2.142 0.861 2.850) 3.668 11.393 ( 1.243 -1.658 -0.708) 2.189 11.523 ( -2.581 3.955 1.394) 4.924 11.607 ( -1.859 4.497 1.724) 5.162 11.731 ( -2.176 -0.931 -4.082) 4.719 11.869 ( 1.685 -2.963 -5.196) 6.214 12.036 ( 4.215 1.949 -7.112) 8.494 12.089 ( 12.378 0.014 -12.225) 17.398 ======================= Grid point 79 (43/87) ======================= q-point: ( 0.29 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 2.333 0.733 4.007) 4.694 0.921 ( 0.816 0.908 9.150) 9.232 0.981 ( -0.564 3.591 0.421) 3.659 1.106 ( 2.049 -0.536 -3.938) 4.471 1.119 ( 3.663 2.754 -0.690) 4.634 1.339 ( 0.491 -5.784 0.303) 5.812 1.353 ( -0.299 -1.807 2.121) 2.802 1.371 ( -1.416 -1.011 -0.147) 1.746 1.550 ( 2.052 -0.887 0.296) 2.255 1.666 ( -0.450 -1.927 -0.962) 2.200 1.805 ( -1.416 2.306 -1.836) 3.270 1.959 ( -1.791 -0.237 1.939) 2.650 2.019 ( 3.440 2.122 3.742) 5.508 2.242 ( -1.340 -2.234 1.711) 3.117 2.432 ( 2.459 10.333 -6.610) 12.510 2.549 ( -7.067 2.707 27.561) 28.581 2.722 ( -1.994 -1.443 12.234) 12.479 2.810 ( -2.991 -1.684 7.849) 8.567 3.037 ( 4.049 1.504 -0.406) 4.338 3.183 ( 0.685 3.550 -3.331) 4.916 3.295 ( -2.545 5.523 -3.986) 7.271 3.538 ( 0.789 0.390 -6.481) 6.540 3.588 ( 0.897 -1.816 4.033) 4.513 3.776 ( 0.187 1.087 5.505) 5.615 3.829 ( -2.760 -0.443 1.267) 3.069 4.108 ( -0.080 2.711 -4.191) 4.992 4.138 ( -0.585 0.555 -0.326) 0.869 4.326 ( 1.590 -1.959 -6.196) 6.690 4.768 ( -3.243 0.993 7.839) 8.541 4.923 ( -4.950 -2.200 12.070) 13.230 5.052 ( -3.312 4.717 4.394) 7.247 5.155 ( 0.741 1.576 -3.821) 4.199 5.272 ( 1.607 7.762 -2.814) 8.411 5.791 ( -0.486 -1.929 2.926) 3.538 5.795 ( -1.172 2.959 -1.957) 3.736 5.987 ( -1.551 1.515 1.548) 2.664 6.130 ( 1.363 -3.254 0.530) 3.567 6.213 ( 2.562 -2.310 -0.429) 3.476 6.377 ( 1.186 -1.408 -2.387) 3.015 6.421 ( 1.283 -0.744 -8.129) 8.263 6.615 ( -3.304 2.640 -1.870) 4.624 6.858 ( -1.835 -1.661 -2.609) 3.596 7.076 ( -0.944 -3.659 0.088) 3.780 7.167 ( 0.403 -6.699 -2.486) 7.156 9.743 ( -0.491 0.137 1.035) 1.154 9.763 ( -1.111 0.755 1.436) 1.967 9.782 ( 0.161 0.235 -1.188) 1.222 9.891 ( -6.702 -1.796 5.037) 8.574 10.270 ( 0.543 0.124 1.323) 1.435 10.307 ( -0.979 -0.979 2.410) 2.780 10.624 ( -0.846 0.679 3.743) 3.897 10.674 ( -0.973 -0.479 4.715) 4.838 11.255 ( -2.522 1.358 4.347) 5.206 11.415 ( 0.889 -3.292 -0.585) 3.460 11.499 ( -0.772 2.166 2.190) 3.176 11.585 ( -1.279 3.483 0.810) 3.798 11.676 ( -1.120 -0.904 -3.168) 3.479 11.864 ( 0.424 -5.228 -3.587) 6.354 12.078 ( 4.051 4.704 -8.627) 10.628 12.230 ( 9.167 -0.954 -14.332) 17.040 ======================= Grid point 80 (44/87) ======================= q-point: ( 0.43 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -1.113 1.418 1.754) 2.515 0.968 ( -1.085 5.298 1.162) 5.532 0.992 ( 2.187 -0.945 3.630) 4.342 1.103 ( -0.889 -0.105 -1.857) 2.062 1.159 ( 0.763 1.817 -2.974) 3.568 1.302 ( -1.541 0.791 1.484) 2.281 1.363 ( -0.118 -5.575 -0.936) 5.654 1.393 ( 1.167 -3.406 2.476) 4.369 1.608 ( 2.791 -2.717 -1.283) 4.101 1.667 ( 2.314 -2.206 -1.812) 3.675 1.778 ( -0.163 2.259 -1.355) 2.639 1.913 ( -3.519 -0.563 0.751) 3.642 2.039 ( -2.526 3.490 0.580) 4.347 2.246 ( 0.118 -2.393 3.906) 4.582 2.480 ( 3.791 9.893 -1.573) 10.710 2.561 ( -6.671 2.360 25.988) 26.934 2.718 ( -0.453 0.379 -3.026) 3.083 2.816 ( -4.463 -3.134 22.142) 22.804 3.085 ( 1.426 1.143 -0.628) 1.932 3.212 ( 3.546 11.808 -3.936) 12.942 3.234 ( -1.632 -0.430 -0.118) 1.692 3.522 ( 0.598 0.341 -4.455) 4.507 3.598 ( -1.450 -1.810 1.577) 2.805 3.761 ( -3.180 -5.035 4.480) 7.452 3.840 ( 1.486 5.105 1.494) 5.522 4.081 ( -0.259 4.109 -2.407) 4.769 4.107 ( -1.347 -0.852 -4.201) 4.493 4.318 ( 0.827 -2.542 -6.071) 6.634 4.749 ( -2.485 1.813 6.137) 6.865 4.917 ( -2.643 -2.340 13.557) 14.009 5.016 ( -2.733 4.077 5.234) 7.176 5.160 ( 2.154 0.464 -5.152) 5.604 5.295 ( 1.758 7.880 -0.718) 8.106 5.754 ( -2.386 -1.120 -0.935) 2.797 5.797 ( 0.999 3.154 -0.093) 3.309 5.976 ( -0.205 0.872 3.576) 3.687 6.164 ( 0.310 -4.863 1.745) 5.176 6.227 ( -0.592 -3.456 -0.792) 3.594 6.384 ( 0.898 0.763 -4.512) 4.663 6.436 ( 4.246 -1.043 -5.892) 7.337 6.592 ( 1.828 3.177 -0.643) 3.721 6.809 ( -1.358 -1.578 -3.573) 4.136 7.032 ( -2.755 -3.648 -1.270) 4.745 7.148 ( -0.810 -6.675 -3.181) 7.438 9.728 ( -0.322 0.443 -3.079) 3.128 9.746 ( -3.288 0.544 6.259) 7.091 9.773 ( 0.113 -0.322 -2.727) 2.748 9.816 ( -2.867 -0.870 4.933) 5.772 10.287 ( 0.334 0.190 1.961) 1.998 10.310 ( -0.091 -0.368 2.178) 2.211 10.632 ( -0.252 0.655 3.062) 3.141 10.677 ( -1.396 -0.406 4.729) 4.947 11.235 ( -2.042 1.563 5.309) 5.899 11.418 ( -0.357 -3.972 0.429) 4.011 11.509 ( 0.171 1.243 2.402) 2.710 11.568 ( -0.183 2.963 -0.939) 3.113 11.653 ( 0.085 -0.577 -1.962) 2.047 11.852 ( 0.339 -5.723 -3.370) 6.650 12.099 ( 2.931 5.900 -9.176) 11.297 12.303 ( 6.266 -1.385 -15.138) 16.442 ======================= Grid point 81 (45/87) ======================= q-point: (-0.43 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -4.475 2.670 1.203) 5.348 0.958 ( -0.380 3.376 1.528) 3.725 1.006 ( -2.924 -1.287 -0.186) 3.200 1.064 ( -2.836 0.950 0.499) 3.033 1.123 ( -1.664 0.952 -0.649) 2.024 1.311 ( 0.931 -0.345 2.228) 2.439 1.350 ( -0.320 -3.486 -1.434) 3.783 1.410 ( 0.154 -2.993 -0.315) 3.013 1.639 ( 0.954 -0.969 -0.454) 1.433 1.715 ( 2.041 -2.630 -2.371) 4.087 1.798 ( 2.678 0.291 -0.849) 2.824 1.849 ( -2.389 -1.250 1.221) 2.960 1.964 ( -4.407 6.514 0.561) 7.885 2.273 ( 0.362 -2.637 3.171) 4.140 2.498 ( -1.825 7.269 -3.330) 8.201 2.562 ( -4.460 4.711 18.346) 19.460 2.734 ( 0.090 0.435 10.768) 10.777 2.843 ( -4.164 -1.891 18.270) 18.834 3.090 ( -0.170 -0.015 -2.159) 2.166 3.195 ( -2.167 0.265 0.290) 2.203 3.302 ( 6.294 11.408 -3.094) 13.391 3.499 ( -1.383 -0.468 -2.049) 2.516 3.565 ( -2.038 -0.773 1.114) 2.448 3.727 ( -2.252 -2.654 4.048) 5.339 3.870 ( 0.671 3.199 0.544) 3.313 4.050 ( -0.520 -0.788 -2.589) 2.756 4.093 ( 2.323 2.696 -4.708) 5.901 4.296 ( 0.473 -2.512 -5.809) 6.347 4.741 ( -1.626 2.146 6.389) 6.933 4.953 ( -1.365 -2.467 12.384) 12.701 5.010 ( -0.710 3.644 6.298) 7.310 5.173 ( 2.155 -0.381 -7.329) 7.649 5.338 ( 2.225 6.744 2.352) 7.481 5.700 ( -1.928 -1.075 -2.140) 3.075 5.830 ( 2.459 4.285 -1.475) 5.156 6.013 ( 0.462 -1.160 6.400) 6.521 6.164 ( 0.157 -3.874 0.962) 3.995 6.210 ( 0.151 -2.438 -1.826) 3.050 6.383 ( 1.239 1.322 -3.190) 3.669 6.485 ( 3.602 -1.090 -6.759) 7.736 6.663 ( 4.342 1.837 0.927) 4.805 6.767 ( -0.260 -0.641 -5.378) 5.422 6.976 ( -1.842 -3.553 -0.675) 4.059 7.100 ( -2.048 -6.848 -3.863) 8.124 9.707 ( -0.465 0.739 -1.462) 1.703 9.709 ( -2.476 0.996 4.770) 5.466 9.767 ( 0.858 -0.716 -3.101) 3.297 9.819 ( -0.202 -1.502 5.211) 5.427 10.301 ( 0.195 0.175 0.717) 0.763 10.328 ( 0.204 -0.570 4.435) 4.476 10.645 ( -0.124 0.495 2.918) 2.962 10.670 ( -1.819 -0.130 4.764) 5.101 11.231 ( -1.222 1.681 5.231) 5.629 11.411 ( -0.603 -3.896 0.600) 3.988 11.524 ( -0.042 1.427 2.901) 3.233 11.568 ( 0.580 3.268 -1.116) 3.502 11.656 ( 1.424 -0.743 -2.038) 2.595 11.843 ( 0.678 -5.787 -3.564) 6.830 12.095 ( 1.698 6.081 -9.193) 11.152 12.313 ( 3.031 -1.519 -15.991) 16.346 ======================= Grid point 82 (46/87) ======================= q-point: (-0.29 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -5.453 2.958 3.601) 7.174 0.868 ( -9.528 3.596 2.983) 10.611 0.966 ( -0.386 -1.147 0.730) 1.413 1.027 ( 0.277 2.463 0.168) 2.484 1.112 ( -0.971 -0.990 3.103) 3.398 1.314 ( -1.283 -3.665 -2.048) 4.389 1.354 ( 0.419 0.704 1.127) 1.394 1.411 ( 0.008 -1.992 1.020) 2.238 1.650 ( 0.580 -0.897 0.703) 1.279 1.699 ( -1.449 -1.502 -2.942) 3.607 1.837 ( 0.089 -1.332 0.790) 1.551 1.853 ( 1.281 -2.018 0.479) 2.438 1.903 ( -1.369 8.893 2.040) 9.227 2.293 ( 0.674 -2.140 0.991) 2.453 2.421 ( -2.806 8.469 -3.865) 9.723 2.572 ( -4.379 3.421 17.512) 18.373 2.792 ( -4.059 -1.637 19.329) 19.818 2.853 ( -2.242 1.461 10.665) 10.995 3.048 ( -2.326 -1.347 -5.330) 5.969 3.147 ( -2.502 0.939 1.700) 3.167 3.400 ( 4.712 8.723 -3.956) 10.674 3.452 ( -1.913 1.329 -0.754) 2.448 3.534 ( -1.739 0.767 0.317) 1.927 3.732 ( 0.593 -3.413 3.965) 5.265 3.863 ( -0.996 2.628 0.921) 2.958 4.080 ( 3.665 -2.001 -1.511) 4.441 4.113 ( 2.048 2.157 -4.243) 5.181 4.296 ( 2.956 -2.476 -5.589) 6.790 4.753 ( -1.171 2.023 8.180) 8.508 4.984 ( -1.273 -0.744 9.290) 9.406 5.053 ( 0.817 1.868 7.082) 7.370 5.161 ( 1.285 0.788 -9.040) 9.165 5.403 ( 2.379 4.376 3.216) 5.929 5.657 ( -1.114 -1.446 -2.542) 3.129 5.869 ( 2.525 5.943 -2.886) 7.073 6.023 ( -2.426 -1.307 3.540) 4.486 6.188 ( 0.698 -1.970 -0.724) 2.212 6.255 ( 5.350 -4.169 1.035) 6.861 6.387 ( -0.056 0.598 -1.363) 1.490 6.505 ( 2.854 0.206 -7.922) 8.423 6.726 ( 2.906 -1.483 -4.735) 5.750 6.779 ( 3.513 1.543 -0.795) 3.918 6.944 ( -2.070 -5.313 -0.175) 5.705 7.039 ( -1.438 -4.328 -1.992) 4.976 9.702 ( 0.950 0.730 -2.196) 2.502 9.707 ( -0.790 1.080 6.259) 6.400 9.773 ( 1.192 -0.719 -2.383) 2.759 9.863 ( 2.195 -2.694 4.738) 5.876 10.299 ( -0.461 0.132 -0.517) 0.705 10.369 ( 0.610 -2.818 7.319) 7.867 10.654 ( -1.279 0.610 3.697) 3.959 10.663 ( -0.906 0.171 4.614) 4.705 11.244 ( -0.093 1.732 4.355) 4.688 11.401 ( -0.608 -3.330 0.238) 3.394 11.544 ( 0.742 3.376 2.708) 4.390 11.576 ( 0.577 3.435 -0.153) 3.487 11.690 ( 3.408 -0.735 -2.920) 4.548 11.835 ( 0.445 -5.170 -4.224) 6.691 12.069 ( 0.635 5.060 -8.535) 9.943 12.236 ( -2.171 -0.839 -16.917) 17.076 ======================= Grid point 83 (47/87) ======================= q-point: (-0.14 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -3.997 2.145 6.994) 8.336 0.740 ( -5.585 5.882 11.908) 14.408 0.971 ( 1.357 -3.382 -1.260) 3.856 1.053 ( 1.047 2.786 1.300) 3.248 1.105 ( -2.899 -0.728 6.441) 7.101 1.254 ( -1.689 0.254 -5.650) 5.903 1.348 ( -1.244 -3.201 1.032) 3.586 1.426 ( 0.133 -0.417 2.939) 2.971 1.649 ( -1.728 -0.050 -1.977) 2.626 1.677 ( 1.069 -2.372 0.421) 2.635 1.821 ( -1.031 2.365 1.540) 3.004 1.871 ( 0.196 -1.187 0.494) 1.300 1.928 ( 1.536 5.919 2.021) 6.440 2.303 ( -0.698 -2.378 1.378) 2.836 2.380 ( 1.129 9.953 -2.750) 10.387 2.578 ( -4.250 1.313 15.462) 16.089 2.759 ( -7.922 1.159 16.790) 18.601 2.867 ( -2.356 -0.641 7.930) 8.298 2.949 ( -4.141 0.244 -3.611) 5.500 3.149 ( 0.879 0.453 5.102) 5.197 3.410 ( -0.659 0.644 -2.607) 2.765 3.453 ( 2.637 6.716 -5.565) 9.112 3.502 ( -1.712 2.238 1.830) 3.360 3.775 ( 2.038 0.473 0.994) 2.316 3.873 ( -0.272 -3.135 6.403) 7.135 4.106 ( 1.451 2.137 -4.286) 5.004 4.155 ( 2.461 -1.579 -2.377) 3.769 4.336 ( 3.596 -2.647 -6.232) 7.666 4.777 ( -1.452 1.620 9.428) 9.676 5.006 ( -1.957 -1.185 10.066) 10.323 5.103 ( 1.455 2.809 2.619) 4.107 5.140 ( 1.739 2.399 -8.548) 9.048 5.444 ( -0.048 2.540 -0.412) 2.574 5.630 ( -0.599 -1.774 0.850) 2.056 5.900 ( 2.401 8.008 -3.385) 9.020 5.967 ( -3.942 0.831 0.695) 4.088 6.177 ( -1.202 0.549 -2.487) 2.816 6.339 ( 1.909 -7.697 -3.911) 8.842 6.367 ( -0.319 -1.609 -1.927) 2.530 6.526 ( 2.139 0.186 -7.808) 8.098 6.788 ( 5.384 -2.285 -2.716) 6.448 6.832 ( 1.800 1.195 -0.431) 2.203 6.911 ( 0.353 -6.177 2.659) 6.734 7.039 ( 1.068 -1.715 0.857) 2.195 9.718 ( 1.676 0.660 -2.137) 2.795 9.732 ( -0.616 1.328 6.774) 6.930 9.784 ( 0.992 -0.646 -1.850) 2.196 9.960 ( 5.269 -4.824 1.404) 7.280 10.279 ( -1.159 0.067 -0.533) 1.278 10.418 ( -0.841 -8.771 8.956) 12.563 10.641 ( -2.102 0.581 5.076) 5.525 10.681 ( -0.154 0.114 4.166) 4.171 11.272 ( 0.659 1.268 3.071) 3.387 11.393 ( -0.175 -2.364 0.028) 2.371 11.569 ( 0.071 4.630 0.643) 4.675 11.621 ( 5.136 6.699 0.493) 8.456 11.754 ( 3.718 -0.810 -3.017) 4.856 11.810 ( 0.377 -1.803 -6.444) 6.702 12.031 ( -1.635 2.173 -8.701) 9.116 12.042 ( -6.405 1.144 -12.087) 13.727 ======================= Grid point 84 (48/87) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( -0.107 8.963 3.488) 9.619 0.845 ( -0.339 -4.012 3.732) 5.490 0.926 ( 0.792 2.372 6.537) 6.999 1.032 ( -1.427 -4.964 6.988) 8.690 1.116 ( -0.120 2.548 1.086) 2.772 1.185 ( 1.223 -4.417 -1.143) 4.724 1.361 ( -0.883 7.122 -1.068) 7.255 1.454 ( -1.016 -0.557 2.152) 2.444 1.600 ( -0.893 -1.400 -1.964) 2.572 1.607 ( -0.035 -3.491 -2.376) 4.223 1.833 ( 0.468 0.625 2.256) 2.388 1.861 ( 1.393 -1.942 2.836) 3.709 2.101 ( -0.733 7.419 0.070) 7.455 2.219 ( -1.288 -4.802 0.976) 5.067 2.582 ( -4.390 5.244 20.650) 21.753 2.622 ( -0.441 3.903 3.420) 5.208 2.685 ( -6.036 -1.151 14.699) 15.932 2.765 ( 1.510 -5.127 -8.090) 9.696 3.018 ( -1.815 7.839 2.668) 8.477 3.140 ( -0.845 -4.478 2.129) 5.030 3.463 ( 1.845 3.341 -5.399) 6.612 3.500 ( 2.131 -0.468 -6.123) 6.500 3.572 ( -1.419 6.355 7.798) 10.159 3.732 ( -1.911 -9.127 8.571) 12.665 3.943 ( 1.623 7.386 -0.489) 7.578 4.064 ( 0.738 -4.592 -2.831) 5.445 4.221 ( 1.945 3.802 -4.496) 6.201 4.295 ( 2.002 -3.596 -6.197) 7.440 4.843 ( -3.637 4.026 12.111) 13.271 4.933 ( -4.110 -4.787 12.170) 13.708 5.189 ( 2.479 2.253 -6.309) 7.144 5.204 ( 1.083 1.458 -2.430) 3.034 5.480 ( -2.210 6.716 -0.377) 7.081 5.598 ( 0.751 -4.857 3.065) 5.792 5.949 ( -1.744 4.437 -1.985) 5.165 6.064 ( -1.088 -4.419 -2.844) 5.367 6.148 ( 1.773 6.762 -6.739) 9.709 6.261 ( -1.388 5.842 -1.989) 6.325 6.280 ( -0.175 -5.484 -3.479) 6.497 6.413 ( -1.171 -6.687 -4.058) 7.910 6.856 ( 0.711 2.150 -0.793) 2.400 6.869 ( 1.382 1.165 -0.652) 1.921 6.901 ( 5.397 -2.920 0.891) 6.200 6.973 ( 0.084 -6.357 -1.057) 6.445 9.752 ( 0.879 0.992 -1.285) 1.846 9.771 ( 0.784 -0.865 -1.411) 1.831 9.810 ( -0.580 3.749 6.197) 7.266 9.910 ( -0.123 -6.516 5.837) 8.749 10.261 ( -0.981 0.684 0.804) 1.441 10.289 ( -1.758 -2.632 3.093) 4.425 10.646 ( -1.802 1.044 4.912) 5.335 10.667 ( -1.753 -1.018 4.404) 4.848 11.312 ( -0.214 1.325 1.741) 2.198 11.346 ( -0.186 -2.101 0.943) 2.310 11.646 ( -0.630 3.892 -0.374) 3.960 11.708 ( -0.947 -2.215 -1.410) 2.792 11.838 ( -1.196 2.270 -6.676) 7.152 11.857 ( 1.288 -0.459 -7.752) 7.871 11.929 ( 6.450 3.744 -6.674) 10.008 11.990 ( 1.968 -2.055 -5.784) 6.446 ======================= Grid point 85 (49/87) ======================= q-point: ( 0.14 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 3.656 7.080 3.744) 8.804 0.877 ( 1.065 -4.432 3.545) 5.775 0.981 ( 1.151 2.967 7.231) 7.901 1.056 ( 0.901 -2.176 4.591) 5.160 1.124 ( -0.123 1.639 2.225) 2.766 1.201 ( 0.833 -5.541 -1.329) 5.759 1.345 ( -0.136 5.604 -1.601) 5.830 1.429 ( -1.995 -0.964 0.442) 2.259 1.561 ( -1.250 0.050 -2.439) 2.741 1.599 ( 0.640 -4.291 -3.251) 5.421 1.862 ( 0.786 2.113 2.121) 3.095 1.911 ( 1.722 -2.425 2.541) 3.912 2.078 ( -1.457 6.941 1.814) 7.321 2.195 ( -1.604 -4.914 1.220) 5.311 2.593 ( -6.482 3.583 23.021) 24.183 2.638 ( 2.640 8.095 -6.718) 10.846 2.659 ( -6.612 -2.998 23.597) 24.689 2.763 ( 1.412 -4.674 -4.832) 6.869 3.033 ( 2.057 6.124 1.452) 6.621 3.142 ( 0.476 -4.735 0.635) 4.801 3.466 ( 1.929 4.558 -6.642) 8.283 3.518 ( 2.909 -1.148 -5.994) 6.761 3.589 ( -1.819 4.479 7.170) 8.647 3.711 ( -3.817 -7.023 6.523) 10.317 3.961 ( 0.245 7.269 -1.046) 7.348 4.071 ( 1.329 -3.617 -1.413) 4.105 4.220 ( 0.315 3.537 -3.908) 5.281 4.287 ( 0.787 -3.141 -5.732) 6.583 4.827 ( -4.309 3.339 11.606) 12.823 4.903 ( -5.154 -4.117 11.696) 13.428 5.185 ( -0.443 2.701 -3.478) 4.426 5.196 ( 0.206 1.167 -3.908) 4.083 5.455 ( -0.050 10.525 0.234) 10.528 5.644 ( 1.944 -7.962 2.789) 8.658 5.916 ( -0.326 5.321 -2.388) 5.842 6.030 ( -0.539 -4.309 -3.214) 5.402 6.121 ( -2.604 3.043 -0.466) 4.032 6.183 ( -3.402 1.402 1.155) 3.857 6.312 ( 3.577 -0.535 -5.258) 6.382 6.393 ( 1.541 -4.803 -6.209) 8.000 6.781 ( -4.152 4.949 -1.833) 6.715 6.871 ( -2.375 -2.644 -1.305) 3.787 6.988 ( 2.562 -2.888 -0.083) 3.861 7.007 ( 2.832 -5.687 -0.469) 6.370 9.756 ( 0.062 0.822 -0.530) 0.979 9.772 ( 0.237 -0.735 -1.928) 2.076 9.821 ( -1.649 3.397 5.435) 6.618 9.903 ( -3.590 -5.018 5.961) 8.580 10.260 ( 0.290 0.651 0.832) 1.095 10.281 ( -0.459 -1.687 1.898) 2.580 10.640 ( -1.408 0.961 4.713) 5.012 10.658 ( -1.373 -0.856 4.469) 4.752 11.308 ( -1.165 1.653 1.922) 2.790 11.348 ( -0.065 -2.399 0.788) 2.525 11.610 ( -2.667 4.075 -1.438) 5.078 11.665 ( -2.240 -0.596 -1.766) 2.914 11.731 ( -3.185 2.672 -1.772) 4.519 11.802 ( -1.855 -3.750 -2.781) 5.023 12.069 ( 7.626 1.307 -8.936) 11.820 12.086 ( 10.163 -0.414 -10.530) 14.640 ======================= Grid point 86 (50/87) ======================= q-point: ( 0.29 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 2.749 5.228 1.747) 6.160 0.914 ( 1.248 -2.481 2.057) 3.456 1.049 ( 1.593 3.655 5.023) 6.414 1.100 ( 1.770 -0.081 -2.395) 2.980 1.148 ( 0.544 -0.766 6.857) 6.921 1.201 ( -0.568 -6.173 1.492) 6.376 1.336 ( 0.423 3.052 -1.712) 3.525 1.394 ( -1.172 -0.523 -0.802) 1.513 1.540 ( 0.766 0.366 -3.291) 3.398 1.591 ( 0.530 -4.474 -4.114) 6.101 1.869 ( -0.888 3.720 0.298) 3.836 1.933 ( -0.915 -2.541 1.147) 2.934 2.086 ( 0.778 4.599 3.335) 5.734 2.177 ( -0.844 -4.300 2.081) 4.851 2.600 ( -3.938 4.680 18.917) 19.881 2.636 ( -2.345 5.942 7.405) 9.780 2.681 ( -2.217 -1.797 14.108) 14.394 2.757 ( -0.313 -4.029 -1.796) 4.422 3.092 ( 2.482 3.982 1.321) 4.875 3.167 ( 1.635 -3.120 0.616) 3.576 3.461 ( 0.975 7.699 -6.479) 10.109 3.543 ( 2.557 -1.217 -6.033) 6.665 3.573 ( -2.396 1.781 4.359) 5.283 3.669 ( -3.035 -6.717 4.312) 8.539 3.958 ( 0.079 8.060 -0.123) 8.061 4.085 ( 0.333 -4.365 -1.286) 4.563 4.196 ( -0.649 4.110 -2.996) 5.127 4.272 ( 0.582 -3.498 -4.838) 5.998 4.805 ( -3.838 2.793 10.997) 11.977 4.868 ( -4.449 -3.323 11.588) 12.850 5.144 ( -2.022 3.640 -1.040) 4.292 5.177 ( 0.222 0.080 -4.527) 4.533 5.470 ( 1.134 12.025 -0.113) 12.079 5.687 ( 0.925 -8.758 0.899) 8.852 5.904 ( 0.055 7.032 -1.253) 7.143 6.006 ( -0.532 -1.481 -1.490) 2.167 6.071 ( -2.476 -0.498 3.092) 3.992 6.138 ( -1.950 -5.303 0.859) 5.716 6.361 ( 4.057 0.772 -4.910) 6.416 6.395 ( 2.203 -1.902 -6.841) 7.434 6.699 ( -2.620 5.710 -1.571) 6.476 6.809 ( -2.582 -4.238 -1.397) 5.155 7.005 ( -0.285 -2.230 -1.637) 2.782 7.035 ( 0.325 -5.123 -1.309) 5.297 9.751 ( -0.200 0.567 -0.812) 1.011 9.762 ( -0.076 -0.523 -1.881) 1.954 9.805 ( -2.525 1.936 4.606) 5.598 9.849 ( -4.684 -2.386 5.611) 7.689 10.275 ( 0.577 0.465 1.169) 1.384 10.288 ( 0.176 -0.874 1.406) 1.664 10.641 ( -0.867 1.018 4.074) 4.288 10.661 ( -0.933 -0.902 4.424) 4.611 11.292 ( -1.639 2.462 2.952) 4.179 11.349 ( -0.504 -3.277 1.288) 3.557 11.555 ( -1.648 3.202 -0.577) 3.647 11.609 ( -1.834 -1.776 -2.376) 3.488 11.691 ( -0.981 3.293 0.126) 3.438 11.770 ( -0.698 -4.468 -1.119) 4.659 12.155 ( 6.180 3.154 -10.692) 12.746 12.203 ( 7.873 -1.875 -12.571) 14.951 ======================= Grid point 87 (51/87) ======================= q-point: ( 0.43 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -0.290 5.049 0.544) 5.087 0.950 ( 0.991 -3.656 1.047) 3.930 1.065 ( -1.182 3.687 0.378) 3.890 1.099 ( -0.562 -0.229 -2.098) 2.184 1.182 ( -0.634 0.104 2.908) 2.978 1.212 ( -0.398 -4.456 5.431) 7.036 1.354 ( 1.867 0.729 -1.383) 2.436 1.376 ( -0.104 1.070 -0.904) 1.405 1.553 ( 2.796 -1.370 -4.314) 5.320 1.594 ( 2.515 -4.251 -3.663) 6.150 1.839 ( -1.739 3.368 -0.581) 3.835 1.892 ( -3.153 -1.862 -0.237) 3.670 2.112 ( -0.271 3.973 2.342) 4.619 2.189 ( 0.312 -3.595 3.227) 4.841 2.625 ( -6.928 4.092 26.554) 27.746 2.643 ( -0.289 5.144 5.902) 7.834 2.716 ( 0.565 -1.079 3.211) 3.434 2.742 ( -0.955 -3.696 4.614) 5.989 3.131 ( 0.392 3.432 1.959) 3.971 3.196 ( 0.034 -2.740 1.551) 3.149 3.456 ( 2.508 9.855 -5.216) 11.429 3.544 ( -1.241 2.720 1.372) 3.289 3.556 ( 0.228 -2.614 -2.901) 3.911 3.650 ( -0.285 -6.225 1.722) 6.465 3.955 ( -0.689 6.307 0.656) 6.379 4.062 ( -1.934 -4.068 -1.305) 4.690 4.170 ( -0.004 4.677 -3.406) 5.786 4.255 ( 0.305 -3.902 -4.855) 6.236 4.796 ( -2.941 2.997 10.236) 11.064 4.860 ( -2.835 -3.366 12.145) 12.918 5.105 ( -1.237 4.256 -0.496) 4.459 5.161 ( 0.724 -1.238 -4.560) 4.780 5.488 ( 0.627 11.466 0.002) 11.483 5.684 ( -1.014 -7.032 -0.904) 7.162 5.911 ( 1.261 7.834 -0.286) 7.940 5.999 ( -0.085 1.511 1.263) 1.971 6.053 ( -1.211 -5.023 3.745) 6.382 6.116 ( -0.309 -7.292 -0.933) 7.358 6.402 ( 2.306 0.958 -5.040) 5.624 6.418 ( 3.853 -0.777 -5.769) 6.981 6.674 ( 0.823 5.140 -0.529) 5.232 6.767 ( -0.723 -3.376 -1.436) 3.739 6.967 ( -2.070 -1.639 -2.751) 3.813 7.009 ( -1.661 -5.845 -2.601) 6.609 9.740 ( 0.049 0.719 -2.798) 2.889 9.752 ( -0.280 -0.298 -0.485) 0.635 9.773 ( -2.976 0.696 3.624) 4.741 9.795 ( -3.299 -1.250 5.589) 6.609 10.293 ( 0.421 0.381 1.657) 1.752 10.302 ( 0.313 -0.466 1.598) 1.694 10.648 ( -0.583 0.932 3.580) 3.745 10.665 ( -1.016 -0.781 4.204) 4.395 11.279 ( -1.486 2.855 3.827) 5.001 11.343 ( -0.884 -3.667 2.027) 4.282 11.541 ( 0.115 2.012 0.374) 2.050 11.580 ( 0.205 -1.585 -1.962) 2.531 11.678 ( -0.460 3.261 -0.099) 3.295 11.754 ( -0.265 -4.397 -1.321) 4.599 12.198 ( 4.209 4.184 -11.463) 12.908 12.263 ( 5.369 -2.661 -13.432) 14.708 ======================= Grid point 88 (52/87) ======================= q-point: (-0.43 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -2.921 6.043 0.695) 6.748 0.944 ( -2.208 -4.873 1.316) 5.510 1.032 ( -1.967 2.899 -0.098) 3.505 1.066 ( -1.742 -0.365 -0.521) 1.855 1.154 ( -2.515 1.956 0.231) 3.194 1.219 ( -0.983 -5.183 1.627) 5.521 1.372 ( 0.734 1.795 -0.613) 2.034 1.387 ( 1.121 0.761 0.627) 1.493 1.605 ( 3.342 -1.219 -2.775) 4.512 1.638 ( 2.908 -4.192 -3.266) 6.057 1.811 ( -0.352 0.897 -0.477) 1.075 1.828 ( -2.344 -0.912 -0.209) 2.524 2.101 ( -1.652 6.679 1.583) 7.060 2.209 ( -0.015 -4.335 2.644) 5.078 2.619 ( -3.599 5.290 9.444) 11.407 2.652 ( -7.320 2.637 25.333) 26.501 2.739 ( 0.840 0.199 2.046) 2.221 2.781 ( 2.096 -4.136 1.216) 4.794 3.128 ( -1.761 3.482 2.707) 4.749 3.183 ( -1.884 -1.642 2.093) 3.260 3.474 ( -0.682 2.949 -1.816) 3.530 3.523 ( -2.196 -2.355 1.973) 3.776 3.560 ( 3.442 7.379 -2.622) 8.554 3.673 ( 1.572 -3.595 -0.269) 3.933 3.941 ( -1.056 3.955 0.873) 4.185 4.012 ( -1.628 -2.994 -0.651) 3.469 4.162 ( 1.279 3.908 -4.478) 6.080 4.235 ( 0.685 -3.550 -5.247) 6.372 4.800 ( -2.246 3.843 10.413) 11.324 4.882 ( -1.814 -4.331 12.463) 13.318 5.095 ( 0.642 4.312 -0.557) 4.395 5.158 ( 1.533 -1.847 -4.852) 5.414 5.499 ( 0.389 9.250 0.688) 9.284 5.650 ( -1.508 -5.100 -1.293) 5.474 5.952 ( 3.056 7.824 -1.197) 8.485 6.008 ( -0.578 1.531 4.225) 4.531 6.071 ( 1.320 -5.139 2.090) 5.702 6.114 ( 1.129 -7.100 -1.780) 7.406 6.419 ( 2.098 2.196 -4.716) 5.610 6.459 ( 3.414 -1.699 -6.242) 7.314 6.715 ( 2.363 3.443 0.230) 4.182 6.760 ( 0.904 -0.516 -2.436) 2.649 6.911 ( -1.773 -2.103 -2.410) 3.657 6.951 ( -2.090 -6.676 -2.962) 7.597 9.725 ( 0.262 1.082 -3.279) 3.463 9.737 ( -2.502 1.434 4.933) 5.714 9.750 ( 0.627 -0.607 -1.634) 1.853 9.782 ( -1.329 -2.199 5.932) 6.465 10.307 ( 0.061 0.396 1.290) 1.351 10.316 ( 0.048 -0.560 2.389) 2.454 10.656 ( -0.586 0.570 3.598) 3.690 10.665 ( -1.253 -0.380 4.245) 4.442 11.276 ( -0.876 2.825 3.843) 4.849 11.338 ( -0.705 -3.517 2.140) 4.176 11.559 ( 1.284 2.026 0.897) 2.561 11.594 ( 2.161 -1.123 -1.806) 3.032 11.671 ( -0.100 2.951 -0.389) 2.979 11.745 ( 0.159 -4.396 -1.671) 4.705 12.198 ( 2.075 4.446 -11.569) 12.567 12.269 ( 2.548 -2.940 -13.840) 14.376 ======================= Grid point 89 (53/87) ======================= q-point: (-0.29 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -4.232 7.704 1.969) 9.008 0.898 ( -2.635 -5.405 1.689) 6.246 0.967 ( -5.259 5.061 1.400) 7.432 1.039 ( -0.886 -1.384 1.124) 1.991 1.120 ( -0.803 1.675 0.970) 2.095 1.197 ( -1.150 -6.556 -1.283) 6.779 1.388 ( 0.811 2.821 0.280) 2.949 1.416 ( 0.700 0.682 2.819) 2.983 1.624 ( 0.009 -0.920 -1.012) 1.367 1.647 ( -0.107 -3.146 -3.227) 4.508 1.813 ( 0.182 -0.485 1.343) 1.439 1.821 ( 0.965 -1.090 -0.674) 1.604 2.083 ( -0.342 8.525 0.985) 8.589 2.220 ( 0.307 -5.450 1.005) 5.550 2.588 ( -3.554 7.325 6.880) 10.660 2.638 ( -7.591 2.306 24.328) 25.589 2.756 ( -2.297 -1.004 8.044) 8.425 2.813 ( 2.193 -5.168 -6.730) 8.764 3.098 ( -2.814 4.949 3.576) 6.723 3.157 ( -1.940 -0.659 3.006) 3.638 3.437 ( -1.517 1.750 0.657) 2.407 3.500 ( -0.486 -3.778 0.942) 3.924 3.610 ( 1.359 7.048 -2.126) 7.486 3.687 ( -0.206 -1.861 0.957) 2.102 3.925 ( -0.783 4.189 0.799) 4.336 4.016 ( 1.900 -4.429 -0.148) 4.821 4.170 ( 2.148 3.368 -4.998) 6.398 4.237 ( 2.603 -3.376 -5.537) 6.988 4.818 ( -2.018 4.445 11.457) 12.454 4.914 ( -1.944 -5.001 12.299) 13.419 5.121 ( 2.316 3.545 -1.385) 4.455 5.167 ( 2.062 -0.847 -5.164) 5.625 5.512 ( 0.389 6.325 0.953) 6.408 5.615 ( -1.462 -3.579 -0.801) 3.948 6.004 ( 1.144 6.007 0.402) 6.128 6.028 ( 2.254 3.832 -0.072) 4.446 6.111 ( 1.724 -5.461 0.587) 5.757 6.154 ( 3.750 -6.023 -1.952) 7.358 6.425 ( 0.254 3.355 -3.625) 4.946 6.488 ( 2.936 -2.226 -6.532) 7.500 6.717 ( 0.437 1.306 -4.087) 4.313 6.780 ( 0.178 -3.482 -1.710) 3.883 6.871 ( 0.141 0.842 -0.826) 1.188 6.941 ( 1.643 -5.040 -0.288) 5.309 9.721 ( 0.983 1.089 -2.433) 2.842 9.732 ( -0.268 0.756 3.427) 3.520 9.761 ( 0.683 0.360 0.910) 1.193 9.803 ( 0.304 -3.081 5.911) 6.673 10.305 ( -0.786 0.578 0.677) 1.188 10.325 ( -0.857 -1.540 3.163) 3.621 10.662 ( -1.386 0.258 4.359) 4.581 10.665 ( -0.726 -0.017 4.229) 4.291 11.285 ( -0.149 2.447 3.160) 4.000 11.338 ( -0.345 -3.012 1.782) 3.517 11.608 ( 3.574 2.982 0.383) 4.670 11.640 ( 2.989 1.533 -2.272) 4.056 11.676 ( 1.454 0.642 -0.551) 1.682 11.742 ( 0.554 -4.407 -2.030) 4.884 12.153 ( -0.436 3.546 -10.901) 11.471 12.208 ( -1.360 -2.110 -13.728) 13.955 ======================= Grid point 90 (54/87) ======================= q-point: (-0.14 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -2.778 9.007 2.322) 9.707 0.863 ( -2.884 -3.450 1.695) 4.806 0.891 ( -1.807 4.552 6.321) 7.997 1.032 ( -1.340 -5.317 3.783) 6.661 1.118 ( -0.499 1.744 1.374) 2.275 1.175 ( 0.049 -5.140 -1.114) 5.259 1.388 ( -1.054 5.348 -0.171) 5.454 1.444 ( 0.356 0.375 3.275) 3.315 1.618 ( -0.073 -2.428 -0.812) 2.561 1.622 ( -0.492 -2.230 -2.525) 3.405 1.822 ( -0.205 -0.255 1.814) 1.843 1.833 ( 0.365 -1.557 1.301) 2.061 2.097 ( 0.971 8.352 -0.170) 8.410 2.229 ( -0.053 -5.278 0.522) 5.304 2.568 ( -3.213 7.605 11.304) 13.998 2.620 ( -4.886 2.222 15.961) 16.840 2.730 ( -5.218 -1.598 11.018) 12.296 2.794 ( 0.760 -5.802 -9.410) 11.081 3.057 ( -3.290 7.198 3.713) 8.742 3.145 ( -1.211 -1.706 3.651) 4.207 3.440 ( 1.413 3.164 -0.045) 3.465 3.502 ( 0.734 -1.729 -3.244) 3.749 3.588 ( -2.158 5.494 0.733) 5.948 3.702 ( -0.016 -6.275 6.297) 8.890 3.924 ( 0.340 6.642 0.210) 6.654 4.054 ( 1.854 -5.818 -1.863) 6.384 4.195 ( 2.868 3.840 -4.673) 6.694 4.271 ( 3.464 -3.821 -5.801) 7.762 4.838 ( -2.581 4.420 12.220) 13.249 4.934 ( -2.808 -5.001 12.340) 13.608 5.162 ( 2.985 2.568 -4.182) 5.744 5.185 ( 2.192 0.766 -3.808) 4.460 5.516 ( -0.597 4.408 -0.163) 4.451 5.588 ( -1.002 -2.771 1.187) 3.176 5.994 ( -1.888 3.977 0.551) 4.437 6.076 ( 2.014 3.582 -2.614) 4.870 6.139 ( 2.341 -1.906 -5.666) 6.420 6.221 ( 4.135 -4.269 -3.837) 7.075 6.370 ( -3.838 3.501 -2.635) 5.825 6.477 ( -1.416 -5.241 -5.504) 7.731 6.753 ( 4.942 -0.321 -0.963) 5.045 6.790 ( 3.609 -3.940 -0.137) 5.344 6.892 ( 0.629 3.278 -0.650) 3.400 6.971 ( 1.032 -4.438 -0.432) 4.576 9.736 ( 1.545 1.116 -1.984) 2.752 9.755 ( 0.965 -0.280 0.986) 1.408 9.784 ( 0.166 2.088 4.235) 4.725 9.857 ( 1.564 -4.937 6.133) 8.027 10.285 ( -1.480 0.620 0.517) 1.685 10.313 ( -2.136 -2.703 3.580) 4.968 10.655 ( -1.726 0.853 4.771) 5.145 10.672 ( -1.072 -0.775 4.427) 4.621 11.301 ( 0.143 1.798 2.299) 2.922 11.343 ( -0.136 -2.481 1.374) 2.840 11.652 ( 0.198 4.001 -0.498) 4.037 11.718 ( 1.992 -0.649 -0.734) 2.220 11.725 ( 7.000 1.379 -3.111) 7.784 11.772 ( 5.850 -1.997 -4.891) 7.883 12.064 ( -4.832 0.860 -10.379) 11.481 12.066 ( -3.875 0.891 -10.062) 10.820 ======================= Grid point 105 (55/87) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 2.469 0.000 4.744) 5.348 0.889 ( 0.180 0.000 -2.335) 2.342 0.964 ( 3.092 0.000 -2.531) 3.996 0.998 ( -1.050 0.000 2.224) 2.459 1.114 ( -4.775 0.000 5.638) 7.389 1.341 ( 0.839 0.000 7.220) 7.269 1.359 ( 0.334 0.000 -2.501) 2.523 1.500 ( -0.174 0.000 0.602) 0.626 1.595 ( -2.758 0.000 2.972) 4.055 1.677 ( 3.012 0.000 -2.030) 3.632 1.834 ( -2.291 0.000 0.231) 2.303 1.913 ( 0.053 0.000 8.327) 8.327 1.989 ( 1.820 0.000 -1.846) 2.592 2.115 ( 0.999 0.000 -7.681) 7.746 2.366 ( -2.368 0.000 3.833) 4.506 2.680 ( 2.134 0.000 -10.309) 10.528 2.812 ( 2.315 0.000 6.650) 7.041 2.985 ( -4.376 0.000 18.900) 19.400 3.147 ( -2.055 0.000 -9.625) 9.842 3.323 ( -7.947 0.000 23.749) 25.043 3.349 ( 3.524 0.000 -6.614) 7.494 3.370 ( -3.520 0.000 10.792) 11.352 3.630 ( 0.721 0.000 9.272) 9.300 3.741 ( -2.259 0.000 -1.842) 2.915 3.948 ( 3.927 0.000 -7.941) 8.859 4.063 ( 2.511 0.000 -9.114) 9.453 4.087 ( -1.346 0.000 2.850) 3.152 4.211 ( 1.037 0.000 -8.172) 8.238 4.850 ( -1.519 0.000 1.563) 2.180 4.951 ( 3.905 0.000 -6.717) 7.769 5.175 ( -1.379 0.000 7.821) 7.942 5.257 ( -3.332 0.000 6.432) 7.244 5.347 ( -4.841 0.000 7.160) 8.643 5.739 ( 2.261 0.000 -7.046) 7.400 5.845 ( 2.757 0.000 8.496) 8.932 5.958 ( -1.545 0.000 2.499) 2.938 6.039 ( -1.312 0.000 -3.220) 3.477 6.239 ( 1.708 0.000 -10.833) 10.966 6.325 ( -4.127 0.000 -3.590) 5.470 6.344 ( 2.209 0.000 -3.066) 3.779 6.800 ( -3.042 0.000 0.433) 3.073 6.859 ( 3.628 0.000 -2.654) 4.495 7.095 ( 1.204 0.000 2.555) 2.825 7.145 ( 2.876 0.000 -0.097) 2.878 9.714 ( 0.989 0.000 0.385) 1.061 9.793 ( -1.122 0.000 1.746) 2.075 9.793 ( 0.026 0.000 -0.614) 0.614 9.969 ( 3.411 0.000 -6.556) 7.390 10.342 ( -2.211 0.000 8.498) 8.781 10.660 ( 0.195 0.000 -3.877) 3.882 10.661 ( -7.567 0.000 2.999) 8.140 10.698 ( 1.036 0.000 1.968) 2.224 11.368 ( -1.205 0.000 5.948) 6.069 11.407 ( -1.598 0.000 3.907) 4.221 11.575 ( -2.122 0.000 3.537) 4.124 11.583 ( 3.133 0.000 0.079) 3.134 11.690 ( -1.336 0.000 -9.246) 9.342 11.727 ( 2.692 0.000 -3.251) 4.221 11.756 ( 5.122 0.000 -3.903) 6.440 11.908 ( 1.747 0.000 -6.071) 6.317 ======================= Grid point 106 (56/87) ======================= q-point: ( 0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 0.920 0.000 4.514) 4.606 0.862 ( 0.515 0.000 -7.193) 7.212 0.984 ( -0.415 0.000 -2.137) 2.177 1.017 ( 3.306 0.000 -2.467) 4.126 1.098 ( -1.983 0.000 11.846) 12.011 1.348 ( 0.010 0.000 -2.407) 2.407 1.401 ( 1.605 0.000 5.225) 5.467 1.479 ( -1.715 0.000 -0.142) 1.721 1.571 ( -0.781 0.000 2.256) 2.388 1.711 ( 0.102 0.000 -0.640) 0.648 1.789 ( -1.954 0.000 0.072) 1.955 1.993 ( 3.198 0.000 7.757) 8.391 1.997 ( -0.193 0.000 -1.124) 1.141 2.102 ( 2.871 0.000 -9.382) 9.811 2.336 ( -2.226 0.000 4.191) 4.745 2.682 ( 2.191 0.000 -8.517) 8.794 2.906 ( 3.168 0.000 6.839) 7.537 3.010 ( -4.107 0.000 19.185) 19.619 3.049 ( -2.426 0.000 -9.015) 9.336 3.306 ( -6.369 0.000 23.898) 24.732 3.348 ( -3.854 0.000 9.588) 10.333 3.366 ( 2.162 0.000 -9.209) 9.459 3.686 ( -0.581 0.000 -1.623) 1.724 3.710 ( 1.661 0.000 8.280) 8.445 3.978 ( 2.675 0.000 -8.386) 8.802 4.045 ( -3.711 0.000 3.134) 4.857 4.077 ( 2.776 0.000 -6.821) 7.364 4.183 ( 0.880 0.000 -8.001) 8.049 4.817 ( -2.041 0.000 0.122) 2.044 4.989 ( 3.433 0.000 -7.071) 7.861 5.181 ( -2.417 0.000 7.834) 8.199 5.209 ( -4.348 0.000 6.939) 8.188 5.303 ( -4.595 0.000 11.141) 12.052 5.720 ( -0.050 0.000 -6.580) 6.580 5.916 ( -1.158 0.000 7.498) 7.587 5.984 ( 2.172 0.000 1.896) 2.883 6.052 ( 4.113 0.000 -2.674) 4.906 6.219 ( 2.357 0.000 -11.137) 11.384 6.237 ( -2.017 0.000 -0.668) 2.124 6.365 ( 0.985 0.000 -2.042) 2.267 6.700 ( -6.619 0.000 0.004) 6.619 6.867 ( -0.842 0.000 -2.528) 2.664 7.130 ( 0.668 0.000 0.684) 0.956 7.180 ( 1.358 0.000 -2.568) 2.905 9.730 ( 0.392 0.000 0.262) 0.471 9.770 ( -1.704 0.000 0.737) 1.856 9.791 ( 0.359 0.000 -1.320) 1.368 9.969 ( -0.191 0.000 -5.681) 5.684 10.348 ( -2.028 0.000 8.883) 9.112 10.523 ( -7.554 0.000 7.301) 10.506 10.636 ( -0.231 0.000 -3.576) 3.584 10.734 ( 0.815 0.000 2.734) 2.853 11.378 ( -1.666 0.000 7.669) 7.848 11.403 ( -0.138 0.000 1.584) 1.590 11.558 ( -1.373 0.000 3.605) 3.857 11.606 ( -1.611 0.000 -1.344) 2.098 11.635 ( 0.353 0.000 -3.030) 3.050 11.779 ( 4.217 0.000 -5.350) 6.812 11.857 ( 8.313 0.000 -10.650) 13.511 11.901 ( 0.888 0.000 -6.136) 6.200 ======================= Grid point 107 (57/87) ======================= q-point: ( 0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 1.546 0.000 -5.125) 5.353 0.856 ( -0.842 0.000 3.229) 3.337 0.984 ( 2.476 0.000 -3.510) 4.295 1.056 ( 1.825 0.000 -2.840) 3.376 1.132 ( -0.669 0.000 8.665) 8.691 1.333 ( -0.956 0.000 0.148) 0.968 1.450 ( 0.767 0.000 2.613) 2.723 1.453 ( -0.424 0.000 -0.517) 0.669 1.590 ( 1.838 0.000 0.519) 1.910 1.673 ( -2.376 0.000 -1.123) 2.628 1.760 ( -1.457 0.000 1.033) 1.785 1.973 ( -1.513 0.000 -1.489) 2.123 2.062 ( -0.567 0.000 2.795) 2.852 2.139 ( 5.625 0.000 -7.647) 9.493 2.355 ( 0.842 0.000 8.406) 8.448 2.648 ( -1.132 0.000 -8.253) 8.330 2.977 ( 0.100 0.000 -6.263) 6.264 2.982 ( -1.725 0.000 11.200) 11.332 3.038 ( -0.149 0.000 11.148) 11.149 3.311 ( -4.827 0.000 17.474) 18.129 3.346 ( -3.509 0.000 16.815) 17.178 3.350 ( 2.240 0.000 -9.916) 10.166 3.711 ( 3.020 0.000 -1.364) 3.314 3.755 ( -1.375 0.000 6.274) 6.423 3.958 ( 0.506 0.000 -8.758) 8.773 3.992 ( -3.789 0.000 4.682) 6.023 4.072 ( -0.844 0.000 -4.008) 4.095 4.171 ( 3.340 0.000 -11.339) 11.821 4.777 ( -1.895 0.000 0.169) 1.903 5.004 ( 2.011 0.000 -7.787) 8.043 5.169 ( -2.876 0.000 8.164) 8.656 5.181 ( -2.813 0.000 9.250) 9.668 5.290 ( -2.541 0.000 11.207) 11.491 5.691 ( 0.919 0.000 -5.674) 5.748 5.894 ( -4.615 0.000 5.347) 7.063 6.003 ( -0.180 0.000 2.443) 2.449 6.139 ( 5.345 0.000 -4.172) 6.781 6.214 ( 2.972 0.000 -9.577) 10.028 6.267 ( 2.654 0.000 2.504) 3.649 6.357 ( -0.245 0.000 -2.587) 2.599 6.571 ( -4.872 0.000 -0.564) 4.905 6.820 ( -2.239 0.000 -2.616) 3.443 7.115 ( -1.933 0.000 -0.946) 2.152 7.177 ( 0.035 0.000 -3.388) 3.388 9.724 ( -1.549 0.000 0.588) 1.657 9.745 ( -0.408 0.000 -0.563) 0.695 9.795 ( 1.009 0.000 -1.985) 2.227 9.904 ( -3.425 0.000 -3.457) 4.867 10.353 ( -1.983 0.000 7.700) 7.951 10.462 ( -3.527 0.000 9.946) 10.553 10.618 ( 0.502 0.000 -3.505) 3.541 10.751 ( -0.485 0.000 2.185) 2.238 11.382 ( -2.489 0.000 9.181) 9.512 11.420 ( 1.075 0.000 0.282) 1.111 11.555 ( -1.494 0.000 -3.310) 3.632 11.563 ( -0.236 0.000 4.226) 4.232 11.635 ( -0.445 0.000 1.266) 1.342 11.824 ( 3.431 0.000 -6.240) 7.121 11.880 ( 0.423 0.000 -6.101) 6.115 11.948 ( 7.663 0.000 -14.900) 16.755 ======================= Grid point 108 (58/87) ======================= q-point: (-0.57 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -3.542 0.000 2.287) 4.216 0.867 ( 2.229 0.000 -2.360) 3.246 1.027 ( 2.439 0.000 -3.633) 4.376 1.054 ( -0.501 0.000 -2.722) 2.767 1.166 ( 0.364 0.000 6.423) 6.433 1.323 ( -0.530 0.000 3.396) 3.437 1.437 ( -0.599 0.000 -3.350) 3.404 1.445 ( -1.931 0.000 0.221) 1.944 1.639 ( -0.449 0.000 -1.018) 1.112 1.640 ( 3.067 0.000 -1.596) 3.457 1.756 ( 0.631 0.000 2.245) 2.332 1.925 ( -2.222 0.000 -1.372) 2.611 2.021 ( -3.868 0.000 2.705) 4.720 2.219 ( 5.078 0.000 -7.694) 9.219 2.408 ( -0.988 0.000 7.329) 7.396 2.574 ( -1.064 0.000 -5.013) 5.125 2.982 ( -2.826 0.000 7.880) 8.371 3.004 ( 5.000 0.000 -3.102) 5.883 3.103 ( 0.612 0.000 8.232) 8.255 3.306 ( -4.772 0.000 14.695) 15.451 3.358 ( 3.236 0.000 -8.787) 9.364 3.363 ( -5.104 0.000 20.253) 20.886 3.738 ( -3.460 0.000 7.354) 8.127 3.761 ( 2.697 0.000 -2.905) 3.964 3.927 ( 1.630 0.000 -8.889) 9.037 3.934 ( -4.701 0.000 4.709) 6.654 4.014 ( -1.797 0.000 -4.054) 4.434 4.179 ( 3.211 0.000 -11.217) 11.668 4.756 ( -0.453 0.000 1.667) 1.727 4.986 ( 0.619 0.000 -7.597) 7.622 5.164 ( -1.973 0.000 7.654) 7.904 5.194 ( -1.431 0.000 10.286) 10.385 5.327 ( 0.284 0.000 9.828) 9.832 5.693 ( 2.087 0.000 -5.774) 6.140 5.810 ( -5.767 0.000 4.841) 7.530 6.046 ( 2.762 0.000 4.486) 5.268 6.178 ( 2.134 0.000 -8.719) 8.976 6.244 ( 3.486 0.000 -4.162) 5.429 6.271 ( -3.522 0.000 1.235) 3.732 6.347 ( 1.573 0.000 -5.166) 5.400 6.562 ( 3.754 0.000 0.934) 3.869 6.751 ( -3.100 0.000 -3.394) 4.596 7.062 ( -2.421 0.000 -0.357) 2.448 7.148 ( -0.952 0.000 -3.620) 3.743 9.692 ( -1.523 0.000 0.314) 1.555 9.739 ( 0.003 0.000 -0.421) 0.421 9.809 ( 1.142 0.000 -1.729) 2.072 9.818 ( -2.897 0.000 -2.365) 3.740 10.355 ( -1.685 0.000 6.581) 6.793 10.472 ( -1.506 0.000 10.934) 11.037 10.618 ( 1.298 0.000 -3.643) 3.867 10.742 ( -1.013 0.000 0.813) 1.299 11.381 ( -2.871 0.000 9.916) 10.323 11.440 ( 0.702 0.000 0.256) 0.747 11.519 ( -0.577 0.000 -2.142) 2.219 11.588 ( 0.025 0.000 4.941) 4.941 11.631 ( -0.565 0.000 1.270) 1.390 11.844 ( 2.006 0.000 -6.591) 6.890 11.859 ( 0.961 0.000 -5.970) 6.047 11.996 ( 5.798 0.000 -17.058) 18.017 ======================= Grid point 109 (59/87) ======================= q-point: (-0.43 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -4.558 0.000 2.479) 5.189 0.911 ( 2.869 0.000 -0.598) 2.931 1.005 ( -2.865 0.000 -1.777) 3.371 1.006 ( -2.892 0.000 -1.642) 3.325 1.213 ( 0.077 0.000 5.918) 5.919 1.345 ( 0.630 0.000 1.299) 1.443 1.401 ( -1.877 0.000 0.093) 1.879 1.419 ( 1.341 0.000 -2.103) 2.495 1.628 ( -0.152 0.000 -1.258) 1.267 1.673 ( 1.079 0.000 -2.991) 3.179 1.801 ( 1.963 0.000 2.023) 2.819 1.890 ( -0.188 0.000 -0.936) 0.955 1.967 ( -3.683 0.000 6.338) 7.331 2.207 ( -0.781 0.000 -9.327) 9.359 2.396 ( -2.646 0.000 3.994) 4.791 2.601 ( 3.911 0.000 1.072) 4.055 2.949 ( -2.564 0.000 -1.241) 2.848 3.113 ( 6.591 0.000 -2.146) 6.931 3.130 ( -2.247 0.000 4.472) 5.005 3.293 ( -4.885 0.000 19.764) 20.359 3.362 ( 1.434 0.000 -8.242) 8.366 3.362 ( -6.398 0.000 21.817) 22.736 3.700 ( -5.191 0.000 8.828) 10.241 3.764 ( -0.059 0.000 -5.834) 5.835 3.886 ( -1.586 0.000 5.166) 5.404 3.934 ( 3.609 0.000 -9.124) 9.812 4.001 ( 2.610 0.000 -2.046) 3.316 4.176 ( 2.462 0.000 -9.692) 10.000 4.779 ( 1.138 0.000 3.434) 3.618 4.957 ( 0.809 0.000 -7.883) 7.924 5.163 ( -2.400 0.000 7.288) 7.673 5.225 ( -1.076 0.000 9.663) 9.723 5.390 ( 1.175 0.000 6.141) 6.253 5.703 ( 2.218 0.000 -6.913) 7.260 5.739 ( -4.196 0.000 6.710) 7.913 6.146 ( 1.942 0.000 5.524) 5.855 6.156 ( 0.595 0.000 -7.089) 7.114 6.204 ( -0.383 0.000 -0.315) 0.496 6.300 ( 4.344 0.000 -6.270) 7.628 6.350 ( 1.686 0.000 -5.585) 5.834 6.665 ( -2.717 0.000 -4.904) 5.607 6.669 ( 5.294 0.000 1.384) 5.472 7.035 ( -0.630 0.000 1.907) 2.009 7.101 ( -1.885 0.000 -2.788) 3.366 9.673 ( -0.657 0.000 0.711) 0.968 9.745 ( 0.701 0.000 0.162) 0.719 9.768 ( -1.010 0.000 0.150) 1.021 9.832 ( 2.214 0.000 -3.475) 4.120 10.355 ( -1.823 0.000 6.234) 6.495 10.520 ( 0.492 0.000 11.075) 11.086 10.625 ( 1.453 0.000 -3.962) 4.220 10.726 ( -0.713 0.000 0.015) 0.713 11.375 ( -3.086 0.000 9.916) 10.386 11.447 ( -0.327 0.000 0.621) 0.702 11.508 ( 0.428 0.000 -1.596) 1.653 11.609 ( -0.760 0.000 5.161) 5.217 11.630 ( 0.046 0.000 0.757) 0.758 11.832 ( 0.388 0.000 -6.462) 6.473 11.858 ( 2.154 0.000 -5.811) 6.197 11.988 ( 2.726 0.000 -17.857) 18.063 ======================= Grid point 110 (60/87) ======================= q-point: (-0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -2.270 0.000 3.035) 3.790 0.923 ( -4.456 0.000 4.426) 6.281 0.945 ( -1.746 0.000 -1.847) 2.541 0.969 ( 2.531 0.000 -1.354) 2.870 1.223 ( -1.384 0.000 4.600) 4.804 1.352 ( 0.858 0.000 -2.483) 2.627 1.363 ( -3.553 0.000 2.204) 4.181 1.461 ( 1.710 0.000 1.846) 2.516 1.623 ( 0.630 0.000 -1.742) 1.853 1.658 ( -0.731 0.000 -1.540) 1.704 1.839 ( 1.061 0.000 1.231) 1.625 1.908 ( 2.397 0.000 -1.790) 2.992 1.935 ( -3.738 0.000 7.476) 8.359 2.148 ( -0.252 0.000 -6.210) 6.215 2.374 ( -1.257 0.000 3.769) 3.973 2.682 ( 2.364 0.000 3.571) 4.282 2.862 ( -3.395 0.000 -8.635) 9.279 3.066 ( -5.461 0.000 4.551) 7.109 3.220 ( 5.132 0.000 -3.503) 6.213 3.324 ( -5.244 0.000 24.375) 24.933 3.324 ( -0.333 0.000 -8.217) 8.224 3.359 ( -5.026 0.000 20.419) 21.029 3.635 ( -5.359 0.000 8.695) 10.214 3.732 ( 0.411 0.000 -4.073) 4.094 3.943 ( 3.609 0.000 5.968) 6.974 3.947 ( 2.734 0.000 -10.082) 10.446 4.064 ( 3.737 0.000 -3.627) 5.208 4.185 ( 3.746 0.000 -8.791) 9.555 4.825 ( 1.080 0.000 4.078) 4.219 4.933 ( 1.255 0.000 -8.539) 8.631 5.152 ( -2.521 0.000 7.997) 8.385 5.251 ( -1.355 0.000 8.684) 8.789 5.423 ( -0.085 0.000 1.397) 1.399 5.707 ( 2.357 0.000 -7.740) 8.091 5.723 ( -1.802 0.000 9.022) 9.200 6.097 ( -4.980 0.000 2.764) 5.696 6.136 ( 0.759 0.000 -5.630) 5.681 6.299 ( 1.330 0.000 -11.104) 11.184 6.319 ( 6.818 0.000 -0.758) 6.860 6.366 ( -0.015 0.000 -1.705) 1.705 6.638 ( 4.073 0.000 -4.976) 6.430 6.765 ( 3.535 0.000 0.628) 3.590 7.048 ( 0.253 0.000 2.992) 3.003 7.059 ( -1.122 0.000 0.672) 1.308 9.674 ( 0.264 0.000 0.944) 0.980 9.768 ( 1.084 0.000 1.266) 1.666 9.774 ( 0.902 0.000 0.772) 1.187 9.863 ( 3.349 0.000 -4.567) 5.663 10.351 ( -2.098 0.000 6.485) 6.816 10.614 ( 3.137 0.000 9.685) 10.181 10.633 ( 1.531 0.000 -3.758) 4.058 10.713 ( -0.586 0.000 -0.367) 0.692 11.367 ( -2.722 0.000 8.818) 9.228 11.437 ( -1.251 0.000 1.816) 2.205 11.514 ( 1.076 0.000 -2.057) 2.322 11.612 ( -1.616 0.000 4.677) 4.949 11.645 ( 1.384 0.000 -0.189) 1.397 11.792 ( -1.142 0.000 -5.094) 5.221 11.877 ( 2.743 0.000 -5.776) 6.394 11.907 ( -1.343 0.000 -16.572) 16.626 ======================= Grid point 111 (61/87) ======================= q-point: (-0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 1.309 0.000 3.581) 3.812 0.887 ( -1.657 0.000 5.171) 5.430 0.930 ( 1.372 0.000 -2.276) 2.658 1.000 ( 0.622 0.000 0.105) 0.630 1.199 ( -3.885 0.000 1.039) 4.021 1.306 ( -2.489 0.000 7.436) 7.842 1.358 ( 0.976 0.000 -2.290) 2.490 1.488 ( 0.420 0.000 1.580) 1.635 1.633 ( -2.019 0.000 1.504) 2.518 1.639 ( 2.028 0.000 -2.380) 3.127 1.859 ( 0.157 0.000 0.517) 0.540 1.900 ( -3.270 0.000 7.499) 8.181 1.952 ( 2.850 0.000 -2.271) 3.644 2.129 ( 0.926 0.000 -4.843) 4.931 2.378 ( -1.168 0.000 4.595) 4.741 2.729 ( 0.573 0.000 -6.779) 6.803 2.753 ( -1.365 0.000 1.036) 1.713 2.998 ( -5.352 0.000 11.521) 12.703 3.229 ( -0.983 0.000 -8.397) 8.454 3.312 ( 3.329 0.000 -5.740) 6.636 3.339 ( -6.085 0.000 22.966) 23.759 3.371 ( -4.440 0.000 17.207) 17.770 3.600 ( -2.656 0.000 8.654) 9.053 3.746 ( 1.675 0.000 -0.538) 1.760 3.938 ( 2.185 0.000 -9.879) 10.118 4.049 ( 3.047 0.000 4.590) 5.509 4.078 ( 1.462 0.000 -8.644) 8.767 4.216 ( 3.218 0.000 -8.358) 8.956 4.855 ( -0.212 0.000 3.263) 3.270 4.923 ( 2.471 0.000 -7.546) 7.940 5.158 ( -1.423 0.000 8.167) 8.290 5.265 ( -1.860 0.000 8.202) 8.411 5.403 ( -2.473 0.000 1.006) 2.670 5.719 ( 3.095 0.000 -7.463) 8.080 5.761 ( 0.573 0.000 9.402) 9.420 6.010 ( -4.728 0.000 2.482) 5.340 6.104 ( -1.882 0.000 -4.094) 4.506 6.266 ( 1.479 0.000 -10.714) 10.816 6.335 ( -0.043 0.000 -3.739) 3.739 6.389 ( 0.958 0.000 -4.474) 4.575 6.752 ( 7.815 0.000 -2.984) 8.365 6.813 ( 1.100 0.000 0.337) 1.150 7.068 ( 0.166 0.000 3.041) 3.045 7.081 ( 2.101 0.000 2.937) 3.611 9.691 ( 0.922 0.000 0.734) 1.178 9.792 ( 0.368 0.000 0.224) 0.431 9.792 ( 0.193 0.000 1.987) 1.996 9.918 ( 4.711 0.000 -5.918) 7.564 10.344 ( -2.296 0.000 7.372) 7.722 10.650 ( 1.985 0.000 -2.951) 3.556 10.697 ( -0.787 0.000 -0.393) 0.879 10.713 ( 1.164 0.000 4.409) 4.560 11.364 ( -1.916 0.000 7.050) 7.306 11.421 ( -1.709 0.000 3.400) 3.805 11.530 ( 2.002 0.000 -2.016) 2.841 11.598 ( -2.139 0.000 3.984) 4.522 11.684 ( 3.192 0.000 -2.477) 4.040 11.741 ( -1.689 0.000 -1.496) 2.256 11.782 ( -2.355 0.000 -12.354) 12.577 11.898 ( 2.485 0.000 -5.913) 6.414 ======================= Grid point 112 (62/87) ======================= q-point: ( 0.00 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 0.504 -1.135 6.089) 6.214 0.936 ( 2.508 -1.272 -4.264) 5.108 0.959 ( 2.398 2.925 1.475) 4.060 1.030 ( -1.150 3.218 -1.420) 3.701 1.138 ( -4.301 2.729 5.976) 7.852 1.278 ( 1.293 -4.146 6.610) 7.909 1.375 ( 0.378 -1.013 0.087) 1.085 1.453 ( -1.496 -1.982 0.814) 2.613 1.589 ( -1.803 -1.257 -0.475) 2.249 1.663 ( 1.341 -3.341 -2.485) 4.374 1.861 ( -1.170 1.844 1.035) 2.417 1.936 ( 0.511 1.082 5.747) 5.870 2.002 ( 1.177 3.525 1.128) 3.884 2.217 ( 0.482 7.533 -8.336) 11.246 2.350 ( -1.101 -0.448 3.291) 3.499 2.654 ( 2.433 -2.564 -10.150) 10.748 2.869 ( 1.486 4.984 7.137) 8.831 2.995 ( -4.080 1.112 15.719) 16.278 3.173 ( -2.625 1.212 -2.596) 3.886 3.309 ( -3.009 -2.854 5.965) 7.265 3.335 ( -4.187 2.117 12.955) 13.779 3.405 ( -0.091 2.091 4.708) 5.153 3.651 ( -0.147 2.489 9.223) 9.554 3.792 ( -0.993 4.810 -2.743) 5.626 3.956 ( 3.859 -0.310 -5.592) 6.801 4.012 ( -1.258 -3.650 -2.788) 4.762 4.091 ( 1.787 0.019 -4.795) 5.117 4.196 ( 1.877 -1.541 -7.840) 8.208 4.903 ( -1.680 4.957 2.423) 5.768 4.989 ( 3.273 3.879 -5.604) 7.561 5.179 ( -1.826 -0.634 6.673) 6.947 5.236 ( -2.514 -1.746 5.291) 6.112 5.394 ( -4.185 4.757 6.832) 9.318 5.744 ( 2.560 -0.522 -1.928) 3.247 5.854 ( -0.231 1.545 2.695) 3.115 5.955 ( 0.819 1.020 0.625) 1.449 6.069 ( -0.776 1.358 -2.576) 3.014 6.184 ( -0.735 -3.957 -6.639) 7.763 6.305 ( 0.467 -2.910 -2.928) 4.155 6.349 ( -0.084 0.797 -5.918) 5.972 6.804 ( -3.301 0.646 0.233) 3.372 6.852 ( 3.605 -0.481 -2.049) 4.174 7.035 ( 2.352 -5.488 2.336) 6.412 7.088 ( 1.719 -5.659 -0.486) 5.934 9.722 ( 0.761 0.753 0.564) 1.210 9.785 ( -0.911 -0.731 1.645) 2.018 9.810 ( 0.330 1.660 -0.932) 1.932 9.953 ( 3.095 -1.616 -5.863) 6.824 10.343 ( -2.273 0.265 8.502) 8.805 10.544 ( -4.270 -7.387 5.384) 10.089 10.681 ( -1.297 0.277 -1.060) 1.698 10.706 ( 0.422 0.002 -0.061) 0.426 11.368 ( -1.251 0.064 5.641) 5.778 11.410 ( -1.609 -0.489 3.332) 3.732 11.571 ( 0.240 1.620 -0.969) 1.902 11.658 ( 0.178 2.746 -2.084) 3.452 11.696 ( -2.068 2.307 -5.826) 6.598 11.735 ( 2.743 0.727 -2.499) 3.781 11.762 ( 5.583 0.870 -3.988) 6.916 11.903 ( 1.509 -0.584 -5.962) 6.178 ======================= Grid point 113 (63/87) ======================= q-point: ( 0.14 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 1.595 -0.629 4.341) 4.667 0.953 ( 2.275 0.512 -7.001) 7.380 0.988 ( -1.416 3.183 -2.341) 4.197 1.019 ( 3.014 1.485 -0.682) 3.428 1.115 ( -2.641 2.301 10.158) 10.745 1.341 ( 1.682 -2.286 3.557) 4.551 1.371 ( -0.382 -1.657 0.288) 1.725 1.428 ( -1.486 -3.546 1.050) 3.985 1.553 ( -1.149 -1.478 0.115) 1.876 1.667 ( -0.354 -4.950 -1.584) 5.209 1.833 ( -2.014 3.572 0.951) 4.210 1.981 ( 0.800 -1.345 -0.194) 1.577 2.037 ( 1.446 4.204 5.999) 7.467 2.205 ( 3.479 7.263 -7.677) 11.127 2.330 ( -2.275 0.626 2.403) 3.368 2.658 ( 2.315 -2.559 -8.872) 9.519 2.948 ( 2.399 3.896 6.051) 7.586 3.014 ( -2.982 0.899 15.670) 15.977 3.123 ( -1.114 5.027 -2.015) 5.529 3.278 ( -4.114 -2.615 10.874) 11.917 3.332 ( -3.137 1.245 12.507) 12.955 3.414 ( -0.270 2.306 -0.478) 2.371 3.673 ( -2.161 0.054 4.728) 5.199 3.778 ( 1.750 5.730 -0.183) 5.994 3.951 ( -3.993 -6.426 2.382) 7.932 3.994 ( 2.788 0.907 -8.388) 8.885 4.102 ( 2.826 0.631 -7.248) 7.805 4.190 ( 1.132 0.120 -5.604) 5.719 4.873 ( -2.152 5.211 0.994) 5.725 5.021 ( 2.603 3.084 -4.946) 6.384 5.160 ( -3.406 -1.908 6.717) 7.769 5.209 ( -3.084 -0.481 6.091) 6.844 5.357 ( -3.645 5.527 9.096) 11.251 5.755 ( 0.490 3.559 -5.681) 6.722 5.867 ( -0.531 -4.558 6.172) 7.691 5.998 ( 1.361 1.258 0.691) 1.978 6.090 ( 4.188 2.345 -2.352) 5.345 6.128 ( -0.819 -4.036 -4.020) 5.755 6.286 ( 0.766 0.485 -5.109) 5.189 6.339 ( 0.512 -2.291 -2.985) 3.798 6.702 ( -6.290 0.641 -0.218) 6.326 6.862 ( -1.041 -0.263 -1.889) 2.173 7.076 ( 0.728 -5.164 -0.218) 5.220 7.117 ( 1.495 -5.991 -1.997) 6.490 9.733 ( 0.130 0.333 0.358) 0.506 9.766 ( -1.536 -0.371 0.730) 1.740 9.809 ( 0.336 1.775 -1.607) 2.418 9.953 ( -0.176 -1.628 -5.172) 5.425 10.349 ( -1.976 0.208 8.838) 9.058 10.475 ( -5.312 -3.955 7.997) 10.383 10.648 ( -0.587 1.036 -2.679) 2.932 10.725 ( 0.569 -0.917 1.644) 1.967 11.377 ( -1.385 -0.108 6.923) 7.062 11.400 ( -0.640 -0.455 1.979) 2.130 11.557 ( -1.323 0.650 1.679) 2.234 11.615 ( -1.409 -0.028 -5.531) 5.707 11.665 ( -0.791 2.934 1.580) 3.425 11.780 ( 2.758 -0.138 -3.809) 4.705 11.864 ( 7.602 0.835 -10.001) 12.590 11.905 ( 2.423 0.268 -7.103) 7.510 ======================= Grid point 114 (64/87) ======================= q-point: ( 0.29 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 0.788 0.777 2.625) 2.849 0.957 ( 0.578 5.702 -4.129) 7.064 0.968 ( 2.250 -1.293 -3.639) 4.469 1.066 ( 2.200 1.462 -2.922) 3.939 1.121 ( -1.783 -0.471 6.991) 7.230 1.344 ( -0.593 0.961 -0.694) 1.326 1.397 ( -0.203 -4.341 3.315) 5.466 1.410 ( -0.255 -3.991 0.730) 4.065 1.558 ( 1.321 -2.482 0.588) 2.873 1.630 ( -1.681 -4.216 -1.545) 4.794 1.799 ( -1.754 3.337 1.194) 3.954 1.963 ( -1.584 -1.042 -1.623) 2.496 2.088 ( 0.165 2.848 2.689) 3.920 2.262 ( 3.978 9.730 -7.785) 13.080 2.327 ( 1.452 -2.665 7.489) 8.080 2.634 ( -0.038 -1.689 -8.336) 8.506 2.997 ( -1.461 3.276 7.589) 8.394 3.052 ( -0.467 1.348 11.403) 11.492 3.108 ( 0.820 9.472 -2.288) 9.779 3.281 ( -2.174 -1.582 12.203) 12.496 3.341 ( -3.791 -0.203 16.358) 16.793 3.396 ( -0.008 2.751 -3.385) 4.362 3.663 ( -0.647 -2.547 3.178) 4.124 3.806 ( 0.458 2.435 -1.567) 2.932 3.894 ( -2.832 -4.881 3.671) 6.732 3.989 ( 1.381 1.566 -7.850) 8.123 4.111 ( 0.592 1.291 -4.379) 4.604 4.175 ( 1.202 0.403 -8.016) 8.116 4.834 ( -2.063 5.372 0.894) 5.823 5.034 ( 1.451 2.836 -5.445) 6.309 5.132 ( -3.067 -2.646 7.940) 8.913 5.186 ( -2.728 -0.494 7.331) 7.838 5.352 ( -1.732 6.190 9.022) 11.077 5.733 ( 0.719 4.442 -4.980) 6.712 5.859 ( -3.693 -3.854 4.830) 7.199 6.005 ( 0.004 -0.190 0.877) 0.898 6.135 ( 2.893 -0.739 -0.854) 3.105 6.176 ( 4.662 -1.654 -5.765) 7.596 6.289 ( 0.571 0.642 -1.916) 2.100 6.324 ( 0.399 -3.543 -3.329) 4.878 6.589 ( -3.573 2.231 -0.839) 4.295 6.814 ( -2.407 -0.479 -1.936) 3.126 7.059 ( -1.664 -5.351 -1.832) 5.896 7.118 ( -0.142 -5.483 -2.693) 6.110 9.725 ( -1.400 0.151 0.478) 1.486 9.742 ( -0.569 -0.267 -0.431) 0.762 9.808 ( 0.594 1.195 -2.088) 2.478 9.895 ( -2.984 -0.930 -3.290) 4.538 10.356 ( -1.831 0.408 7.821) 8.043 10.442 ( -2.897 -1.857 9.695) 10.287 10.631 ( 0.384 1.216 -3.016) 3.275 10.736 ( -0.291 -1.399 1.299) 1.931 11.383 ( -2.252 0.065 8.522) 8.815 11.410 ( 0.566 -0.826 1.248) 1.600 11.547 ( -0.765 -0.188 1.077) 1.335 11.568 ( -0.659 0.023 -2.064) 2.167 11.658 ( -1.001 2.134 2.150) 3.191 11.795 ( 0.845 -2.108 -3.292) 3.999 11.909 ( 3.138 2.067 -8.854) 9.619 11.954 ( 7.001 0.482 -13.833) 15.512 ======================= Grid point 115 (65/87) ======================= q-point: (-0.57 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -1.874 1.441 2.754) 3.629 0.955 ( 0.971 6.887 -2.482) 7.384 0.996 ( 1.419 -1.660 -2.981) 3.695 1.069 ( 0.280 1.154 -4.454) 4.610 1.128 ( -0.228 -3.744 4.450) 5.820 1.338 ( -0.451 1.307 2.269) 2.657 1.375 ( -1.242 -4.830 -2.822) 5.730 1.408 ( -1.321 -3.247 1.601) 3.854 1.593 ( 1.753 -3.308 -0.115) 3.745 1.626 ( 2.088 -2.811 -1.620) 3.858 1.785 ( -0.182 2.263 1.686) 2.828 1.908 ( -2.809 -1.457 -1.411) 3.465 2.071 ( -2.839 4.708 3.007) 6.267 2.285 ( 1.945 3.916 -4.011) 5.933 2.409 ( 1.453 1.054 2.512) 3.087 2.592 ( 1.264 1.052 -5.704) 5.937 2.997 ( -3.164 2.261 8.785) 9.608 3.099 ( -0.000 2.011 7.530) 7.794 3.136 ( 3.473 8.872 -2.600) 9.876 3.301 ( -2.741 0.107 12.116) 12.423 3.350 ( -4.796 -0.496 16.497) 17.188 3.398 ( 1.723 2.588 -1.431) 3.423 3.668 ( -1.317 -3.865 5.129) 6.555 3.784 ( -1.224 -2.795 -2.206) 3.766 3.879 ( -0.256 0.459 1.075) 1.197 3.969 ( 0.922 2.452 -6.976) 7.452 4.066 ( -2.821 2.948 -1.551) 4.365 4.163 ( 2.411 -1.367 -10.312) 10.678 4.812 ( -0.739 5.278 2.145) 5.745 5.015 ( 0.030 2.682 -6.170) 6.728 5.136 ( -1.275 -2.816 8.363) 8.916 5.184 ( -1.649 -1.100 7.749) 7.999 5.384 ( -0.025 5.701 8.304) 10.073 5.734 ( 1.817 4.330 -4.423) 6.451 5.793 ( -4.664 -1.957 3.904) 6.390 6.039 ( 2.514 -0.802 2.724) 3.793 6.160 ( 0.960 -2.055 -5.415) 5.871 6.213 ( -0.493 -3.493 0.465) 3.558 6.263 ( 1.009 -0.157 -4.700) 4.810 6.335 ( 2.006 -1.127 -5.059) 5.558 6.589 ( 3.429 2.756 0.461) 4.424 6.750 ( -2.925 -0.001 -2.608) 3.919 7.008 ( -2.062 -4.997 -0.968) 5.492 7.086 ( -1.301 -5.885 -3.220) 6.833 9.696 ( -1.364 0.421 0.243) 1.448 9.734 ( -0.115 -0.508 -0.365) 0.636 9.812 ( 0.587 0.238 -1.635) 1.753 9.819 ( -2.408 0.030 -2.434) 3.424 10.362 ( -1.631 0.715 6.860) 7.087 10.454 ( -1.546 -1.663 10.229) 10.478 10.630 ( 1.190 1.215 -3.160) 3.589 10.730 ( -0.654 -1.227 0.193) 1.404 11.382 ( -2.602 0.184 9.100) 9.466 11.425 ( -0.060 -1.227 1.658) 2.063 11.531 ( 0.128 0.870 -2.218) 2.386 11.576 ( 0.276 -0.933 3.284) 3.425 11.650 ( -0.961 1.647 1.984) 2.752 11.786 ( 0.181 -3.020 -3.176) 4.386 11.919 ( 2.759 3.131 -9.357) 10.245 11.999 ( 5.475 0.132 -16.010) 16.921 ======================= Grid point 116 (66/87) ======================= q-point: (-0.43 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -4.339 3.011 3.105) 6.126 0.969 ( -2.267 -0.548 -0.886) 2.495 0.979 ( 1.683 4.795 -0.848) 5.152 1.029 ( -1.670 1.027 -4.211) 4.645 1.157 ( 0.014 -5.032 4.749) 6.919 1.318 ( -0.735 -4.477 -3.265) 5.590 1.362 ( -0.825 -1.150 1.817) 2.303 1.405 ( 1.539 -0.528 1.196) 2.020 1.624 ( 1.542 -1.273 -1.008) 2.240 1.654 ( 1.342 -2.635 -3.389) 4.498 1.810 ( 1.122 0.532 1.995) 2.350 1.861 ( -0.629 -2.153 -0.362) 2.272 2.031 ( -3.446 6.064 5.882) 9.124 2.274 ( -0.185 4.810 -6.007) 7.697 2.394 ( -2.607 0.457 1.279) 2.940 2.646 ( 5.080 2.327 -2.930) 6.309 2.955 ( -4.516 1.672 3.509) 5.958 3.116 ( -2.574 -0.575 6.453) 6.971 3.209 ( 4.062 6.711 -0.645) 7.871 3.307 ( -2.765 0.992 11.465) 11.836 3.339 ( -3.517 1.217 11.124) 11.730 3.420 ( -1.216 3.252 5.588) 6.578 3.663 ( -2.927 -2.796 7.848) 8.830 3.745 ( -0.888 -2.486 -3.082) 4.058 3.887 ( 0.795 1.558 -0.038) 1.750 3.967 ( 2.448 2.058 -6.121) 6.906 4.024 ( 0.337 2.008 -1.545) 2.556 4.153 ( 2.082 -2.037 -9.128) 9.581 4.831 ( 0.841 4.915 3.788) 6.262 4.984 ( 0.558 2.620 -6.442) 6.977 5.150 ( -1.568 -1.537 6.505) 6.865 5.203 ( -0.857 -2.338 7.957) 8.338 5.429 ( 0.332 4.321 6.128) 7.505 5.732 ( -3.815 -0.924 5.794) 6.998 5.752 ( 2.578 5.044 -5.656) 8.005 6.122 ( 2.488 -2.237 3.365) 4.745 6.134 ( -0.165 -2.609 -5.590) 6.171 6.175 ( -0.681 -2.738 0.461) 2.859 6.303 ( 4.433 0.276 -6.120) 7.562 6.340 ( 1.871 -0.905 -6.072) 6.418 6.662 ( -1.656 0.604 -2.575) 3.120 6.694 ( 3.750 1.870 -0.429) 4.212 6.982 ( -0.910 -4.922 1.246) 5.158 7.040 ( -1.320 -5.874 -2.335) 6.458 9.679 ( -0.541 0.659 0.666) 1.082 9.737 ( 0.518 -0.745 0.188) 0.926 9.775 ( -0.724 0.647 -0.110) 0.977 9.827 ( 1.838 -0.514 -3.088) 3.630 10.364 ( -1.889 0.868 6.497) 6.821 10.489 ( -0.419 -2.674 9.802) 10.169 10.641 ( 1.604 1.314 -2.981) 3.631 10.718 ( -0.400 -0.843 -0.463) 1.041 11.378 ( -2.785 0.280 9.025) 9.449 11.425 ( -0.816 -1.478 1.975) 2.598 11.533 ( 1.139 1.767 -2.138) 2.999 11.599 ( -0.103 -0.785 3.946) 4.025 11.645 ( -0.364 1.224 1.385) 1.884 11.773 ( 0.340 -3.280 -3.385) 4.726 11.917 ( 2.144 3.251 -9.035) 9.838 11.993 ( 2.743 0.382 -16.589) 16.818 ======================= Grid point 117 (67/87) ======================= q-point: (-0.29 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -3.144 3.125 4.277) 6.159 0.913 ( -2.149 0.047 0.675) 2.253 0.955 ( -2.805 0.199 -0.719) 2.902 1.028 ( 1.994 5.166 -1.153) 5.656 1.171 ( -0.906 -4.091 5.400) 6.835 1.291 ( -1.105 -5.273 -1.584) 5.615 1.356 ( -0.187 -0.444 0.009) 0.482 1.453 ( 1.349 -0.216 2.228) 2.614 1.636 ( 0.294 -1.496 -3.229) 3.571 1.647 ( 0.345 -0.782 -1.231) 1.499 1.837 ( 0.891 -0.207 1.674) 1.908 1.885 ( 2.269 -2.031 0.293) 3.060 1.992 ( -3.835 6.117 6.295) 9.579 2.244 ( 1.146 8.034 -6.257) 10.248 2.356 ( -1.987 -1.494 2.803) 3.747 2.715 ( 3.287 -0.153 -4.853) 5.863 2.864 ( -5.295 3.008 1.404) 6.249 3.070 ( -4.857 0.391 6.278) 7.947 3.269 ( 0.121 2.111 5.458) 5.853 3.308 ( -0.806 -1.000 1.461) 1.945 3.344 ( -2.375 3.412 12.122) 12.815 3.405 ( -4.169 3.813 9.508) 11.060 3.637 ( -3.804 0.418 8.560) 9.377 3.733 ( 1.588 -0.016 -2.332) 2.821 3.919 ( 1.993 -0.505 -0.679) 2.166 3.987 ( 2.921 2.002 -4.580) 5.790 4.053 ( 2.599 -0.911 -3.560) 4.501 4.160 ( 3.550 -2.185 -7.877) 8.912 4.875 ( 0.991 4.742 4.631) 6.702 4.967 ( 1.337 3.346 -7.139) 7.997 5.151 ( -1.549 -0.485 6.602) 6.798 5.228 ( -0.795 -2.648 6.928) 7.460 5.451 ( -0.759 3.457 3.141) 4.733 5.704 ( -1.764 -0.850 4.307) 4.731 5.778 ( 2.563 5.963 -3.502) 7.375 6.080 ( -4.130 -1.630 2.010) 4.874 6.128 ( 0.981 -1.068 -5.089) 5.292 6.228 ( 2.780 -5.405 -4.096) 7.329 6.341 ( 3.618 0.523 -6.980) 7.879 6.357 ( 0.928 -0.604 -2.506) 2.740 6.632 ( 3.184 -0.109 -3.876) 5.017 6.780 ( 3.407 1.266 0.185) 3.639 6.963 ( -1.292 -6.680 2.107) 7.123 7.035 ( 0.829 -3.516 1.076) 3.769 9.682 ( 0.334 0.846 0.986) 1.342 9.757 ( 1.028 -0.971 1.225) 1.870 9.783 ( 1.047 0.804 0.427) 1.388 9.855 ( 2.990 -0.876 -3.860) 4.960 10.357 ( -2.284 0.785 6.652) 7.077 10.537 ( 0.210 -5.068 7.526) 9.076 10.666 ( 2.102 1.233 -1.376) 2.798 10.709 ( -0.202 -0.447 -0.672) 0.832 11.371 ( -2.464 0.341 7.884) 8.267 11.419 ( -0.959 -1.194 2.809) 3.199 11.546 ( 1.429 2.391 -2.808) 3.955 11.615 ( -0.169 0.245 3.410) 3.423 11.654 ( 1.064 0.864 0.188) 1.384 11.758 ( -0.131 -2.621 -3.372) 4.273 11.910 ( 1.669 2.389 -7.773) 8.301 11.924 ( -0.929 1.476 -15.043) 15.143 ======================= Grid point 118 (68/87) ======================= q-point: (-0.14 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -1.387 1.143 5.661) 5.940 0.909 ( 1.104 1.647 0.884) 2.171 0.921 ( -0.069 -0.585 0.294) 0.658 1.046 ( 0.317 4.121 -1.175) 4.297 1.187 ( -1.103 -0.839 3.555) 3.815 1.247 ( -2.725 -4.393 4.360) 6.763 1.360 ( 0.712 -0.639 -0.068) 0.959 1.470 ( -0.507 -0.658 1.285) 1.530 1.618 ( -0.758 -2.007 -1.025) 2.377 1.653 ( 1.060 -0.872 -2.531) 2.879 1.861 ( 0.276 0.073 1.979) 1.999 1.920 ( -0.527 -0.805 3.274) 3.413 1.970 ( 0.282 5.587 2.299) 6.048 2.243 ( 1.433 9.692 -6.459) 11.735 2.346 ( -1.003 -3.101 4.155) 5.281 2.694 ( -0.046 -3.818 -11.882) 12.481 2.821 ( -1.120 6.561 7.991) 10.400 3.015 ( -4.961 1.415 10.472) 11.674 3.243 ( -2.825 0.188 -1.525) 3.215 3.319 ( -0.983 -1.256 5.879) 6.091 3.354 ( -2.792 3.245 7.666) 8.780 3.381 ( -3.214 1.645 12.818) 13.317 3.622 ( -2.141 2.427 8.816) 9.391 3.778 ( 2.934 2.863 -0.625) 4.147 3.931 ( 1.759 -1.173 -5.964) 6.327 4.033 ( 1.298 -1.568 -1.422) 2.483 4.069 ( 2.546 -0.409 -5.565) 6.133 4.192 ( 3.162 -2.259 -7.826) 8.738 4.907 ( -0.353 4.816 4.017) 6.281 4.964 ( 2.300 4.139 -6.527) 8.064 5.165 ( -0.860 0.022 6.792) 6.846 5.243 ( -1.292 -2.444 6.003) 6.609 5.436 ( -2.462 3.801 3.194) 5.542 5.709 ( 0.601 -1.428 1.849) 2.412 5.818 ( 2.667 6.088 -1.191) 6.753 5.998 ( -4.617 -0.900 1.655) 4.986 6.111 ( -0.637 0.098 -4.152) 4.202 6.222 ( 0.602 -4.595 -7.315) 8.660 6.315 ( -0.612 -1.444 -3.603) 3.929 6.381 ( 1.496 -0.464 -6.231) 6.425 6.739 ( 7.486 -0.937 -2.191) 7.856 6.827 ( 1.225 1.267 -0.017) 1.762 6.978 ( 1.124 -7.022 3.808) 8.067 7.061 ( 0.928 -3.466 1.323) 3.824 9.700 ( 0.875 0.936 0.875) 1.552 9.781 ( 0.326 -0.981 1.875) 2.141 9.803 ( 0.690 1.121 -0.096) 1.320 9.905 ( 4.281 -1.258 -5.063) 6.749 10.348 ( -2.474 0.497 7.446) 7.862 10.566 ( -0.846 -7.091 4.635) 8.513 10.691 ( 0.181 -0.084 -0.147) 0.248 10.709 ( 0.578 -0.374 -0.711) 0.989 11.367 ( -1.832 0.262 6.364) 6.628 11.419 ( -1.014 -0.749 3.573) 3.789 11.559 ( 1.622 2.547 -3.228) 4.420 11.637 ( 1.415 2.705 0.543) 3.101 11.691 ( 2.981 0.672 -1.571) 3.437 11.733 ( -0.766 -1.061 -1.625) 2.086 11.802 ( -3.478 2.601 -10.474) 11.339 11.907 ( 1.595 0.568 -6.444) 6.663 ======================= Grid point 119 (69/87) ======================= q-point: ( 0.00 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 0.146 4.615 5.330) 7.052 0.869 ( 1.180 -4.871 0.916) 5.095 1.026 ( 1.414 3.598 0.374) 3.884 1.075 ( -0.952 -0.152 -2.099) 2.310 1.202 ( -0.542 1.116 6.244) 6.366 1.216 ( 0.668 -1.025 7.169) 7.273 1.354 ( -1.086 2.922 -0.141) 3.120 1.449 ( -1.039 -1.819 -2.622) 3.356 1.543 ( -0.093 -2.305 -2.505) 3.405 1.571 ( -1.300 -3.939 -2.149) 4.671 1.888 ( 0.155 1.353 2.749) 3.068 1.919 ( 0.926 -1.686 2.608) 3.240 2.127 ( -0.331 6.881 2.749) 7.417 2.236 ( -1.406 -4.060 0.790) 4.368 2.449 ( 2.235 8.016 -6.834) 10.768 2.580 ( 2.552 -5.237 -9.159) 10.855 2.963 ( -0.690 3.967 9.050) 9.906 3.011 ( -2.320 -0.572 9.834) 10.121 3.190 ( -4.116 1.709 7.385) 8.626 3.245 ( -3.703 -3.410 6.333) 8.090 3.399 ( -1.927 3.150 6.395) 7.385 3.430 ( -0.618 0.065 4.696) 4.737 3.736 ( -1.558 6.174 8.400) 10.540 3.871 ( -1.869 -6.770 5.350) 8.828 3.898 ( 1.808 5.068 -5.251) 7.518 3.972 ( 2.348 -2.203 -7.782) 8.422 4.105 ( 2.702 1.838 -7.110) 7.825 4.153 ( 2.732 -2.670 -7.641) 8.543 5.014 ( -2.195 5.936 4.956) 8.039 5.091 ( 1.527 5.874 -2.826) 6.695 5.122 ( -2.326 -4.642 6.139) 8.040 5.191 ( 0.175 -3.655 0.333) 3.674 5.528 ( -2.938 8.562 6.494) 11.140 5.681 ( 0.200 -6.026 5.253) 7.997 5.907 ( -2.489 3.634 -2.499) 5.064 6.002 ( 0.006 -5.220 -4.618) 6.969 6.035 ( 2.376 5.444 -3.732) 7.015 6.147 ( 4.179 -3.618 -7.386) 9.225 6.270 ( -2.845 2.384 0.442) 3.739 6.341 ( -0.871 -2.429 -3.364) 4.240 6.839 ( -2.297 3.336 -0.451) 4.075 6.857 ( 3.102 1.427 -0.795) 3.506 6.921 ( 4.532 -5.139 0.942) 6.917 6.952 ( -0.616 -7.205 -0.984) 7.298 9.741 ( 0.226 1.219 0.967) 1.573 9.766 ( -0.399 -1.205 1.374) 1.870 9.854 ( 1.138 2.719 -2.019) 3.573 9.909 ( 2.205 -2.748 -3.955) 5.297 10.360 ( -2.620 1.723 8.636) 9.188 10.421 ( -3.421 -4.767 8.450) 10.287 10.688 ( -0.387 0.471 -1.173) 1.322 10.699 ( 0.246 -0.601 -0.977) 1.173 11.374 ( -1.368 0.573 4.968) 5.185 11.391 ( -1.478 -1.129 4.124) 4.524 11.613 ( 0.365 2.270 -4.344) 4.915 11.651 ( 0.117 -1.516 -6.370) 6.549 11.745 ( 0.341 0.790 -1.298) 1.557 11.749 ( 2.204 0.319 -2.008) 2.999 11.817 ( 2.711 4.238 -4.606) 6.821 11.880 ( 1.290 -2.063 -5.512) 6.026 ======================= Grid point 120 (70/87) ======================= q-point: ( 0.14 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 1.897 4.060 4.258) 6.182 0.905 ( 1.658 -3.876 -0.157) 4.219 1.035 ( 0.029 1.646 -2.900) 3.335 1.051 ( 0.350 0.264 -1.647) 1.705 1.220 ( -0.860 5.755 5.839) 8.244 1.274 ( 0.622 -2.863 7.782) 8.316 1.335 ( -0.622 0.539 0.003) 0.824 1.403 ( -1.642 -1.331 -3.088) 3.742 1.521 ( -0.905 -1.499 -1.537) 2.330 1.545 ( -0.323 -5.631 -1.554) 5.850 1.895 ( -0.750 2.813 1.334) 3.202 1.945 ( 0.439 -2.283 0.503) 2.379 2.139 ( -0.281 5.415 4.312) 6.928 2.227 ( -0.125 -3.230 2.253) 3.940 2.444 ( 1.532 8.251 -7.820) 11.471 2.580 ( 2.207 -5.525 -8.960) 10.755 3.019 ( 1.301 2.585 7.776) 8.297 3.038 ( -1.070 0.757 11.090) 11.167 3.184 ( -0.901 1.863 9.203) 9.432 3.227 ( -2.142 -2.565 8.924) 9.529 3.393 ( -2.105 3.770 5.603) 7.074 3.436 ( -0.646 -0.364 1.783) 1.931 3.709 ( -4.486 3.886 5.150) 7.857 3.817 ( -5.185 -6.766 3.719) 9.300 3.906 ( 2.235 6.328 -4.668) 8.175 3.991 ( 2.985 -2.088 -8.145) 8.922 4.123 ( 2.662 1.971 -6.591) 7.377 4.169 ( 2.149 -2.199 -5.095) 5.951 4.988 ( -2.832 5.880 4.292) 7.811 5.079 ( -2.859 -1.201 5.174) 6.032 5.119 ( 0.334 1.378 -1.208) 1.862 5.183 ( -1.305 -2.603 1.161) 3.135 5.514 ( -1.945 10.283 6.671) 12.411 5.717 ( 0.229 -9.266 5.099) 10.579 5.866 ( -0.158 5.611 -3.212) 6.467 5.973 ( -0.059 -4.921 -2.792) 5.659 6.087 ( 3.608 4.061 -3.231) 6.320 6.195 ( 3.932 0.977 -5.753) 7.036 6.213 ( -2.699 -1.742 1.023) 3.372 6.301 ( -1.374 -3.195 -2.585) 4.333 6.751 ( -4.624 4.807 -1.212) 6.779 6.850 ( -2.886 -2.566 -0.921) 3.970 6.963 ( 1.792 -3.775 -2.208) 4.727 6.995 ( 2.229 -5.167 -0.793) 5.682 9.743 ( -0.445 0.634 0.538) 0.943 9.756 ( -1.068 -0.632 0.673) 1.412 9.855 ( 0.173 2.749 -2.458) 3.691 9.910 ( -0.056 -2.716 -3.835) 4.699 10.361 ( -2.067 1.237 8.872) 9.193 10.402 ( -2.969 -3.068 8.871) 9.845 10.672 ( -0.254 1.383 -1.644) 2.164 10.701 ( 0.205 -1.473 -0.228) 1.505 11.377 ( -1.122 0.211 5.452) 5.570 11.387 ( -0.973 -0.721 3.708) 3.900 11.581 ( -1.469 1.456 -1.967) 2.854 11.605 ( -1.331 -0.924 -4.665) 4.938 11.723 ( -1.270 2.691 1.080) 3.166 11.764 ( 0.127 -1.483 -0.992) 1.789 11.887 ( 6.344 1.326 -9.092) 11.166 11.905 ( 4.611 -0.402 -8.261) 9.469 ======================= Grid point 121 (71/87) ======================= q-point: ( 0.29 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 0.873 3.179 2.512) 4.144 0.932 ( 1.590 -2.610 -0.058) 3.056 1.030 ( 1.794 1.886 -4.701) 5.374 1.054 ( 0.567 -1.379 -1.931) 2.439 1.212 ( -2.215 7.498 0.879) 7.868 1.308 ( -0.879 -3.632 3.362) 5.026 1.340 ( 0.228 -1.547 2.641) 3.069 1.366 ( -0.225 -0.801 -1.603) 1.806 1.505 ( -0.251 -2.085 -0.088) 2.102 1.533 ( 0.061 -4.545 -0.523) 4.576 1.870 ( -1.960 3.631 -0.054) 4.127 1.930 ( -1.672 -2.398 -1.333) 3.213 2.162 ( 0.069 4.478 4.346) 6.241 2.252 ( -0.087 -4.432 5.989) 7.451 2.448 ( 3.961 8.221 -8.816) 12.689 2.574 ( 2.113 -4.673 -8.744) 10.137 3.063 ( -2.580 2.539 10.817) 11.407 3.079 ( -0.545 0.841 9.559) 9.612 3.246 ( 2.114 2.535 7.129) 7.856 3.261 ( -0.773 -0.490 14.408) 14.437 3.373 ( -2.574 4.088 4.286) 6.458 3.426 ( 0.096 -0.321 -2.541) 2.563 3.649 ( -3.378 1.769 3.838) 5.410 3.734 ( -4.124 -6.164 1.792) 7.630 3.930 ( 1.980 4.949 -3.423) 6.335 4.000 ( 2.403 -1.484 -7.700) 8.201 4.130 ( 1.019 1.633 -4.871) 5.237 4.168 ( 0.187 -1.482 -4.680) 4.913 4.954 ( -2.636 6.175 3.792) 7.711 5.057 ( -2.678 -4.005 7.553) 8.959 5.106 ( -0.412 2.981 -3.036) 4.275 5.161 ( -1.680 -2.136 2.571) 3.741 5.522 ( -0.950 10.770 6.198) 12.462 5.730 ( -1.653 -9.421 4.437) 10.544 5.857 ( 1.121 7.458 -4.229) 8.647 5.973 ( 1.488 -3.630 -2.576) 4.693 6.121 ( -0.105 0.615 2.029) 2.123 6.165 ( -2.541 -1.935 1.793) 3.663 6.249 ( 3.602 -1.124 -6.479) 7.498 6.278 ( 1.888 -1.931 -4.350) 5.120 6.669 ( -2.183 5.969 -1.438) 6.516 6.785 ( -2.608 -3.966 -1.103) 4.873 6.960 ( -0.758 -2.226 -2.857) 3.700 7.003 ( -0.608 -5.242 -1.929) 5.618 9.730 ( -1.145 0.303 0.213) 1.203 9.736 ( -0.875 -0.348 -0.123) 0.950 9.837 ( -0.466 1.706 -2.403) 2.984 9.870 ( -1.833 -1.575 -2.867) 3.750 10.371 ( -1.680 1.167 8.319) 8.567 10.402 ( -2.004 -1.978 9.095) 9.521 10.662 ( 0.262 1.910 -2.004) 2.781 10.702 ( 0.057 -2.047 -0.492) 2.106 11.385 ( -1.468 0.253 6.566) 6.733 11.394 ( -0.436 -0.707 3.790) 3.880 11.551 ( -0.751 0.483 -0.319) 0.948 11.562 ( -0.812 -0.531 -2.211) 2.414 11.706 ( -1.288 2.541 1.510) 3.225 11.753 ( -0.775 -2.280 -0.395) 2.440 11.944 ( 4.901 1.375 -10.906) 12.036 11.959 ( 5.907 -0.169 -12.186) 13.543 ======================= Grid point 122 (72/87) ======================= q-point: (-0.57 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -0.587 3.839 2.316) 4.522 0.966 ( 1.125 -3.141 0.292) 3.349 1.043 ( -0.813 -0.913 -1.662) 2.064 1.047 ( 1.822 0.517 -3.335) 3.835 1.154 ( -2.406 6.364 -2.866) 7.382 1.267 ( -2.244 -5.357 -3.627) 6.847 1.364 ( 0.016 -0.316 3.007) 3.024 1.374 ( 1.114 0.818 0.474) 1.461 1.522 ( 1.874 -2.432 1.201) 3.297 1.551 ( 1.824 -4.121 -0.498) 4.534 1.830 ( -1.598 2.406 -0.252) 2.899 1.874 ( -2.770 -2.021 -1.420) 3.711 2.178 ( -1.169 5.753 4.825) 7.599 2.277 ( -0.671 -3.858 5.641) 6.867 2.488 ( 3.432 5.584 -8.335) 10.603 2.577 ( 3.361 -2.996 -7.994) 9.175 3.056 ( -3.968 3.141 11.370) 12.445 3.099 ( -2.635 -1.115 10.241) 10.633 3.305 ( -2.341 2.822 8.831) 9.562 3.321 ( -0.815 1.083 9.698) 9.792 3.366 ( 0.774 5.056 5.735) 7.684 3.433 ( 2.666 -0.027 -3.375) 4.301 3.621 ( -1.839 -0.055 4.818) 5.157 3.683 ( -1.634 -5.486 1.039) 5.818 3.942 ( 1.111 4.249 -3.124) 5.389 3.998 ( 0.932 -0.564 -5.741) 5.843 4.106 ( -1.297 1.526 -2.922) 3.542 4.135 ( 0.264 -1.407 -7.105) 7.248 4.933 ( -1.334 6.509 3.821) 7.665 5.044 ( -1.783 -3.727 2.997) 5.104 5.092 ( -0.189 2.073 1.665) 2.666 5.148 ( -1.172 -2.605 3.014) 4.152 5.538 ( -0.778 9.589 6.059) 11.370 5.709 ( -2.564 -6.761 4.505) 8.519 5.864 ( 2.035 8.026 -4.817) 9.579 6.000 ( 2.654 -4.375 -2.884) 5.874 6.108 ( -1.761 -1.962 1.104) 2.859 6.129 ( -2.356 -3.754 3.897) 5.902 6.277 ( 3.397 1.387 -7.054) 7.951 6.308 ( 2.728 -1.600 -5.822) 6.625 6.666 ( 2.173 4.879 -0.207) 5.345 6.744 ( -1.174 -1.704 -0.898) 2.256 6.914 ( -1.745 -2.484 -2.467) 3.912 6.959 ( -2.332 -5.879 -2.561) 6.824 9.707 ( -0.958 0.686 0.054) 1.180 9.722 ( -0.476 -0.731 -0.184) 0.891 9.816 ( -0.492 0.197 -1.767) 1.845 9.819 ( -1.416 -0.040 -2.268) 2.674 10.383 ( -1.569 1.434 7.699) 7.987 10.417 ( -1.572 -1.970 8.943) 9.291 10.661 ( 0.804 1.847 -2.297) 3.055 10.698 ( 0.114 -1.886 -1.120) 2.196 11.389 ( -1.913 0.498 7.018) 7.291 11.403 ( -1.044 -0.969 4.322) 4.551 11.545 ( 0.635 0.643 -1.139) 1.454 11.559 ( 0.564 -0.803 0.967) 1.378 11.688 ( -1.246 2.218 1.417) 2.912 11.733 ( -0.866 -2.449 -0.452) 2.636 11.969 ( 3.870 1.988 -11.898) 12.669 11.995 ( 4.748 -0.658 -13.959) 14.760 ======================= Grid point 123 (73/87) ======================= q-point: (-0.43 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -2.902 5.317 3.285) 6.891 0.960 ( -1.686 -2.217 -0.262) 2.798 1.005 ( -1.871 0.198 -2.080) 2.804 1.062 ( 0.530 -3.896 0.392) 3.951 1.117 ( 0.430 5.762 -2.222) 6.190 1.212 ( -1.137 -4.989 -2.672) 5.773 1.369 ( 0.060 2.094 0.457) 2.144 1.413 ( 1.903 -0.216 0.948) 2.137 1.569 ( 2.113 -2.703 -1.421) 3.713 1.589 ( 2.136 -3.218 -1.379) 4.101 1.816 ( 0.047 0.325 1.015) 1.067 1.828 ( -0.878 -1.047 0.154) 1.375 2.167 ( -2.656 6.984 5.369) 9.201 2.279 ( -1.907 -3.984 4.541) 6.335 2.481 ( 1.082 7.448 -8.522) 11.369 2.615 ( 4.030 -5.297 -8.448) 10.755 3.027 ( -4.950 4.444 10.527) 12.453 3.091 ( -3.746 -2.125 10.291) 11.156 3.294 ( -2.830 2.149 7.945) 8.703 3.313 ( -3.196 -0.092 7.393) 8.054 3.423 ( 0.676 4.646 2.540) 5.338 3.468 ( 0.491 0.553 2.100) 2.227 3.632 ( -0.192 0.727 6.746) 6.788 3.683 ( 0.890 -3.400 0.811) 3.606 3.941 ( 0.398 3.260 -2.594) 4.185 3.985 ( 0.779 -0.701 -3.978) 4.114 4.067 ( -0.256 2.255 -3.635) 4.285 4.110 ( 1.105 -2.230 -7.081) 7.506 4.945 ( 0.257 6.230 4.430) 7.648 5.030 ( 0.201 -0.116 -1.045) 1.071 5.106 ( -0.465 -1.088 4.724) 4.870 5.147 ( -0.532 -3.117 2.913) 4.300 5.554 ( -1.027 7.759 5.819) 9.753 5.684 ( -2.601 -4.620 5.439) 7.596 5.887 ( 3.091 8.099 -5.510) 10.272 6.036 ( 2.856 -6.656 -6.212) 9.542 6.091 ( -1.004 -0.781 3.890) 4.093 6.114 ( -0.716 -2.961 2.098) 3.699 6.310 ( 3.742 0.436 -6.557) 7.563 6.322 ( 2.661 -0.824 -6.964) 7.500 6.699 ( -2.133 3.166 -1.802) 4.221 6.733 ( 2.968 1.241 -0.221) 3.225 6.881 ( -1.649 -3.747 -0.663) 4.147 6.911 ( 0.380 -5.917 -0.985) 6.010 9.697 ( -0.227 1.065 0.527) 1.210 9.718 ( 0.175 -1.100 0.330) 1.161 9.792 ( -0.043 1.035 -0.931) 1.393 9.812 ( 0.928 -0.971 -2.089) 2.484 10.390 ( -1.899 1.822 7.292) 7.753 10.434 ( -1.489 -2.700 8.475) 9.018 10.669 ( 1.220 1.437 -2.284) 2.962 10.696 ( 0.382 -1.326 -1.454) 2.004 11.386 ( -2.118 0.578 6.918) 7.258 11.401 ( -1.419 -0.991 4.421) 4.747 11.562 ( 1.615 1.228 -1.362) 2.444 11.583 ( 1.046 -0.892 1.386) 1.952 11.675 ( -0.716 1.858 1.122) 2.286 11.717 ( -0.415 -2.514 -0.737) 2.652 11.969 ( 2.585 2.032 -11.723) 12.175 11.994 ( 2.755 -0.517 -14.109) 14.385 ======================= Grid point 124 (74/87) ======================= q-point: (-0.29 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -3.913 5.509 3.986) 7.845 0.910 ( -2.931 -3.458 -0.040) 4.533 0.969 ( -0.188 4.218 -1.236) 4.399 1.078 ( 0.512 -5.561 1.545) 5.794 1.129 ( 0.622 4.008 1.445) 4.306 1.193 ( -0.546 -3.676 1.239) 3.917 1.377 ( 0.766 3.263 -1.199) 3.560 1.450 ( 1.398 -1.750 0.059) 2.241 1.579 ( 0.366 -1.651 -3.158) 3.583 1.610 ( 0.608 -2.935 -1.258) 3.250 1.835 ( 1.021 0.131 1.956) 2.210 1.848 ( 1.426 -1.361 2.075) 2.862 2.138 ( -2.691 7.614 4.647) 9.318 2.264 ( -1.536 -4.957 3.838) 6.455 2.453 ( 1.037 9.498 -8.632) 12.877 2.624 ( 1.843 -7.564 -10.182) 12.817 2.982 ( -4.994 6.314 10.472) 13.209 3.063 ( -4.475 -1.900 9.599) 10.760 3.281 ( -3.413 0.348 9.602) 10.196 3.292 ( -1.996 -0.616 4.365) 4.839 3.426 ( -1.826 3.598 5.110) 6.511 3.462 ( -2.431 0.600 2.919) 3.846 3.668 ( -0.165 2.891 6.219) 6.860 3.719 ( 2.476 -1.712 1.442) 3.338 3.935 ( 0.200 2.190 -2.386) 3.245 3.987 ( 1.497 -2.354 -4.710) 5.474 4.062 ( 1.860 2.204 -4.344) 5.214 4.112 ( 2.743 -2.640 -5.903) 7.024 4.984 ( 0.668 5.802 5.301) 7.887 5.041 ( 1.784 2.695 -2.664) 4.189 5.119 ( -0.955 -2.093 5.412) 5.880 5.158 ( 0.240 -3.898 2.113) 4.440 5.558 ( -1.554 6.730 5.272) 8.690 5.666 ( -2.275 -3.578 5.881) 7.250 5.925 ( 3.934 7.998 -6.662) 11.128 6.040 ( 0.442 -2.894 -4.698) 5.535 6.090 ( -0.229 -2.148 0.018) 2.161 6.117 ( -0.224 -4.708 -0.017) 4.713 6.343 ( 2.161 0.163 -5.839) 6.228 6.350 ( 3.408 -0.364 -6.242) 7.121 6.660 ( 0.885 3.496 -1.686) 3.981 6.763 ( 0.627 -5.400 -0.118) 5.437 6.873 ( 0.994 0.887 0.956) 1.640 6.944 ( 1.815 -4.991 0.700) 5.357 9.705 ( 0.537 1.389 1.075) 1.837 9.733 ( 0.812 -1.438 1.160) 2.018 9.804 ( 1.500 1.319 -0.625) 2.093 9.832 ( 2.209 -1.397 -2.236) 3.439 10.385 ( -2.513 2.183 7.241) 7.969 10.445 ( -1.971 -4.038 7.971) 9.150 10.684 ( 1.317 0.756 -1.912) 2.442 10.697 ( 0.524 -0.681 -1.415) 1.656 11.381 ( -1.956 0.694 6.223) 6.560 11.398 ( -1.320 -1.014 4.584) 4.877 11.589 ( 2.186 1.905 -3.079) 4.229 11.615 ( 1.969 -0.565 -0.324) 2.074 11.676 ( 0.381 1.310 0.884) 1.626 11.709 ( -0.004 -2.212 -0.745) 2.334 11.946 ( 1.088 1.121 -10.149) 10.269 11.950 ( 0.018 0.787 -12.268) 12.293 ======================= Grid point 125 (75/87) ======================= q-point: (-0.14 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -2.717 4.866 4.676) 7.275 0.865 ( -1.230 -4.340 0.362) 4.526 0.987 ( 1.640 5.297 1.254) 5.685 1.091 ( 0.288 -3.345 -0.825) 3.457 1.158 ( 0.487 1.053 5.942) 6.054 1.196 ( -0.692 -1.492 3.879) 4.213 1.375 ( -0.480 3.717 -1.020) 3.885 1.465 ( 0.416 -2.347 -1.271) 2.701 1.562 ( -0.305 -1.259 -2.697) 2.992 1.602 ( -0.495 -3.385 -1.891) 3.909 1.865 ( 0.564 0.533 2.940) 3.041 1.887 ( 0.898 -1.664 2.928) 3.486 2.122 ( -0.886 8.015 2.860) 8.556 2.257 ( -1.349 -5.769 2.890) 6.592 2.439 ( 2.287 9.277 -8.059) 12.500 2.593 ( 1.289 -6.535 -10.270) 12.241 2.953 ( -3.442 5.823 10.252) 12.283 3.026 ( -4.168 -1.327 9.413) 10.379 3.246 ( -4.501 0.953 6.378) 7.864 3.281 ( -2.800 -2.157 6.802) 7.666 3.418 ( -3.323 1.856 4.971) 6.260 3.420 ( -1.377 1.702 4.878) 5.347 3.701 ( -0.037 5.563 7.588) 9.409 3.802 ( 4.313 -2.882 2.495) 5.756 3.917 ( -0.491 1.975 -2.743) 3.416 3.983 ( 1.084 -3.465 -6.202) 7.186 4.086 ( 2.799 2.104 -5.412) 6.446 4.138 ( 2.982 -2.975 -6.964) 8.139 5.016 ( -0.689 5.843 5.514) 8.063 5.067 ( 2.325 5.233 -3.506) 6.714 5.128 ( -1.598 -3.563 6.600) 7.669 5.176 ( 0.804 -4.255 0.623) 4.375 5.550 ( -2.295 7.049 5.583) 9.280 5.661 ( -1.226 -3.818 5.626) 6.908 5.963 ( 2.970 6.960 -7.808) 10.873 5.994 ( -2.151 1.161 -1.541) 2.890 6.073 ( -2.119 -3.743 -1.346) 4.507 6.113 ( 2.710 -5.470 -6.230) 8.722 6.318 ( -1.490 2.210 -2.836) 3.891 6.366 ( 1.089 -1.637 -5.550) 5.888 6.737 ( 6.412 1.422 -0.521) 6.589 6.813 ( 4.211 -5.640 1.639) 7.227 6.887 ( -0.613 2.034 0.503) 2.183 6.968 ( 0.069 -5.242 0.161) 5.244 9.725 ( 0.737 1.527 1.218) 2.087 9.756 ( 0.534 -1.552 1.602) 2.293 9.833 ( 1.700 1.874 -1.166) 2.786 9.872 ( 3.094 -1.995 -3.035) 4.771 10.371 ( -2.898 2.155 7.809) 8.603 10.440 ( -2.878 -5.125 7.941) 9.880 10.693 ( 0.420 0.256 -1.166) 1.265 10.700 ( 0.479 -0.450 -1.579) 1.710 11.376 ( -1.678 0.777 5.453) 5.758 11.397 ( -1.371 -1.244 4.516) 4.880 11.612 ( 2.161 2.705 -5.009) 6.090 11.654 ( 3.016 -1.168 -5.420) 6.312 11.704 ( 2.278 0.554 -0.178) 2.351 11.713 ( 0.865 -0.574 0.755) 1.284 11.868 ( -2.224 3.238 -8.106) 9.007 11.907 ( -0.085 -0.789 -7.208) 7.251 ======================= Grid point 140 (76/87) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -3.253 0.000 -2.413) 4.050 0.820 ( 3.253 0.000 2.413) 4.050 0.977 ( -1.483 0.000 -2.468) 2.879 0.977 ( 1.483 0.000 2.468) 2.879 1.269 ( 1.544 0.000 -7.144) 7.309 1.269 ( -1.544 0.000 7.144) 7.309 1.461 ( -0.380 0.000 -4.824) 4.839 1.461 ( 0.380 0.000 4.824) 4.839 1.647 ( 3.210 0.000 -1.934) 3.747 1.647 ( -3.210 0.000 1.934) 3.747 1.880 ( 3.124 0.000 -5.633) 6.441 1.880 ( -3.124 0.000 5.633) 6.441 2.036 ( -1.410 0.000 -3.954) 4.198 2.036 ( 1.410 0.000 3.954) 4.198 2.489 ( 3.748 0.000 -8.991) 9.741 2.489 ( -3.748 0.000 8.991) 9.741 2.964 ( -2.019 0.000 -9.170) 9.389 2.964 ( 2.019 0.000 9.170) 9.389 3.216 ( 1.563 0.000 -7.873) 8.027 3.216 ( -1.563 0.000 7.873) 8.027 3.625 ( 1.687 0.000 -11.514) 11.637 3.625 ( -1.687 0.000 11.514) 11.637 3.723 ( 6.140 0.000 -17.494) 18.540 3.723 ( -6.140 0.000 17.494) 18.540 3.821 ( 2.403 0.000 -12.038) 12.276 3.821 ( -2.403 0.000 12.038) 12.276 4.124 ( 1.177 0.000 -1.998) 2.319 4.124 ( -1.177 0.000 1.998) 2.319 4.874 ( 2.510 0.000 -1.879) 3.135 4.874 ( -2.510 0.000 1.879) 3.135 5.280 ( -0.311 0.000 -2.602) 2.620 5.280 ( 0.311 0.000 2.602) 2.620 5.556 ( 3.788 0.000 -11.702) 12.300 5.556 ( -3.788 0.000 11.702) 12.300 5.973 ( -1.471 0.000 -4.088) 4.345 5.973 ( 1.471 0.000 4.088) 4.345 6.052 ( 1.437 0.000 -8.310) 8.434 6.052 ( -1.437 0.000 8.310) 8.434 6.298 ( -3.326 0.000 0.933) 3.454 6.298 ( 3.326 0.000 -0.933) 3.454 6.818 ( 3.360 0.000 -1.585) 3.715 6.818 ( -3.360 0.000 1.585) 3.715 7.132 ( 0.319 0.000 -1.319) 1.357 7.132 ( -0.319 0.000 1.319) 1.357 9.749 ( 0.051 0.000 -2.864) 2.865 9.749 ( -0.051 0.000 2.864) 2.865 9.858 ( 2.650 0.000 -4.897) 5.568 9.858 ( -2.650 0.000 4.897) 5.568 10.525 ( 1.836 0.000 -9.435) 9.612 10.525 ( -1.836 0.000 9.435) 9.612 10.703 ( -4.054 0.000 1.224) 4.235 10.703 ( 4.054 0.000 -1.224) 4.235 11.506 ( 4.359 0.000 -6.852) 8.121 11.506 ( -4.359 0.000 6.852) 8.121 11.514 ( 0.811 0.000 -8.058) 8.099 11.514 ( -0.811 0.000 8.058) 8.099 11.648 ( 2.589 0.000 -4.103) 4.852 11.648 ( -2.589 0.000 4.103) 4.852 11.797 ( 1.240 0.000 -5.255) 5.400 11.797 ( -1.240 0.000 5.255) 5.400 ======================= Grid point 142 (77/87) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -1.051 0.000 -3.388) 3.547 0.882 ( 1.700 0.000 1.820) 2.490 0.937 ( -0.844 0.000 -2.205) 2.361 1.010 ( 0.716 0.000 0.538) 0.896 1.277 ( -1.745 0.000 6.667) 6.892 1.278 ( 2.885 0.000 -4.975) 5.751 1.423 ( -0.424 0.000 -5.144) 5.161 1.487 ( 0.026 0.000 2.784) 2.784 1.602 ( -1.668 0.000 1.222) 2.068 1.677 ( 0.583 0.000 -2.583) 2.648 1.850 ( -3.021 0.000 5.870) 6.602 1.906 ( 2.041 0.000 -4.944) 5.349 2.010 ( 1.135 0.000 -3.691) 3.862 2.087 ( 1.246 0.000 2.056) 2.405 2.493 ( -0.790 0.000 11.744) 11.771 2.508 ( 2.425 0.000 -8.784) 9.113 2.887 ( -0.846 0.000 -7.927) 7.972 3.057 ( 2.159 0.000 8.997) 9.253 3.187 ( 0.907 0.000 -9.463) 9.506 3.207 ( -2.811 0.000 5.721) 6.374 3.613 ( 2.468 0.000 -7.115) 7.531 3.642 ( -4.315 0.000 14.519) 15.147 3.697 ( -5.134 0.000 15.684) 16.503 3.739 ( 4.750 0.000 -17.471) 18.105 3.829 ( 5.597 0.000 -15.198) 16.196 3.861 ( -0.096 0.000 9.829) 9.829 4.103 ( -2.261 0.000 3.759) 4.386 4.110 ( -1.781 0.000 -2.314) 2.920 4.834 ( -2.398 0.000 2.243) 3.284 4.901 ( 1.292 0.000 -2.644) 2.943 5.260 ( -0.317 0.000 -1.748) 1.776 5.292 ( -0.827 0.000 3.375) 3.475 5.533 ( -4.573 0.000 11.783) 12.639 5.552 ( 2.260 0.000 -10.698) 10.934 5.946 ( 1.882 0.000 -9.051) 9.245 6.026 ( 0.311 0.000 3.611) 3.624 6.066 ( 3.757 0.000 -4.186) 5.625 6.078 ( -1.010 0.000 8.868) 8.926 6.263 ( -0.059 0.000 3.185) 3.185 6.342 ( 0.595 0.000 0.265) 0.652 6.712 ( -7.565 0.000 1.298) 7.675 6.829 ( -0.994 0.000 -1.392) 1.711 7.123 ( -0.872 0.000 -1.353) 1.609 7.127 ( 0.331 0.000 -3.027) 3.045 9.734 ( 0.285 0.000 -3.414) 3.426 9.760 ( -0.292 0.000 2.414) 2.432 9.817 ( -3.657 0.000 4.172) 5.548 9.862 ( 0.440 0.000 -5.103) 5.121 10.510 ( 1.739 0.000 -8.749) 8.920 10.531 ( -2.838 0.000 8.944) 9.383 10.643 ( -3.040 0.000 4.977) 5.832 10.757 ( 1.189 0.000 -0.426) 1.263 11.457 ( -2.749 0.000 4.027) 4.876 11.483 ( 0.562 0.000 -6.572) 6.596 11.559 ( -0.252 0.000 10.867) 10.870 11.562 ( 4.831 0.000 -8.868) 10.098 11.629 ( -1.327 0.000 3.710) 3.941 11.682 ( 3.094 0.000 -4.902) 5.797 11.789 ( 0.857 0.000 -5.255) 5.324 11.796 ( -1.384 0.000 3.999) 4.232 ======================= Grid point 143 (78/87) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 2.983 0.000 -3.921) 4.927 0.907 ( -0.599 0.000 2.653) 2.720 0.937 ( 2.000 0.000 -1.141) 2.302 1.009 ( 0.232 0.000 -2.737) 2.747 1.272 ( -1.850 0.000 5.748) 6.038 1.315 ( 2.506 0.000 -3.368) 4.198 1.401 ( 0.250 0.000 -2.821) 2.832 1.485 ( -1.334 0.000 0.258) 1.359 1.597 ( 0.478 0.000 0.688) 0.838 1.653 ( -1.402 0.000 -0.679) 1.558 1.824 ( -2.321 0.000 5.171) 5.668 1.898 ( 0.024 0.000 -4.732) 4.732 2.046 ( 4.175 0.000 -4.035) 5.806 2.094 ( -0.974 0.000 1.116) 1.481 2.485 ( 0.351 0.000 -7.895) 7.903 2.560 ( -0.798 0.000 11.904) 11.931 2.865 ( 3.117 0.000 -5.331) 6.175 3.120 ( -1.785 0.000 6.812) 7.042 3.177 ( 3.027 0.000 -7.790) 8.358 3.189 ( -0.775 0.000 5.789) 5.841 3.613 ( -4.888 0.000 11.317) 12.327 3.635 ( 3.261 0.000 -7.723) 8.383 3.698 ( -3.674 0.000 15.887) 16.306 3.721 ( 3.011 0.000 -16.599) 16.870 3.871 ( 6.735 0.000 -15.436) 16.841 3.905 ( -1.317 0.000 10.824) 10.904 4.033 ( -3.556 0.000 -4.015) 5.363 4.067 ( -3.618 0.000 3.699) 5.174 4.812 ( -1.401 0.000 3.977) 4.217 4.895 ( -0.051 0.000 -4.032) 4.032 5.256 ( 0.857 0.000 -1.553) 1.774 5.288 ( -1.373 0.000 3.794) 4.035 5.517 ( -3.236 0.000 11.767) 12.204 5.544 ( 2.460 0.000 -9.513) 9.826 5.938 ( 3.235 0.000 -12.452) 12.865 6.010 ( -3.905 0.000 6.819) 7.858 6.105 ( -0.700 0.000 8.475) 8.504 6.143 ( 4.854 0.000 -2.062) 5.274 6.316 ( -2.745 0.000 -1.148) 2.976 6.321 ( 1.938 0.000 2.871) 3.464 6.578 ( -4.802 0.000 1.509) 5.033 6.782 ( -2.824 0.000 -1.344) 3.127 7.087 ( -1.425 0.000 -1.793) 2.291 7.111 ( -0.220 0.000 -3.502) 3.509 9.725 ( 0.874 0.000 -4.037) 4.130 9.757 ( -1.589 0.000 1.502) 2.187 9.772 ( -2.417 0.000 4.190) 4.838 9.824 ( -1.464 0.000 -4.210) 4.457 10.502 ( 2.015 0.000 -8.065) 8.313 10.515 ( -3.010 0.000 8.149) 8.687 10.637 ( -1.413 0.000 7.364) 7.499 10.742 ( -1.248 0.000 -3.506) 3.722 11.444 ( -0.871 0.000 3.433) 3.541 11.464 ( 0.565 0.000 -4.487) 4.522 11.599 ( 4.019 0.000 -9.670) 10.472 11.608 ( -1.743 0.000 11.765) 11.893 11.643 ( 0.814 0.000 4.926) 4.992 11.713 ( 2.971 0.000 -6.349) 7.010 11.777 ( 0.461 0.000 -3.748) 3.776 11.785 ( -1.360 0.000 2.228) 2.610 ======================= Grid point 144 (79/87) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 4.154 0.000 -3.294) 5.302 0.876 ( -3.762 0.000 2.724) 4.645 0.988 ( 2.459 0.000 -0.174) 2.465 1.008 ( 0.641 0.000 -1.880) 1.986 1.284 ( 0.331 0.000 5.708) 5.718 1.331 ( 0.650 0.000 -6.277) 6.310 1.385 ( -0.276 0.000 2.044) 2.062 1.435 ( -2.890 0.000 -1.623) 3.314 1.618 ( 1.235 0.000 -0.458) 1.317 1.634 ( -0.779 0.000 0.850) 1.153 1.828 ( 0.161 0.000 4.644) 4.647 1.866 ( -0.784 0.000 -4.112) 4.186 2.086 ( -0.951 0.000 4.173) 4.280 2.091 ( 2.304 0.000 -6.293) 6.702 2.479 ( 3.331 0.000 -4.821) 5.860 2.546 ( -5.044 0.000 6.292) 8.064 2.951 ( 6.461 0.000 -2.108) 6.796 3.062 ( -5.638 0.000 3.284) 6.525 3.211 ( 3.446 0.000 -5.998) 6.918 3.222 ( -0.671 0.000 6.065) 6.102 3.598 ( -2.708 0.000 12.392) 12.684 3.631 ( 1.592 0.000 -12.400) 12.502 3.705 ( 4.164 0.000 -14.104) 14.705 3.709 ( -3.775 0.000 14.761) 15.236 3.913 ( 4.185 0.000 -11.829) 12.547 3.919 ( -2.845 0.000 9.870) 10.272 3.968 ( 0.917 0.000 -5.242) 5.321 4.005 ( -4.347 0.000 4.470) 6.235 4.823 ( -0.115 0.000 5.509) 5.510 4.860 ( -0.669 0.000 -5.351) 5.393 5.271 ( 1.447 0.000 -2.277) 2.698 5.282 ( -1.243 0.000 3.410) 3.630 5.528 ( -2.152 0.000 10.946) 11.156 5.541 ( 2.307 0.000 -9.715) 9.985 5.944 ( 4.338 0.000 -12.972) 13.678 5.969 ( -4.734 0.000 10.818) 11.809 6.153 ( 1.329 0.000 7.062) 7.185 6.211 ( 1.270 0.000 -1.066) 1.658 6.246 ( -0.356 0.000 -5.251) 5.263 6.299 ( -4.170 0.000 1.692) 4.500 6.595 ( 4.044 0.000 2.599) 4.807 6.700 ( -4.490 0.000 -2.043) 4.933 7.066 ( -0.204 0.000 0.964) 0.986 7.084 ( -0.535 0.000 -3.111) 3.157 9.724 ( 1.269 0.000 -4.358) 4.539 9.730 ( -1.631 0.000 3.082) 3.487 9.762 ( -0.863 0.000 2.760) 2.892 9.776 ( -0.998 0.000 -2.682) 2.861 10.502 ( 2.293 0.000 -7.890) 8.216 10.506 ( -2.441 0.000 8.026) 8.388 10.656 ( -0.665 0.000 7.326) 7.356 10.692 ( -0.647 0.000 -6.198) 6.232 11.450 ( -0.463 0.000 2.979) 3.015 11.455 ( 0.569 0.000 -3.142) 3.193 11.617 ( 2.907 0.000 -8.880) 9.344 11.620 ( -2.181 0.000 8.566) 8.839 11.695 ( -0.057 0.000 8.794) 8.794 11.724 ( 1.978 0.000 -8.589) 8.813 11.769 ( 0.246 0.000 -1.624) 1.643 11.771 ( -0.898 0.000 1.496) 1.745 ======================= Grid point 148 (80/87) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 73 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -0.081 1.190 -5.451) 5.580 0.829 ( 0.081 1.190 5.451) 5.580 0.988 ( -1.879 1.341 -2.680) 3.538 0.988 ( 1.879 1.341 2.680) 3.538 1.282 ( 1.867 1.338 -6.194) 6.606 1.282 ( -1.867 1.338 6.194) 6.606 1.422 ( -0.385 -3.341 -4.526) 5.639 1.422 ( 0.385 -3.341 4.526) 5.639 1.611 ( 2.299 -3.624 -2.615) 5.026 1.611 ( -2.299 -3.624 2.615) 5.026 1.915 ( 2.113 1.861 -4.338) 5.172 1.915 ( -2.113 1.861 4.338) 5.172 2.090 ( -1.551 5.578 -5.759) 8.166 2.090 ( 1.551 5.578 5.759) 8.166 2.469 ( 3.043 -1.714 -8.656) 9.334 2.469 ( -3.043 -1.714 8.656) 9.334 3.010 ( -1.246 3.818 -7.832) 8.802 3.010 ( 1.246 3.818 7.832) 8.802 3.214 ( 0.966 -0.137 -6.642) 6.713 3.214 ( -0.966 -0.137 6.642) 6.713 3.645 ( 1.720 1.853 -11.157) 11.440 3.645 ( -1.720 1.853 11.157) 11.440 3.731 ( 5.068 0.654 -16.269) 17.052 3.731 ( -5.068 0.654 16.269) 17.052 3.834 ( 2.488 1.448 -10.199) 10.597 3.834 ( -2.488 1.448 10.199) 10.597 4.101 ( 2.335 -2.228 -2.897) 4.337 4.101 ( -2.335 -2.228 2.897) 4.337 4.928 ( 2.325 5.240 -1.356) 5.891 4.928 ( -2.325 5.240 1.356) 5.891 5.262 ( 0.008 -2.155 -1.760) 2.782 5.262 ( -0.008 -2.155 1.760) 2.782 5.593 ( 3.973 3.805 -11.240) 12.515 5.593 ( -3.973 3.805 11.240) 12.515 5.945 ( -0.334 -2.061 -2.938) 3.604 5.945 ( 0.334 -2.061 2.938) 3.604 6.068 ( 0.341 0.191 -3.982) 4.001 6.068 ( -0.341 0.191 3.982) 4.001 6.281 ( -1.359 -0.958 -0.718) 1.811 6.281 ( 1.359 -0.958 0.718) 1.811 6.819 ( 0.072 0.269 -0.479) 0.554 6.819 ( -0.072 0.269 0.479) 0.554 7.071 ( -0.614 -5.912 -1.355) 6.097 7.071 ( 0.614 -5.912 1.355) 6.097 9.760 ( 0.301 1.113 -3.087) 3.296 9.760 ( -0.301 1.113 3.087) 3.296 9.848 ( 2.392 -0.948 -4.740) 5.393 9.848 ( -2.392 -0.948 4.740) 5.393 10.518 ( 1.530 -0.704 -8.008) 8.184 10.518 ( -1.530 -0.704 8.008) 8.184 10.683 ( 2.542 -1.690 -2.226) 3.778 10.683 ( -2.542 -1.690 2.226) 3.778 11.494 ( 2.761 -0.794 -4.738) 5.541 11.494 ( -2.761 -0.794 4.738) 5.541 11.515 ( 0.594 0.056 -6.172) 6.200 11.515 ( -0.594 0.056 6.172) 6.200 11.689 ( 1.655 3.389 -1.572) 4.086 11.689 ( -1.655 3.389 1.572) 4.086 11.797 ( 0.861 -0.077 -4.900) 4.976 11.797 ( -0.861 -0.077 4.900) 4.976 ======================= Grid point 150 (81/87) ======================= q-point: ( 0.14 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 0.596 4.136 -4.123) 5.870 0.873 ( 1.441 -0.584 1.717) 2.317 0.940 ( -1.153 0.391 -2.266) 2.573 1.029 ( 0.830 2.027 1.287) 2.541 1.267 ( -2.732 -0.820 4.578) 5.394 1.288 ( 2.115 1.083 -5.187) 5.706 1.387 ( -0.729 -3.063 -4.190) 5.241 1.453 ( 0.436 -2.661 3.491) 4.411 1.585 ( -1.515 -2.502 2.804) 4.053 1.634 ( 0.660 -3.831 -1.279) 4.093 1.884 ( -2.986 2.144 3.530) 5.096 1.925 ( 0.859 0.832 -3.787) 3.972 2.055 ( 1.467 5.091 -4.662) 7.058 2.162 ( 1.950 6.859 3.009) 7.739 2.442 ( -0.885 -3.866 2.671) 4.782 2.502 ( 1.599 -1.416 -0.935) 2.332 2.959 ( 0.306 6.377 -6.905) 9.404 3.092 ( 2.507 2.550 7.193) 8.033 3.194 ( 0.999 0.863 -6.892) 7.017 3.222 ( -1.497 1.294 5.086) 5.457 3.619 ( 0.968 0.739 -5.619) 5.749 3.650 ( -4.200 0.605 10.069) 10.926 3.709 ( -3.174 1.525 10.167) 10.760 3.753 ( 2.981 0.951 -9.830) 10.316 3.817 ( 2.098 -0.664 -5.183) 5.631 3.873 ( 1.428 0.666 -0.231) 1.592 4.050 ( -3.105 -2.624 3.185) 5.165 4.131 ( 0.570 -0.172 -1.966) 2.054 4.889 ( -2.163 5.445 1.724) 6.108 4.956 ( 1.182 5.145 -2.125) 5.691 5.239 ( -1.134 -2.340 0.087) 2.602 5.270 ( -0.531 -2.440 1.257) 2.796 5.564 ( -3.445 3.617 8.332) 9.715 5.604 ( 1.884 4.975 -7.275) 9.012 5.924 ( 1.461 -2.021 -5.267) 5.827 6.021 ( 3.405 -3.346 -0.971) 4.872 6.029 ( -1.490 -0.316 3.903) 4.190 6.109 ( 0.745 1.741 2.708) 3.305 6.254 ( 0.355 -0.874 1.535) 1.802 6.315 ( 0.285 -1.845 0.884) 2.066 6.709 ( -7.278 0.024 0.967) 7.342 6.835 ( -1.111 0.697 -0.912) 1.598 7.044 ( -0.610 -6.860 -2.919) 7.480 7.086 ( 0.334 -4.586 -1.313) 4.782 9.745 ( 0.100 1.090 -3.123) 3.309 9.768 ( -0.460 0.762 2.099) 2.280 9.812 ( -3.340 -0.542 3.832) 5.112 9.851 ( 0.400 -1.085 -4.803) 4.940 10.500 ( 0.354 -0.604 -3.789) 3.853 10.533 ( -0.777 -0.206 4.247) 4.322 10.636 ( -2.788 -0.463 4.612) 5.409 10.723 ( 1.267 -2.974 -1.615) 3.614 11.460 ( -2.275 0.308 3.595) 4.265 11.486 ( 0.453 0.183 -5.238) 5.260 11.535 ( 2.075 -1.509 -1.224) 2.843 11.551 ( 0.776 -0.782 4.809) 4.933 11.670 ( -0.367 3.114 -0.271) 3.147 11.721 ( 2.179 3.230 -1.838) 4.308 11.783 ( 0.516 -0.464 -4.682) 4.734 11.803 ( -0.789 0.497 3.197) 3.330 ======================= Grid point 151 (82/87) ======================= q-point: ( 0.29 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 2.636 5.138 -4.643) 7.410 0.907 ( 1.052 -0.872 1.360) 1.928 0.937 ( 1.779 -0.096 -0.711) 1.918 1.029 ( -0.742 2.930 -1.029) 3.193 1.232 ( -2.663 -3.488 4.168) 6.052 1.301 ( 1.340 -1.416 -5.829) 6.146 1.361 ( -0.024 -2.783 -1.021) 2.965 1.464 ( -1.020 -1.718 1.442) 2.464 1.582 ( -0.073 -2.522 2.063) 3.260 1.627 ( -0.869 -2.108 0.734) 2.395 1.843 ( -2.520 1.192 2.691) 3.875 1.906 ( -0.729 0.036 -3.575) 3.649 2.094 ( 3.917 5.018 -3.181) 7.117 2.178 ( -0.563 7.545 0.029) 7.566 2.452 ( 1.745 -3.483 -4.639) 6.058 2.535 ( -0.564 -2.503 8.222) 8.613 2.957 ( 3.311 8.341 -5.622) 10.590 3.169 ( -0.585 3.873 6.969) 7.994 3.184 ( 1.722 0.671 -2.956) 3.486 3.217 ( -0.081 2.716 0.930) 2.872 3.605 ( -3.334 -0.704 5.299) 6.300 3.621 ( 0.883 -0.902 -2.797) 3.069 3.714 ( -2.571 1.557 12.286) 12.649 3.741 ( 1.921 1.693 -11.240) 11.528 3.848 ( 3.629 -1.835 -6.433) 7.611 3.886 ( -0.762 -2.565 2.680) 3.787 4.010 ( -1.739 0.352 0.138) 1.780 4.102 ( -2.234 1.397 -1.561) 3.063 4.867 ( -1.340 5.314 3.249) 6.371 4.947 ( -0.409 4.860 -3.630) 6.080 5.227 ( -0.077 -2.927 0.349) 2.949 5.260 ( -0.968 -2.734 1.537) 3.283 5.557 ( -1.939 4.200 8.718) 9.870 5.599 ( 1.545 5.355 -6.539) 8.592 5.926 ( 2.850 -1.305 -10.259) 10.727 5.983 ( -4.295 -3.283 7.724) 9.428 6.113 ( 2.249 0.715 2.818) 3.675 6.135 ( 2.355 -0.096 0.558) 2.422 6.278 ( -1.430 -3.427 -0.391) 3.734 6.313 ( -0.107 -1.175 2.340) 2.620 6.588 ( -3.655 1.401 0.944) 4.027 6.788 ( -2.860 0.549 -0.817) 3.024 7.013 ( -0.766 -6.603 -2.774) 7.203 7.069 ( -0.919 -4.303 -2.322) 4.975 9.733 ( 0.545 0.736 -3.633) 3.747 9.759 ( -1.901 0.128 1.641) 2.514 9.772 ( -1.969 0.017 3.389) 3.920 9.816 ( -1.272 -0.772 -4.036) 4.301 10.494 ( 0.650 -0.110 -1.881) 1.993 10.530 ( -1.055 0.786 1.973) 2.372 10.627 ( -1.464 -0.801 6.735) 6.939 10.712 ( -0.649 -2.659 -3.665) 4.574 11.448 ( -0.603 0.450 2.045) 2.179 11.470 ( 0.161 0.454 -2.834) 2.874 11.569 ( 2.500 -1.976 -3.400) 4.660 11.589 ( -0.835 -1.586 8.504) 8.691 11.674 ( 1.533 2.380 -2.286) 3.639 11.747 ( 0.552 2.265 0.125) 2.335 11.771 ( 1.248 0.038 -5.322) 5.466 11.800 ( -0.983 0.935 2.147) 2.540 ======================= Grid point 152 (83/87) ======================= q-point: ( 0.43 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 4.188 4.052 -3.757) 6.933 0.911 ( -2.532 1.847 2.975) 4.321 0.980 ( 1.834 -0.167 0.318) 1.869 1.003 ( -0.437 1.323 -2.101) 2.521 1.225 ( -0.365 -5.273 5.290) 7.478 1.268 ( -0.895 -5.502 -6.342) 8.443 1.376 ( 1.594 -0.536 0.929) 1.921 1.427 ( -2.629 -0.771 -0.429) 2.773 1.601 ( 0.735 -2.232 1.157) 2.619 1.616 ( -0.628 -1.691 0.459) 1.861 1.829 ( 0.024 -0.166 2.360) 2.366 1.863 ( -1.545 -0.645 -2.872) 3.324 2.144 ( 1.335 5.916 1.354) 6.214 2.167 ( 0.248 6.627 -3.074) 7.309 2.477 ( 4.064 -0.899 -5.663) 7.028 2.533 ( -4.145 -1.939 7.438) 8.733 3.029 ( 6.004 7.366 -4.079) 10.341 3.122 ( -5.138 5.347 4.271) 8.557 3.226 ( 1.795 1.232 -1.449) 2.615 3.232 ( 0.281 1.299 1.596) 2.077 3.590 ( -1.129 -0.900 6.429) 6.589 3.616 ( 0.368 -1.542 -5.447) 5.673 3.724 ( 2.324 1.931 -8.542) 9.060 3.727 ( -2.440 1.731 9.086) 9.566 3.871 ( 0.565 -2.671 -1.323) 3.034 3.874 ( -0.518 -3.213 -0.262) 3.265 4.001 ( 1.300 2.466 -1.283) 3.069 4.041 ( -2.882 2.129 -0.147) 3.586 4.873 ( -0.117 4.821 4.637) 6.690 4.909 ( -0.874 4.524 -4.732) 6.604 5.237 ( 0.827 -3.269 -0.251) 3.381 5.250 ( -0.868 -3.090 1.182) 3.421 5.575 ( -1.121 4.706 8.268) 9.580 5.593 ( 1.382 5.072 -7.060) 8.802 5.930 ( 3.596 -1.523 -11.488) 12.134 5.947 ( -4.143 -2.447 10.295) 11.364 6.153 ( 0.949 0.071 4.825) 4.918 6.195 ( 1.305 -1.542 -1.400) 2.458 6.226 ( -0.099 -1.820 -3.070) 3.570 6.280 ( -3.871 -1.929 1.359) 4.533 6.612 ( 3.983 1.857 1.946) 4.806 6.711 ( -4.321 1.168 -1.497) 4.720 7.001 ( 0.588 -6.053 0.081) 6.082 7.031 ( -1.438 -5.048 -2.162) 5.677 9.728 ( 0.997 0.360 -3.862) 4.004 9.732 ( -1.494 0.196 2.882) 3.252 9.761 ( -0.846 -0.107 2.359) 2.508 9.773 ( -0.852 -0.324 -2.611) 2.766 10.503 ( 0.952 0.444 -0.989) 1.443 10.518 ( -0.985 0.870 1.047) 1.680 10.642 ( -0.667 -1.217 6.710) 6.852 10.673 ( -0.361 -1.751 -5.668) 5.944 11.452 ( 0.128 0.350 0.955) 1.025 11.460 ( -0.091 0.430 -1.141) 1.222 11.594 ( 2.322 -1.798 -5.273) 6.036 11.603 ( -2.004 -1.709 7.377) 7.833 11.704 ( 2.244 1.184 -1.419) 2.907 11.737 ( -1.542 0.688 0.987) 1.955 11.779 ( 1.842 1.317 -4.492) 5.030 11.790 ( -1.285 1.177 2.828) 3.322 ======================= Grid point 156 (84/87) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 73 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 0.234 1.089 -3.248) 3.434 0.857 ( -0.234 1.089 3.248) 3.434 1.025 ( -1.413 1.810 -1.795) 2.914 1.025 ( 1.413 1.810 1.795) 2.914 1.314 ( -0.248 1.515 -4.367) 4.629 1.314 ( 0.248 1.515 4.367) 4.629 1.360 ( -0.815 -2.252 -6.497) 6.924 1.360 ( 0.815 -2.252 6.497) 6.924 1.532 ( -0.142 -3.270 -1.316) 3.528 1.532 ( 0.142 -3.270 1.316) 3.528 1.930 ( 0.522 0.136 -1.336) 1.441 1.930 ( -0.522 0.136 1.336) 1.441 2.200 ( -0.519 3.919 -4.272) 5.821 2.200 ( 0.519 3.919 4.272) 5.821 2.436 ( 1.226 -1.319 -5.048) 5.359 2.436 ( -1.226 -1.319 5.048) 5.359 3.071 ( -0.167 1.796 -3.195) 3.669 3.071 ( 0.167 1.796 3.195) 3.669 3.212 ( 0.173 0.008 -2.736) 2.741 3.212 ( -0.173 0.008 2.736) 2.741 3.680 ( 1.122 1.191 -6.240) 6.451 3.680 ( -1.122 1.191 6.240) 6.451 3.742 ( 2.335 0.425 -8.323) 8.655 3.742 ( -2.335 0.425 8.323) 8.655 3.875 ( 1.909 2.134 -5.467) 6.171 3.875 ( -1.909 2.134 5.467) 6.171 4.050 ( 2.105 -2.363 -2.776) 4.210 4.050 ( -2.105 -2.363 2.776) 4.210 5.057 ( 1.221 7.309 -0.867) 7.461 5.057 ( -1.221 7.309 0.867) 7.461 5.188 ( 1.228 -5.463 -1.127) 5.712 5.188 ( -1.228 -5.463 1.127) 5.712 5.688 ( 2.986 4.687 -7.200) 9.095 5.688 ( -2.986 4.687 7.200) 9.095 5.905 ( 2.209 -1.936 -4.171) 5.102 5.905 ( -2.209 -1.936 4.171) 5.102 6.032 ( 2.910 -2.614 -3.232) 5.074 6.032 ( -2.910 -2.614 3.232) 5.074 6.291 ( 0.579 1.338 -1.815) 2.328 6.291 ( -0.579 1.338 1.815) 2.328 6.842 ( -3.713 2.537 0.233) 4.503 6.842 ( 3.713 2.537 -0.233) 4.503 6.936 ( -2.767 -6.720 -0.725) 7.304 6.936 ( 2.767 -6.720 0.725) 7.304 9.788 ( 0.925 1.702 -3.602) 4.090 9.788 ( -0.925 1.702 3.602) 4.090 9.823 ( 1.717 -1.604 -4.238) 4.846 9.823 ( -1.717 -1.604 4.238) 4.846 10.504 ( 0.584 -0.487 -3.225) 3.313 10.504 ( -0.584 -0.487 3.225) 3.313 10.655 ( 1.208 -0.837 -1.432) 2.052 10.655 ( -1.208 -0.837 1.432) 2.052 11.483 ( 0.886 -0.279 -1.671) 1.912 11.483 ( -0.886 -0.279 1.671) 1.912 11.516 ( 0.191 0.032 -2.277) 2.285 11.516 ( -0.191 0.032 2.277) 2.285 11.750 ( -0.898 2.288 -1.242) 2.754 11.750 ( 0.898 2.288 1.242) 2.754 11.791 ( 0.021 -0.605 -3.381) 3.434 11.791 ( -0.021 -0.605 3.381) 3.434 ======================= Grid point 158 (85/87) ======================= q-point: ( 0.14 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 2.025 1.585 -4.257) 4.973 0.878 ( 1.282 0.037 0.656) 1.441 0.981 ( -1.961 4.454 -0.954) 4.959 1.052 ( 0.064 -1.181 1.991) 2.316 1.262 ( -2.195 1.126 -3.155) 4.005 1.308 ( -0.770 -2.018 -6.554) 6.900 1.342 ( 0.171 1.874 2.221) 2.911 1.406 ( 0.320 -2.666 4.951) 5.632 1.524 ( -0.405 -1.829 1.322) 2.293 1.553 ( 0.449 -3.864 2.399) 4.570 1.910 ( -1.616 0.846 -0.407) 1.869 1.925 ( -0.427 -0.602 -2.006) 2.138 2.184 ( 1.149 6.846 -1.954) 7.211 2.270 ( 3.739 0.700 2.888) 4.776 2.385 ( -2.946 0.515 -0.876) 3.116 2.452 ( 0.354 -3.726 0.162) 3.746 3.076 ( 2.439 4.513 -3.587) 6.260 3.120 ( 2.994 -0.132 1.478) 3.341 3.220 ( 1.389 1.500 -1.470) 2.518 3.238 ( 0.652 -0.075 3.329) 3.393 3.643 ( -1.736 1.435 -2.018) 3.024 3.658 ( -3.570 0.002 3.864) 5.260 3.746 ( -0.822 1.789 5.001) 5.375 3.764 ( 1.966 0.003 -3.505) 4.019 3.820 ( -1.924 1.284 -0.833) 2.458 3.861 ( -2.401 -2.108 -0.628) 3.257 4.040 ( 0.881 2.028 0.144) 2.216 4.099 ( 2.329 -2.938 -2.659) 4.596 5.024 ( -2.001 7.596 1.075) 7.928 5.075 ( 0.503 6.316 -1.590) 6.532 5.162 ( -1.783 -5.394 1.803) 5.961 5.196 ( 0.051 -5.015 -0.670) 5.059 5.669 ( -1.715 6.420 4.913) 8.264 5.716 ( 2.636 4.450 -5.881) 7.832 5.873 ( -1.466 -2.429 2.568) 3.826 5.921 ( -1.483 -5.600 1.378) 5.955 6.042 ( 3.542 1.610 -0.274) 3.900 6.097 ( 4.445 -3.314 -3.095) 6.350 6.257 ( -2.804 2.181 3.213) 4.790 6.296 ( -1.083 -0.973 1.647) 2.198 6.736 ( -5.709 3.486 -0.383) 6.700 6.835 ( -3.627 -3.598 -0.756) 5.164 6.917 ( 1.258 -1.920 -2.367) 3.297 6.978 ( 1.055 -5.516 -0.862) 5.682 9.772 ( -0.883 1.418 -0.813) 1.858 9.788 ( -0.710 1.054 0.168) 1.281 9.798 ( -2.059 -0.620 2.157) 3.046 9.823 ( 0.231 -1.720 -3.610) 4.006 10.498 ( 0.180 0.521 -0.663) 0.862 10.517 ( 0.224 -1.213 1.848) 2.222 10.637 ( -1.420 0.731 2.006) 2.564 10.667 ( 0.437 -2.370 -1.206) 2.695 11.469 ( -1.147 0.602 1.652) 2.099 11.482 ( -0.050 -0.619 -1.342) 1.478 11.522 ( 0.966 0.237 -0.238) 1.023 11.534 ( 0.548 -0.865 2.525) 2.725 11.727 ( -0.247 2.491 -2.189) 3.326 11.762 ( -0.078 -0.796 -1.438) 1.645 11.785 ( 1.166 1.798 -1.493) 2.612 11.807 ( -0.050 -0.312 2.417) 2.438 ======================= Grid point 159 (86/87) ======================= q-point: ( 0.29 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 3.001 1.076 -2.597) 4.112 0.917 ( 2.445 -0.058 -0.440) 2.485 0.949 ( -0.199 5.403 -1.460) 5.600 1.054 ( -0.674 -2.903 1.853) 3.509 1.196 ( -2.743 1.409 -2.627) 4.051 1.248 ( -2.330 -3.224 -4.939) 6.342 1.355 ( 0.520 2.251 0.814) 2.450 1.421 ( -0.812 -3.276 2.767) 4.364 1.529 ( 0.011 -0.744 2.254) 2.374 1.570 ( -0.354 -3.545 2.824) 4.546 1.865 ( -2.304 1.252 -0.739) 2.724 1.891 ( -1.638 -1.283 -2.480) 3.237 2.221 ( 3.136 7.200 -1.073) 7.926 2.328 ( -1.888 4.459 -0.697) 4.892 2.363 ( 4.258 -2.918 -0.115) 5.163 2.462 ( -0.165 -5.081 2.776) 5.792 3.118 ( 3.571 6.459 -3.780) 8.292 3.184 ( 2.608 -0.928 -0.450) 2.805 3.236 ( 0.318 2.726 0.962) 2.908 3.263 ( 0.618 0.700 1.176) 1.502 3.598 ( -2.616 0.184 1.028) 2.817 3.608 ( -2.292 -0.616 1.511) 2.814 3.751 ( -2.801 2.176 11.250) 11.796 3.776 ( 1.364 1.330 -3.753) 4.209 3.809 ( -0.548 -1.845 1.791) 2.629 3.828 ( 1.945 -2.569 -6.759) 7.488 4.051 ( 0.430 3.084 -1.847) 3.620 4.101 ( -0.407 -1.556 -2.859) 3.280 4.994 ( -1.635 6.935 1.764) 7.341 5.052 ( -1.453 4.346 -2.774) 5.356 5.150 ( -0.526 -3.969 2.292) 4.614 5.187 ( -0.497 -4.568 -0.516) 4.624 5.674 ( -0.457 7.244 4.708) 8.651 5.725 ( 1.410 5.690 -5.479) 8.024 5.869 ( -0.451 -4.793 1.795) 5.138 5.892 ( -1.758 -4.610 1.718) 5.224 6.122 ( 4.027 0.791 -1.870) 4.510 6.149 ( 2.029 -0.568 -3.301) 3.916 6.222 ( -2.938 0.065 4.815) 5.641 6.272 ( -2.428 -3.048 2.991) 4.912 6.650 ( -1.718 5.222 -0.455) 5.516 6.769 ( -2.161 -4.748 -0.583) 5.249 6.907 ( -0.855 -0.923 -2.480) 2.781 6.967 ( -1.325 -5.264 -1.651) 5.674 9.749 ( -0.664 0.776 -1.269) 1.628 9.759 ( -2.073 -0.208 1.664) 2.666 9.777 ( -0.984 0.654 0.004) 1.181 9.796 ( -0.870 -1.158 -3.176) 3.490 10.504 ( 0.559 1.133 0.178) 1.276 10.530 ( 0.067 -1.003 1.197) 1.563 10.623 ( -1.171 0.835 2.690) 3.050 10.658 ( -0.418 -2.528 -1.892) 3.185 11.461 ( -0.215 0.812 0.319) 0.898 11.474 ( -0.112 -0.288 -0.964) 1.013 11.545 ( 1.052 -0.227 0.675) 1.270 11.559 ( -0.064 -1.372 4.034) 4.262 11.720 ( 1.007 2.097 -3.224) 3.976 11.751 ( 0.261 -1.043 -2.525) 2.744 11.799 ( 0.502 1.543 -0.228) 1.638 11.812 ( -0.653 0.150 2.046) 2.153 ======================= Grid point 160 (87/87) ======================= q-point: ( 0.43 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 0.823 1.692 1.653) 2.505 0.940 ( 1.080 3.716 -2.665) 4.699 0.986 ( 3.797 0.373 -1.574) 4.127 1.042 ( -2.051 -1.474 1.755) 3.076 1.140 ( -1.034 -0.821 -0.683) 1.487 1.170 ( -2.896 -3.263 -2.500) 5.028 1.378 ( 1.569 0.986 -0.223) 1.866 1.408 ( -1.595 -1.386 1.296) 2.479 1.548 ( 0.860 -1.745 1.020) 2.196 1.567 ( -1.005 -2.886 1.348) 3.340 1.829 ( -0.700 0.387 0.005) 0.800 1.844 ( -1.549 -1.054 -1.630) 2.484 2.276 ( 2.252 6.507 -0.294) 6.892 2.302 ( -0.731 5.798 -0.217) 5.848 2.430 ( 3.590 -3.174 -3.961) 6.217 2.463 ( -2.150 -4.813 5.018) 7.278 3.170 ( 3.209 5.038 -2.878) 6.630 3.202 ( -0.523 1.402 -0.256) 1.518 3.252 ( -0.127 2.004 4.567) 4.989 3.270 ( 0.362 1.369 -2.754) 3.097 3.569 ( -0.562 -0.748 0.842) 1.259 3.580 ( -1.091 -1.694 0.010) 2.015 3.765 ( -2.313 2.192 12.031) 12.446 3.778 ( 1.838 2.730 -7.496) 8.187 3.814 ( -1.861 -2.173 9.971) 10.373 3.833 ( 2.947 -1.966 -12.444) 12.938 4.047 ( 0.389 2.001 -0.951) 2.249 4.066 ( -1.348 0.220 -1.565) 2.077 4.984 ( -0.405 5.534 2.442) 6.063 5.006 ( -1.189 4.204 -2.838) 5.210 5.159 ( 0.307 -3.712 1.469) 4.003 5.174 ( -0.497 -4.201 -0.724) 4.292 5.696 ( -0.032 6.950 4.655) 8.365 5.717 ( 0.588 6.419 -4.800) 8.037 5.869 ( -1.267 -5.022 5.080) 7.255 5.876 ( 0.545 -4.203 -3.823) 5.707 6.151 ( 0.276 -0.308 -0.091) 0.424 6.162 ( 0.412 -1.507 -2.583) 3.019 6.203 ( -0.063 0.341 2.312) 2.338 6.234 ( -2.346 -2.374 1.059) 3.502 6.672 ( 2.977 4.223 0.903) 5.245 6.734 ( -2.104 -0.153 -0.230) 2.122 6.882 ( 0.304 -3.747 -0.818) 3.847 6.918 ( -2.376 -5.505 -1.535) 6.189 9.735 ( 0.103 0.284 -1.606) 1.634 9.737 ( -1.016 0.155 1.773) 2.049 9.760 ( -0.668 0.054 0.525) 0.851 9.765 ( -0.565 -0.415 -1.982) 2.102 10.519 ( 0.636 0.996 0.395) 1.246 10.530 ( -0.355 0.124 0.115) 0.393 10.622 ( -0.485 -0.410 3.099) 3.163 10.636 ( -0.282 -1.680 -2.739) 3.226 11.462 ( 0.312 0.565 -0.277) 0.703 11.468 ( -0.225 0.145 -0.130) 0.298 11.565 ( 0.971 -0.788 -0.977) 1.587 11.571 ( -0.785 -1.277 3.383) 3.700 11.731 ( 1.488 1.227 -2.386) 3.068 11.744 ( -0.313 -0.081 -0.298) 0.440 11.802 ( 0.407 0.797 -1.347) 1.617 11.807 ( -0.958 0.370 2.174) 2.405 =================== 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 3/16800 10.0 47.423 43.207 63.549 0.000 -7.507 0.000 3/16800 20.0 12.041 12.001 17.880 0.000 -2.614 0.000 3/16800 30.0 6.086 6.254 9.995 0.000 -1.564 0.000 3/16800 40.0 3.965 4.122 7.105 0.000 -1.170 0.000 3/16800 50.0 2.921 3.059 5.579 0.000 -0.951 0.000 3/16800 60.0 2.310 2.433 4.615 0.000 -0.806 0.000 3/16800 70.0 1.911 2.024 3.946 0.000 -0.700 0.000 3/16800 80.0 1.632 1.736 3.453 0.000 -0.620 0.000 3/16800 90.0 1.427 1.523 3.076 0.000 -0.558 0.000 3/16800 100.0 1.270 1.359 2.779 0.000 -0.507 0.000 3/16800 110.0 1.146 1.229 2.538 0.000 -0.466 0.000 3/16800 120.0 1.045 1.123 2.338 0.000 -0.432 0.000 3/16800 130.0 0.962 1.034 2.171 0.000 -0.403 0.000 3/16800 140.0 0.892 0.960 2.027 0.000 -0.378 0.000 3/16800 150.0 0.832 0.896 1.903 0.000 -0.356 0.000 3/16800 160.0 0.780 0.840 1.794 0.000 -0.337 0.000 3/16800 170.0 0.734 0.791 1.698 0.000 -0.320 0.000 3/16800 180.0 0.694 0.748 1.612 0.000 -0.304 0.000 3/16800 190.0 0.658 0.709 1.535 0.000 -0.290 0.000 3/16800 200.0 0.626 0.675 1.465 0.000 -0.278 0.000 3/16800 210.0 0.597 0.643 1.402 0.000 -0.266 0.000 3/16800 220.0 0.571 0.615 1.344 0.000 -0.256 0.000 3/16800 230.0 0.547 0.589 1.291 0.000 -0.246 0.000 3/16800 240.0 0.525 0.565 1.241 0.000 -0.237 0.000 3/16800 250.0 0.504 0.543 1.196 0.000 -0.229 0.000 3/16800 260.0 0.485 0.523 1.154 0.000 -0.221 0.000 3/16800 270.0 0.468 0.504 1.114 0.000 -0.213 0.000 3/16800 280.0 0.452 0.486 1.078 0.000 -0.207 0.000 3/16800 290.0 0.437 0.470 1.043 0.000 -0.200 0.000 3/16800 300.0 0.423 0.455 1.011 0.000 -0.194 0.000 3/16800 310.0 0.409 0.440 0.981 0.000 -0.189 0.000 3/16800 320.0 0.397 0.427 0.952 0.000 -0.183 0.000 3/16800 330.0 0.385 0.414 0.925 0.000 -0.178 0.000 3/16800 340.0 0.374 0.403 0.900 0.000 -0.173 0.000 3/16800 350.0 0.364 0.391 0.876 0.000 -0.169 0.000 3/16800 360.0 0.354 0.381 0.853 0.000 -0.165 0.000 3/16800 370.0 0.345 0.371 0.831 0.000 -0.160 0.000 3/16800 380.0 0.336 0.361 0.811 0.000 -0.157 0.000 3/16800 390.0 0.328 0.352 0.791 0.000 -0.153 0.000 3/16800 400.0 0.320 0.344 0.772 0.000 -0.149 0.000 3/16800 410.0 0.312 0.335 0.754 0.000 -0.146 0.000 3/16800 420.0 0.305 0.328 0.737 0.000 -0.143 0.000 3/16800 430.0 0.298 0.320 0.721 0.000 -0.140 0.000 3/16800 440.0 0.291 0.313 0.706 0.000 -0.137 0.000 3/16800 450.0 0.285 0.306 0.691 0.000 -0.134 0.000 3/16800 460.0 0.279 0.300 0.676 0.000 -0.131 0.000 3/16800 470.0 0.273 0.293 0.663 0.000 -0.128 0.000 3/16800 480.0 0.268 0.287 0.649 0.000 -0.126 0.000 3/16800 490.0 0.262 0.282 0.637 0.000 -0.123 0.000 3/16800 500.0 0.257 0.276 0.625 0.000 -0.121 0.000 3/16800 510.0 0.252 0.271 0.613 0.000 -0.119 0.000 3/16800 520.0 0.247 0.266 0.601 0.000 -0.117 0.000 3/16800 530.0 0.243 0.261 0.591 0.000 -0.115 0.000 3/16800 540.0 0.239 0.256 0.580 0.000 -0.113 0.000 3/16800 550.0 0.234 0.251 0.570 0.000 -0.111 0.000 3/16800 560.0 0.230 0.247 0.560 0.000 -0.109 0.000 3/16800 570.0 0.226 0.243 0.551 0.000 -0.107 0.000 3/16800 580.0 0.222 0.239 0.541 0.000 -0.105 0.000 3/16800 590.0 0.219 0.235 0.533 0.000 -0.104 0.000 3/16800 600.0 0.215 0.231 0.524 0.000 -0.102 0.000 3/16800 610.0 0.212 0.227 0.516 0.000 -0.100 0.000 3/16800 620.0 0.208 0.223 0.508 0.000 -0.099 0.000 3/16800 630.0 0.205 0.220 0.500 0.000 -0.097 0.000 3/16800 640.0 0.202 0.217 0.492 0.000 -0.096 0.000 3/16800 650.0 0.199 0.213 0.485 0.000 -0.094 0.000 3/16800 660.0 0.196 0.210 0.478 0.000 -0.093 0.000 3/16800 670.0 0.193 0.207 0.471 0.000 -0.092 0.000 3/16800 680.0 0.190 0.204 0.464 0.000 -0.090 0.000 3/16800 690.0 0.187 0.201 0.458 0.000 -0.089 0.000 3/16800 700.0 0.185 0.198 0.451 0.000 -0.088 0.000 3/16800 710.0 0.182 0.195 0.445 0.000 -0.087 0.000 3/16800 720.0 0.180 0.193 0.439 0.000 -0.085 0.000 3/16800 730.0 0.177 0.190 0.433 0.000 -0.084 0.000 3/16800 740.0 0.175 0.188 0.428 0.000 -0.083 0.000 3/16800 750.0 0.173 0.185 0.422 0.000 -0.082 0.000 3/16800 760.0 0.170 0.183 0.417 0.000 -0.081 0.000 3/16800 770.0 0.168 0.180 0.411 0.000 -0.080 0.000 3/16800 780.0 0.166 0.178 0.406 0.000 -0.079 0.000 3/16800 790.0 0.164 0.176 0.401 0.000 -0.078 0.000 3/16800 800.0 0.162 0.174 0.396 0.000 -0.077 0.000 3/16800 810.0 0.160 0.172 0.392 0.000 -0.076 0.000 3/16800 820.0 0.158 0.170 0.387 0.000 -0.075 0.000 3/16800 830.0 0.156 0.168 0.382 0.000 -0.075 0.000 3/16800 840.0 0.154 0.166 0.378 0.000 -0.074 0.000 3/16800 850.0 0.153 0.164 0.374 0.000 -0.073 0.000 3/16800 860.0 0.151 0.162 0.369 0.000 -0.072 0.000 3/16800 870.0 0.149 0.160 0.365 0.000 -0.071 0.000 3/16800 880.0 0.147 0.158 0.361 0.000 -0.070 0.000 3/16800 890.0 0.146 0.156 0.357 0.000 -0.070 0.000 3/16800 900.0 0.144 0.155 0.353 0.000 -0.069 0.000 3/16800 910.0 0.143 0.153 0.349 0.000 -0.068 0.000 3/16800 920.0 0.141 0.151 0.346 0.000 -0.067 0.000 3/16800 930.0 0.140 0.150 0.342 0.000 -0.067 0.000 3/16800 940.0 0.138 0.148 0.338 0.000 -0.066 0.000 3/16800 950.0 0.137 0.147 0.335 0.000 -0.065 0.000 3/16800 960.0 0.135 0.145 0.332 0.000 -0.065 0.000 3/16800 970.0 0.134 0.144 0.328 0.000 -0.064 0.000 3/16800 980.0 0.133 0.142 0.325 0.000 -0.063 0.000 3/16800 990.0 0.131 0.141 0.322 0.000 -0.063 0.000 3/16800 1000.0 0.130 0.139 0.319 0.000 -0.062 0.000 3/16800 Thermal conductivity related properties were written into "kappa-m758.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:27:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|