----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:47:34]------------------------- 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: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.327864670000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.364245920000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.162599930000001 Atomic positions (fractional): *1 O 0.79469476950233 0.45413759002320 0.20477421583276 15.999 2 O 0.70530523049767 0.54586240997680 0.70477421583276 15.999 3 O 0.29469476950233 0.04586240997680 0.29522578416724 15.999 4 O 0.20530523049767 0.95413759002320 0.79522578416724 15.999 5 O 0.20530523049767 0.54586240997680 0.79522578416724 15.999 6 O 0.29469476950233 0.45413759002320 0.29522578416724 15.999 7 O 0.70530523049767 0.95413759002320 0.70477421583276 15.999 8 O 0.79469476950233 0.04586240997680 0.20477421583276 15.999 *9 O 0.97679073352591 0.25000000000000 0.58708579897015 15.999 10 O 0.52320926647409 0.75000000000000 0.08708579897015 15.999 11 O 0.47679073352591 0.25000000000000 0.91291420102985 15.999 12 O 0.02320926647409 0.75000000000000 0.41291420102985 15.999 *13 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 14 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 15 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 16 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 *17 Y 0.44463204281847 0.75000000000000 0.51322256767773 88.906 18 Y 0.05536795718153 0.25000000000000 0.01322256767773 88.906 19 Y 0.94463204281847 0.75000000000000 0.98677743232227 88.906 20 Y 0.55536795718153 0.25000000000000 0.48677743232227 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.327864670000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.364245920000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.162599930000001 Atomic positions (fractional): *1 O 0.79469476950233 0.45413759002320 0.20477421583276 15.999 > 1 2 O 0.70530523049767 0.54586240997680 0.70477421583276 15.999 > 2 3 O 0.29469476950233 0.04586240997680 0.29522578416724 15.999 > 3 4 O 0.20530523049767 0.95413759002320 0.79522578416724 15.999 > 4 5 O 0.20530523049767 0.54586240997680 0.79522578416724 15.999 > 5 6 O 0.29469476950233 0.45413759002320 0.29522578416724 15.999 > 6 7 O 0.70530523049767 0.95413759002320 0.70477421583276 15.999 > 7 8 O 0.79469476950233 0.04586240997680 0.20477421583276 15.999 > 8 *9 O 0.97679073352591 0.25000000000000 0.58708579897015 15.999 > 9 10 O 0.52320926647409 0.75000000000000 0.08708579897015 15.999 > 10 11 O 0.47679073352591 0.25000000000000 0.91291420102985 15.999 > 11 12 O 0.02320926647409 0.75000000000000 0.41291420102985 15.999 > 12 *13 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 13 14 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 14 15 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 15 16 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 16 *17 Y 0.44463204281847 0.75000000000000 0.51322256767773 88.906 > 17 18 Y 0.05536795718153 0.25000000000000 0.01322256767773 88.906 > 18 19 Y 0.94463204281847 0.75000000000000 0.98677743232227 88.906 > 19 20 Y 0.55536795718153 0.25000000000000 0.48677743232227 88.906 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.655729340000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.364245920000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.325199860000001 Atomic positions (fractional): *1 O 0.39734738475117 0.45413759002320 0.10238710791638 15.999 > 1 2 O 0.89734738475117 0.45413759002320 0.10238710791638 15.999 > 1 3 O 0.39734738475117 0.45413759002320 0.60238710791638 15.999 > 1 4 O 0.89734738475117 0.45413759002320 0.60238710791638 15.999 > 1 5 O 0.35265261524883 0.54586240997680 0.35238710791638 15.999 > 2 6 O 0.85265261524883 0.54586240997680 0.35238710791638 15.999 > 2 7 O 0.35265261524883 0.54586240997680 0.85238710791638 15.999 > 2 8 O 0.85265261524883 0.54586240997680 0.85238710791638 15.999 > 2 9 O 0.14734738475117 0.04586240997680 0.14761289208362 15.999 > 3 10 O 0.64734738475117 0.04586240997680 0.14761289208362 15.999 > 3 11 O 0.14734738475117 0.04586240997680 0.64761289208362 15.999 > 3 12 O 0.64734738475117 0.04586240997680 0.64761289208362 15.999 > 3 13 O 0.10265261524883 0.95413759002320 0.39761289208362 15.999 > 4 14 O 0.60265261524883 0.95413759002320 0.39761289208362 15.999 > 4 15 O 0.10265261524883 0.95413759002320 0.89761289208362 15.999 > 4 16 O 0.60265261524883 0.95413759002320 0.89761289208362 15.999 > 4 17 O 0.10265261524883 0.54586240997680 0.39761289208362 15.999 > 5 18 O 0.60265261524883 0.54586240997680 0.39761289208362 15.999 > 5 19 O 0.10265261524883 0.54586240997680 0.89761289208362 15.999 > 5 20 O 0.60265261524883 0.54586240997680 0.89761289208362 15.999 > 5 21 O 0.14734738475117 0.45413759002320 0.14761289208362 15.999 > 6 22 O 0.64734738475117 0.45413759002320 0.14761289208362 15.999 > 6 23 O 0.14734738475117 0.45413759002320 0.64761289208362 15.999 > 6 24 O 0.64734738475117 0.45413759002320 0.64761289208362 15.999 > 6 25 O 0.35265261524883 0.95413759002320 0.35238710791638 15.999 > 7 26 O 0.85265261524883 0.95413759002320 0.35238710791638 15.999 > 7 27 O 0.35265261524883 0.95413759002320 0.85238710791638 15.999 > 7 28 O 0.85265261524883 0.95413759002320 0.85238710791638 15.999 > 7 29 O 0.39734738475117 0.04586240997680 0.10238710791638 15.999 > 8 30 O 0.89734738475117 0.04586240997680 0.10238710791638 15.999 > 8 31 O 0.39734738475117 0.04586240997680 0.60238710791638 15.999 > 8 32 O 0.89734738475117 0.04586240997680 0.60238710791638 15.999 > 8 *33 O 0.48839536676296 0.25000000000000 0.29354289948508 15.999 > 9 34 O 0.98839536676296 0.25000000000000 0.29354289948508 15.999 > 9 35 O 0.48839536676296 0.25000000000000 0.79354289948508 15.999 > 9 36 O 0.98839536676296 0.25000000000000 0.79354289948508 15.999 > 9 37 O 0.26160463323704 0.75000000000000 0.04354289948508 15.999 > 10 38 O 0.76160463323704 0.75000000000000 0.04354289948508 15.999 > 10 39 O 0.26160463323704 0.75000000000000 0.54354289948508 15.999 > 10 40 O 0.76160463323704 0.75000000000000 0.54354289948508 15.999 > 10 41 O 0.23839536676296 0.25000000000000 0.45645710051492 15.999 > 11 42 O 0.73839536676296 0.25000000000000 0.45645710051492 15.999 > 11 43 O 0.23839536676296 0.25000000000000 0.95645710051492 15.999 > 11 44 O 0.73839536676296 0.25000000000000 0.95645710051492 15.999 > 11 45 O 0.01160463323704 0.75000000000000 0.20645710051492 15.999 > 12 46 O 0.51160463323704 0.75000000000000 0.20645710051492 15.999 > 12 47 O 0.01160463323704 0.75000000000000 0.70645710051492 15.999 > 12 48 O 0.51160463323704 0.75000000000000 0.70645710051492 15.999 > 12 *49 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 13 50 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 13 51 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 13 52 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 13 53 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 14 54 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 14 55 Al 0.25000000000000 0.00000000000000 0.50000000000000 26.982 > 14 56 Al 0.75000000000000 0.00000000000000 0.50000000000000 26.982 > 14 57 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 15 58 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 15 59 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 15 60 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 15 61 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 16 62 Al 0.50000000000000 0.50000000000000 0.25000000000000 26.982 > 16 63 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 16 64 Al 0.50000000000000 0.50000000000000 0.75000000000000 26.982 > 16 *65 Y 0.22231602140923 0.75000000000000 0.25661128383887 88.906 > 17 66 Y 0.72231602140923 0.75000000000000 0.25661128383887 88.906 > 17 67 Y 0.22231602140923 0.75000000000000 0.75661128383887 88.906 > 17 68 Y 0.72231602140923 0.75000000000000 0.75661128383887 88.906 > 17 69 Y 0.02768397859077 0.25000000000000 0.00661128383887 88.906 > 18 70 Y 0.52768397859077 0.25000000000000 0.00661128383887 88.906 > 18 71 Y 0.02768397859077 0.25000000000000 0.50661128383887 88.906 > 18 72 Y 0.52768397859077 0.25000000000000 0.50661128383887 88.906 > 18 73 Y 0.47231602140923 0.75000000000000 0.49338871616113 88.906 > 19 74 Y 0.97231602140923 0.75000000000000 0.49338871616113 88.906 > 19 75 Y 0.47231602140923 0.75000000000000 0.99338871616113 88.906 > 19 76 Y 0.97231602140923 0.75000000000000 0.99338871616113 88.906 > 19 77 Y 0.27768397859077 0.25000000000000 0.24338871616113 88.906 > 20 78 Y 0.77768397859077 0.25000000000000 0.24338871616113 88.906 > 20 79 Y 0.27768397859077 0.25000000000000 0.74338871616113 88.906 > 20 80 Y 0.77768397859077 0.25000000000000 0.74338871616113 88.906 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1567772 0.0000000 0.0000000 0.0000000 4.0659485 0.0000000 0.0000000 0.0000000 4.2169966 -------------------------- Born effective charges -------------------------- 1 O -2.3442985 0.0578483 -0.0536610 0.0842451 -2.1732119 0.1165946 -0.0196442 0.1484315 -2.2747994 2 O -2.3442985 0.0578483 0.0536610 0.0842451 -2.1732119 -0.1165946 0.0196442 -0.1484315 -2.2747994 3 O -2.3442985 -0.0578483 0.0536610 -0.0842451 -2.1732119 0.1165946 0.0196442 0.1484315 -2.2747994 4 O -2.3442985 -0.0578483 -0.0536610 -0.0842451 -2.1732119 -0.1165946 -0.0196442 -0.1484315 -2.2747994 5 O -2.3442985 0.0578483 -0.0536610 0.0842451 -2.1732119 0.1165946 -0.0196442 0.1484315 -2.2747994 6 O -2.3442985 0.0578483 0.0536610 0.0842451 -2.1732119 -0.1165946 0.0196442 -0.1484315 -2.2747994 7 O -2.3442985 -0.0578483 0.0536610 -0.0842451 -2.1732119 0.1165946 0.0196442 0.1484315 -2.2747994 8 O -2.3442985 -0.0578483 -0.0536610 -0.0842451 -2.1732119 -0.1165946 -0.0196442 -0.1484315 -2.2747994 9 O -2.1403729 0.0000000 -0.2183967 0.0000000 -2.3033280 0.0000000 -0.3321377 0.0000000 -2.3891285 10 O -2.1403729 0.0000000 0.2183967 0.0000000 -2.3033280 0.0000000 0.3321377 0.0000000 -2.3891285 11 O -2.1403729 0.0000000 0.2183967 0.0000000 -2.3033280 0.0000000 0.3321377 0.0000000 -2.3891285 12 O -2.1403729 0.0000000 -0.2183967 0.0000000 -2.3033280 0.0000000 -0.3321377 0.0000000 -2.3891285 13 Al 2.9544620 -0.0834662 -0.2116428 0.0082471 2.9408601 -0.1912180 -0.0129412 0.0586880 2.9203839 14 Al 2.9544620 -0.0834662 0.2116428 0.0082471 2.9408601 0.1912180 0.0129412 -0.0586880 2.9203839 15 Al 2.9544620 0.0834662 0.2116428 -0.0082471 2.9408601 -0.1912180 0.0129412 0.0586880 2.9203839 16 Al 2.9544620 0.0834662 -0.2116428 -0.0082471 2.9408601 0.1912180 -0.0129412 -0.0586880 2.9203839 17 Y 3.8745080 0.0000000 -0.0348017 0.0000000 3.7088917 0.0000000 0.1852544 0.0000000 4.0183434 18 Y 3.8745080 0.0000000 0.0348017 0.0000000 3.7088917 0.0000000 -0.1852544 0.0000000 4.0183434 19 Y 3.8745080 0.0000000 0.0348017 0.0000000 3.7088917 0.0000000 -0.1852544 0.0000000 4.0183434 20 Y 3.8745080 0.0000000 -0.0348017 0.0000000 3.7088917 0.0000000 0.1852544 0.0000000 4.0183434 ---------------------------------------------------------------------------- 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: 994 Number of blocks in projector: 994 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: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.721 Solver_block: 200 / 320 - Time: 0.724 Solver_block: 300 / 320 - Time: 0.723 Solver_block: 320 / 320 - Time: 0.179 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.364 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) 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: 994 Number of blocks in projector: 994 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: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:47:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:47:47]------------------------- 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: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.327864670000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.364245920000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.162599930000001 Atomic positions (fractional): 1 O 0.79469476950233 0.45413759002320 0.20477421583276 15.999 2 O 0.70530523049767 0.54586240997680 0.70477421583276 15.999 3 O 0.29469476950233 0.04586240997680 0.29522578416724 15.999 4 O 0.20530523049767 0.95413759002320 0.79522578416724 15.999 5 O 0.20530523049767 0.54586240997680 0.79522578416724 15.999 6 O 0.29469476950233 0.45413759002320 0.29522578416724 15.999 7 O 0.70530523049767 0.95413759002320 0.70477421583276 15.999 8 O 0.79469476950233 0.04586240997680 0.20477421583276 15.999 9 O 0.97679073352591 0.25000000000000 0.58708579897015 15.999 10 O 0.52320926647409 0.75000000000000 0.08708579897015 15.999 11 O 0.47679073352591 0.25000000000000 0.91291420102985 15.999 12 O 0.02320926647409 0.75000000000000 0.41291420102985 15.999 13 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 14 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 15 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 16 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 17 Y 0.44463204281847 0.75000000000000 0.51322256767773 88.906 18 Y 0.05536795718153 0.25000000000000 0.01322256767773 88.906 19 Y 0.94463204281847 0.75000000000000 0.98677743232227 88.906 20 Y 0.55536795718153 0.25000000000000 0.48677743232227 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.655729340000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.364245920000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.325199860000001 Atomic positions (fractional): 1 O 0.39734738475117 0.45413759002320 0.10238710791638 15.999 > 1 2 O 0.89734738475117 0.45413759002320 0.10238710791638 15.999 > 1 3 O 0.39734738475117 0.45413759002320 0.60238710791638 15.999 > 1 4 O 0.89734738475117 0.45413759002320 0.60238710791638 15.999 > 1 5 O 0.35265261524883 0.54586240997680 0.35238710791638 15.999 > 5 6 O 0.85265261524883 0.54586240997680 0.35238710791638 15.999 > 5 7 O 0.35265261524883 0.54586240997680 0.85238710791638 15.999 > 5 8 O 0.85265261524883 0.54586240997680 0.85238710791638 15.999 > 5 9 O 0.14734738475117 0.04586240997680 0.14761289208362 15.999 > 9 10 O 0.64734738475117 0.04586240997680 0.14761289208362 15.999 > 9 11 O 0.14734738475117 0.04586240997680 0.64761289208362 15.999 > 9 12 O 0.64734738475117 0.04586240997680 0.64761289208362 15.999 > 9 13 O 0.10265261524883 0.95413759002320 0.39761289208362 15.999 > 13 14 O 0.60265261524883 0.95413759002320 0.39761289208362 15.999 > 13 15 O 0.10265261524883 0.95413759002320 0.89761289208362 15.999 > 13 16 O 0.60265261524883 0.95413759002320 0.89761289208362 15.999 > 13 17 O 0.10265261524883 0.54586240997680 0.39761289208362 15.999 > 17 18 O 0.60265261524883 0.54586240997680 0.39761289208362 15.999 > 17 19 O 0.10265261524883 0.54586240997680 0.89761289208362 15.999 > 17 20 O 0.60265261524883 0.54586240997680 0.89761289208362 15.999 > 17 21 O 0.14734738475117 0.45413759002320 0.14761289208362 15.999 > 21 22 O 0.64734738475117 0.45413759002320 0.14761289208362 15.999 > 21 23 O 0.14734738475117 0.45413759002320 0.64761289208362 15.999 > 21 24 O 0.64734738475117 0.45413759002320 0.64761289208362 15.999 > 21 25 O 0.35265261524883 0.95413759002320 0.35238710791638 15.999 > 25 26 O 0.85265261524883 0.95413759002320 0.35238710791638 15.999 > 25 27 O 0.35265261524883 0.95413759002320 0.85238710791638 15.999 > 25 28 O 0.85265261524883 0.95413759002320 0.85238710791638 15.999 > 25 29 O 0.39734738475117 0.04586240997680 0.10238710791638 15.999 > 29 30 O 0.89734738475117 0.04586240997680 0.10238710791638 15.999 > 29 31 O 0.39734738475117 0.04586240997680 0.60238710791638 15.999 > 29 32 O 0.89734738475117 0.04586240997680 0.60238710791638 15.999 > 29 33 O 0.48839536676296 0.25000000000000 0.29354289948508 15.999 > 33 34 O 0.98839536676296 0.25000000000000 0.29354289948508 15.999 > 33 35 O 0.48839536676296 0.25000000000000 0.79354289948508 15.999 > 33 36 O 0.98839536676296 0.25000000000000 0.79354289948508 15.999 > 33 37 O 0.26160463323704 0.75000000000000 0.04354289948508 15.999 > 37 38 O 0.76160463323704 0.75000000000000 0.04354289948508 15.999 > 37 39 O 0.26160463323704 0.75000000000000 0.54354289948508 15.999 > 37 40 O 0.76160463323704 0.75000000000000 0.54354289948508 15.999 > 37 41 O 0.23839536676296 0.25000000000000 0.45645710051492 15.999 > 41 42 O 0.73839536676296 0.25000000000000 0.45645710051492 15.999 > 41 43 O 0.23839536676296 0.25000000000000 0.95645710051492 15.999 > 41 44 O 0.73839536676296 0.25000000000000 0.95645710051492 15.999 > 41 45 O 0.01160463323704 0.75000000000000 0.20645710051492 15.999 > 45 46 O 0.51160463323704 0.75000000000000 0.20645710051492 15.999 > 45 47 O 0.01160463323704 0.75000000000000 0.70645710051492 15.999 > 45 48 O 0.51160463323704 0.75000000000000 0.70645710051492 15.999 > 45 49 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 49 50 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 49 51 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 49 52 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 49 53 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 53 54 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 53 55 Al 0.25000000000000 0.00000000000000 0.50000000000000 26.982 > 53 56 Al 0.75000000000000 0.00000000000000 0.50000000000000 26.982 > 53 57 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 57 58 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 57 59 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 57 60 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 57 61 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 61 62 Al 0.50000000000000 0.50000000000000 0.25000000000000 26.982 > 61 63 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 61 64 Al 0.50000000000000 0.50000000000000 0.75000000000000 26.982 > 61 65 Y 0.22231602140923 0.75000000000000 0.25661128383887 88.906 > 65 66 Y 0.72231602140923 0.75000000000000 0.25661128383887 88.906 > 65 67 Y 0.22231602140923 0.75000000000000 0.75661128383887 88.906 > 65 68 Y 0.72231602140923 0.75000000000000 0.75661128383887 88.906 > 65 69 Y 0.02768397859077 0.25000000000000 0.00661128383887 88.906 > 69 70 Y 0.52768397859077 0.25000000000000 0.00661128383887 88.906 > 69 71 Y 0.02768397859077 0.25000000000000 0.50661128383887 88.906 > 69 72 Y 0.52768397859077 0.25000000000000 0.50661128383887 88.906 > 69 73 Y 0.47231602140923 0.75000000000000 0.49338871616113 88.906 > 73 74 Y 0.97231602140923 0.75000000000000 0.49338871616113 88.906 > 73 75 Y 0.47231602140923 0.75000000000000 0.99338871616113 88.906 > 73 76 Y 0.97231602140923 0.75000000000000 0.99338871616113 88.906 > 73 77 Y 0.27768397859077 0.25000000000000 0.24338871616113 88.906 > 77 78 Y 0.77768397859077 0.25000000000000 0.24338871616113 88.906 > 77 79 Y 0.27768397859077 0.25000000000000 0.74338871616113 88.906 > 77 80 Y 0.77768397859077 0.25000000000000 0.74338871616113 88.906 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1567772 0.0000000 0.0000000 0.0000000 4.0659485 0.0000000 0.0000000 0.0000000 4.2169966 -------------------------- Born effective charges -------------------------- 1 O -2.3442985 0.0578483 -0.0536610 0.0842451 -2.1732119 0.1165946 -0.0196442 0.1484315 -2.2747994 2 O -2.3442985 0.0578483 0.0536610 0.0842451 -2.1732119 -0.1165946 0.0196442 -0.1484315 -2.2747994 3 O -2.3442985 -0.0578483 0.0536610 -0.0842451 -2.1732119 0.1165946 0.0196442 0.1484315 -2.2747994 4 O -2.3442985 -0.0578483 -0.0536610 -0.0842451 -2.1732119 -0.1165946 -0.0196442 -0.1484315 -2.2747994 5 O -2.3442985 0.0578483 -0.0536610 0.0842451 -2.1732119 0.1165946 -0.0196442 0.1484315 -2.2747994 6 O -2.3442985 0.0578483 0.0536610 0.0842451 -2.1732119 -0.1165946 0.0196442 -0.1484315 -2.2747994 7 O -2.3442985 -0.0578483 0.0536610 -0.0842451 -2.1732119 0.1165946 0.0196442 0.1484315 -2.2747994 8 O -2.3442985 -0.0578483 -0.0536610 -0.0842451 -2.1732119 -0.1165946 -0.0196442 -0.1484315 -2.2747994 9 O -2.1403729 0.0000000 -0.2183967 0.0000000 -2.3033280 0.0000000 -0.3321377 0.0000000 -2.3891285 10 O -2.1403729 0.0000000 0.2183967 0.0000000 -2.3033280 0.0000000 0.3321377 0.0000000 -2.3891285 11 O -2.1403729 0.0000000 0.2183967 0.0000000 -2.3033280 0.0000000 0.3321377 0.0000000 -2.3891285 12 O -2.1403729 0.0000000 -0.2183967 0.0000000 -2.3033280 0.0000000 -0.3321377 0.0000000 -2.3891285 13 Al 2.9544620 -0.0834662 -0.2116428 0.0082471 2.9408601 -0.1912180 -0.0129412 0.0586880 2.9203839 14 Al 2.9544620 -0.0834662 0.2116428 0.0082471 2.9408601 0.1912180 0.0129412 -0.0586880 2.9203839 15 Al 2.9544620 0.0834662 0.2116428 -0.0082471 2.9408601 -0.1912180 0.0129412 0.0586880 2.9203839 16 Al 2.9544620 0.0834662 -0.2116428 -0.0082471 2.9408601 0.1912180 -0.0129412 -0.0586880 2.9203839 17 Y 3.8745080 0.0000000 -0.0348017 0.0000000 3.7088917 0.0000000 0.1852544 0.0000000 4.0183434 18 Y 3.8745080 0.0000000 0.0348017 0.0000000 3.7088917 0.0000000 -0.1852544 0.0000000 4.0183434 19 Y 3.8745080 0.0000000 0.0348017 0.0000000 3.7088917 0.0000000 -0.1852544 0.0000000 4.0183434 20 Y 3.8745080 0.0000000 -0.0348017 0.0000000 3.7088917 0.0000000 0.1852544 0.0000000 4.0183434 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (yzy) 0.00000003 (yzy) 0.00000003 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000005 (zx) 0.00000005 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:47:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:47:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.327864670000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.364245920000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.162599930000001 Atomic positions (fractional): 1 O 0.79469476950233 0.45413759002320 0.20477421583276 15.999 2 O 0.70530523049767 0.54586240997680 0.70477421583276 15.999 3 O 0.29469476950233 0.04586240997680 0.29522578416724 15.999 4 O 0.20530523049767 0.95413759002320 0.79522578416724 15.999 5 O 0.20530523049767 0.54586240997680 0.79522578416724 15.999 6 O 0.29469476950233 0.45413759002320 0.29522578416724 15.999 7 O 0.70530523049767 0.95413759002320 0.70477421583276 15.999 8 O 0.79469476950233 0.04586240997680 0.20477421583276 15.999 9 O 0.97679073352591 0.25000000000000 0.58708579897015 15.999 10 O 0.52320926647409 0.75000000000000 0.08708579897015 15.999 11 O 0.47679073352591 0.25000000000000 0.91291420102985 15.999 12 O 0.02320926647409 0.75000000000000 0.41291420102985 15.999 13 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 14 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 15 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 16 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 17 Y 0.44463204281847 0.75000000000000 0.51322256767773 88.906 18 Y 0.05536795718153 0.25000000000000 0.01322256767773 88.906 19 Y 0.94463204281847 0.75000000000000 0.98677743232227 88.906 20 Y 0.55536795718153 0.25000000000000 0.48677743232227 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.655729340000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.364245920000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.325199860000001 Atomic positions (fractional): 1 O 0.39734738475117 0.45413759002320 0.10238710791638 15.999 > 1 2 O 0.89734738475117 0.45413759002320 0.10238710791638 15.999 > 1 3 O 0.39734738475117 0.45413759002320 0.60238710791638 15.999 > 1 4 O 0.89734738475117 0.45413759002320 0.60238710791638 15.999 > 1 5 O 0.35265261524883 0.54586240997680 0.35238710791638 15.999 > 5 6 O 0.85265261524883 0.54586240997680 0.35238710791638 15.999 > 5 7 O 0.35265261524883 0.54586240997680 0.85238710791638 15.999 > 5 8 O 0.85265261524883 0.54586240997680 0.85238710791638 15.999 > 5 9 O 0.14734738475117 0.04586240997680 0.14761289208362 15.999 > 9 10 O 0.64734738475117 0.04586240997680 0.14761289208362 15.999 > 9 11 O 0.14734738475117 0.04586240997680 0.64761289208362 15.999 > 9 12 O 0.64734738475117 0.04586240997680 0.64761289208362 15.999 > 9 13 O 0.10265261524883 0.95413759002320 0.39761289208362 15.999 > 13 14 O 0.60265261524883 0.95413759002320 0.39761289208362 15.999 > 13 15 O 0.10265261524883 0.95413759002320 0.89761289208362 15.999 > 13 16 O 0.60265261524883 0.95413759002320 0.89761289208362 15.999 > 13 17 O 0.10265261524883 0.54586240997680 0.39761289208362 15.999 > 17 18 O 0.60265261524883 0.54586240997680 0.39761289208362 15.999 > 17 19 O 0.10265261524883 0.54586240997680 0.89761289208362 15.999 > 17 20 O 0.60265261524883 0.54586240997680 0.89761289208362 15.999 > 17 21 O 0.14734738475117 0.45413759002320 0.14761289208362 15.999 > 21 22 O 0.64734738475117 0.45413759002320 0.14761289208362 15.999 > 21 23 O 0.14734738475117 0.45413759002320 0.64761289208362 15.999 > 21 24 O 0.64734738475117 0.45413759002320 0.64761289208362 15.999 > 21 25 O 0.35265261524883 0.95413759002320 0.35238710791638 15.999 > 25 26 O 0.85265261524883 0.95413759002320 0.35238710791638 15.999 > 25 27 O 0.35265261524883 0.95413759002320 0.85238710791638 15.999 > 25 28 O 0.85265261524883 0.95413759002320 0.85238710791638 15.999 > 25 29 O 0.39734738475117 0.04586240997680 0.10238710791638 15.999 > 29 30 O 0.89734738475117 0.04586240997680 0.10238710791638 15.999 > 29 31 O 0.39734738475117 0.04586240997680 0.60238710791638 15.999 > 29 32 O 0.89734738475117 0.04586240997680 0.60238710791638 15.999 > 29 33 O 0.48839536676296 0.25000000000000 0.29354289948508 15.999 > 33 34 O 0.98839536676296 0.25000000000000 0.29354289948508 15.999 > 33 35 O 0.48839536676296 0.25000000000000 0.79354289948508 15.999 > 33 36 O 0.98839536676296 0.25000000000000 0.79354289948508 15.999 > 33 37 O 0.26160463323704 0.75000000000000 0.04354289948508 15.999 > 37 38 O 0.76160463323704 0.75000000000000 0.04354289948508 15.999 > 37 39 O 0.26160463323704 0.75000000000000 0.54354289948508 15.999 > 37 40 O 0.76160463323704 0.75000000000000 0.54354289948508 15.999 > 37 41 O 0.23839536676296 0.25000000000000 0.45645710051492 15.999 > 41 42 O 0.73839536676296 0.25000000000000 0.45645710051492 15.999 > 41 43 O 0.23839536676296 0.25000000000000 0.95645710051492 15.999 > 41 44 O 0.73839536676296 0.25000000000000 0.95645710051492 15.999 > 41 45 O 0.01160463323704 0.75000000000000 0.20645710051492 15.999 > 45 46 O 0.51160463323704 0.75000000000000 0.20645710051492 15.999 > 45 47 O 0.01160463323704 0.75000000000000 0.70645710051492 15.999 > 45 48 O 0.51160463323704 0.75000000000000 0.70645710051492 15.999 > 45 49 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 49 50 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 49 51 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 49 52 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 49 53 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 53 54 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 53 55 Al 0.25000000000000 0.00000000000000 0.50000000000000 26.982 > 53 56 Al 0.75000000000000 0.00000000000000 0.50000000000000 26.982 > 53 57 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 57 58 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 57 59 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 57 60 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 57 61 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 61 62 Al 0.50000000000000 0.50000000000000 0.25000000000000 26.982 > 61 63 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 61 64 Al 0.50000000000000 0.50000000000000 0.75000000000000 26.982 > 61 65 Y 0.22231602140923 0.75000000000000 0.25661128383887 88.906 > 65 66 Y 0.72231602140923 0.75000000000000 0.25661128383887 88.906 > 65 67 Y 0.22231602140923 0.75000000000000 0.75661128383887 88.906 > 65 68 Y 0.72231602140923 0.75000000000000 0.75661128383887 88.906 > 65 69 Y 0.02768397859077 0.25000000000000 0.00661128383887 88.906 > 69 70 Y 0.52768397859077 0.25000000000000 0.00661128383887 88.906 > 69 71 Y 0.02768397859077 0.25000000000000 0.50661128383887 88.906 > 69 72 Y 0.52768397859077 0.25000000000000 0.50661128383887 88.906 > 69 73 Y 0.47231602140923 0.75000000000000 0.49338871616113 88.906 > 73 74 Y 0.97231602140923 0.75000000000000 0.49338871616113 88.906 > 73 75 Y 0.47231602140923 0.75000000000000 0.99338871616113 88.906 > 73 76 Y 0.97231602140923 0.75000000000000 0.99338871616113 88.906 > 73 77 Y 0.27768397859077 0.25000000000000 0.24338871616113 88.906 > 77 78 Y 0.77768397859077 0.25000000000000 0.24338871616113 88.906 > 77 79 Y 0.27768397859077 0.25000000000000 0.74338871616113 88.906 > 77 80 Y 0.77768397859077 0.25000000000000 0.74338871616113 88.906 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1567772 0.0000000 0.0000000 0.0000000 4.0659485 0.0000000 0.0000000 0.0000000 4.2169966 -------------------------- Born effective charges -------------------------- 1 O -2.3442985 0.0578483 -0.0536610 0.0842451 -2.1732119 0.1165946 -0.0196442 0.1484315 -2.2747994 2 O -2.3442985 0.0578483 0.0536610 0.0842451 -2.1732119 -0.1165946 0.0196442 -0.1484315 -2.2747994 3 O -2.3442985 -0.0578483 0.0536610 -0.0842451 -2.1732119 0.1165946 0.0196442 0.1484315 -2.2747994 4 O -2.3442985 -0.0578483 -0.0536610 -0.0842451 -2.1732119 -0.1165946 -0.0196442 -0.1484315 -2.2747994 5 O -2.3442985 0.0578483 -0.0536610 0.0842451 -2.1732119 0.1165946 -0.0196442 0.1484315 -2.2747994 6 O -2.3442985 0.0578483 0.0536610 0.0842451 -2.1732119 -0.1165946 0.0196442 -0.1484315 -2.2747994 7 O -2.3442985 -0.0578483 0.0536610 -0.0842451 -2.1732119 0.1165946 0.0196442 0.1484315 -2.2747994 8 O -2.3442985 -0.0578483 -0.0536610 -0.0842451 -2.1732119 -0.1165946 -0.0196442 -0.1484315 -2.2747994 9 O -2.1403729 0.0000000 -0.2183967 0.0000000 -2.3033280 0.0000000 -0.3321377 0.0000000 -2.3891285 10 O -2.1403729 0.0000000 0.2183967 0.0000000 -2.3033280 0.0000000 0.3321377 0.0000000 -2.3891285 11 O -2.1403729 0.0000000 0.2183967 0.0000000 -2.3033280 0.0000000 0.3321377 0.0000000 -2.3891285 12 O -2.1403729 0.0000000 -0.2183967 0.0000000 -2.3033280 0.0000000 -0.3321377 0.0000000 -2.3891285 13 Al 2.9544620 -0.0834662 -0.2116428 0.0082471 2.9408601 -0.1912180 -0.0129412 0.0586880 2.9203839 14 Al 2.9544620 -0.0834662 0.2116428 0.0082471 2.9408601 0.1912180 0.0129412 -0.0586880 2.9203839 15 Al 2.9544620 0.0834662 0.2116428 -0.0082471 2.9408601 -0.1912180 0.0129412 0.0586880 2.9203839 16 Al 2.9544620 0.0834662 -0.2116428 -0.0082471 2.9408601 0.1912180 -0.0129412 -0.0586880 2.9203839 17 Y 3.8745080 0.0000000 -0.0348017 0.0000000 3.7088917 0.0000000 0.1852544 0.0000000 4.0183434 18 Y 3.8745080 0.0000000 0.0348017 0.0000000 3.7088917 0.0000000 -0.1852544 0.0000000 4.0183434 19 Y 3.8745080 0.0000000 0.0348017 0.0000000 3.7088917 0.0000000 -0.1852544 0.0000000 4.0183434 20 Y 3.8745080 0.0000000 -0.0348017 0.0000000 3.7088917 0.0000000 0.1852544 0.0000000 4.0183434 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (yzy) 0.00000003 (yzy) 0.00000003 (yyz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 10 ] 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: 0.71, Number of G-points: 315, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 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 3.854 ( 0.000 0.000 0.000) 0.000 4.407 ( 0.000 0.000 0.000) 0.000 4.602 ( 0.000 0.000 0.000) 0.000 4.873 ( 0.000 0.000 0.000) 0.000 5.083 ( 0.000 0.000 0.000) 0.000 5.622 ( 0.000 0.000 0.000) 0.000 5.647 ( 0.000 0.000 0.000) 0.000 6.317 ( 0.000 0.000 0.000) 0.000 6.656 ( 0.000 0.000 0.000) 0.000 6.747 ( 0.000 0.000 0.000) 0.000 6.944 ( 0.000 0.000 0.000) 0.000 7.112 ( 0.000 0.000 0.000) 0.000 7.594 ( 0.000 0.000 0.000) 0.000 7.688 ( 0.000 0.000 0.000) 0.000 7.783 ( 0.000 0.000 0.000) 0.000 8.161 ( 0.000 0.000 0.000) 0.000 8.564 ( 0.000 0.000 0.000) 0.000 10.109 ( 0.000 0.000 0.000) 0.000 10.149 ( 0.000 0.000 0.000) 0.000 10.262 ( 0.000 0.000 0.000) 0.000 10.569 ( 0.000 0.000 0.000) 0.000 10.819 ( 0.000 0.000 0.000) 0.000 11.153 ( 0.000 0.000 0.000) 0.000 11.363 ( 0.000 0.000 0.000) 0.000 11.425 ( 0.000 0.000 0.000) 0.000 11.838 ( 0.000 0.000 0.000) 0.000 12.118 ( 0.000 0.000 0.000) 0.000 12.131 ( 0.000 0.000 0.000) 0.000 12.696 ( 0.000 0.000 0.000) 0.000 12.699 ( 0.000 0.000 0.000) 0.000 12.922 ( 0.000 0.000 0.000) 0.000 13.060 ( 0.000 0.000 0.000) 0.000 13.114 ( 0.000 0.000 0.000) 0.000 13.170 ( 0.000 0.000 0.000) 0.000 13.897 ( 0.000 0.000 0.000) 0.000 13.948 ( 0.000 0.000 0.000) 0.000 14.071 ( 0.000 0.000 0.000) 0.000 14.228 ( 0.000 0.000 0.000) 0.000 14.350 ( 0.000 0.000 0.000) 0.000 14.456 ( 0.000 0.000 0.000) 0.000 14.867 ( 0.000 0.000 0.000) 0.000 15.482 ( 0.000 0.000 0.000) 0.000 15.663 ( 0.000 0.000 0.000) 0.000 15.965 ( 0.000 0.000 0.000) 0.000 16.415 ( 0.000 0.000 0.000) 0.000 16.886 ( 0.000 0.000 0.000) 0.000 16.984 ( 0.000 0.000 0.000) 0.000 18.054 ( 0.000 0.000 0.000) 0.000 18.351 ( 0.000 0.000 0.000) 0.000 18.574 ( 0.000 0.000 0.000) 0.000 18.764 ( 0.000 0.000 0.000) 0.000 19.334 ( 0.000 0.000 0.000) 0.000 19.415 ( 0.000 0.000 0.000) 0.000 19.574 ( 0.000 0.000 0.000) 0.000 19.961 ( 0.000 0.000 0.000) 0.000 20.589 ( 0.000 0.000 0.000) 0.000 21.531 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 42.939 0.000 0.000) 42.939 1.131 ( 53.266 0.000 0.000) 53.266 1.520 ( 68.517 0.000 0.000) 68.517 3.897 ( 3.968 0.000 0.000) 3.968 4.423 ( 1.671 0.000 0.000) 1.671 4.627 ( 2.408 0.000 0.000) 2.408 4.901 ( -3.198 0.000 0.000) 3.198 5.037 ( -4.192 0.000 0.000) 4.192 5.545 ( -7.042 0.000 0.000) 7.042 5.633 ( -1.409 0.000 0.000) 1.409 6.182 ( -12.365 0.000 0.000) 12.365 6.448 ( -22.370 0.000 0.000) 22.370 6.713 ( 2.761 0.000 0.000) 2.761 7.055 ( 10.129 0.000 0.000) 10.129 7.147 ( 3.040 0.000 0.000) 3.040 7.697 ( 7.746 0.000 0.000) 7.746 8.149 ( -1.108 0.000 0.000) 1.108 8.198 ( 28.775 0.000 0.000) 28.775 8.615 ( 5.005 0.000 0.000) 5.005 8.880 ( -13.898 0.000 0.000) 13.898 10.022 ( -4.198 0.000 0.000) 4.198 10.087 ( -16.174 0.000 0.000) 16.174 10.444 ( 12.138 0.000 0.000) 12.138 10.568 ( 0.958 0.000 0.000) 0.958 10.754 ( -6.224 0.000 0.000) 6.224 11.189 ( -9.708 0.000 0.000) 9.708 11.295 ( -11.148 0.000 0.000) 11.148 11.433 ( 5.177 0.000 0.000) 5.177 11.758 ( -6.608 0.000 0.000) 6.608 12.210 ( 6.586 0.000 0.000) 6.586 12.253 ( 11.296 0.000 0.000) 11.296 12.779 ( 4.421 0.000 0.000) 4.421 12.871 ( 14.381 0.000 0.000) 14.381 12.917 ( -0.093 0.000 0.000) 0.093 13.081 ( 1.734 0.000 0.000) 1.734 13.200 ( 3.453 0.000 0.000) 3.453 13.963 ( 3.416 0.000 0.000) 3.416 14.064 ( -2.238 0.000 0.000) 2.238 14.169 ( 18.912 0.000 0.000) 18.912 14.219 ( -0.104 0.000 0.000) 0.104 14.371 ( 4.949 0.000 0.000) 4.949 14.439 ( 0.202 0.000 0.000) 0.202 14.787 ( -5.876 0.000 0.000) 5.876 15.477 ( -0.589 0.000 0.000) 0.589 15.881 ( 16.572 0.000 0.000) 16.572 15.899 ( -6.295 0.000 0.000) 6.295 16.209 ( -0.536 0.000 0.000) 0.536 16.282 ( -30.257 0.000 0.000) 30.257 17.492 ( 23.012 0.000 0.000) 23.012 17.821 ( -19.987 0.000 0.000) 19.987 17.828 ( 1.169 0.000 0.000) 1.169 18.305 ( -5.366 0.000 0.000) 5.366 18.739 ( -1.492 0.000 0.000) 1.492 19.297 ( -10.975 0.000 0.000) 10.975 19.316 ( -1.737 0.000 0.000) 1.737 19.482 ( -8.687 0.000 0.000) 8.687 20.164 ( 17.146 0.000 0.000) 17.146 20.655 ( 6.008 0.000 0.000) 6.008 21.539 ( 0.692 0.000 0.000) 0.692 21.958 ( -3.046 0.000 0.000) 3.046 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 40.305 0.000 0.000) 40.305 2.198 ( 48.284 0.000 0.000) 48.284 2.753 ( 47.397 0.000 0.000) 47.397 4.005 ( 5.780 0.000 0.000) 5.780 4.454 ( -1.101 0.000 0.000) 1.101 4.694 ( 3.503 0.000 0.000) 3.503 4.863 ( 2.602 0.000 0.000) 2.602 4.932 ( -4.919 0.000 0.000) 4.919 5.353 ( -10.551 0.000 0.000) 10.551 5.585 ( -3.371 0.000 0.000) 3.371 5.833 ( -20.053 0.000 0.000) 20.053 5.927 ( -25.448 0.000 0.000) 25.448 6.774 ( 2.767 0.000 0.000) 2.767 7.218 ( 3.104 0.000 0.000) 3.104 7.338 ( 16.218 0.000 0.000) 16.218 7.944 ( 13.973 0.000 0.000) 13.973 8.105 ( -3.232 0.000 0.000) 3.232 8.613 ( -8.137 0.000 0.000) 8.137 8.774 ( 9.943 0.000 0.000) 9.943 8.893 ( 37.133 0.000 0.000) 37.133 9.649 ( -24.125 0.000 0.000) 24.125 9.963 ( -2.635 0.000 0.000) 2.635 10.554 ( -13.106 0.000 0.000) 13.106 10.626 ( 4.638 0.000 0.000) 4.638 10.652 ( 5.424 0.000 0.000) 5.424 10.950 ( -9.456 0.000 0.000) 9.456 11.016 ( -14.622 0.000 0.000) 14.622 11.517 ( 1.753 0.000 0.000) 1.753 11.595 ( -8.653 0.000 0.000) 8.653 12.247 ( -6.341 0.000 0.000) 6.341 12.571 ( 18.274 0.000 0.000) 18.274 12.960 ( 12.831 0.000 0.000) 12.831 12.994 ( 9.857 0.000 0.000) 9.857 13.118 ( 1.621 0.000 0.000) 1.621 13.135 ( 7.293 0.000 0.000) 7.293 13.406 ( 18.514 0.000 0.000) 18.514 13.903 ( -8.702 0.000 0.000) 8.702 13.921 ( -10.853 0.000 0.000) 10.853 14.261 ( 4.610 0.000 0.000) 4.610 14.534 ( 8.371 0.000 0.000) 8.371 14.605 ( 19.346 0.000 0.000) 19.346 14.664 ( -5.785 0.000 0.000) 5.785 14.695 ( 25.495 0.000 0.000) 25.495 15.457 ( -1.039 0.000 0.000) 1.039 15.537 ( -33.322 0.000 0.000) 33.322 15.698 ( -13.169 0.000 0.000) 13.169 16.242 ( 5.935 0.000 0.000) 5.935 16.420 ( 26.446 0.000 0.000) 26.446 17.319 ( -26.538 0.000 0.000) 26.538 17.875 ( 3.364 0.000 0.000) 3.364 17.885 ( 14.393 0.000 0.000) 14.393 18.079 ( -16.834 0.000 0.000) 16.834 18.746 ( 2.498 0.000 0.000) 2.498 18.978 ( -19.120 0.000 0.000) 19.120 19.219 ( -16.263 0.000 0.000) 16.263 19.263 ( -3.331 0.000 0.000) 3.331 20.574 ( 20.385 0.000 0.000) 20.385 20.822 ( 9.615 0.000 0.000) 9.615 21.551 ( 0.246 0.000 0.000) 0.246 21.865 ( -5.842 0.000 0.000) 5.842 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 35.763 0.000 0.000) 35.763 3.111 ( 38.333 0.000 0.000) 38.333 3.475 ( 23.608 0.000 0.000) 23.608 4.106 ( 2.890 0.000 0.000) 2.890 4.302 ( -11.980 0.000 0.000) 11.980 4.703 ( -4.799 0.000 0.000) 4.799 4.899 ( 2.826 0.000 0.000) 2.826 5.026 ( 8.315 0.000 0.000) 8.315 5.143 ( -8.567 0.000 0.000) 8.567 5.414 ( -17.529 0.000 0.000) 17.529 5.446 ( -19.635 0.000 0.000) 19.635 5.488 ( -5.865 0.000 0.000) 5.865 6.840 ( 4.104 0.000 0.000) 4.104 7.244 ( -1.293 0.000 0.000) 1.293 7.700 ( 17.693 0.000 0.000) 17.693 8.088 ( 4.088 0.000 0.000) 4.088 8.223 ( 12.164 0.000 0.000) 12.164 8.588 ( 4.841 0.000 0.000) 4.841 9.004 ( 11.074 0.000 0.000) 11.074 9.141 ( -23.234 0.000 0.000) 23.234 9.708 ( 39.849 0.000 0.000) 39.849 9.880 ( -5.589 0.000 0.000) 5.589 10.206 ( -19.991 0.000 0.000) 19.991 10.543 ( -10.012 0.000 0.000) 10.012 10.716 ( -13.441 0.000 0.000) 13.441 10.759 ( 8.027 0.000 0.000) 8.027 10.993 ( 9.600 0.000 0.000) 9.600 11.401 ( -9.924 0.000 0.000) 9.924 11.459 ( -8.419 0.000 0.000) 8.419 11.962 ( -18.371 0.000 0.000) 18.371 12.982 ( 20.429 0.000 0.000) 20.429 13.151 ( 1.993 0.000 0.000) 1.993 13.240 ( 4.305 0.000 0.000) 4.305 13.292 ( 18.399 0.000 0.000) 18.399 13.301 ( 16.827 0.000 0.000) 16.827 13.667 ( -12.423 0.000 0.000) 12.423 13.674 ( -11.464 0.000 0.000) 11.464 13.863 ( 22.672 0.000 0.000) 22.672 14.391 ( 5.811 0.000 0.000) 5.811 14.562 ( -2.107 0.000 0.000) 2.107 14.696 ( 4.187 0.000 0.000) 4.187 14.848 ( 2.601 0.000 0.000) 2.601 14.856 ( -30.951 0.000 0.000) 30.951 15.353 ( -19.176 0.000 0.000) 19.176 15.354 ( 36.080 0.000 0.000) 36.080 15.481 ( 5.355 0.000 0.000) 5.355 16.544 ( 23.272 0.000 0.000) 23.272 16.757 ( -26.717 0.000 0.000) 26.717 17.003 ( 28.327 0.000 0.000) 28.327 17.612 ( -27.451 0.000 0.000) 27.451 17.963 ( 4.804 0.000 0.000) 4.804 18.092 ( 5.514 0.000 0.000) 5.514 18.516 ( -24.571 0.000 0.000) 24.571 18.817 ( -21.789 0.000 0.000) 21.789 18.831 ( 5.218 0.000 0.000) 5.218 19.179 ( -4.663 0.000 0.000) 4.663 20.970 ( 17.032 0.000 0.000) 17.032 21.044 ( 11.447 0.000 0.000) 11.447 21.536 ( -2.025 0.000 0.000) 2.025 21.716 ( -8.335 0.000 0.000) 8.335 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.253 ( 28.693 0.000 0.000) 28.693 3.703 ( -8.914 0.000 0.000) 8.914 3.759 ( 23.169 0.000 0.000) 23.169 4.073 ( -7.389 0.000 0.000) 7.389 4.155 ( 7.356 0.000 0.000) 7.356 4.474 ( -16.478 0.000 0.000) 16.478 4.982 ( 4.340 0.000 0.000) 4.340 5.039 ( -0.604 0.000 0.000) 0.604 5.075 ( -3.091 0.000 0.000) 3.091 5.135 ( -9.875 0.000 0.000) 9.875 5.236 ( 1.102 0.000 0.000) 1.102 5.347 ( -7.200 0.000 0.000) 7.200 6.967 ( 8.119 0.000 0.000) 8.119 7.147 ( -7.772 0.000 0.000) 7.772 8.035 ( 13.222 0.000 0.000) 13.222 8.188 ( 0.072 0.000 0.000) 0.072 8.457 ( 11.017 0.000 0.000) 11.017 8.727 ( -15.981 0.000 0.000) 15.981 8.833 ( 19.083 0.000 0.000) 19.083 9.143 ( -2.477 0.000 0.000) 2.477 9.748 ( -5.721 0.000 0.000) 5.721 9.793 ( -14.562 0.000 0.000) 14.562 10.411 ( -1.588 0.000 0.000) 1.588 10.484 ( -8.086 0.000 0.000) 8.086 10.502 ( 34.963 0.000 0.000) 34.963 10.946 ( 8.311 0.000 0.000) 8.311 11.138 ( -21.280 0.000 0.000) 21.280 11.185 ( -10.618 0.000 0.000) 10.618 11.238 ( 13.690 0.000 0.000) 13.690 11.569 ( -17.975 0.000 0.000) 17.975 13.229 ( 5.956 0.000 0.000) 5.956 13.332 ( 3.926 0.000 0.000) 3.926 13.383 ( 16.320 0.000 0.000) 16.320 13.419 ( -9.697 0.000 0.000) 9.697 13.474 ( -7.645 0.000 0.000) 7.645 13.550 ( 2.964 0.000 0.000) 2.964 13.710 ( 21.803 0.000 0.000) 21.803 14.214 ( -25.950 0.000 0.000) 25.950 14.308 ( 19.132 0.000 0.000) 19.132 14.490 ( 5.667 0.000 0.000) 5.667 14.627 ( -10.468 0.000 0.000) 10.468 14.695 ( 10.842 0.000 0.000) 10.842 14.733 ( -12.379 0.000 0.000) 12.379 14.965 ( -15.918 0.000 0.000) 15.918 15.734 ( 18.184 0.000 0.000) 18.184 16.078 ( 13.759 0.000 0.000) 13.759 16.288 ( 0.535 0.000 0.000) 0.535 16.955 ( -34.973 0.000 0.000) 34.973 17.132 ( 30.171 0.000 0.000) 30.171 17.504 ( 10.923 0.000 0.000) 10.923 17.995 ( -12.911 0.000 0.000) 12.911 18.047 ( 1.466 0.000 0.000) 1.466 18.173 ( -0.944 0.000 0.000) 0.944 18.344 ( -21.429 0.000 0.000) 21.429 18.949 ( 5.937 0.000 0.000) 5.937 19.071 ( -5.604 0.000 0.000) 5.604 21.270 ( 11.581 0.000 0.000) 11.581 21.288 ( 11.638 0.000 0.000) 11.638 21.454 ( -6.167 0.000 0.000) 6.167 21.520 ( -10.410 0.000 0.000) 10.410 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 0.000 48.951 0.000) 48.951 1.035 ( 0.000 52.351 0.000) 52.351 1.571 ( 0.000 79.310 0.000) 79.310 3.873 ( 0.000 0.688 0.000) 0.688 4.320 ( 0.000 -9.033 0.000) 9.033 4.548 ( 0.000 -4.329 0.000) 4.329 4.879 ( 0.000 0.549 0.000) 0.549 5.141 ( 0.000 5.696 0.000) 5.696 5.553 ( 0.000 -6.867 0.000) 6.867 5.601 ( 0.000 -4.429 0.000) 4.429 6.248 ( 0.000 -6.844 0.000) 6.844 6.646 ( 0.000 -10.489 0.000) 10.489 6.962 ( 0.000 1.807 0.000) 1.807 7.121 ( 0.000 0.737 0.000) 0.737 7.475 ( 0.000 -6.787 0.000) 6.787 7.634 ( 0.000 -7.266 0.000) 7.266 7.829 ( 0.000 8.998 0.000) 8.998 8.172 ( 0.000 0.294 0.000) 0.294 8.633 ( 0.000 7.139 0.000) 7.139 8.772 ( 0.000 1.119 0.000) 1.119 9.985 ( 0.000 -13.625 0.000) 13.625 10.236 ( 0.000 8.051 0.000) 8.051 10.363 ( 0.000 9.198 0.000) 9.198 10.624 ( 0.000 -19.109 0.000) 19.109 10.695 ( 0.000 13.150 0.000) 13.150 10.917 ( 0.000 -15.533 0.000) 15.533 11.124 ( 0.000 -9.484 0.000) 9.484 11.720 ( 0.000 14.364 0.000) 14.364 12.071 ( 0.000 16.370 0.000) 16.370 12.120 ( 0.000 0.645 0.000) 0.645 12.149 ( 0.000 1.862 0.000) 1.862 12.694 ( 0.000 0.047 0.000) 0.047 12.729 ( 0.000 1.716 0.000) 1.716 12.893 ( 0.000 -2.996 0.000) 2.996 13.119 ( 0.000 5.843 0.000) 5.843 13.143 ( 0.000 2.778 0.000) 2.778 13.841 ( 0.000 -8.829 0.000) 8.829 13.936 ( 0.000 3.854 0.000) 3.854 14.025 ( 0.000 -4.998 0.000) 4.998 14.169 ( 0.000 -5.854 0.000) 5.854 14.228 ( 0.000 3.910 0.000) 3.910 14.374 ( 0.000 -7.757 0.000) 7.757 14.989 ( 0.000 12.915 0.000) 12.915 15.572 ( 0.000 8.885 0.000) 8.885 15.738 ( 0.000 7.104 0.000) 7.104 15.954 ( 0.000 -0.930 0.000) 0.930 16.366 ( 0.000 -4.840 0.000) 4.840 16.826 ( 0.000 -5.803 0.000) 5.803 16.919 ( 0.000 -6.575 0.000) 6.575 17.753 ( 0.000 4.587 0.000) 4.587 18.146 ( 0.000 2.506 0.000) 2.506 18.207 ( 0.000 -19.634 0.000) 19.634 18.548 ( 0.000 -2.726 0.000) 2.726 18.649 ( 0.000 -4.076 0.000) 4.076 19.203 ( 0.000 -24.049 0.000) 24.049 19.364 ( 0.000 -5.076 0.000) 5.076 20.372 ( 0.000 28.123 0.000) 28.123 20.773 ( 0.000 16.045 0.000) 16.045 21.546 ( 0.000 1.322 0.000) 1.322 22.414 ( 0.000 -7.234 0.000) 7.234 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 29.678 28.230 0.000) 40.960 1.305 ( 27.861 34.138 0.000) 44.065 2.323 ( 50.829 57.478 0.000) 76.729 3.899 ( 2.394 -0.813 0.000) 2.528 4.319 ( 1.120 -9.691 0.000) 9.756 4.573 ( 2.272 -4.580 0.000) 5.112 4.876 ( -2.159 -1.513 0.000) 2.636 5.092 ( -4.482 5.289 0.000) 6.933 5.472 ( -7.299 -6.949 0.000) 10.077 5.584 ( -1.629 -4.619 0.000) 4.898 6.131 ( -10.792 -5.201 0.000) 11.980 6.407 ( -19.904 -6.621 0.000) 20.976 7.068 ( 9.635 1.258 0.000) 9.717 7.161 ( 3.559 1.218 0.000) 3.762 7.175 ( -14.454 30.835 0.000) 34.054 7.656 ( 5.006 -2.778 0.000) 5.725 7.969 ( 15.893 -11.374 0.000) 19.543 8.290 ( 11.920 1.149 0.000) 11.976 8.676 ( 4.233 6.365 0.000) 7.644 8.697 ( -8.038 -8.654 0.000) 11.812 9.934 ( -2.943 -10.568 0.000) 10.971 10.114 ( -19.171 -0.222 0.000) 19.172 10.423 ( 11.086 -0.889 0.000) 11.121 10.635 ( 0.877 1.930 0.000) 2.120 10.726 ( -1.136 4.728 0.000) 4.862 10.891 ( -3.360 -16.019 0.000) 16.368 11.132 ( -0.550 -8.875 0.000) 8.892 11.591 ( -7.652 8.262 0.000) 11.261 12.048 ( -8.407 16.109 0.000) 18.171 12.256 ( 8.661 4.762 0.000) 9.884 12.270 ( 11.890 2.741 0.000) 12.202 12.691 ( 1.915 -4.962 0.000) 5.319 12.882 ( -0.890 -3.277 0.000) 3.396 12.932 ( 16.390 4.730 0.000) 17.059 13.145 ( 2.241 6.143 0.000) 6.539 13.308 ( 9.643 7.092 0.000) 11.970 13.847 ( 0.287 -10.282 0.000) 10.286 14.025 ( -1.289 -4.438 0.000) 4.621 14.147 ( -1.357 -6.683 0.000) 6.819 14.170 ( 19.530 1.851 0.000) 19.618 14.339 ( -1.925 -8.457 0.000) 8.673 14.374 ( 11.993 1.719 0.000) 12.116 14.967 ( -1.267 16.805 0.000) 16.853 15.476 ( -4.957 1.103 0.000) 5.079 15.957 ( -3.978 1.988 0.000) 4.448 15.999 ( 19.088 9.790 0.000) 21.453 16.192 ( -7.857 -2.244 0.000) 8.171 16.234 ( -31.086 -3.936 0.000) 31.334 17.421 ( 22.783 -7.225 0.000) 23.901 17.742 ( -8.052 -0.421 0.000) 8.063 17.971 ( -9.252 7.279 0.000) 11.772 18.216 ( 0.071 -15.796 0.000) 15.796 18.570 ( -6.904 -7.894 0.000) 10.487 18.807 ( 11.360 -28.137 0.000) 30.344 19.203 ( -2.091 -20.825 0.000) 20.930 19.253 ( -10.451 -4.660 0.000) 11.443 20.482 ( 10.377 24.857 0.000) 26.936 20.830 ( 5.269 15.365 0.000) 16.243 21.557 ( 0.909 1.548 0.000) 1.795 22.184 ( -12.367 7.298 0.000) 14.359 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 33.879 18.563 0.000) 38.631 2.033 ( 40.724 -1.431 0.000) 40.749 3.306 ( 38.777 40.544 0.000) 56.102 3.966 ( 3.833 -4.166 0.000) 5.661 4.379 ( 3.268 -7.967 0.000) 8.611 4.633 ( 2.974 -5.631 0.000) 6.369 4.801 ( -3.009 -5.586 0.000) 6.345 4.969 ( -6.945 2.423 0.000) 7.356 5.280 ( -10.035 -5.513 0.000) 11.449 5.530 ( -3.671 -4.863 0.000) 6.093 5.826 ( -17.384 -1.305 0.000) 17.433 5.941 ( -22.411 0.433 0.000) 22.415 7.011 ( -3.375 21.916 0.000) 22.174 7.243 ( 4.235 2.341 0.000) 4.839 7.343 ( 15.552 0.548 0.000) 15.561 7.877 ( 11.838 -5.978 0.000) 13.262 8.103 ( 2.600 -0.623 0.000) 2.673 8.494 ( -1.501 -9.318 0.000) 9.438 8.807 ( 7.914 3.563 0.000) 8.680 8.873 ( 32.053 -1.822 0.000) 32.105 9.656 ( -23.582 -0.994 0.000) 23.603 9.891 ( -1.085 -8.581 0.000) 8.649 10.585 ( -10.728 4.300 0.000) 11.558 10.593 ( 2.384 -5.789 0.000) 6.261 10.688 ( 2.968 6.036 0.000) 6.726 10.811 ( -1.005 -8.176 0.000) 8.238 11.015 ( -10.369 0.243 0.000) 10.371 11.523 ( 0.143 0.313 0.000) 0.344 11.827 ( -11.224 17.567 0.000) 20.846 12.306 ( -7.083 6.058 0.000) 9.320 12.584 ( 17.760 1.332 0.000) 17.810 12.812 ( 9.581 -10.239 0.000) 14.023 12.920 ( 6.162 -5.649 0.000) 8.360 13.209 ( 4.418 7.387 0.000) 8.607 13.225 ( 8.827 8.068 0.000) 11.959 13.573 ( 16.889 10.323 0.000) 19.794 13.801 ( -3.582 -6.800 0.000) 7.685 13.897 ( -10.122 -2.664 0.000) 10.467 14.171 ( 3.365 -9.551 0.000) 10.126 14.339 ( 1.579 -9.862 0.000) 9.987 14.678 ( 26.552 4.541 0.000) 26.937 14.708 ( 19.489 2.480 0.000) 19.646 14.974 ( 2.052 21.757 0.000) 21.853 15.317 ( -14.562 -6.054 0.000) 15.770 15.656 ( -19.061 3.564 0.000) 19.392 15.717 ( -16.738 1.550 0.000) 16.810 16.173 ( 5.270 -6.430 0.000) 8.314 16.466 ( 24.901 5.798 0.000) 25.567 17.358 ( -23.637 3.788 0.000) 23.939 17.808 ( 13.587 -7.517 0.000) 15.528 17.923 ( 1.385 4.789 0.000) 4.985 18.109 ( -13.128 1.189 0.000) 13.182 18.463 ( -0.225 -24.081 0.000) 24.082 18.902 ( -1.575 -28.564 0.000) 28.607 18.946 ( -18.483 -4.264 0.000) 18.969 19.070 ( -9.755 -14.916 0.000) 17.823 20.769 ( 15.852 17.638 0.000) 23.715 20.979 ( 8.641 13.865 0.000) 16.337 21.576 ( 0.686 2.226 0.000) 2.329 21.980 ( -8.319 7.388 0.000) 11.126 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 31.895 9.004 0.000) 33.141 2.830 ( 34.392 -13.162 0.000) 36.824 3.876 ( 17.423 24.467 0.000) 30.037 4.038 ( 2.180 -6.552 0.000) 6.905 4.316 ( -9.119 1.824 0.000) 9.300 4.657 ( -2.105 -6.273 0.000) 6.617 4.812 ( -7.875 -7.625 0.000) 10.961 4.816 ( 1.028 -18.768 0.000) 18.796 5.116 ( -3.957 0.367 0.000) 3.974 5.433 ( -5.405 -3.668 0.000) 6.532 5.471 ( -14.624 3.422 0.000) 15.019 5.543 ( -14.899 6.449 0.000) 16.235 7.003 ( 2.661 15.696 0.000) 15.920 7.300 ( 0.595 5.204 0.000) 5.238 7.692 ( 16.946 -0.856 0.000) 16.968 8.057 ( 7.600 -2.237 0.000) 7.923 8.256 ( 10.656 2.771 0.000) 11.010 8.562 ( 8.703 -1.675 0.000) 8.862 8.952 ( 1.264 -2.569 0.000) 2.863 9.209 ( -14.211 3.232 0.000) 14.574 9.525 ( 20.488 -13.082 0.000) 24.308 9.962 ( 15.194 2.152 0.000) 15.346 10.266 ( -19.469 7.007 0.000) 20.691 10.501 ( -6.739 -3.261 0.000) 7.487 10.708 ( -7.912 0.996 0.000) 7.974 10.850 ( 2.316 6.745 0.000) 7.131 10.915 ( 7.872 -5.877 0.000) 9.823 11.483 ( -6.331 1.843 0.000) 6.594 11.607 ( -9.557 17.187 0.000) 19.665 12.002 ( -18.963 4.526 0.000) 19.496 12.952 ( 14.309 -3.141 0.000) 14.650 13.039 ( 2.870 -9.143 0.000) 9.582 13.084 ( 17.489 -13.642 0.000) 22.180 13.351 ( 5.154 10.390 0.000) 11.598 13.370 ( 9.199 5.389 0.000) 10.661 13.617 ( -6.189 -6.887 0.000) 9.260 13.705 ( -5.156 2.020 0.000) 5.538 14.069 ( 22.257 16.382 0.000) 27.636 14.213 ( -0.285 -15.643 0.000) 15.646 14.405 ( 3.606 -7.333 0.000) 8.172 14.774 ( -22.872 0.031 0.000) 22.872 14.918 ( 1.625 6.134 0.000) 6.345 15.080 ( -2.625 20.815 0.000) 20.979 15.277 ( -8.878 -5.582 0.000) 10.487 15.414 ( 24.444 4.452 0.000) 24.846 15.535 ( 5.205 4.416 0.000) 6.826 16.424 ( 15.537 -8.476 0.000) 17.698 16.882 ( -17.443 9.090 0.000) 19.669 17.010 ( 26.549 1.305 0.000) 26.581 17.641 ( -26.840 2.661 0.000) 26.972 17.971 ( 2.704 0.882 0.000) 2.844 18.039 ( 5.505 -5.200 0.000) 7.572 18.427 ( -17.677 -11.651 0.000) 21.171 18.601 ( -1.276 -18.647 0.000) 18.690 18.679 ( -18.122 -14.330 0.000) 23.103 18.927 ( -4.359 -21.759 0.000) 22.191 21.094 ( 14.436 11.721 0.000) 18.595 21.179 ( 10.332 11.958 0.000) 15.803 21.573 ( -1.309 3.402 0.000) 3.645 21.807 ( -8.571 7.093 0.000) 11.126 ======================= Grid point 13 (10/120) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.264 ( 24.001 1.061 0.000) 24.024 3.408 ( 17.201 -14.784 0.000) 22.681 3.933 ( -9.251 6.236 0.000) 11.156 3.993 ( -7.892 -5.640 0.000) 9.700 4.304 ( 10.568 11.191 0.000) 15.393 4.522 ( -9.294 0.580 0.000) 9.312 4.692 ( -2.062 -17.424 0.000) 17.545 4.746 ( -5.631 -22.658 0.000) 23.347 5.134 ( 4.675 0.828 0.000) 4.748 5.280 ( -8.882 -0.831 0.000) 8.921 5.291 ( -2.214 5.351 0.000) 5.791 5.338 ( -5.379 5.542 0.000) 7.724 7.110 ( 6.905 13.581 0.000) 15.235 7.250 ( -5.313 9.625 0.000) 10.994 8.010 ( 12.530 -2.423 0.000) 12.762 8.162 ( -0.744 -2.621 0.000) 2.724 8.468 ( 10.003 1.279 0.000) 10.084 8.715 ( -14.281 -0.568 0.000) 14.292 8.898 ( 21.976 6.398 0.000) 22.889 9.184 ( -0.767 2.033 0.000) 2.173 9.632 ( -0.122 -9.415 0.000) 9.416 9.816 ( -20.229 4.378 0.000) 20.697 10.415 ( 0.258 0.466 0.000) 0.532 10.505 ( -8.144 2.211 0.000) 8.438 10.575 ( 32.805 5.018 0.000) 33.186 10.977 ( 5.295 1.955 0.000) 5.645 11.057 ( 3.626 -6.675 0.000) 7.596 11.197 ( -20.626 4.804 0.000) 21.177 11.468 ( -1.368 16.260 0.000) 16.317 11.626 ( -14.939 6.506 0.000) 16.294 13.079 ( 2.157 -13.523 0.000) 13.694 13.110 ( 1.308 -15.390 0.000) 15.445 13.372 ( 2.444 1.989 0.000) 3.151 13.415 ( -2.455 1.722 0.000) 2.999 13.576 ( 20.263 -7.093 0.000) 21.468 13.607 ( 8.521 5.867 0.000) 10.346 13.719 ( -0.806 4.872 0.000) 4.938 14.098 ( -24.390 -6.668 0.000) 25.285 14.302 ( 10.302 -9.100 0.000) 13.745 14.480 ( 12.079 14.308 0.000) 18.724 14.692 ( 9.483 0.324 0.000) 9.489 14.762 ( -11.727 1.111 0.000) 11.779 14.914 ( -12.426 16.490 0.000) 20.647 14.925 ( -12.495 -2.411 0.000) 12.725 15.811 ( 18.749 8.095 0.000) 20.422 16.149 ( 20.070 6.835 0.000) 21.202 16.301 ( -2.701 1.885 0.000) 3.294 16.985 ( -35.122 3.090 0.000) 35.257 17.130 ( 29.023 -0.564 0.000) 29.028 17.502 ( 13.165 -0.238 0.000) 13.167 17.911 ( -17.652 -8.251 0.000) 19.485 17.995 ( -3.210 -5.517 0.000) 6.383 18.129 ( 1.084 -4.337 0.000) 4.471 18.272 ( -17.225 -6.361 0.000) 18.362 18.704 ( 6.244 -23.200 0.000) 24.026 18.827 ( -5.401 -22.795 0.000) 23.426 21.350 ( 9.889 7.728 0.000) 12.551 21.398 ( 10.251 9.698 0.000) 14.111 21.510 ( -4.737 5.373 0.000) 7.163 21.616 ( -9.707 8.178 0.000) 12.693 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 0.000 45.051 0.000) 45.051 2.012 ( 0.000 47.891 0.000) 47.891 3.037 ( 0.000 70.422 0.000) 70.422 3.778 ( 0.000 -13.157 0.000) 13.157 4.050 ( 0.000 -18.919 0.000) 18.919 4.530 ( 0.000 4.917 0.000) 4.917 4.886 ( 0.000 -0.336 0.000) 0.336 5.249 ( 0.000 -0.730 0.000) 0.730 5.410 ( 0.000 -1.613 0.000) 1.613 5.502 ( 0.000 -4.794 0.000) 4.794 6.068 ( 0.000 -11.242 0.000) 11.242 6.332 ( 0.000 -22.057 0.000) 22.057 7.009 ( 0.000 2.924 0.000) 2.924 7.130 ( 0.000 -0.010 0.000) 0.010 7.369 ( 0.000 -4.007 0.000) 4.007 7.480 ( 0.000 -7.655 0.000) 7.655 7.989 ( 0.000 7.005 0.000) 7.005 8.158 ( 0.000 -1.433 0.000) 1.433 8.822 ( 0.000 4.064 0.000) 4.064 8.845 ( 0.000 14.684 0.000) 14.684 9.596 ( 0.000 -23.771 0.000) 23.771 10.167 ( 0.000 -26.064 0.000) 26.064 10.412 ( 0.000 8.944 0.000) 8.944 10.558 ( 0.000 9.811 0.000) 9.811 10.711 ( 0.000 -5.950 0.000) 5.950 10.979 ( 0.000 -6.484 0.000) 6.484 11.067 ( 0.000 23.848 0.000) 23.848 11.909 ( 0.000 4.249 0.000) 4.249 12.168 ( 0.000 4.932 0.000) 4.932 12.204 ( 0.000 3.783 0.000) 3.783 12.315 ( 0.000 7.266 0.000) 7.266 12.719 ( 0.000 3.098 0.000) 3.098 12.774 ( 0.000 2.691 0.000) 2.691 12.796 ( 0.000 -7.525 0.000) 7.525 13.213 ( 0.000 4.265 0.000) 4.265 13.272 ( 0.000 9.540 0.000) 9.540 13.651 ( 0.000 -10.252 0.000) 10.252 13.883 ( 0.000 -9.031 0.000) 9.031 14.026 ( 0.000 -7.698 0.000) 7.698 14.039 ( 0.000 6.379 0.000) 6.379 14.190 ( 0.000 -10.258 0.000) 10.258 14.279 ( 0.000 0.892 0.000) 0.892 15.367 ( 0.000 25.345 0.000) 25.345 15.806 ( 0.000 14.676 0.000) 14.676 15.906 ( 0.000 9.339 0.000) 9.339 15.943 ( 0.000 0.246 0.000) 0.246 16.239 ( 0.000 -7.781 0.000) 7.781 16.681 ( 0.000 -8.518 0.000) 8.518 16.738 ( 0.000 -11.732 0.000) 11.732 17.616 ( 0.000 -37.024 0.000) 37.024 17.880 ( 0.000 8.301 0.000) 8.301 18.217 ( 0.000 4.713 0.000) 4.713 18.466 ( 0.000 -5.882 0.000) 5.882 18.693 ( 0.000 6.443 0.000) 6.443 18.773 ( 0.000 -19.427 0.000) 19.427 19.229 ( 0.000 -8.544 0.000) 8.544 20.922 ( 0.000 27.878 0.000) 27.878 21.105 ( 0.000 16.420 0.000) 16.420 21.563 ( 0.000 -0.096 0.000) 0.096 22.206 ( 0.000 -14.053 0.000) 14.053 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 4.761 44.314 0.000) 44.568 2.041 ( 14.371 39.270 0.000) 41.817 3.460 ( 32.340 56.465 0.000) 65.070 3.788 ( 0.935 -12.787 0.000) 12.821 4.041 ( -0.080 -19.485 0.000) 19.486 4.530 ( 0.059 2.434 0.000) 2.435 4.848 ( -4.134 -1.736 0.000) 4.484 5.157 ( -8.697 -4.676 0.000) 9.874 5.367 ( -3.694 2.268 0.000) 4.334 5.486 ( -1.333 -4.135 0.000) 4.345 5.987 ( -7.655 -9.450 0.000) 12.161 6.200 ( -11.425 -14.728 0.000) 18.640 7.102 ( 8.553 2.226 0.000) 8.838 7.182 ( 4.697 0.682 0.000) 4.746 7.461 ( 10.762 -0.385 0.000) 10.769 7.707 ( 8.183 -4.422 0.000) 9.302 7.817 ( -4.228 8.553 0.000) 9.541 8.230 ( 4.828 -4.685 0.000) 6.727 8.696 ( -5.832 5.625 0.000) 8.103 8.865 ( 1.890 13.015 0.000) 13.152 9.581 ( -1.023 -23.592 0.000) 23.615 9.948 ( -16.720 -16.533 0.000) 23.514 10.453 ( 3.562 3.796 0.000) 5.206 10.662 ( 5.367 4.278 0.000) 6.863 10.697 ( -1.117 -5.411 0.000) 5.525 10.953 ( -3.321 0.149 0.000) 3.324 11.063 ( 0.746 15.016 0.000) 15.035 11.701 ( -12.244 3.218 0.000) 12.660 12.222 ( 1.096 4.025 0.000) 4.172 12.373 ( 11.778 6.337 0.000) 13.374 12.374 ( 4.875 3.837 0.000) 6.204 12.672 ( -2.628 5.061 0.000) 5.703 12.796 ( -0.789 -5.730 0.000) 5.784 13.018 ( 18.170 3.257 0.000) 18.460 13.301 ( 2.598 9.594 0.000) 9.939 13.416 ( 16.732 3.846 0.000) 17.169 13.641 ( -0.393 -9.894 0.000) 9.902 13.888 ( 0.038 -8.982 0.000) 8.982 13.994 ( -3.154 -8.263 0.000) 8.845 14.150 ( -2.586 -10.527 0.000) 10.840 14.247 ( 17.821 5.390 0.000) 18.618 14.414 ( 13.281 1.537 0.000) 13.370 15.388 ( 1.309 23.613 0.000) 23.649 15.565 ( -11.265 10.703 0.000) 15.539 15.953 ( -0.113 -1.331 0.000) 1.336 16.028 ( -15.014 -7.780 0.000) 16.910 16.112 ( -10.796 -5.570 0.000) 12.148 16.329 ( 6.154 14.525 0.000) 15.775 17.220 ( 22.098 -13.468 0.000) 25.879 17.647 ( 2.948 -36.859 0.000) 36.977 17.803 ( -10.267 6.042 0.000) 11.913 18.104 ( -5.445 6.299 0.000) 8.326 18.427 ( -3.409 -13.282 0.000) 13.712 18.591 ( -9.704 6.380 0.000) 11.614 18.812 ( 1.093 -18.378 0.000) 18.410 19.123 ( -10.049 -8.359 0.000) 13.071 20.989 ( 6.266 26.250 0.000) 26.988 21.150 ( 4.156 15.827 0.000) 16.364 21.580 ( 1.483 0.283 0.000) 1.510 22.146 ( -4.926 -9.235 0.000) 10.467 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 20.026 24.841 0.000) 31.908 2.432 ( 21.942 27.351 0.000) 35.065 3.817 ( 1.809 -12.250 0.000) 12.383 3.983 ( 7.696 6.987 0.000) 10.395 4.185 ( 19.308 5.576 0.000) 20.097 4.531 ( -0.128 -3.040 0.000) 3.043 4.697 ( -10.434 -4.140 0.000) 11.225 4.913 ( -13.751 -8.959 0.000) 16.412 5.276 ( -4.609 6.230 0.000) 7.750 5.457 ( -1.223 -0.377 0.000) 1.280 5.764 ( -12.939 -5.253 0.000) 13.965 5.918 ( -14.298 -3.155 0.000) 14.642 7.295 ( 6.890 2.675 0.000) 7.391 7.355 ( 13.682 0.566 0.000) 13.694 7.486 ( -9.582 23.529 0.000) 25.405 7.772 ( 14.013 -3.090 0.000) 14.350 8.075 ( 12.703 -2.058 0.000) 12.869 8.338 ( 5.721 -6.402 0.000) 8.586 8.841 ( 20.892 -0.755 0.000) 20.906 8.918 ( 2.893 7.901 0.000) 8.414 9.558 ( -19.522 -8.998 0.000) 21.496 9.593 ( 3.605 -21.358 0.000) 21.660 10.507 ( 0.102 -1.399 0.000) 1.403 10.697 ( 2.346 -4.689 0.000) 5.243 10.699 ( -3.455 5.605 0.000) 6.585 10.849 ( -4.333 7.653 0.000) 8.795 11.059 ( -3.564 7.167 0.000) 8.004 11.531 ( -2.763 0.566 0.000) 2.821 12.144 ( -7.738 13.850 0.000) 15.865 12.461 ( -7.652 8.837 0.000) 11.689 12.579 ( 12.561 -4.776 0.000) 13.438 12.702 ( 7.150 2.819 0.000) 7.685 12.803 ( 3.703 -6.075 0.000) 7.114 13.331 ( 9.025 -3.156 0.000) 9.561 13.377 ( 4.930 9.540 0.000) 10.738 13.602 ( 0.431 2.606 0.000) 2.642 13.812 ( -7.851 -5.946 0.000) 9.849 13.855 ( 21.649 6.618 0.000) 22.638 13.944 ( -0.324 -11.825 0.000) 11.829 14.151 ( 2.876 -10.505 0.000) 10.892 14.723 ( 25.776 2.186 0.000) 25.869 14.793 ( 21.223 3.407 0.000) 21.494 15.233 ( -17.272 1.601 0.000) 17.346 15.508 ( 2.687 26.725 0.000) 26.859 15.626 ( -11.987 -3.404 0.000) 12.461 15.746 ( -18.493 1.454 0.000) 18.550 16.029 ( 4.068 -7.646 0.000) 8.661 16.665 ( 19.172 13.981 0.000) 23.729 17.462 ( -19.646 6.995 0.000) 20.854 17.607 ( 14.089 -12.865 0.000) 19.079 17.739 ( 6.105 -36.462 0.000) 36.969 18.049 ( -1.687 8.003 0.000) 8.179 18.296 ( -18.083 5.939 0.000) 19.033 18.345 ( -4.152 -26.243 0.000) 26.570 18.754 ( -6.826 -16.311 0.000) 17.682 18.820 ( -18.741 -8.241 0.000) 20.473 21.165 ( 9.886 21.524 0.000) 23.685 21.268 ( 6.902 14.286 0.000) 15.866 21.617 ( 1.838 1.411 0.000) 2.317 22.031 ( -5.794 -2.905 0.000) 6.481 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( 24.494 6.785 0.000) 25.416 2.907 ( 22.448 15.328 0.000) 27.182 3.861 ( 2.310 -11.799 0.000) 12.023 4.092 ( 5.166 -10.598 0.000) 11.790 4.401 ( -8.923 2.363 0.000) 9.230 4.459 ( -2.941 -6.027 0.000) 6.706 4.488 ( -6.537 -8.372 0.000) 10.622 4.642 ( -9.456 -9.450 0.000) 13.368 5.192 ( -2.981 6.382 0.000) 7.044 5.411 ( -4.476 2.874 0.000) 5.319 5.498 ( -10.994 -0.915 0.000) 11.032 5.642 ( -11.709 3.026 0.000) 12.094 7.382 ( -0.207 21.362 0.000) 21.363 7.419 ( 4.679 6.454 0.000) 7.972 7.666 ( 14.995 -1.879 0.000) 15.113 8.024 ( 8.541 -1.468 0.000) 8.666 8.321 ( 10.795 4.169 0.000) 11.572 8.563 ( 18.071 1.992 0.000) 18.181 8.940 ( -3.771 1.391 0.000) 4.020 9.204 ( -10.841 -3.492 0.000) 11.390 9.284 ( 14.099 -10.244 0.000) 17.428 9.864 ( 25.957 -12.749 0.000) 28.919 10.473 ( -1.512 1.231 0.000) 1.950 10.479 ( -16.242 13.195 0.000) 20.927 10.764 ( -7.850 4.401 0.000) 9.000 10.793 ( 5.966 -6.720 0.000) 8.986 10.976 ( -0.608 6.349 0.000) 6.378 11.506 ( -3.492 -0.179 0.000) 3.496 11.965 ( -8.496 18.343 0.000) 20.215 12.141 ( -18.766 9.506 0.000) 21.036 12.770 ( 5.426 -12.307 0.000) 13.450 12.840 ( -2.009 -11.093 0.000) 11.274 12.985 ( 17.369 0.902 0.000) 17.393 13.424 ( 2.762 -10.568 0.000) 10.923 13.487 ( 2.888 6.190 0.000) 6.831 13.632 ( 2.592 16.348 0.000) 16.552 13.721 ( 1.902 0.255 0.000) 1.919 13.928 ( 0.358 -12.524 0.000) 12.529 14.220 ( 0.869 -11.313 0.000) 11.347 14.329 ( 22.312 7.377 0.000) 23.499 14.836 ( -15.796 6.601 0.000) 17.120 15.025 ( 3.485 3.488 0.000) 4.931 15.161 ( -12.226 -4.728 0.000) 13.108 15.365 ( -9.277 1.207 0.000) 9.355 15.559 ( 24.412 11.027 0.000) 26.787 15.747 ( 13.283 23.739 0.000) 27.203 16.263 ( 17.943 -8.230 0.000) 19.741 17.064 ( -16.338 9.788 0.000) 19.045 17.078 ( 20.081 5.655 0.000) 20.862 17.674 ( -17.210 -2.324 0.000) 17.366 17.858 ( 3.350 -22.426 0.000) 22.675 17.989 ( -4.767 -1.096 0.000) 4.892 18.007 ( 1.252 -13.400 0.000) 13.458 18.255 ( -4.664 -24.605 0.000) 25.044 18.359 ( -24.418 -9.464 0.000) 26.188 18.552 ( -11.525 -15.321 0.000) 19.172 21.371 ( 9.323 15.587 0.000) 18.163 21.427 ( 8.086 12.006 0.000) 14.475 21.645 ( 0.528 3.334 0.000) 3.375 21.905 ( -6.376 1.682 0.000) 6.594 ======================= Grid point 22 (15/120) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.228 ( 17.448 -2.614 0.000) 17.643 3.301 ( 12.016 3.248 0.000) 12.447 3.900 ( 1.539 -5.553 0.000) 5.762 4.048 ( -12.262 6.130 0.000) 13.708 4.236 ( 0.502 -27.117 0.000) 27.122 4.288 ( -7.317 -14.783 0.000) 16.495 4.444 ( 0.982 0.291 0.000) 1.024 4.524 ( -4.857 -6.529 0.000) 8.137 5.176 ( 1.987 4.346 0.000) 4.779 5.276 ( -6.945 2.951 0.000) 7.546 5.366 ( -1.044 1.720 0.000) 2.012 5.440 ( -7.318 3.184 0.000) 7.980 7.428 ( 3.207 17.478 0.000) 17.770 7.470 ( -0.068 11.901 0.000) 11.901 7.944 ( 10.889 -4.364 0.000) 11.731 8.088 ( -2.296 -5.072 0.000) 5.567 8.521 ( 9.003 4.640 0.000) 10.128 8.731 ( -11.665 2.710 0.000) 11.976 9.007 ( 17.043 0.435 0.000) 17.049 9.143 ( -0.302 -6.280 0.000) 6.287 9.526 ( 16.552 3.525 0.000) 16.923 10.032 ( -26.157 17.280 0.000) 31.349 10.408 ( 10.098 -3.010 0.000) 10.537 10.566 ( -8.934 3.760 0.000) 9.693 10.622 ( 27.110 0.132 0.000) 27.110 10.925 ( 6.574 -7.142 0.000) 9.707 10.978 ( -2.064 -1.835 0.000) 2.762 11.250 ( -21.965 -1.176 0.000) 21.996 11.820 ( -4.509 19.080 0.000) 19.605 11.835 ( -7.681 14.583 0.000) 16.482 12.791 ( -0.667 -15.493 0.000) 15.507 12.809 ( -0.972 -15.441 0.000) 15.472 13.339 ( 14.948 -3.468 0.000) 15.345 13.492 ( -1.235 4.712 0.000) 4.871 13.501 ( 4.033 -2.281 0.000) 4.633 13.655 ( -9.179 -5.889 0.000) 10.906 13.748 ( 10.319 10.252 0.000) 14.546 14.047 ( -15.424 -3.876 0.000) 15.903 14.174 ( 20.986 -3.196 0.000) 21.228 14.649 ( -15.281 -11.591 0.000) 19.180 14.744 ( 5.132 6.137 0.000) 8.000 14.777 ( 4.159 14.406 0.000) 14.995 14.973 ( -3.738 5.532 0.000) 6.676 15.141 ( -12.497 5.210 0.000) 13.540 16.074 ( 17.273 19.775 0.000) 26.256 16.299 ( 38.107 7.588 0.000) 38.855 16.412 ( -11.169 10.549 0.000) 15.363 17.072 ( -34.639 5.629 0.000) 35.093 17.089 ( 23.801 -3.998 0.000) 24.135 17.479 ( 16.431 -3.584 0.000) 16.818 17.708 ( -26.359 -11.697 0.000) 28.838 17.821 ( -11.915 -13.426 0.000) 17.951 18.007 ( 5.162 -9.019 0.000) 10.392 18.140 ( -6.399 -6.794 0.000) 9.332 18.175 ( 6.136 -26.077 0.000) 26.789 18.328 ( -8.917 -23.713 0.000) 25.334 21.535 ( 6.096 10.311 0.000) 11.978 21.591 ( 6.099 8.789 0.000) 10.698 21.634 ( -0.405 6.479 0.000) 6.492 21.763 ( -7.268 5.543 0.000) 9.141 ======================= Grid point 27 (16/120) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 0.000 38.550 0.000) 38.550 2.873 ( 0.000 40.374 0.000) 40.374 3.358 ( 0.000 -28.863 0.000) 28.863 3.559 ( 0.000 -29.660 0.000) 29.660 4.246 ( 0.000 48.677 0.000) 48.677 4.732 ( 0.000 14.284 0.000) 14.284 4.811 ( 0.000 -10.833 0.000) 10.833 5.031 ( 0.000 -15.412 0.000) 15.412 5.477 ( 0.000 5.080 0.000) 5.080 5.576 ( 0.000 12.479 0.000) 12.479 5.818 ( 0.000 -27.853 0.000) 27.853 5.828 ( 0.000 -13.072 0.000) 13.072 7.068 ( 0.000 2.911 0.000) 2.911 7.114 ( 0.000 -1.687 0.000) 1.687 7.325 ( 0.000 -0.297 0.000) 0.297 7.362 ( 0.000 -4.134 0.000) 4.134 8.089 ( 0.000 3.300 0.000) 3.300 8.130 ( 0.000 -1.416 0.000) 1.416 8.936 ( 0.000 8.274 0.000) 8.274 9.178 ( 0.000 -17.447 0.000) 17.447 9.197 ( 0.000 21.393 0.000) 21.393 9.658 ( 0.000 -25.629 0.000) 25.629 10.554 ( 0.000 5.525 0.000) 5.525 10.634 ( 0.000 -3.192 0.000) 3.192 10.726 ( 0.000 7.485 0.000) 7.485 10.857 ( 0.000 -6.305 0.000) 6.305 11.541 ( 0.000 22.557 0.000) 22.557 11.862 ( 0.000 -9.549 0.000) 9.549 12.287 ( 0.000 4.404 0.000) 4.404 12.326 ( 0.000 11.430 0.000) 11.430 12.355 ( 0.000 -1.867 0.000) 1.867 12.586 ( 0.000 -13.692 0.000) 13.692 12.796 ( 0.000 3.371 0.000) 3.371 12.817 ( 0.000 1.116 0.000) 1.116 13.311 ( 0.000 6.153 0.000) 6.153 13.460 ( 0.000 -9.103 0.000) 9.103 13.476 ( 0.000 11.196 0.000) 11.196 13.692 ( 0.000 -10.647 0.000) 10.647 13.932 ( 0.000 -0.574 0.000) 0.574 14.009 ( 0.000 -7.619 0.000) 7.619 14.165 ( 0.000 6.093 0.000) 6.093 14.257 ( 0.000 -3.115 0.000) 3.115 15.889 ( 0.000 23.255 0.000) 23.255 15.979 ( 0.000 3.709 0.000) 3.709 16.057 ( 0.000 3.967 0.000) 3.967 16.088 ( 0.000 -7.204 0.000) 7.204 16.141 ( 0.000 21.028 0.000) 21.028 16.487 ( 0.000 -13.326 0.000) 13.326 16.545 ( 0.000 -2.499 0.000) 2.499 16.884 ( 0.000 -35.472 0.000) 35.472 18.071 ( 0.000 11.226 0.000) 11.226 18.300 ( 0.000 -11.373 0.000) 11.373 18.326 ( 0.000 6.498 0.000) 6.498 18.480 ( 0.000 -10.417 0.000) 10.417 18.853 ( 0.000 9.502 0.000) 9.502 19.046 ( 0.000 -10.017 0.000) 10.017 21.373 ( 0.000 10.863 0.000) 10.863 21.436 ( 0.000 24.812 0.000) 24.812 21.522 ( 0.000 -4.612 0.000) 4.612 21.874 ( 0.000 -20.049 0.000) 20.049 ======================= Grid point 28 (17/120) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( 7.171 35.558 0.000) 36.274 2.845 ( -1.155 40.623 0.000) 40.639 3.391 ( 3.026 -27.125 0.000) 27.294 3.547 ( -0.913 -31.149 0.000) 31.162 4.388 ( 10.372 35.103 0.000) 36.603 4.678 ( -4.839 11.633 0.000) 12.599 4.773 ( -3.906 -8.045 0.000) 8.943 4.936 ( -8.530 -13.971 0.000) 16.369 5.505 ( 2.907 8.821 0.000) 9.287 5.541 ( -3.259 11.871 0.000) 12.310 5.777 ( -4.964 -11.881 0.000) 12.877 5.839 ( 0.825 -21.452 0.000) 21.467 7.147 ( 7.304 2.199 0.000) 7.628 7.180 ( 5.998 -0.963 0.000) 6.075 7.451 ( 12.430 1.519 0.000) 12.523 7.541 ( 15.102 -7.535 0.000) 16.877 8.034 ( -3.919 8.461 0.000) 9.325 8.148 ( 1.349 -4.201 0.000) 4.412 8.853 ( -4.862 10.744 0.000) 11.793 9.141 ( -2.320 -19.481 0.000) 19.619 9.174 ( -2.212 18.578 0.000) 18.709 9.566 ( -8.383 -21.042 0.000) 22.650 10.540 ( -0.734 4.584 0.000) 4.642 10.619 ( -1.154 -3.596 0.000) 3.777 10.762 ( 2.672 5.249 0.000) 5.890 10.862 ( 0.607 -5.227 0.000) 5.262 11.462 ( -6.292 18.902 0.000) 19.922 11.698 ( -11.119 -4.967 0.000) 12.178 12.291 ( 2.494 3.587 0.000) 4.369 12.361 ( 2.287 -3.181 0.000) 3.917 12.492 ( 11.064 6.743 0.000) 12.956 12.652 ( 4.249 -8.877 0.000) 9.841 12.853 ( 0.840 10.755 0.000) 10.788 13.015 ( 11.379 -4.548 0.000) 12.255 13.460 ( 15.811 1.190 0.000) 15.856 13.499 ( 7.240 -4.069 0.000) 8.306 13.503 ( 2.259 10.846 0.000) 11.079 13.707 ( 0.783 -9.810 0.000) 9.841 13.881 ( -4.277 -1.432 0.000) 4.510 13.958 ( -3.743 -8.226 0.000) 9.037 14.352 ( 16.307 4.805 0.000) 17.000 14.416 ( 14.596 -1.569 0.000) 14.680 15.655 ( -16.476 9.546 0.000) 19.042 15.844 ( -20.493 -9.888 0.000) 22.754 15.944 ( -3.164 1.064 0.000) 3.338 16.003 ( -7.741 -4.897 0.000) 9.160 16.086 ( 2.730 35.878 0.000) 35.982 16.647 ( 15.093 17.141 0.000) 22.838 16.812 ( 10.371 -34.678 0.000) 36.196 17.001 ( 13.232 -21.687 0.000) 25.405 17.954 ( -11.831 9.077 0.000) 14.911 18.130 ( -9.116 -7.236 0.000) 11.639 18.319 ( -3.947 5.374 0.000) 6.667 18.509 ( 0.724 -12.848 0.000) 12.868 18.751 ( -9.740 9.462 0.000) 13.579 18.942 ( -9.852 -9.917 0.000) 13.979 21.407 ( 3.166 10.348 0.000) 10.821 21.474 ( 3.403 23.264 0.000) 23.512 21.547 ( 2.269 -4.150 0.000) 4.730 21.876 ( 0.152 -17.816 0.000) 17.816 ======================= Grid point 29 (18/120) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( 5.444 34.607 0.000) 35.033 2.979 ( 11.785 27.860 0.000) 30.250 3.476 ( 4.844 -22.453 0.000) 22.969 3.543 ( 1.201 -31.840 0.000) 31.863 4.534 ( 1.923 11.096 0.000) 11.262 4.553 ( -6.628 5.170 0.000) 8.406 4.640 ( -8.839 -2.529 0.000) 9.193 4.710 ( -12.241 -10.274 0.000) 15.981 5.445 ( -5.678 9.778 0.000) 11.307 5.576 ( 2.161 11.747 0.000) 11.945 5.627 ( -8.907 -8.571 0.000) 12.361 5.801 ( -4.965 -9.287 0.000) 10.531 7.338 ( 9.490 1.714 0.000) 9.644 7.359 ( 11.516 -0.368 0.000) 11.522 7.764 ( 10.904 4.691 0.000) 11.871 7.813 ( 5.581 3.330 0.000) 6.499 8.082 ( 15.744 5.771 0.000) 16.768 8.224 ( 8.452 -6.292 0.000) 10.537 8.888 ( 10.252 7.109 0.000) 12.475 9.107 ( -4.102 11.322 0.000) 12.042 9.159 ( 6.287 -20.355 0.000) 21.303 9.342 ( -12.157 -12.348 0.000) 17.328 10.531 ( -0.304 3.168 0.000) 3.182 10.609 ( 0.757 -4.448 0.000) 4.512 10.792 ( -0.910 4.336 0.000) 4.430 10.868 ( -0.814 -3.103 0.000) 3.208 11.322 ( -6.893 14.780 0.000) 16.308 11.512 ( -5.456 -4.239 0.000) 6.909 12.347 ( 0.651 7.447 0.000) 7.476 12.467 ( 6.149 -5.699 0.000) 8.384 12.608 ( -5.024 5.784 0.000) 7.661 12.699 ( 1.109 -4.505 0.000) 4.640 12.864 ( 3.757 12.057 0.000) 12.629 13.125 ( 1.892 -13.780 0.000) 13.910 13.554 ( 2.562 7.762 0.000) 8.174 13.686 ( -2.268 -6.835 0.000) 7.201 13.765 ( 14.517 9.709 0.000) 17.465 13.799 ( -2.023 -0.019 0.000) 2.024 13.896 ( 21.878 -2.796 0.000) 22.056 13.935 ( 2.083 -10.936 0.000) 11.133 14.774 ( 21.973 2.814 0.000) 22.152 14.815 ( 21.549 -0.938 0.000) 21.569 15.306 ( -16.542 6.045 0.000) 17.612 15.454 ( -14.780 -8.647 0.000) 17.124 15.791 ( -10.146 3.723 0.000) 10.807 15.892 ( -0.311 -6.345 0.000) 6.353 16.184 ( 6.430 37.412 0.000) 37.961 16.884 ( 7.090 -15.947 0.000) 17.452 17.065 ( 15.689 -7.598 0.000) 17.432 17.324 ( 14.878 -15.943 0.000) 21.806 17.636 ( -16.897 11.320 0.000) 20.339 17.916 ( -11.739 -17.925 0.000) 21.426 18.230 ( -4.126 10.544 0.000) 11.323 18.454 ( -18.499 9.343 0.000) 20.725 18.462 ( -5.192 -13.521 0.000) 14.484 18.642 ( -18.732 -9.755 0.000) 21.120 21.497 ( 5.121 8.887 0.000) 10.257 21.564 ( 4.802 18.905 0.000) 19.505 21.609 ( 3.393 -2.795 0.000) 4.396 21.875 ( -0.399 -12.615 0.000) 12.621 ======================= Grid point 30 (19/120) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( 11.967 23.561 0.000) 26.426 3.236 ( 12.014 17.988 0.000) 21.631 3.580 ( 4.926 -16.780 0.000) 17.488 3.609 ( 4.882 -30.040 0.000) 30.434 4.402 ( -9.003 -0.078 0.000) 9.003 4.418 ( -11.809 3.358 0.000) 12.277 4.475 ( -8.518 -6.964 0.000) 11.002 4.480 ( -5.790 -1.703 0.000) 6.035 5.326 ( -4.964 6.821 0.000) 8.436 5.441 ( -7.752 -4.718 0.000) 9.075 5.532 ( -6.263 7.671 0.000) 9.903 5.644 ( -9.362 -3.028 0.000) 9.839 7.534 ( 8.796 5.140 0.000) 10.187 7.616 ( 12.239 -3.337 0.000) 12.685 7.756 ( -1.386 15.601 0.000) 15.663 7.962 ( 2.640 -6.052 0.000) 6.603 8.437 ( 14.108 7.832 0.000) 16.136 8.573 ( 20.264 -3.703 0.000) 20.600 9.000 ( -6.849 4.563 0.000) 8.229 9.105 ( -8.928 -5.870 0.000) 10.684 9.227 ( 20.908 7.174 0.000) 22.105 9.524 ( 29.521 -19.698 0.000) 35.489 10.541 ( 1.950 5.165 0.000) 5.521 10.659 ( 4.073 -6.792 0.000) 7.919 10.691 ( -8.747 8.073 0.000) 11.904 10.799 ( -6.461 -2.519 0.000) 6.934 11.174 ( -7.787 14.459 0.000) 16.423 11.427 ( -6.140 -9.106 0.000) 10.982 12.291 ( -5.038 14.913 0.000) 15.741 12.358 ( -14.752 12.549 0.000) 19.367 12.543 ( 0.527 -11.616 0.000) 11.628 12.609 ( -8.615 -12.724 0.000) 15.366 13.050 ( 12.585 5.903 0.000) 13.901 13.211 ( 7.447 -10.308 0.000) 12.716 13.588 ( 0.798 5.008 0.000) 5.072 13.723 ( -0.202 -8.504 0.000) 8.506 13.796 ( 6.629 7.625 0.000) 10.104 13.980 ( 5.743 18.299 0.000) 19.179 13.993 ( 2.236 -11.512 0.000) 11.727 14.285 ( 13.542 -11.142 0.000) 17.537 15.013 ( -9.972 11.039 0.000) 14.876 15.067 ( 2.663 2.391 0.000) 3.579 15.113 ( 0.421 -1.805 0.000) 1.854 15.235 ( -7.220 -10.896 0.000) 13.071 15.823 ( 20.938 14.763 0.000) 25.619 16.081 ( 20.735 -11.198 0.000) 23.565 16.351 ( 9.429 35.303 0.000) 36.541 17.023 ( 6.800 -27.073 0.000) 27.914 17.291 ( -15.590 14.665 0.000) 21.403 17.389 ( 13.992 0.310 0.000) 13.995 17.563 ( 5.387 -10.819 0.000) 12.086 17.661 ( -12.207 -23.275 0.000) 26.282 18.016 ( -20.342 6.632 0.000) 21.396 18.142 ( -4.565 5.642 0.000) 7.258 18.177 ( -25.025 -9.187 0.000) 26.658 18.302 ( -9.807 -10.612 0.000) 14.449 21.610 ( 5.537 6.539 0.000) 8.568 21.658 ( 3.863 13.101 0.000) 13.658 21.677 ( 2.938 -0.534 0.000) 2.986 21.855 ( -1.618 -6.727 0.000) 6.919 ======================= Grid point 31 (20/120) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.330 ( 10.873 13.033 0.000) 16.973 3.421 ( 3.517 9.803 0.000) 10.415 3.677 ( 4.224 -15.323 0.000) 15.894 3.706 ( 2.682 -24.629 0.000) 24.774 4.200 ( -7.013 8.355 0.000) 10.908 4.206 ( -7.144 4.764 0.000) 8.587 4.359 ( -3.290 -9.375 0.000) 9.935 4.361 ( -3.872 -7.483 0.000) 8.426 5.277 ( 1.066 5.213 0.000) 5.321 5.356 ( 0.381 -2.533 0.000) 2.562 5.373 ( -7.371 5.572 0.000) 9.240 5.451 ( -7.966 -1.987 0.000) 8.210 7.682 ( 4.973 9.601 0.000) 10.812 7.740 ( -0.998 13.898 0.000) 13.934 7.839 ( 8.525 -6.642 0.000) 10.807 7.957 ( -2.847 -8.696 0.000) 9.150 8.659 ( 8.263 9.533 0.000) 12.616 8.826 ( -8.436 6.883 0.000) 10.888 8.871 ( 8.181 -11.186 0.000) 13.858 8.985 ( -4.264 -8.950 0.000) 9.914 9.804 ( 32.098 20.992 0.000) 38.353 10.206 ( 29.786 -17.741 0.000) 34.670 10.397 ( -21.468 17.370 0.000) 27.615 10.602 ( -11.880 -2.706 0.000) 12.184 10.662 ( 11.887 4.711 0.000) 12.787 10.783 ( 8.267 -7.210 0.000) 10.969 10.963 ( -12.004 3.094 0.000) 12.396 11.125 ( -22.462 -10.505 0.000) 24.797 12.153 ( -3.265 17.226 0.000) 17.533 12.182 ( -4.461 17.885 0.000) 18.433 12.482 ( -1.768 -16.458 0.000) 16.553 12.508 ( -2.794 -15.851 0.000) 16.095 13.328 ( 13.034 2.488 0.000) 13.269 13.415 ( 10.719 -5.595 0.000) 12.091 13.553 ( -6.627 2.529 0.000) 7.093 13.605 ( -7.562 -1.531 0.000) 7.716 13.993 ( 2.474 1.501 0.000) 2.894 14.024 ( -0.688 16.996 0.000) 17.010 14.091 ( 13.903 -6.214 0.000) 15.228 14.362 ( -7.486 -16.954 0.000) 18.534 14.924 ( 1.095 11.016 0.000) 11.070 14.997 ( -3.726 7.294 0.000) 8.191 15.051 ( -1.770 1.356 0.000) 2.230 15.113 ( -5.112 -6.964 0.000) 8.639 16.473 ( 35.023 10.351 0.000) 36.520 16.566 ( 10.474 29.631 0.000) 31.428 16.600 ( 19.010 2.500 0.000) 19.173 17.058 ( -0.130 7.161 0.000) 7.162 17.108 ( -10.955 -15.683 0.000) 19.130 17.303 ( -10.934 -2.808 0.000) 11.289 17.422 ( -10.353 -24.875 0.000) 26.943 17.457 ( -21.736 -12.288 0.000) 24.969 17.829 ( 5.528 -0.875 0.000) 5.597 17.911 ( 5.471 -7.167 0.000) 9.016 18.032 ( -6.401 -2.069 0.000) 6.727 18.070 ( -11.701 -5.415 0.000) 12.893 21.714 ( 2.865 3.643 0.000) 4.634 21.715 ( 1.505 7.506 0.000) 7.655 21.727 ( 2.946 2.352 0.000) 3.770 21.805 ( -3.213 -1.368 0.000) 3.493 ======================= Grid point 63 (21/120) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 0.000 0.000 42.533) 42.533 0.977 ( 0.000 0.000 49.611) 49.611 1.570 ( 0.000 0.000 78.786) 78.786 3.903 ( 0.000 0.000 4.685) 4.685 4.414 ( 0.000 0.000 0.485) 0.485 4.458 ( 0.000 0.000 -13.995) 13.995 4.871 ( 0.000 0.000 -0.222) 0.222 5.102 ( 0.000 0.000 -1.781) 1.781 5.565 ( 0.000 0.000 -5.553) 5.553 5.598 ( 0.000 0.000 -5.180) 5.180 6.297 ( 0.000 0.000 -1.974) 1.974 6.495 ( 0.000 0.000 -21.329) 21.329 6.684 ( 0.000 0.000 2.728) 2.728 7.304 ( 0.000 0.000 15.042) 15.042 7.640 ( 0.000 0.000 4.473) 4.473 7.783 ( 0.000 0.000 10.432) 10.432 7.845 ( 0.000 0.000 6.350) 6.350 8.038 ( 0.000 0.000 -11.490) 11.490 8.585 ( 0.000 0.000 2.128) 2.128 8.803 ( 0.000 0.000 -7.308) 7.308 10.044 ( 0.000 0.000 -6.405) 6.405 10.129 ( 0.000 0.000 -2.577) 2.577 10.231 ( 0.000 0.000 -8.673) 8.673 10.535 ( 0.000 0.000 3.035) 3.035 10.864 ( 0.000 0.000 -3.025) 3.025 11.223 ( 0.000 0.000 6.739) 6.739 11.302 ( 0.000 0.000 -6.182) 6.182 11.518 ( 0.000 0.000 -0.934) 0.934 11.993 ( 0.000 0.000 14.038) 14.038 12.116 ( 0.000 0.000 -1.090) 1.090 12.264 ( 0.000 0.000 12.557) 12.557 12.641 ( 0.000 0.000 -4.934) 4.934 12.709 ( 0.000 0.000 0.888) 0.888 13.125 ( 0.000 0.000 6.822) 6.822 13.159 ( 0.000 0.000 -0.997) 0.997 13.203 ( 0.000 0.000 8.968) 8.968 13.534 ( 0.000 0.000 -9.008) 9.008 13.927 ( 0.000 0.000 1.783) 1.783 13.958 ( 0.000 0.000 1.170) 1.170 14.084 ( 0.000 0.000 -2.796) 2.796 14.265 ( 0.000 0.000 -4.131) 4.131 14.497 ( 0.000 0.000 5.556) 5.556 14.904 ( 0.000 0.000 15.360) 15.360 15.482 ( 0.000 0.000 -0.532) 0.532 15.570 ( 0.000 0.000 -9.541) 9.541 15.925 ( 0.000 0.000 -35.014) 35.014 15.975 ( 0.000 0.000 -0.180) 0.180 16.912 ( 0.000 0.000 6.155) 6.155 17.396 ( 0.000 0.000 27.456) 27.456 17.990 ( 0.000 0.000 -6.696) 6.696 18.112 ( 0.000 0.000 -24.150) 24.150 18.536 ( 0.000 0.000 -4.186) 4.186 18.709 ( 0.000 0.000 -1.544) 1.544 18.731 ( 0.000 0.000 0.123) 0.123 19.316 ( 0.000 0.000 -1.886) 1.886 19.508 ( 0.000 0.000 -6.746) 6.746 20.216 ( 0.000 0.000 21.653) 21.653 20.630 ( 0.000 0.000 4.234) 4.234 21.544 ( 0.000 0.000 1.322) 1.322 22.148 ( 0.000 0.000 -3.574) 3.574 ======================= Grid point 64 (22/120) ======================= q-point: ( 0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 28.161 0.000 26.049) 38.361 1.476 ( 39.040 0.000 30.922) 49.803 2.200 ( 47.915 0.000 56.268) 73.905 3.944 ( 3.701 0.000 4.426) 5.769 4.378 ( -1.455 0.000 -2.941) 3.281 4.492 ( 3.327 0.000 -13.201) 13.614 4.867 ( -4.383 0.000 -2.731) 5.164 5.049 ( -1.655 0.000 0.764) 1.823 5.491 ( -6.873 0.000 -5.373) 8.724 5.553 ( -3.028 0.000 -6.046) 6.762 6.174 ( -11.747 0.000 -1.119) 11.800 6.284 ( -18.180 0.000 -15.916) 24.163 6.729 ( 3.400 0.000 2.093) 3.992 7.169 ( -9.889 0.000 6.649) 11.916 7.320 ( 1.783 0.000 15.769) 15.869 7.761 ( 6.828 0.000 6.783) 9.624 8.141 ( 2.351 0.000 -4.788) 5.334 8.243 ( 26.849 0.000 5.258) 27.359 8.642 ( 5.428 0.000 2.722) 6.073 8.941 ( -4.540 0.000 0.000) 4.540 9.935 ( -3.829 0.000 -6.647) 7.671 10.043 ( -16.483 0.000 -6.613) 17.760 10.425 ( 15.850 0.000 -2.318) 16.019 10.550 ( 1.652 0.000 0.925) 1.894 10.741 ( -9.921 0.000 -2.055) 10.132 11.211 ( -4.996 0.000 3.722) 6.230 11.365 ( 4.200 0.000 -6.134) 7.434 11.397 ( -10.261 0.000 7.422) 12.664 11.908 ( -6.678 0.000 13.130) 14.730 12.122 ( 3.130 0.000 -3.767) 4.898 12.344 ( 9.237 0.000 4.877) 10.446 12.677 ( 4.933 0.000 -7.933) 9.341 12.823 ( 8.186 0.000 -3.055) 8.738 13.033 ( -5.866 0.000 9.956) 11.556 13.102 ( 0.134 0.000 -0.540) 0.556 13.301 ( 11.653 0.000 10.646) 15.784 13.825 ( 16.083 0.000 -13.820) 21.206 13.841 ( -8.716 0.000 -11.787) 14.659 14.056 ( -0.886 0.000 0.339) 0.948 14.246 ( 15.866 0.000 -7.956) 17.749 14.328 ( 3.007 0.000 -4.332) 5.273 14.585 ( 10.832 0.000 14.100) 17.780 14.861 ( -2.205 0.000 14.684) 14.849 15.494 ( 0.932 0.000 1.230) 1.543 15.654 ( -0.212 0.000 -12.827) 12.828 15.775 ( -12.592 0.000 -29.410) 31.992 16.013 ( 8.482 0.000 -0.327) 8.488 16.596 ( -16.004 0.000 17.656) 23.830 17.634 ( -23.211 0.000 -18.324) 29.572 17.716 ( 18.717 0.000 19.532) 27.052 18.101 ( -9.500 0.000 15.769) 18.409 18.239 ( 1.948 0.000 -7.370) 7.623 18.721 ( 0.915 0.000 -0.398) 0.998 19.121 ( 3.198 0.000 -11.805) 12.231 19.301 ( -1.372 0.000 -1.503) 2.034 19.418 ( -7.527 0.000 -6.832) 10.165 20.335 ( 10.879 0.000 15.611) 19.027 20.668 ( 3.855 0.000 1.821) 4.263 21.545 ( -0.018 0.000 0.551) 0.551 21.961 ( -10.265 0.000 -1.533) 10.379 ======================= Grid point 65 (23/120) ======================= q-point: ( 0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 34.332 0.000 8.454) 35.358 2.359 ( 42.836 0.000 15.872) 45.682 3.165 ( 38.578 0.000 36.936) 53.409 4.044 ( 5.356 0.000 3.760) 6.544 4.366 ( -0.854 0.000 -8.118) 8.163 4.577 ( 2.109 0.000 -11.337) 11.531 4.773 ( 1.712 0.000 -5.708) 5.959 5.007 ( -3.887 0.000 4.533) 5.972 5.303 ( -10.375 0.000 -5.040) 11.534 5.489 ( -3.511 0.000 -8.379) 9.085 5.832 ( -23.108 0.000 -9.622) 25.031 5.855 ( -16.891 0.000 2.127) 17.024 6.803 ( 3.597 0.000 2.957) 4.657 7.220 ( 10.769 0.000 -6.411) 12.533 7.374 ( 2.647 0.000 15.153) 15.382 7.999 ( 13.789 0.000 5.556) 14.866 8.200 ( 3.660 0.000 -0.013) 3.660 8.686 ( -8.325 0.000 7.965) 11.522 8.849 ( 7.781 0.000 6.952) 10.434 8.895 ( 34.580 0.000 1.047) 34.595 9.621 ( -22.193 0.000 -3.314) 22.439 9.868 ( -3.375 0.000 -8.215) 8.881 10.461 ( -16.835 0.000 -8.218) 18.734 10.613 ( 4.570 0.000 -0.675) 4.620 10.671 ( 5.974 0.000 2.024) 6.307 11.047 ( -6.706 0.000 9.026) 11.245 11.138 ( -13.633 0.000 10.951) 17.487 11.407 ( -1.023 0.000 -6.990) 7.064 11.755 ( -8.059 0.000 11.099) 13.716 12.208 ( 0.143 0.000 -3.694) 3.696 12.590 ( 14.018 0.000 -0.268) 14.021 12.881 ( 14.084 0.000 -9.465) 16.970 12.959 ( 4.325 0.000 -8.257) 9.321 12.982 ( 2.758 0.000 1.708) 3.244 13.129 ( 1.965 0.000 -5.426) 5.771 13.602 ( -11.573 0.000 -17.007) 20.571 13.638 ( 18.992 0.000 18.237) 26.331 14.014 ( -5.640 0.000 1.622) 5.868 14.140 ( 13.992 0.000 -4.335) 14.648 14.411 ( 8.100 0.000 -8.751) 11.924 14.453 ( 2.639 0.000 -13.251) 13.511 14.921 ( 8.574 0.000 18.648) 20.525 14.964 ( 23.736 0.000 21.005) 31.696 15.305 ( -26.047 0.000 -18.546) 31.975 15.511 ( 0.952 0.000 4.913) 5.004 15.529 ( -13.373 0.000 -15.619) 20.562 16.323 ( 11.550 0.000 -1.679) 11.672 16.515 ( 14.579 0.000 15.880) 21.557 17.108 ( -26.428 0.000 -19.135) 32.628 17.969 ( 5.064 0.000 11.154) 12.249 18.132 ( -12.391 0.000 2.808) 12.705 18.133 ( 9.586 0.000 18.766) 21.073 18.758 ( 3.100 0.000 1.443) 3.420 18.930 ( -17.294 0.000 -4.059) 17.764 19.202 ( -13.977 0.000 -2.615) 14.220 19.257 ( -2.852 0.000 -0.562) 2.907 20.627 ( 15.919 0.000 5.357) 16.797 20.789 ( 7.503 0.000 -3.119) 8.125 21.538 ( -0.772 0.000 -1.331) 1.539 21.781 ( -7.820 0.000 -7.773) 11.026 ======================= Grid point 66 (24/120) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 33.115 0.000 -0.780) 33.124 3.189 ( 35.453 0.000 7.926) 36.328 3.706 ( 14.402 0.000 18.843) 23.717 4.136 ( 2.486 0.000 2.965) 3.870 4.257 ( -9.073 0.000 -3.719) 9.806 4.567 ( -1.888 0.000 -13.046) 13.182 4.872 ( -3.825 0.000 -7.370) 8.304 4.987 ( 7.233 0.000 5.173) 8.893 5.096 ( -8.409 0.000 -4.695) 9.631 5.370 ( -6.756 0.000 -7.434) 10.046 5.384 ( -18.712 0.000 -6.412) 19.780 5.583 ( -7.415 0.000 9.790) 12.281 6.892 ( 5.450 0.000 5.031) 7.417 7.389 ( -2.130 0.000 13.923) 14.085 7.547 ( 19.947 0.000 -8.798) 21.801 8.273 ( 2.577 0.000 6.716) 7.193 8.276 ( 12.084 0.000 5.358) 13.219 8.609 ( 4.042 0.000 6.736) 7.856 9.068 ( 10.663 0.000 6.039) 12.255 9.124 ( -20.022 0.000 -0.927) 20.043 9.695 ( 36.804 0.000 -1.254) 36.826 9.774 ( -5.767 0.000 -9.509) 11.121 10.054 ( -21.344 0.000 -13.069) 25.027 10.610 ( -8.166 0.000 5.551) 9.874 10.744 ( 8.048 0.000 -1.342) 8.160 10.842 ( -13.413 0.000 11.570) 17.714 11.096 ( 8.641 0.000 9.560) 12.886 11.317 ( -7.360 0.000 -6.071) 9.541 11.534 ( -14.189 0.000 4.244) 14.810 12.018 ( -16.093 0.000 4.648) 16.751 12.945 ( 18.865 0.000 -4.057) 19.296 13.016 ( 1.710 0.000 -9.439) 9.592 13.164 ( 0.952 0.000 -13.396) 13.430 13.182 ( 15.238 0.000 -7.462) 16.967 13.206 ( 15.016 0.000 -12.326) 19.427 13.399 ( -5.919 0.000 -8.272) 10.171 13.815 ( -11.667 0.000 2.471) 11.926 14.076 ( 20.987 0.000 18.198) 27.778 14.407 ( 5.186 0.000 -10.207) 11.449 14.441 ( 4.845 0.000 2.882) 5.637 14.648 ( 11.458 0.000 -6.639) 13.242 14.694 ( -27.816 0.000 -11.631) 30.150 15.093 ( 0.450 0.000 8.115) 8.128 15.201 ( -16.418 0.000 -4.175) 16.941 15.385 ( 8.603 0.000 8.148) 11.849 15.697 ( 25.308 0.000 16.724) 30.335 16.557 ( -25.704 0.000 -17.429) 31.056 16.606 ( 20.793 0.000 4.431) 21.260 17.021 ( 27.350 0.000 3.221) 27.539 17.738 ( -24.690 0.000 9.826) 26.573 18.073 ( 5.589 0.000 10.470) 11.868 18.282 ( 2.848 0.000 17.205) 17.439 18.493 ( -22.957 0.000 -1.880) 23.034 18.833 ( -20.842 0.000 1.268) 20.881 18.849 ( 5.249 0.000 1.853) 5.567 19.183 ( -4.257 0.000 0.406) 4.277 20.956 ( 14.893 0.000 -1.323) 14.952 20.973 ( 9.991 0.000 -7.157) 12.290 21.503 ( -2.859 0.000 -3.360) 4.412 21.612 ( -8.689 0.000 -10.284) 13.464 ======================= Grid point 67 (25/120) ======================= q-point: ( 0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.201 ( 28.937 0.000 -4.290) 29.253 3.705 ( -16.532 0.000 -1.668) 16.616 3.794 ( 21.937 0.000 3.703) 22.248 4.097 ( -7.402 0.000 2.518) 7.819 4.197 ( 7.408 0.000 3.394) 8.148 4.421 ( -11.180 0.000 -6.161) 12.765 4.863 ( 3.451 0.000 -11.011) 11.539 4.970 ( -5.887 0.000 -2.345) 6.337 4.994 ( -0.641 0.000 -4.562) 4.607 5.085 ( -9.514 0.000 -5.063) 10.777 5.361 ( 4.186 0.000 6.349) 7.605 5.466 ( -5.348 0.000 11.677) 12.844 7.050 ( 9.722 0.000 7.775) 12.449 7.265 ( -9.406 0.000 11.014) 14.484 7.984 ( 19.140 0.000 -3.356) 19.432 8.255 ( -6.129 0.000 3.876) 7.252 8.506 ( 10.635 0.000 5.357) 11.908 8.757 ( -14.348 0.000 3.723) 14.823 8.861 ( 18.753 0.000 4.002) 19.175 9.189 ( -4.282 0.000 4.809) 6.439 9.643 ( -5.919 0.000 -9.486) 11.181 9.651 ( -12.046 0.000 -13.059) 17.766 10.450 ( 33.966 0.000 -5.164) 34.356 10.497 ( -0.737 0.000 7.924) 7.958 10.595 ( -9.353 0.000 10.343) 13.945 10.936 ( 8.555 0.000 -1.094) 8.625 11.067 ( -19.395 0.000 -6.552) 20.472 11.191 ( -14.159 0.000 -0.622) 14.173 11.329 ( 13.281 0.000 8.509) 15.773 11.650 ( -17.368 0.000 7.432) 18.891 13.060 ( 3.045 0.000 -11.483) 11.880 13.136 ( -3.479 0.000 -15.635) 16.017 13.295 ( 12.828 0.000 -9.377) 15.890 13.397 ( 5.178 0.000 0.541) 5.206 13.414 ( 2.727 0.000 -13.815) 14.082 13.570 ( -10.770 0.000 1.566) 10.883 13.580 ( 22.444 0.000 -9.965) 24.557 14.098 ( -26.727 0.000 -10.070) 28.561 14.447 ( 6.798 0.000 -10.938) 12.878 14.483 ( 17.066 0.000 15.103) 22.789 14.636 ( -1.613 0.000 -3.701) 4.038 14.734 ( -5.156 0.000 7.502) 9.103 14.881 ( -3.309 0.000 3.907) 5.120 15.025 ( -8.425 0.000 18.844) 20.642 15.587 ( 15.502 0.000 -7.884) 17.392 15.998 ( -20.731 0.000 -12.787) 24.358 16.420 ( 32.789 0.000 16.237) 36.589 17.132 ( -32.715 0.000 14.526) 35.795 17.150 ( 28.386 0.000 1.293) 28.415 17.505 ( 9.798 0.000 0.531) 9.812 18.012 ( -11.099 0.000 1.611) 11.215 18.170 ( -1.377 0.000 11.437) 11.520 18.299 ( -3.288 0.000 11.209) 11.681 18.394 ( -16.018 0.000 6.275) 17.204 18.966 ( 5.765 0.000 1.662) 6.000 19.082 ( -5.307 0.000 1.158) 5.431 21.194 ( 10.867 0.000 -9.529) 14.453 21.228 ( 10.918 0.000 -4.217) 11.704 21.408 ( -6.433 0.000 -4.586) 7.900 21.415 ( -10.137 0.000 -10.534) 14.619 ======================= Grid point 72 (26/120) ======================= q-point: ( 0.00 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 0.000 29.739 29.694) 42.026 1.316 ( 0.000 39.923 25.669) 47.463 2.274 ( 0.000 55.353 55.503) 78.387 3.917 ( 0.000 -0.071 3.886) 3.887 4.331 ( 0.000 -8.580 1.047) 8.643 4.415 ( 0.000 -3.118 -12.666) 13.044 4.864 ( 0.000 -0.530 -1.355) 1.455 5.133 ( 0.000 4.084 -1.771) 4.451 5.466 ( 0.000 -6.542 -9.438) 11.484 5.583 ( 0.000 -4.552 -0.421) 4.572 6.227 ( 0.000 -6.885 -2.173) 7.220 6.431 ( 0.000 -6.912 -19.176) 20.384 6.885 ( 0.000 11.462 -1.837) 11.608 7.307 ( 0.000 0.191 15.807) 15.808 7.541 ( 0.000 -6.710 6.726) 9.500 7.779 ( 0.000 -5.073 7.028) 8.668 7.886 ( 0.000 7.039 6.259) 9.419 8.049 ( 0.000 -0.993 -10.284) 10.332 8.625 ( 0.000 -6.841 -7.713) 10.310 8.654 ( 0.000 7.102 2.143) 7.419 9.905 ( 0.000 -13.415 -7.580) 15.408 10.186 ( 0.000 5.264 -4.802) 7.125 10.348 ( 0.000 8.779 -5.902) 10.579 10.604 ( 0.000 -20.777 -3.084) 21.004 10.629 ( 0.000 9.765 -0.567) 9.782 11.038 ( 0.000 -11.696 10.549) 15.750 11.221 ( 0.000 -7.343 6.339) 9.700 11.618 ( 0.000 8.501 -8.740) 12.193 12.122 ( 0.000 1.086 -0.710) 1.298 12.203 ( 0.000 15.669 12.247) 19.887 12.293 ( 0.000 3.388 12.426) 12.879 12.634 ( 0.000 -0.362 -5.212) 5.224 12.749 ( 0.000 1.813 2.026) 2.719 13.053 ( 0.000 -5.374 8.089) 9.711 13.121 ( 0.000 0.936 2.981) 3.125 13.289 ( 0.000 7.051 11.807) 13.752 13.628 ( 0.000 -2.920 -15.128) 15.407 13.935 ( 0.000 0.462 -1.156) 1.245 13.984 ( 0.000 3.510 -4.735) 5.894 14.124 ( 0.000 -5.486 -7.433) 9.238 14.304 ( 0.000 8.557 9.499) 12.785 14.447 ( 0.000 -4.112 8.726) 9.646 15.015 ( 0.000 11.984 8.086) 14.457 15.483 ( 0.000 0.126 -6.113) 6.114 15.634 ( 0.000 5.524 -11.461) 12.723 15.891 ( 0.000 -2.860 -32.797) 32.921 16.050 ( 0.000 6.585 3.456) 7.436 16.843 ( 0.000 -6.590 5.932) 8.866 17.324 ( 0.000 -7.390 26.765) 27.767 18.002 ( 0.000 1.096 -2.535) 2.762 18.085 ( 0.000 -6.475 -17.010) 18.201 18.317 ( 0.000 -19.301 22.038) 29.295 18.462 ( 0.000 -14.166 -8.263) 16.400 18.529 ( 0.000 -5.649 -2.950) 6.373 19.242 ( 0.000 -5.577 -9.379) 10.912 19.261 ( 0.000 -18.510 1.141) 18.546 20.512 ( 0.000 23.681 13.510) 27.263 20.808 ( 0.000 15.541 3.568) 15.945 21.559 ( 0.000 1.289 1.245) 1.792 22.267 ( 0.000 1.898 -9.458) 9.647 ======================= Grid point 73 (27/120) ======================= q-point: ( 0.11 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 20.099 27.962 23.056) 41.442 1.556 ( 28.455 19.596 24.939) 42.611 2.768 ( 39.054 46.113 40.991) 73.019 3.938 ( 1.837 -1.680 3.413) 4.225 4.311 ( -0.563 -7.312 -0.259) 7.338 4.442 ( 2.542 -4.044 -12.717) 13.585 4.844 ( -3.648 -1.715 -2.842) 4.932 5.093 ( -2.732 4.466 -0.363) 5.248 5.408 ( -5.866 -6.999 -8.215) 12.283 5.526 ( -4.095 -3.829 -2.778) 6.257 6.115 ( -10.338 -5.525 -1.723) 11.848 6.253 ( -15.833 -4.209 -14.877) 22.130 6.947 ( 5.071 13.330 -3.326) 14.645 7.254 ( -12.792 10.127 3.709) 16.732 7.337 ( 1.700 2.700 15.333) 15.661 7.716 ( 5.875 -3.896 5.400) 8.880 8.079 ( 9.924 -4.794 4.382) 11.861 8.263 ( 18.043 -1.685 -0.019) 18.121 8.698 ( 4.947 1.697 1.783) 5.525 8.718 ( -0.806 -9.213 0.951) 9.297 9.852 ( -2.956 -9.573 -6.789) 12.102 10.066 ( -18.337 -0.600 -6.200) 19.366 10.394 ( 11.461 -1.943 -2.538) 11.898 10.647 ( 1.663 9.466 -2.731) 9.991 10.678 ( 0.464 -4.944 -0.176) 4.969 10.962 ( -6.040 -12.767 6.024) 15.354 11.226 ( -0.535 -8.022 7.877) 11.255 11.555 ( -5.535 7.537 -3.038) 9.832 12.120 ( -2.202 5.652 1.396) 6.224 12.175 ( -0.797 13.301 3.307) 13.729 12.373 ( 8.910 3.077 5.097) 10.716 12.630 ( 1.863 -3.552 -5.963) 7.186 12.835 ( 4.423 -0.141 -1.498) 4.672 13.026 ( 0.722 1.964 6.257) 6.598 13.158 ( 3.562 3.368 2.131) 5.346 13.425 ( 9.519 7.687 7.191) 14.192 13.708 ( 1.806 -6.526 -6.892) 9.662 13.910 ( 3.163 0.742 -14.103) 14.473 13.998 ( 0.253 -0.710 -2.469) 2.581 14.234 ( 7.303 -6.441 -1.615) 9.871 14.401 ( 6.618 8.003 0.900) 10.424 14.528 ( 10.541 -4.279 17.168) 20.595 15.013 ( 0.828 15.174 7.817) 17.089 15.446 ( -1.419 -3.148 -2.074) 4.028 15.710 ( -0.399 2.929 -16.819) 17.077 15.744 ( -12.801 -2.331 -27.282) 30.226 16.098 ( 6.113 6.684 -0.175) 9.059 16.555 ( -13.065 -2.783 19.110) 23.316 17.637 ( 6.460 -4.277 8.693) 11.645 17.675 ( -8.463 -0.051 -4.834) 9.746 18.093 ( -6.618 -0.206 12.797) 14.408 18.220 ( 3.277 -7.118 -2.145) 8.124 18.487 ( -0.765 -15.905 -4.855) 16.647 18.811 ( 11.434 -25.512 0.464) 27.961 19.148 ( -8.787 -10.690 -5.450) 14.873 19.233 ( -3.662 -12.410 -2.720) 13.221 20.589 ( 7.371 21.429 10.430) 24.946 20.843 ( 3.475 15.287 1.556) 15.754 21.562 ( 0.214 1.511 0.476) 1.599 22.105 ( -11.214 6.639 -6.680) 14.644 ======================= Grid point 74 (28/120) ======================= q-point: ( 0.22 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 28.280 17.618 9.467) 34.638 2.282 ( 37.225 0.535 19.692) 42.116 3.564 ( 30.793 31.569 24.583) 50.489 3.987 ( 2.640 -5.603 1.525) 6.379 4.346 ( 3.662 -3.246 -3.082) 5.783 4.512 ( 2.699 -6.294 -10.614) 12.632 4.729 ( -4.133 -3.994 -5.520) 7.969 5.014 ( -5.762 0.378 2.562) 6.317 5.244 ( -8.294 -3.943 -4.080) 10.049 5.442 ( -4.133 -4.486 -7.299) 9.512 5.832 ( -16.356 -1.891 -0.110) 16.465 5.856 ( -19.188 0.928 -7.987) 20.804 7.008 ( 0.236 19.172 0.518) 19.181 7.233 ( 9.964 1.556 -5.100) 11.301 7.408 ( 4.293 3.033 15.138) 16.025 7.961 ( 14.509 -3.659 5.663) 15.999 8.190 ( 4.260 -0.955 1.175) 4.521 8.555 ( -2.790 -11.819 8.533) 14.842 8.847 ( 9.086 1.581 3.802) 9.975 8.886 ( 29.226 -0.825 1.993) 29.306 9.620 ( -21.655 -1.516 -3.463) 21.982 9.819 ( -1.537 -5.886 -6.579) 8.960 10.510 ( -12.055 4.491 -6.782) 14.543 10.581 ( 1.218 -4.303 -1.333) 4.666 10.703 ( 2.702 5.034 1.578) 5.928 10.879 ( 0.802 -10.130 6.117) 11.861 11.119 ( -10.232 -1.216 9.629) 14.103 11.474 ( -1.671 2.462 -3.594) 4.666 11.931 ( -11.356 14.697 8.623) 20.477 12.256 ( 0.246 4.998 -4.219) 6.545 12.613 ( 13.314 2.616 -0.154) 13.569 12.758 ( 9.110 -9.857 -5.774) 14.612 12.857 ( 2.311 -4.818 -4.011) 6.682 13.102 ( 5.334 7.058 -4.758) 10.045 13.240 ( 2.662 9.556 -4.715) 10.983 13.511 ( -5.085 -9.017 -10.096) 14.460 13.781 ( 13.547 10.648 8.503) 19.215 13.957 ( -3.445 -3.319 -0.174) 4.787 14.132 ( 12.906 -1.467 -0.560) 13.001 14.304 ( 0.377 -6.221 -1.819) 6.493 14.627 ( 13.363 10.443 -7.283) 18.457 14.823 ( 14.189 -4.650 11.799) 19.031 15.145 ( 11.819 14.010 14.408) 23.314 15.253 ( -20.098 -2.574 -10.010) 22.600 15.503 ( -10.330 0.658 -13.119) 16.711 15.560 ( -4.220 -0.308 -5.563) 6.990 16.255 ( 6.223 -7.309 1.492) 9.715 16.581 ( 15.724 7.983 13.533) 22.229 17.181 ( -23.451 6.921 -16.284) 29.377 17.952 ( 6.091 -2.738 11.666) 13.442 18.083 ( 6.242 -3.552 15.703) 17.267 18.174 ( -9.180 2.896 3.718) 10.320 18.468 ( 1.420 -25.591 0.791) 25.642 18.858 ( -14.864 -9.572 -4.747) 18.305 18.931 ( -2.973 -26.310 0.624) 26.485 19.086 ( -9.990 -10.120 -0.202) 14.222 20.804 ( 12.486 16.158 3.530) 20.723 20.951 ( 6.668 14.224 -2.658) 15.932 21.562 ( -0.330 2.179 -1.401) 2.611 21.891 ( -9.204 7.493 -8.317) 14.493 ======================= Grid point 75 (29/120) ======================= q-point: ( 0.33 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 29.390 8.447 0.546) 30.584 3.013 ( 31.306 -8.984 14.154) 35.512 3.952 ( 7.280 13.532 4.536) 16.021 4.034 ( 1.974 -6.001 0.869) 6.376 4.335 ( -6.826 5.978 1.742) 9.240 4.502 ( 0.101 -7.603 -13.244) 15.272 4.743 ( -0.561 -16.481 -2.531) 16.684 4.856 ( -8.403 -3.455 0.463) 9.098 5.133 ( -2.128 0.747 1.193) 2.551 5.356 ( -2.925 -1.372 -7.226) 7.915 5.448 ( -16.528 4.858 -4.871) 17.903 5.573 ( -9.686 -0.377 5.241) 11.019 7.046 ( 4.340 14.985 4.338) 16.193 7.436 ( 1.660 4.255 11.598) 12.465 7.586 ( 18.142 3.744 -4.088) 18.970 8.227 ( 7.548 -3.693 9.498) 12.681 8.291 ( 7.449 0.917 1.827) 7.725 8.587 ( 8.558 -1.108 6.277) 10.671 8.997 ( -0.526 -3.644 4.113) 5.520 9.194 ( -9.251 2.769 -0.581) 9.674 9.507 ( 16.002 -11.853 -2.170) 20.032 9.886 ( 15.277 3.821 -6.486) 17.031 10.138 ( -20.747 9.005 -11.305) 25.285 10.526 ( -5.243 -6.966 2.134) 8.976 10.791 ( 3.229 3.116 3.685) 5.807 10.877 ( -8.676 4.230 6.336) 11.546 10.989 ( 7.045 -7.342 6.542) 12.097 11.413 ( -5.850 3.812 -5.159) 8.682 11.678 ( -12.761 14.459 4.535) 19.811 12.057 ( -16.515 4.436 4.546) 17.694 12.876 ( 5.588 -9.808 -9.802) 14.950 12.936 ( 10.347 -3.538 -3.554) 11.498 13.043 ( 14.257 -8.549 -8.173) 18.524 13.216 ( -0.124 4.225 -15.353) 15.925 13.281 ( 8.746 6.790 -10.253) 15.090 13.466 ( 2.221 2.489 1.830) 3.805 13.842 ( -4.553 1.335 1.354) 4.934 14.119 ( 14.489 2.236 4.477) 15.329 14.236 ( -2.181 -10.801 -2.542) 11.309 14.454 ( 10.247 2.369 7.863) 13.131 14.692 ( -19.658 2.255 -7.119) 21.029 14.868 ( 3.064 9.173 -4.649) 10.731 15.058 ( 9.539 3.408 0.507) 10.142 15.132 ( -18.328 -3.496 -14.588) 23.684 15.522 ( 3.891 8.014 13.645) 16.296 15.730 ( 27.368 4.054 16.610) 32.269 16.434 ( 3.234 -7.754 -1.941) 8.622 16.728 ( -4.772 7.898 -10.587) 14.044 17.067 ( 22.953 4.921 5.503) 24.111 17.757 ( -23.600 1.675 9.547) 25.513 18.076 ( 2.696 0.360 9.485) 9.868 18.218 ( 2.943 -6.797 16.061) 17.687 18.415 ( -20.843 -8.317 -1.500) 22.492 18.569 ( 1.390 -23.387 -0.604) 23.436 18.733 ( -14.797 -13.336 3.468) 20.220 18.940 ( -4.046 -20.241 1.366) 20.686 21.073 ( 12.526 11.132 -2.112) 16.890 21.115 ( 8.933 12.475 -6.346) 16.604 21.539 ( -2.163 3.323 -3.450) 5.256 21.707 ( -8.807 7.539 -9.892) 15.240 ======================= Grid point 76 (30/120) ======================= q-point: ( 0.44 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.221 ( 25.696 1.854 -2.745) 25.908 3.502 ( 9.980 -11.733 6.902) 16.879 3.876 ( -7.471 3.532 -5.029) 9.674 3.981 ( -8.457 -7.755 -0.509) 11.486 4.327 ( 7.144 7.266 0.180) 10.191 4.470 ( -4.536 -0.174 -6.755) 8.138 4.689 ( -1.885 -17.439 1.541) 17.608 4.714 ( -4.143 -9.666 -1.465) 10.618 5.098 ( -0.045 1.745 -4.423) 4.755 5.182 ( -8.349 5.185 -5.815) 11.420 5.355 ( 1.596 0.154 3.171) 3.553 5.423 ( -5.159 -2.488 8.373) 10.144 7.189 ( 8.762 13.174 7.450) 17.488 7.369 ( -7.060 9.683 11.260) 16.443 7.989 ( 17.139 0.320 -1.257) 17.188 8.231 ( -5.684 -2.396 5.080) 7.991 8.502 ( 10.634 -0.039 3.952) 11.345 8.744 ( -12.991 -0.814 3.492) 13.477 8.920 ( 20.553 5.777 3.128) 21.578 9.216 ( -1.211 0.915 3.452) 3.771 9.568 ( -1.677 -6.535 -6.265) 9.207 9.692 ( -17.840 5.932 -11.669) 22.127 10.422 ( 18.192 -0.682 -5.881) 19.132 10.460 ( 0.706 -2.919 3.983) 4.988 10.674 ( 3.640 4.958 7.860) 9.980 10.967 ( 4.844 1.848 -1.194) 5.320 11.093 ( 0.504 -4.932 2.562) 5.581 11.146 ( -18.717 4.299 -4.837) 19.804 11.511 ( 0.658 14.922 4.134) 15.498 11.701 ( -15.237 6.006 6.887) 17.767 12.947 ( 3.117 -11.466 -10.634) 15.946 13.010 ( -1.756 -11.688 -9.182) 14.967 13.239 ( 4.395 2.378 -10.915) 12.004 13.313 ( 0.521 -2.940 -10.111) 10.542 13.529 ( 18.534 -0.690 -5.451) 19.332 13.589 ( 8.908 6.053 -0.633) 10.789 13.786 ( -2.696 12.682 1.058) 13.009 14.053 ( -22.990 -5.331 -5.588) 24.253 14.263 ( 6.773 -12.010 -4.799) 14.600 14.404 ( 4.010 0.558 -4.746) 6.238 14.718 ( -4.944 -1.389 -7.411) 9.017 14.775 ( -8.758 -3.092 4.423) 10.287 14.923 ( 10.114 8.528 14.796) 19.848 15.145 ( -5.740 13.332 12.064) 18.874 15.673 ( 15.397 7.729 -6.189) 18.306 16.078 ( -20.007 7.790 -12.166) 24.678 16.442 ( 33.532 2.544 16.787) 37.585 17.101 ( 5.047 -1.898 4.975) 7.336 17.190 ( -9.007 2.653 9.654) 13.467 17.520 ( 10.333 1.501 2.003) 10.632 17.918 ( -14.062 -9.196 0.925) 16.828 18.097 ( -7.254 -7.873 9.071) 14.032 18.251 ( -0.579 -4.872 10.893) 11.947 18.330 ( -11.780 -5.768 6.785) 14.767 18.729 ( 5.961 -22.035 2.608) 22.976 18.847 ( -5.117 -21.798 2.080) 22.487 21.304 ( 9.419 7.914 -5.489) 13.471 21.312 ( 9.462 9.801 -7.922) 15.759 21.463 ( -5.220 5.163 -4.790) 8.767 21.517 ( -9.351 8.653 -9.947) 16.164 ======================= Grid point 81 (31/120) ======================= q-point: ( 0.00 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 0.000 40.985 8.543) 41.866 2.149 ( 0.000 43.490 13.610) 45.570 3.401 ( 0.000 56.620 32.182) 65.127 3.790 ( 0.000 -15.065 -0.111) 15.066 4.073 ( 0.000 -18.051 2.326) 18.200 4.433 ( 0.000 6.405 -8.114) 10.337 4.856 ( 0.000 -0.244 -2.888) 2.898 5.240 ( 0.000 3.799 -2.141) 4.361 5.317 ( 0.000 -7.661 -8.380) 11.354 5.481 ( 0.000 -2.567 -1.059) 2.777 6.047 ( 0.000 -11.183 -2.358) 11.429 6.211 ( 0.000 -16.287 -12.317) 20.420 7.026 ( 0.000 4.446 3.097) 5.418 7.302 ( 0.000 -1.601 16.953) 17.028 7.428 ( 0.000 -3.896 5.898) 7.069 7.661 ( 0.000 -7.158 14.751) 16.396 8.005 ( 0.000 4.704 1.601) 4.969 8.020 ( 0.000 -0.338 -14.671) 14.675 8.647 ( 0.000 6.707 -11.575) 13.378 8.862 ( 0.000 14.299 1.807) 14.413 9.541 ( 0.000 -22.429 -4.536) 22.884 10.136 ( 0.000 -24.146 -3.141) 24.349 10.316 ( 0.000 4.983 -8.368) 9.739 10.455 ( 0.000 1.519 -8.308) 8.446 10.854 ( 0.000 6.620 7.209) 9.788 11.014 ( 0.000 14.890 0.094) 14.890 11.100 ( 0.000 -5.126 10.806) 11.960 11.720 ( 0.000 1.284 -13.999) 14.058 12.181 ( 0.000 5.668 0.324) 5.677 12.383 ( 0.000 5.009 12.873) 13.813 12.444 ( 0.000 6.604 11.484) 13.247 12.667 ( 0.000 5.261 -3.459) 6.297 12.752 ( 0.000 -2.216 1.293) 2.565 12.958 ( 0.000 -4.633 9.526) 10.593 13.173 ( 0.000 4.293 -1.032) 4.415 13.439 ( 0.000 7.933 12.305) 14.641 13.493 ( 0.000 -8.275 -12.373) 14.885 13.922 ( 0.000 -2.191 -7.019) 7.353 13.935 ( 0.000 -8.792 -7.636) 11.645 14.018 ( 0.000 -4.265 9.539) 10.449 14.392 ( 0.000 -0.490 16.382) 16.389 14.428 ( 0.000 3.733 11.445) 12.039 15.373 ( 0.000 20.609 1.172) 20.642 15.504 ( 0.000 6.063 -14.076) 15.326 15.681 ( 0.000 -3.331 -27.855) 28.053 15.900 ( 0.000 6.201 -15.300) 16.509 16.193 ( 0.000 6.900 5.991) 9.138 16.704 ( 0.000 -5.706 7.914) 9.756 17.110 ( 0.000 -14.964 23.516) 27.873 17.653 ( 0.000 -33.094 3.509) 33.279 18.037 ( 0.000 3.373 8.331) 8.988 18.175 ( 0.000 0.776 0.074) 0.779 18.339 ( 0.000 0.397 -22.610) 22.614 18.445 ( 0.000 -5.112 -2.690) 5.776 18.937 ( 0.000 -12.788 4.597) 13.589 19.107 ( 0.000 -8.146 -11.283) 13.916 21.002 ( 0.000 25.586 7.724) 26.726 21.130 ( 0.000 16.022 2.636) 16.238 21.576 ( 0.000 -0.033 1.269) 1.269 22.167 ( 0.000 -10.843 -3.731) 11.467 ======================= Grid point 82 (32/120) ======================= q-point: ( 0.11 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 12.163 34.498 10.787) 38.137 2.237 ( 9.529 39.180 14.854) 42.971 3.705 ( 23.259 43.445 21.786) 53.880 3.801 ( 1.750 -11.454 1.705) 11.712 4.071 ( 0.796 -17.815 2.659) 18.030 4.417 ( -1.461 3.044 -9.693) 10.264 4.818 ( -4.061 -0.776 -2.980) 5.096 5.162 ( -8.076 -3.495 -0.067) 8.800 5.289 ( -1.151 0.212 -8.074) 8.158 5.446 ( -3.163 -1.615 -2.458) 4.319 5.970 ( -7.311 -9.257 -1.996) 11.964 6.106 ( -9.577 -11.250 -10.007) 17.845 7.087 ( 5.631 3.958 0.796) 6.929 7.314 ( 2.604 -1.456 12.849) 13.191 7.531 ( 10.520 4.860 6.463) 13.269 7.719 ( -8.621 9.016 -2.428) 12.709 7.941 ( 13.566 -9.082 12.851) 20.777 8.162 ( 6.573 -4.877 -5.886) 10.081 8.643 ( 1.450 4.343 -3.312) 5.651 8.885 ( 1.933 12.535 2.001) 12.840 9.536 ( -0.101 -21.570 -3.407) 21.837 9.918 ( -16.145 -14.849 -3.441) 22.203 10.372 ( 4.018 0.317 -7.123) 8.184 10.561 ( 5.969 -5.704 -5.114) 9.712 10.852 ( -0.715 5.256 8.224) 9.786 10.969 ( -5.173 14.715 -1.486) 15.669 11.113 ( 1.762 -2.155 8.191) 8.651 11.642 ( -7.494 1.537 -5.819) 9.612 12.184 ( 2.336 3.937 -2.293) 5.120 12.417 ( 0.442 4.237 5.172) 6.701 12.456 ( 5.617 5.676 6.236) 10.132 12.618 ( -4.083 5.752 -4.288) 8.255 12.799 ( 1.274 -3.472 0.275) 3.708 13.092 ( 10.039 2.682 5.950) 11.974 13.212 ( 4.680 2.606 -2.612) 5.960 13.424 ( -1.258 -6.454 -11.367) 13.131 13.692 ( 14.288 4.955 14.227) 20.763 13.862 ( 0.740 -3.714 -10.865) 11.506 14.009 ( -0.416 -2.877 5.097) 5.867 14.080 ( 5.846 -7.625 -0.181) 9.609 14.459 ( 9.429 0.403 17.190) 19.611 14.532 ( 9.086 3.380 7.650) 12.349 15.388 ( -1.111 6.066 -2.388) 6.613 15.459 ( -0.153 21.156 -4.411) 21.612 15.628 ( -8.219 -6.179 -27.948) 29.780 15.802 ( -6.747 4.018 -12.087) 14.414 16.141 ( -8.549 -4.080 -2.866) 9.897 16.603 ( 3.605 9.631 20.722) 23.134 17.418 ( 19.252 -17.791 15.267) 30.336 17.637 ( -4.369 -19.609 -2.219) 20.212 17.857 ( -11.023 -6.585 0.581) 12.854 18.120 ( -1.893 3.048 6.222) 7.183 18.399 ( -0.718 -9.305 -7.744) 12.127 18.445 ( -0.051 -2.776 -5.744) 6.379 18.864 ( -6.944 -13.677 1.382) 15.401 19.058 ( -5.087 -8.450 -6.255) 11.680 21.045 ( 4.189 24.175 5.529) 25.151 21.160 ( 2.812 15.651 1.145) 15.943 21.585 ( 0.764 0.328 0.482) 0.961 22.096 ( -5.913 -7.059 -4.730) 10.352 ======================= Grid point 83 (33/120) ======================= q-point: ( 0.22 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 18.830 21.163 12.512) 30.968 2.560 ( 20.588 26.113 11.485) 35.180 3.808 ( 0.884 -14.026 -0.953) 14.086 4.036 ( 3.759 0.109 4.299) 5.712 4.272 ( 15.787 6.671 8.764) 19.249 4.383 ( -1.220 -4.760 -12.394) 13.333 4.663 ( -10.907 -1.519 -3.627) 11.594 4.961 ( -9.597 -5.980 3.304) 11.780 5.265 ( -2.286 6.574 -1.148) 7.055 5.376 ( -2.080 0.505 -7.073) 7.390 5.760 ( -12.052 -5.503 -0.515) 13.259 5.850 ( -13.782 -2.245 -7.146) 15.686 7.272 ( 12.222 3.561 -2.769) 13.028 7.421 ( 4.518 10.690 6.777) 13.439 7.490 ( -3.228 13.092 4.975) 14.373 7.895 ( 16.333 -1.476 8.298) 18.379 8.162 ( 7.196 -2.017 4.080) 8.515 8.343 ( 9.086 -8.514 4.314) 13.177 8.858 ( 20.183 -0.444 2.318) 20.320 8.939 ( 3.399 6.777 1.982) 7.836 9.510 ( -12.264 -10.828 -2.629) 16.570 9.604 ( -1.932 -15.458 -0.742) 15.596 10.425 ( 0.572 -4.344 -6.309) 7.681 10.677 ( 5.359 -7.268 -0.381) 9.038 10.736 ( -12.260 10.955 -0.236) 16.443 10.877 ( -0.570 8.218 2.448) 8.594 11.122 ( -3.364 2.778 6.226) 7.602 11.490 ( -4.330 -0.101 -3.378) 5.493 12.189 ( -6.190 10.057 2.747) 12.125 12.395 ( -1.770 8.541 -2.882) 9.186 12.588 ( 3.657 -6.519 -3.722) 8.350 12.685 ( 11.827 3.031 -2.866) 12.541 12.782 ( -0.521 -1.010 0.496) 1.240 13.233 ( 4.360 3.551 -7.827) 9.637 13.301 ( -1.053 -8.750 -7.003) 11.257 13.439 ( 6.614 8.890 -7.259) 13.247 13.799 ( -1.279 -4.068 -2.906) 5.161 14.014 ( 0.901 -3.164 4.247) 5.372 14.095 ( 9.723 2.591 13.166) 16.571 14.177 ( 11.620 -4.231 8.012) 14.735 14.762 ( 10.248 0.735 -2.290) 10.526 14.803 ( 21.071 4.495 5.148) 22.151 15.202 ( -17.604 -0.441 -7.467) 19.127 15.473 ( -0.500 -5.865 -7.926) 9.873 15.522 ( -9.268 12.160 -10.878) 18.764 15.610 ( 4.012 19.184 3.627) 19.932 16.063 ( 3.301 -11.463 1.371) 12.007 16.814 ( 13.216 14.821 13.115) 23.798 17.349 ( -18.083 9.700 -10.579) 23.087 17.766 ( 11.741 -27.940 7.005) 31.106 17.821 ( 4.737 -21.160 12.986) 25.275 18.076 ( -2.444 2.819 4.234) 5.643 18.320 ( -10.413 5.805 0.125) 11.922 18.366 ( -3.259 -26.118 2.350) 26.426 18.645 ( -14.344 -12.956 -5.449) 20.082 18.890 ( -10.734 -9.891 2.281) 14.773 21.171 ( 7.466 20.058 0.647) 21.412 21.245 ( 5.238 14.493 -2.168) 15.562 21.603 ( 0.776 1.399 -1.465) 2.169 21.958 ( -6.792 -1.608 -7.035) 9.910 ======================= Grid point 84 (34/120) ======================= q-point: ( 0.33 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( 21.231 10.515 6.534) 24.576 3.021 ( 21.629 10.812 10.187) 26.239 3.832 ( 1.095 -12.138 -2.337) 12.409 4.101 ( 3.024 -5.676 -0.721) 6.471 4.290 ( -10.799 -8.710 -9.917) 17.053 4.399 ( -3.141 -14.945 -4.563) 15.938 4.471 ( -2.670 4.714 1.978) 5.767 4.774 ( -8.822 -5.945 7.698) 13.131 5.178 ( -4.454 4.987 -1.621) 6.880 5.370 ( -0.923 3.869 -3.465) 5.275 5.501 ( -11.821 -0.460 -0.385) 11.836 5.581 ( -10.967 1.049 -4.759) 12.001 7.406 ( 1.875 19.299 2.268) 19.522 7.534 ( 7.637 5.759 8.923) 13.081 7.671 ( 15.370 4.460 4.793) 16.706 8.142 ( 5.855 -4.863 8.489) 11.402 8.334 ( 9.699 4.249 1.042) 10.640 8.601 ( 17.754 2.507 5.509) 18.757 8.959 ( -4.141 -0.069 1.724) 4.486 9.184 ( -6.794 -3.616 -0.926) 7.752 9.296 ( 10.986 -8.520 0.508) 13.912 9.843 ( 23.156 -9.644 -2.010) 25.165 10.379 ( -16.277 12.174 -9.380) 22.386 10.425 ( -3.528 0.296 -3.558) 5.019 10.815 ( 5.880 -5.081 3.616) 8.571 10.864 ( -3.414 -0.288 6.158) 7.048 10.993 ( -4.334 6.303 2.271) 7.979 11.440 ( -3.947 -0.514 -6.350) 7.494 11.990 ( -10.619 15.492 1.722) 18.861 12.195 ( -15.411 9.563 4.275) 18.634 12.656 ( 1.997 -11.249 -9.386) 14.786 12.809 ( 0.829 -8.617 -4.576) 9.792 12.992 ( 16.362 1.886 -0.520) 16.479 13.253 ( 1.456 -2.036 -11.348) 11.621 13.387 ( 7.092 5.096 -8.567) 12.233 13.564 ( 4.273 7.545 -4.079) 9.582 13.818 ( 6.314 -3.376 -0.060) 7.160 13.968 ( -6.157 -11.071 8.833) 15.443 14.169 ( 1.360 -2.340 -3.051) 4.078 14.514 ( 9.450 2.605 9.532) 13.673 14.778 ( -6.629 5.491 -4.751) 9.832 14.939 ( -1.360 2.779 -5.101) 5.966 15.039 ( -14.019 -0.731 -9.255) 16.814 15.345 ( 11.095 13.202 -5.758) 18.181 15.576 ( 6.574 0.432 5.856) 8.815 15.938 ( 23.494 18.377 16.818) 34.242 16.272 ( 14.699 -8.987 0.466) 17.235 16.914 ( -9.602 11.605 -10.141) 18.158 17.204 ( 12.795 8.389 8.763) 17.632 17.773 ( -17.312 -2.620 8.224) 19.344 17.902 ( 3.702 -29.625 3.282) 30.036 18.081 ( -5.618 -3.619 7.934) 10.373 18.107 ( 3.864 -10.544 11.075) 15.772 18.255 ( -20.815 -13.194 -7.310) 25.706 18.313 ( -3.759 -19.831 5.825) 21.008 18.632 ( -13.246 -12.023 5.468) 18.706 21.336 ( 7.907 14.679 -3.554) 17.047 21.372 ( 6.755 12.470 -5.399) 15.175 21.609 ( -0.407 3.220 -3.646) 4.882 21.818 ( -6.734 2.561 -8.648) 11.256 ======================= Grid point 85 (35/120) ======================= q-point: ( 0.44 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.255 ( 17.888 1.663 2.699) 18.166 3.376 ( 9.281 0.051 6.303) 11.219 3.829 ( -0.975 -7.130 -4.989) 8.756 3.950 ( -14.190 0.772 -8.497) 16.558 4.214 ( 5.241 -14.994 -3.852) 16.344 4.337 ( -5.454 -12.444 4.935) 14.456 4.460 ( 3.512 -3.639 -0.551) 5.088 4.592 ( -8.231 -6.158 7.091) 12.488 5.140 ( 1.687 4.151 -3.595) 5.745 5.251 ( -8.325 3.584 -2.978) 9.540 5.365 ( -1.011 -0.029 0.089) 1.015 5.413 ( -5.260 0.508 -1.417) 5.472 7.496 ( 5.680 16.784 6.639) 18.922 7.587 ( -1.794 11.658 11.478) 16.458 7.985 ( 12.435 -1.109 3.867) 13.069 8.158 ( -3.927 -5.271 6.970) 9.581 8.535 ( 9.512 4.261 1.677) 10.557 8.748 ( -11.217 1.787 1.835) 11.505 9.022 ( 16.576 0.744 1.950) 16.707 9.157 ( 0.234 -6.933 1.624) 7.125 9.497 ( 12.947 3.871 -3.169) 13.880 9.925 ( -23.526 17.054 -10.417) 30.867 10.378 ( 15.407 -6.252 -4.482) 17.221 10.454 ( 4.978 2.805 -4.755) 7.434 10.730 ( 2.118 1.121 6.162) 6.612 10.951 ( -3.320 -4.788 -1.440) 6.002 10.972 ( 6.129 -5.152 2.708) 8.452 11.216 ( -16.758 0.248 -2.971) 17.021 11.833 ( -2.644 16.883 1.819) 17.186 11.907 ( -9.713 14.919 5.441) 18.615 12.694 ( 2.710 -13.318 -7.777) 15.659 12.771 ( -3.779 -12.690 -4.948) 14.136 13.287 ( 7.759 -0.198 -5.853) 9.721 13.315 ( 2.893 4.248 -10.028) 11.268 13.517 ( 8.715 0.888 -2.789) 9.194 13.701 ( 6.977 6.616 -2.570) 9.953 13.788 ( -7.546 -11.252 6.347) 14.961 14.012 ( -14.584 -3.116 -3.564) 15.333 14.096 ( 18.693 -1.753 -5.439) 19.547 14.531 ( -20.354 -7.959 -11.972) 24.919 14.600 ( 6.170 11.196 -5.510) 13.920 14.775 ( -8.701 4.804 -4.510) 10.915 15.105 ( 14.041 6.789 16.667) 22.825 15.359 ( -8.606 3.872 13.857) 16.765 15.896 ( 19.908 17.091 -10.832) 28.386 16.284 ( -14.983 13.324 -11.215) 22.974 16.540 ( 32.205 8.185 17.504) 37.557 17.047 ( 17.104 -4.431 0.241) 17.670 17.250 ( -21.595 3.572 12.069) 24.995 17.541 ( 12.878 -1.672 6.013) 14.311 17.696 ( -25.113 -12.426 -1.092) 28.040 17.850 ( -11.062 -17.252 2.548) 20.651 18.090 ( 5.416 -13.817 6.762) 16.309 18.202 ( -1.806 -8.260 7.743) 11.465 18.269 ( 1.977 -17.862 8.904) 20.056 18.387 ( -8.860 -20.850 5.940) 23.420 21.482 ( 5.754 9.832 -5.342) 12.582 21.517 ( 6.479 9.475 -7.609) 13.772 21.580 ( -2.044 6.051 -5.331) 8.319 21.675 ( -7.001 6.183 -8.857) 12.872 ======================= Grid point 90 (36/120) ======================= q-point: ( 0.00 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( 0.000 37.231 1.585) 37.264 2.949 ( 0.000 38.119 7.740) 38.896 3.354 ( 0.000 -28.642 -0.917) 28.656 3.604 ( 0.000 -28.748 4.580) 29.111 4.338 ( 0.000 33.376 7.178) 34.139 4.589 ( 0.000 4.660 -9.228) 10.338 4.870 ( 0.000 3.391 1.510) 3.712 5.056 ( 0.000 -13.386 2.212) 13.567 5.390 ( 0.000 11.690 -5.462) 12.903 5.578 ( 0.000 10.618 -1.712) 10.755 5.794 ( 0.000 -24.172 -2.213) 24.273 5.814 ( 0.000 -13.749 -2.874) 14.046 7.108 ( 0.000 4.775 5.619) 7.374 7.217 ( 0.000 -6.032 10.611) 12.205 7.427 ( 0.000 3.109 10.080) 10.548 7.523 ( 0.000 -6.433 13.607) 15.051 8.040 ( 0.000 1.658 -9.503) 9.646 8.056 ( 0.000 0.586 -3.634) 3.681 8.828 ( 0.000 11.726 -7.511) 13.925 9.114 ( 0.000 -15.980 -3.904) 16.450 9.212 ( 0.000 17.757 1.078) 17.790 9.650 ( 0.000 -24.607 -0.784) 24.620 10.406 ( 0.000 3.419 -11.997) 12.475 10.449 ( 0.000 -1.315 -11.974) 12.046 10.941 ( 0.000 4.030 14.584) 15.130 11.015 ( 0.000 -3.853 13.208) 13.758 11.395 ( 0.000 18.790 -12.309) 22.463 11.659 ( 0.000 -8.037 -15.712) 17.648 12.353 ( 0.000 11.654 1.802) 11.793 12.453 ( 0.000 1.822 12.024) 12.161 12.485 ( 0.000 0.112 9.767) 9.768 12.616 ( 0.000 -11.656 2.015) 11.828 12.801 ( 0.000 6.319 2.852) 6.933 12.887 ( 0.000 -3.030 6.907) 7.542 13.271 ( 0.000 5.082 -3.429) 6.130 13.362 ( 0.000 -5.001 -8.689) 10.026 13.590 ( 0.000 7.843 5.355) 9.497 13.753 ( 0.000 -9.105 -5.237) 10.504 13.875 ( 0.000 -1.171 -2.139) 2.439 13.915 ( 0.000 -4.957 11.333) 12.370 14.425 ( 0.000 2.815 18.739) 18.949 14.461 ( 0.000 -0.289 15.259) 15.262 15.489 ( 0.000 2.793 -24.404) 24.564 15.574 ( 0.000 -5.805 -30.712) 31.255 16.011 ( 0.000 32.540 2.296) 32.621 16.066 ( 0.000 9.132 -9.103) 12.894 16.234 ( 0.000 -2.613 -4.831) 5.492 16.692 ( 0.000 -30.004 9.786) 31.560 16.731 ( 0.000 9.891 19.813) 22.144 17.054 ( 0.000 -23.988 17.490) 29.687 18.148 ( 0.000 7.705 6.588) 10.137 18.239 ( 0.000 4.611 -8.536) 9.702 18.309 ( 0.000 -7.068 -3.843) 8.045 18.327 ( 0.000 -4.501 -10.309) 11.249 18.828 ( 0.000 1.750 -3.018) 3.488 18.942 ( 0.000 -8.235 -9.854) 12.842 21.392 ( 0.000 10.604 1.952) 10.782 21.478 ( 0.000 23.018 3.913) 23.348 21.537 ( 0.000 -4.447 1.503) 4.694 21.881 ( 0.000 -18.155 0.475) 18.161 ======================= Grid point 91 (37/120) ======================= q-point: ( 0.11 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( 4.679 34.856 1.841) 35.217 2.980 ( 3.604 36.289 9.943) 37.799 3.376 ( 1.866 -27.476 -0.888) 27.553 3.619 ( 1.573 -28.509 5.875) 29.150 4.405 ( 3.903 20.599 0.790) 20.980 4.524 ( -5.735 4.665 -9.889) 12.347 4.827 ( -4.244 3.030 1.301) 5.374 4.979 ( -6.485 -10.863 3.342) 13.086 5.426 ( 3.327 14.162 -4.344) 15.182 5.549 ( -2.668 10.450 -1.778) 10.930 5.760 ( -4.420 -12.816 -1.452) 13.635 5.810 ( -0.286 -18.186 -4.070) 18.638 7.161 ( 5.449 4.148 3.397) 7.644 7.249 ( 4.648 -4.610 7.853) 10.224 7.583 ( 13.939 4.235 12.169) 18.982 7.712 ( 14.930 -8.443 14.505) 22.463 7.975 ( -3.391 8.552 -6.397) 11.205 8.091 ( 2.077 -3.823 -5.216) 6.792 8.801 ( -0.529 11.759 -3.142) 12.183 9.104 ( -0.269 -17.095 -1.939) 17.207 9.191 ( -2.005 15.027 1.342) 15.220 9.561 ( -8.138 -20.039 -0.570) 21.636 10.407 ( 0.317 2.901 -10.467) 10.866 10.473 ( 2.101 -3.788 -9.574) 10.508 10.938 ( -0.718 3.973 12.042) 12.701 11.007 ( -0.912 -3.284 11.572) 12.063 11.373 ( -2.615 17.276 -8.826) 19.575 11.605 ( -5.669 -6.246 -9.122) 12.425 12.289 ( -1.189 6.551 1.125) 6.752 12.396 ( -1.723 -3.740 3.919) 5.684 12.544 ( 6.699 4.590 2.902) 8.623 12.671 ( 2.842 -7.326 1.431) 7.987 12.838 ( -0.949 11.324 -0.495) 11.374 13.036 ( 5.105 -8.027 2.157) 9.754 13.287 ( 4.296 4.096 -7.237) 9.359 13.338 ( 3.831 -1.941 -10.107) 10.981 13.784 ( 12.166 1.956 5.728) 13.588 13.836 ( 3.171 4.011 4.206) 6.620 13.869 ( 2.347 -7.168 2.728) 8.021 13.960 ( 5.261 -6.548 12.342) 14.929 14.514 ( 9.687 3.834 13.927) 17.393 14.561 ( 9.384 -0.536 11.354) 14.739 15.420 ( -5.969 2.381 -17.789) 18.914 15.498 ( -7.437 -5.610 -25.658) 27.296 15.880 ( -9.958 5.863 -6.730) 13.372 16.008 ( -14.522 -7.269 -3.914) 16.705 16.097 ( 3.682 35.795 1.173) 36.003 16.823 ( 5.382 -26.199 5.024) 27.214 16.887 ( 14.544 4.355 16.346) 22.309 17.211 ( 13.195 -18.287 17.859) 28.766 17.953 ( -15.336 8.513 -4.160) 18.027 18.125 ( -7.367 -7.569 -0.437) 10.571 18.269 ( -3.907 4.170 -3.745) 6.832 18.408 ( 2.049 -6.822 -6.866) 9.893 18.751 ( -7.408 3.184 -1.395) 8.183 18.887 ( -5.678 -8.797 -5.583) 11.865 21.415 ( 2.085 10.173 0.765) 10.413 21.491 ( 1.343 19.866 1.619) 19.977 21.557 ( 1.728 -2.357 0.984) 3.084 21.865 ( -1.372 -15.991 -1.180) 16.093 ======================= Grid point 92 (38/120) ======================= q-point: ( 0.22 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 8.135 27.766 3.857) 29.189 3.117 ( 9.176 28.759 9.783) 31.733 3.429 ( 3.486 -23.680 -0.400) 23.939 3.679 ( 4.125 -25.999 8.830) 27.765 4.362 ( -7.271 2.208 -12.360) 14.509 4.409 ( -6.156 -0.191 -9.309) 11.162 4.701 ( -7.110 5.071 2.612) 9.115 4.825 ( -7.982 -7.278 5.724) 12.226 5.436 ( -5.044 9.730 -0.872) 10.995 5.523 ( 0.929 12.168 -4.920) 13.158 5.623 ( -8.026 -7.994 -0.549) 11.341 5.750 ( -6.006 -8.477 -5.294) 11.660 7.346 ( 11.996 4.118 1.384) 12.759 7.422 ( 11.041 -3.193 7.354) 13.645 7.819 ( -0.273 12.071 2.694) 12.371 7.926 ( 9.799 1.538 9.766) 13.920 8.131 ( 16.735 0.980 5.177) 17.544 8.218 ( 14.265 -5.439 1.813) 15.374 8.904 ( 11.636 6.990 2.160) 13.745 9.102 ( -3.100 6.143 -0.030) 6.881 9.185 ( 6.212 -14.694 2.586) 16.161 9.342 ( -11.614 -12.089 -0.059) 16.764 10.422 ( 1.114 3.384 -8.122) 8.868 10.530 ( 3.109 -7.140 -5.534) 9.553 10.888 ( -5.000 5.327 6.302) 9.648 10.957 ( -4.068 -1.167 6.532) 7.784 11.293 ( -4.733 12.305 -3.235) 13.575 11.461 ( -5.884 -4.175 -5.037) 8.800 12.327 ( 1.287 5.435 -2.467) 6.106 12.429 ( 2.674 -4.765 -2.585) 6.044 12.604 ( -7.061 5.559 -1.858) 9.176 12.671 ( 2.103 -1.953 -3.369) 4.426 12.876 ( 5.765 7.736 1.116) 9.712 13.051 ( 2.170 -10.528 -5.036) 11.871 13.392 ( 4.268 6.833 -8.818) 11.944 13.498 ( 6.626 -2.928 -10.034) 12.376 13.777 ( -1.436 1.682 -1.189) 2.511 13.857 ( -1.842 -7.445 6.678) 10.170 14.118 ( 8.131 2.388 11.122) 13.982 14.179 ( 16.780 -1.399 18.745) 25.198 14.792 ( 12.572 2.746 -1.451) 12.950 14.840 ( 16.536 -1.093 2.478) 16.756 15.235 ( -11.612 3.939 -7.350) 14.297 15.342 ( -4.488 -6.670 -7.791) 11.195 15.661 ( -7.785 7.895 -9.631) 14.686 15.843 ( 0.615 -10.656 -2.989) 11.084 16.218 ( 7.832 36.408 3.956) 37.450 16.932 ( 5.548 -29.295 3.593) 30.031 17.204 ( 14.564 6.796 13.098) 20.733 17.497 ( 11.903 -14.638 13.602) 23.259 17.609 ( -16.041 11.254 -3.069) 19.834 17.916 ( -11.412 -18.953 -1.355) 22.165 18.184 ( -5.089 7.183 -0.737) 8.834 18.352 ( -7.567 -8.480 -5.699) 12.714 18.526 ( -13.653 6.235 3.378) 15.384 18.698 ( -12.042 -9.808 2.715) 15.766 21.476 ( 3.663 8.953 -2.037) 9.886 21.535 ( 2.806 14.527 -2.522) 15.009 21.601 ( 2.313 0.099 -1.025) 2.532 21.830 ( -1.869 -11.090 -4.397) 12.076 ======================= Grid point 93 (39/120) ======================= q-point: ( 0.33 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( 11.719 18.237 3.944) 22.033 3.322 ( 9.365 14.857 5.388) 18.371 3.534 ( 6.109 -15.332 2.220) 16.653 3.764 ( 2.962 -21.413 9.458) 23.595 4.224 ( -8.908 -1.680 -12.096) 15.116 4.238 ( -3.960 -2.770 -10.895) 11.919 4.538 ( -8.625 3.767 3.063) 9.897 4.643 ( -9.444 -6.724 7.033) 13.560 5.308 ( -5.816 7.270 -1.948) 9.512 5.428 ( -7.477 -3.910 -1.650) 8.598 5.496 ( -6.035 4.981 -2.817) 8.317 5.577 ( -9.454 -2.178 -6.043) 11.430 7.610 ( 11.857 4.257 4.692) 13.444 7.651 ( 9.241 1.032 6.212) 11.183 7.832 ( 3.536 12.901 7.647) 15.408 8.030 ( 1.737 -7.315 6.163) 9.721 8.467 ( 13.234 8.904 3.213) 16.271 8.615 ( 19.175 -3.827 4.864) 20.149 8.997 ( -6.856 3.962 -0.348) 7.926 9.092 ( -7.225 -5.187 -0.777) 8.928 9.255 ( 18.498 6.957 2.301) 19.897 9.541 ( 26.570 -18.697 1.525) 32.525 10.459 ( 2.599 5.277 -6.099) 8.474 10.560 ( -4.049 -1.422 -6.784) 8.028 10.743 ( -4.070 3.490 1.853) 5.673 10.847 ( -6.899 -3.961 2.785) 8.429 11.165 ( -7.614 11.715 -0.678) 13.988 11.371 ( -5.631 -7.506 -5.483) 10.868 12.247 ( -7.202 11.353 -3.201) 13.820 12.406 ( -8.404 10.379 1.775) 13.473 12.455 ( -3.420 -8.806 -6.392) 11.406 12.627 ( -4.525 -10.336 -0.664) 11.302 13.075 ( 12.017 6.124 2.443) 13.706 13.186 ( 9.404 -4.382 -1.611) 10.499 13.486 ( 4.252 4.631 -10.305) 12.071 13.586 ( 4.393 -5.161 -12.007) 13.787 13.799 ( 2.426 0.328 -4.824) 5.410 13.810 ( -1.987 -3.626 5.360) 6.769 14.199 ( -0.854 7.832 6.163) 10.002 14.417 ( 2.568 -11.329 5.550) 12.874 14.935 ( 0.419 9.080 -5.592) 10.672 14.998 ( 2.460 1.704 -1.719) 3.451 15.088 ( -6.810 5.557 -3.820) 9.583 15.287 ( 0.773 -12.093 2.654) 12.405 15.798 ( 21.007 16.177 -1.578) 26.561 16.075 ( 21.377 -11.908 0.336) 24.472 16.429 ( 12.737 31.277 8.340) 34.786 17.064 ( 7.203 -25.329 4.192) 26.665 17.218 ( -15.579 11.029 -7.004) 20.332 17.506 ( 5.367 1.571 7.751) 9.557 17.615 ( -2.711 -14.249 3.196) 14.853 17.776 ( 0.447 -15.233 13.516) 20.370 18.002 ( -11.520 0.405 2.609) 11.818 18.080 ( -18.291 -6.532 -3.614) 19.756 18.262 ( -8.980 6.152 8.014) 13.517 18.422 ( -13.462 -9.734 7.326) 18.156 21.561 ( 4.367 6.852 -4.933) 9.506 21.598 ( 2.970 9.494 -5.483) 11.358 21.645 ( 1.747 1.803 -3.650) 4.430 21.787 ( -2.330 -5.629 -6.755) 9.097 ======================= Grid point 94 (40/120) ======================= q-point: ( 0.44 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.354 ( 11.167 9.656 2.555) 14.982 3.470 ( 2.644 7.854 3.007) 8.816 3.625 ( 3.166 -12.628 -1.396) 13.093 3.745 ( -5.676 -16.452 0.061) 17.404 4.141 ( 3.464 4.979 -3.352) 6.930 4.232 ( 1.025 -1.086 2.743) 3.123 4.360 ( -6.043 -3.303 -0.125) 6.888 4.443 ( -9.173 -8.169 5.998) 13.669 5.244 ( 0.589 5.606 -3.207) 6.485 5.333 ( -1.035 -2.844 -2.068) 3.666 5.337 ( -7.057 4.133 -3.521) 8.904 5.403 ( -6.550 -1.952 -4.232) 8.039 7.783 ( 4.005 9.735 7.869) 13.142 7.792 ( 4.193 10.449 8.028) 13.827 7.938 ( 5.354 -3.177 9.217) 11.122 8.025 ( -2.333 -8.363 7.266) 11.321 8.676 ( 7.771 9.915 1.730) 12.716 8.827 ( -7.003 5.882 0.172) 9.147 8.896 ( 6.694 -10.365 2.579) 12.606 8.990 ( -3.440 -9.156 0.581) 9.798 9.762 ( 27.663 19.803 -4.482) 34.315 10.141 ( 25.562 -16.337 -6.528) 31.031 10.283 ( -19.252 15.956 -10.864) 27.263 10.490 ( -4.844 -2.454 -7.712) 9.432 10.733 ( 2.176 0.354 2.791) 3.556 10.825 ( 9.147 -7.242 4.661) 12.564 10.954 ( -12.410 5.622 -0.442) 13.631 11.125 ( -17.117 -8.869 0.419) 19.283 12.150 ( -0.459 15.751 -0.393) 15.763 12.223 ( -6.798 16.157 2.705) 17.736 12.436 ( 1.528 -13.639 -4.079) 14.318 12.515 ( -5.399 -13.889 -0.747) 14.920 13.323 ( 10.560 4.014 -0.408) 11.305 13.379 ( 7.003 1.075 -3.407) 7.862 13.529 ( -0.384 -0.385 -4.384) 4.417 13.588 ( -5.777 -7.203 -1.454) 9.347 13.851 ( 6.680 6.593 -8.901) 12.935 13.929 ( 8.490 -2.047 -6.134) 10.672 14.094 ( -5.203 2.404 -3.214) 6.571 14.279 ( -12.880 -13.528 -8.125) 20.369 14.929 ( 0.226 16.839 -0.290) 16.843 14.962 ( -3.303 12.736 -1.052) 13.200 15.127 ( 7.535 -4.625 9.457) 12.946 15.256 ( -4.205 -12.623 8.464) 15.769 16.314 ( 23.288 22.629 -9.438) 33.816 16.541 ( 12.404 6.588 -5.548) 15.101 16.760 ( 18.198 13.969 12.099) 25.936 16.937 ( -5.219 -3.478 -6.825) 9.269 17.223 ( 4.857 -12.784 7.055) 15.388 17.337 ( -9.407 -22.100 -2.095) 24.109 17.437 ( -18.895 2.325 11.695) 22.343 17.598 ( -19.759 -10.943 9.297) 24.425 17.883 ( 10.788 0.880 6.456) 12.603 18.005 ( 5.776 -9.010 9.362) 14.219 18.125 ( -5.884 -2.887 8.533) 10.759 18.148 ( -12.699 -5.128 6.996) 15.379 21.649 ( 2.134 4.842 -6.441) 8.335 21.649 ( 3.068 5.108 -6.766) 9.016 21.669 ( 0.770 2.980 -5.836) 6.598 21.730 ( -3.190 -0.646 -7.532) 8.205 ======================= Grid point 126 (41/120) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 0.000 0.000 40.557) 40.557 1.905 ( 0.000 0.000 45.845) 45.845 2.986 ( 0.000 0.000 64.642) 64.642 4.012 ( 0.000 0.000 5.921) 5.921 4.113 ( 0.000 0.000 -19.848) 19.848 4.417 ( 0.000 0.000 0.060) 0.060 4.868 ( 0.000 0.000 0.103) 0.103 5.063 ( 0.000 0.000 -1.966) 1.966 5.424 ( 0.000 0.000 -8.569) 8.569 5.443 ( 0.000 0.000 -10.586) 10.586 6.013 ( 0.000 0.000 -26.797) 26.797 6.243 ( 0.000 0.000 -3.609) 3.609 6.756 ( 0.000 0.000 4.719) 4.719 7.561 ( 0.000 0.000 9.128) 9.128 7.751 ( 0.000 0.000 6.392) 6.392 7.795 ( 0.000 0.000 -11.055) 11.055 8.021 ( 0.000 0.000 11.513) 11.513 8.142 ( 0.000 0.000 27.278) 27.278 8.631 ( 0.000 0.000 -9.402) 9.402 8.646 ( 0.000 0.000 4.115) 4.115 9.886 ( 0.000 0.000 -8.934) 8.934 9.924 ( 0.000 0.000 -19.609) 19.609 10.027 ( 0.000 0.000 -8.111) 8.111 10.720 ( 0.000 0.000 13.134) 13.134 10.761 ( 0.000 0.000 -7.739) 7.739 11.131 ( 0.000 0.000 -11.292) 11.292 11.369 ( 0.000 0.000 6.203) 6.203 11.534 ( 0.000 0.000 2.688) 2.688 12.013 ( 0.000 0.000 -10.934) 10.934 12.299 ( 0.000 0.000 15.891) 15.891 12.574 ( 0.000 0.000 18.581) 18.581 12.574 ( 0.000 0.000 0.450) 0.450 12.716 ( 0.000 0.000 -0.891) 0.891 13.139 ( 0.000 0.000 -0.721) 0.721 13.331 ( 0.000 0.000 14.641) 14.641 13.345 ( 0.000 0.000 -9.149) 9.149 13.445 ( 0.000 0.000 15.311) 15.311 13.818 ( 0.000 0.000 -20.267) 20.267 13.904 ( 0.000 0.000 -4.823) 4.823 13.988 ( 0.000 0.000 1.562) 1.562 14.368 ( 0.000 0.000 11.338) 11.338 14.729 ( 0.000 0.000 18.842) 18.842 15.182 ( 0.000 0.000 -33.559) 33.559 15.295 ( 0.000 0.000 24.052) 24.052 15.372 ( 0.000 0.000 -16.726) 16.726 15.440 ( 0.000 0.000 -4.189) 4.189 15.907 ( 0.000 0.000 -7.451) 7.451 17.120 ( 0.000 0.000 15.301) 15.301 17.528 ( 0.000 0.000 -33.566) 33.566 17.792 ( 0.000 0.000 -13.752) 13.752 17.882 ( 0.000 0.000 21.477) 21.477 18.401 ( 0.000 0.000 -9.753) 9.753 18.729 ( 0.000 0.000 2.900) 2.900 18.735 ( 0.000 0.000 0.313) 0.313 19.265 ( 0.000 0.000 -3.262) 3.262 19.323 ( 0.000 0.000 -11.974) 11.974 20.662 ( 0.000 0.000 22.676) 22.676 20.750 ( 0.000 0.000 8.051) 8.051 21.576 ( 0.000 0.000 1.771) 1.771 22.046 ( 0.000 0.000 -6.919) 6.919 ======================= Grid point 127 (42/120) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 12.292 0.000 34.175) 36.318 2.168 ( 23.190 0.000 37.982) 44.501 3.351 ( 30.723 0.000 56.976) 64.731 4.048 ( 3.263 0.000 5.756) 6.617 4.142 ( 2.649 0.000 -19.957) 20.132 4.342 ( -5.565 0.000 -2.050) 5.931 4.823 ( -6.947 0.000 -1.295) 7.067 5.048 ( 1.547 0.000 -1.403) 2.088 5.352 ( -6.603 0.000 -8.452) 10.725 5.404 ( -3.514 0.000 -9.107) 9.761 5.888 ( -11.613 0.000 -23.458) 26.175 6.141 ( -9.482 0.000 -2.253) 9.746 6.796 ( 3.447 0.000 4.720) 5.845 7.288 ( -16.611 0.000 6.601) 17.874 7.630 ( 5.254 0.000 12.023) 13.121 7.985 ( 3.123 0.000 17.196) 17.478 7.991 ( 4.480 0.000 -8.338) 9.466 8.436 ( 21.600 0.000 15.833) 26.781 8.716 ( 6.959 0.000 4.638) 8.363 8.832 ( 7.481 0.000 -8.738) 11.503 9.798 ( -3.818 0.000 -7.141) 8.097 9.812 ( -10.560 0.000 -15.508) 18.762 10.325 ( 19.419 0.000 -8.430) 21.170 10.646 ( -4.050 0.000 7.559) 8.576 10.656 ( -10.127 0.000 -7.265) 12.463 11.211 ( 4.675 0.000 -9.279) 10.391 11.329 ( -3.472 0.000 6.777) 7.614 11.534 ( -1.584 0.000 6.658) 6.844 12.014 ( 0.232 0.000 -9.321) 9.324 12.190 ( -8.559 0.000 14.534) 16.867 12.454 ( -2.477 0.000 2.565) 3.566 12.583 ( -0.552 0.000 5.072) 5.102 12.771 ( 3.583 0.000 -3.303) 4.873 13.045 ( -6.373 0.000 -4.667) 7.899 13.206 ( -6.940 0.000 5.060) 8.589 13.546 ( -1.456 0.000 -2.533) 2.922 13.589 ( 7.012 0.000 4.266) 8.207 13.749 ( 20.731 0.000 6.025) 21.589 14.047 ( 5.211 0.000 -5.624) 7.667 14.095 ( 6.719 0.000 -6.532) 9.371 14.279 ( -6.664 0.000 4.253) 7.906 14.948 ( 18.493 0.000 22.763) 29.329 15.055 ( -7.145 0.000 -18.233) 19.583 15.246 ( -6.468 0.000 -11.289) 13.011 15.492 ( 3.690 0.000 6.259) 7.265 15.499 ( 4.906 0.000 -1.326) 5.082 15.916 ( 5.920 0.000 -8.926) 10.711 16.973 ( -8.432 0.000 21.317) 22.924 17.170 ( -23.230 0.000 -27.980) 36.367 18.020 ( 10.506 0.000 -14.902) 18.233 18.084 ( 10.479 0.000 13.913) 17.418 18.295 ( 1.064 0.000 6.568) 6.654 18.749 ( 1.817 0.000 3.016) 3.521 18.937 ( 8.405 0.000 -7.065) 10.980 19.231 ( -7.647 0.000 -11.925) 14.167 19.260 ( -0.512 0.000 -2.751) 2.799 20.684 ( 2.310 0.000 18.823) 18.964 20.734 ( -1.268 0.000 5.012) 5.170 21.557 ( -1.812 0.000 0.603) 1.909 21.883 ( -13.081 0.000 -6.235) 14.491 ======================= Grid point 128 (43/120) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 20.139 0.000 19.220) 27.838 2.764 ( 31.568 0.000 24.587) 40.013 3.946 ( 15.399 0.000 35.520) 38.714 4.136 ( 4.668 0.000 5.334) 7.089 4.154 ( -1.897 0.000 -14.791) 14.913 4.345 ( 6.485 0.000 -6.656) 9.293 4.686 ( 1.105 0.000 -2.378) 2.622 5.084 ( 0.291 0.000 2.511) 2.528 5.171 ( -9.974 0.000 -8.079) 12.835 5.303 ( -6.055 0.000 -9.349) 11.138 5.567 ( -17.826 0.000 -17.075) 24.685 5.905 ( -10.654 0.000 2.623) 10.972 6.886 ( 5.025 0.000 5.448) 7.412 7.176 ( 4.706 0.000 2.262) 5.222 7.720 ( 2.486 0.000 16.554) 16.739 8.092 ( 6.117 0.000 -7.771) 9.890 8.166 ( 12.422 0.000 12.937) 17.935 8.834 ( 0.612 0.000 6.584) 6.612 8.949 ( 9.903 0.000 1.380) 9.998 8.976 ( 28.671 0.000 8.132) 29.802 9.524 ( -15.012 0.000 -5.933) 16.142 9.713 ( -4.880 0.000 -6.486) 8.117 10.274 ( -21.264 0.000 -10.395) 23.669 10.619 ( 1.683 0.000 1.207) 2.071 10.701 ( 9.410 0.000 -0.769) 9.442 11.251 ( -2.347 0.000 10.474) 10.734 11.253 ( -1.047 0.000 -9.085) 9.145 11.391 ( -11.688 0.000 14.515) 18.635 11.958 ( -14.810 0.000 7.758) 16.719 12.082 ( 5.155 0.000 -10.589) 11.777 12.543 ( 10.087 0.000 -3.453) 10.661 12.661 ( 8.137 0.000 -9.404) 12.436 12.822 ( 0.470 0.000 -9.989) 10.000 12.908 ( -4.599 0.000 -10.817) 11.754 13.071 ( -5.296 0.000 5.951) 7.966 13.376 ( -4.379 0.000 -5.785) 7.256 13.992 ( 10.860 0.000 9.844) 14.658 14.098 ( 4.691 0.000 -8.940) 10.096 14.100 ( 2.772 0.000 14.855) 15.112 14.199 ( 6.568 0.000 -12.428) 14.057 14.274 ( 16.465 0.000 2.935) 16.725 14.880 ( -12.954 0.000 -22.727) 26.160 14.981 ( -15.421 0.000 -16.834) 22.830 15.425 ( 24.860 0.000 25.805) 35.832 15.544 ( 4.738 0.000 22.782) 23.269 15.610 ( 6.166 0.000 4.293) 7.513 16.208 ( 18.268 0.000 -8.458) 20.131 16.666 ( -24.397 0.000 -25.026) 34.951 16.914 ( 4.614 0.000 22.824) 23.286 18.109 ( -2.821 0.000 -5.923) 6.561 18.168 ( 3.701 0.000 6.783) 7.727 18.522 ( 12.118 0.000 19.345) 22.827 18.806 ( 3.743 0.000 3.430) 5.077 18.842 ( -15.462 0.000 -4.929) 16.229 19.106 ( -6.290 0.000 -6.469) 9.023 19.240 ( -1.456 0.000 -1.250) 1.919 20.721 ( 0.676 0.000 -3.289) 3.357 20.769 ( 5.971 0.000 8.888) 10.707 21.502 ( -3.478 0.000 -2.400) 4.226 21.597 ( -13.119 0.000 -10.659) 16.904 ======================= Grid point 129 (44/120) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 24.299 0.000 4.696) 24.749 3.405 ( 28.322 0.000 13.810) 31.510 3.917 ( -9.722 0.000 -2.074) 9.940 4.214 ( 1.870 0.000 4.856) 5.204 4.220 ( 3.292 0.000 -7.030) 7.763 4.299 ( -5.584 0.000 -5.461) 7.810 4.768 ( -4.236 0.000 -1.196) 4.401 4.973 ( -8.080 0.000 -7.609) 11.099 5.127 ( -8.389 0.000 -1.935) 8.609 5.202 ( -15.928 0.000 -12.163) 20.041 5.264 ( 16.082 0.000 8.339) 18.116 5.765 ( -3.382 0.000 8.134) 8.809 7.013 ( 7.605 0.000 6.938) 10.294 7.441 ( 19.873 0.000 -1.850) 19.959 7.698 ( -5.419 0.000 14.428) 15.412 8.243 ( 7.408 0.000 -4.791) 8.822 8.435 ( 12.623 0.000 12.062) 17.459 8.866 ( 4.199 0.000 15.767) 16.317 9.156 ( -12.601 0.000 5.460) 13.733 9.177 ( 9.980 0.000 1.651) 10.116 9.592 ( -6.521 0.000 -7.093) 9.635 9.676 ( 30.790 0.000 0.089) 30.790 9.778 ( -24.362 0.000 -12.813) 27.526 10.711 ( 7.005 0.000 -2.171) 7.333 10.734 ( -3.849 0.000 6.591) 7.632 11.111 ( -13.693 0.000 14.985) 20.299 11.172 ( -6.921 0.000 -9.144) 11.468 11.311 ( 7.336 0.000 11.408) 13.564 11.554 ( -22.658 0.000 -4.087) 23.024 12.066 ( -8.580 0.000 -2.019) 8.814 12.813 ( 0.886 0.000 -12.597) 12.629 12.821 ( 14.206 0.000 -8.079) 16.343 12.874 ( 10.912 0.000 -18.684) 21.638 12.893 ( 0.946 0.000 -6.772) 6.838 13.078 ( 8.172 0.000 -2.946) 8.687 13.337 ( -0.021 0.000 -1.324) 1.324 13.810 ( -12.941 0.000 -1.813) 13.067 14.093 ( -1.458 0.000 -17.780) 17.840 14.372 ( -20.160 0.000 -16.339) 25.950 14.379 ( 14.132 0.000 -2.683) 14.385 14.540 ( 19.534 0.000 10.997) 22.417 14.619 ( -6.592 0.000 -6.112) 8.989 14.845 ( 9.167 0.000 -0.165) 9.168 15.605 ( -0.748 0.000 11.107) 11.132 15.615 ( -0.892 0.000 27.355) 27.369 16.058 ( 19.961 0.000 15.295) 25.147 16.201 ( -10.174 0.000 -12.343) 15.995 16.623 ( 22.585 0.000 -3.388) 22.838 17.191 ( 20.133 0.000 14.250) 24.666 17.895 ( -17.296 0.000 4.992) 18.002 18.298 ( 8.223 0.000 10.087) 13.014 18.414 ( -21.445 0.000 -4.042) 21.823 18.701 ( 1.731 0.000 22.249) 22.316 18.860 ( -16.759 0.000 1.836) 16.860 18.901 ( 5.193 0.000 3.517) 6.272 19.194 ( -3.022 0.000 0.701) 3.103 20.781 ( 5.230 0.000 -12.198) 13.272 20.927 ( 8.774 0.000 -1.384) 8.882 21.348 ( -10.977 0.000 -16.123) 19.505 21.412 ( -5.188 0.000 -5.879) 7.841 ======================= Grid point 130 (45/120) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( 25.419 0.000 -4.818) 25.872 3.605 ( -20.371 0.000 -8.448) 22.053 3.900 ( 18.554 0.000 7.002) 19.831 4.168 ( -7.159 0.000 4.693) 8.560 4.209 ( -0.717 0.000 -2.950) 3.036 4.237 ( -2.497 0.000 -11.566) 11.833 4.743 ( 4.675 0.000 -1.322) 4.858 4.872 ( -0.920 0.000 -7.579) 7.634 4.915 ( -10.287 0.000 -3.488) 10.862 4.946 ( -8.024 0.000 -9.008) 12.064 5.554 ( 9.793 0.000 13.583) 16.745 5.696 ( -4.415 0.000 11.406) 12.231 7.218 ( 12.123 0.000 8.315) 14.701 7.494 ( -13.043 0.000 10.206) 16.561 7.930 ( 24.084 0.000 -1.967) 24.164 8.290 ( -6.932 0.000 0.513) 6.951 8.684 ( 11.255 0.000 13.737) 17.759 8.911 ( -10.817 0.000 12.925) 16.854 9.016 ( 10.408 0.000 10.732) 14.950 9.304 ( -12.298 0.000 0.790) 12.324 9.348 ( 0.382 0.000 -14.367) 14.372 9.469 ( -6.147 0.000 -2.703) 6.715 10.319 ( 29.690 0.000 -7.707) 30.674 10.690 ( 2.100 0.000 11.486) 11.677 10.842 ( -11.326 0.000 14.305) 18.246 10.886 ( -22.816 0.000 -11.598) 25.595 10.899 ( 10.459 0.000 -3.547) 11.044 11.140 ( -13.930 0.000 -4.864) 14.755 11.514 ( 11.718 0.000 8.998) 14.774 11.795 ( -14.779 0.000 5.579) 15.797 12.860 ( 2.829 0.000 -8.233) 8.705 12.901 ( -0.697 0.000 -7.511) 7.544 13.029 ( 6.008 0.000 -17.675) 18.669 13.057 ( 4.225 0.000 -20.361) 20.795 13.381 ( 4.839 0.000 -1.574) 5.088 13.403 ( 20.635 0.000 -8.525) 22.327 13.550 ( -11.068 0.000 -2.470) 11.340 13.869 ( -23.149 0.000 -13.281) 26.688 14.148 ( 5.921 0.000 -16.814) 17.826 14.368 ( -13.405 0.000 -18.816) 23.102 14.687 ( 13.638 0.000 -3.584) 14.101 14.819 ( 4.145 0.000 5.818) 7.144 15.175 ( 16.716 0.000 21.497) 27.231 15.477 ( -11.481 0.000 25.659) 28.110 15.584 ( 1.802 0.000 6.563) 6.805 15.767 ( -14.960 0.000 -6.299) 16.232 16.779 ( 32.574 0.000 19.344) 37.885 17.151 ( 26.440 0.000 -1.896) 26.508 17.417 ( -27.671 0.000 13.688) 30.872 17.541 ( 0.921 0.000 2.925) 3.067 18.054 ( -1.337 0.000 2.853) 3.151 18.403 ( -20.943 0.000 9.719) 23.088 18.501 ( 7.457 0.000 12.832) 14.841 18.669 ( -6.146 0.000 19.244) 20.202 19.013 ( 5.279 0.000 3.128) 6.136 19.115 ( -4.454 0.000 2.216) 4.975 20.931 ( 8.776 0.000 -17.169) 19.282 21.115 ( 8.825 0.000 -7.095) 11.324 21.130 ( -10.044 0.000 -18.286) 20.863 21.283 ( -7.143 0.000 -8.052) 10.763 ======================= Grid point 135 (46/120) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 0.000 25.193 33.373) 41.814 1.928 ( 0.000 7.224 40.296) 40.938 3.380 ( 0.000 33.804 53.182) 63.016 3.945 ( 0.000 -7.555 -6.251) 9.805 4.164 ( 0.000 5.475 -7.042) 8.920 4.355 ( 0.000 -6.883 1.631) 7.074 4.837 ( 0.000 -2.736 -1.175) 2.977 5.068 ( 0.000 0.946 -5.187) 5.272 5.258 ( 0.000 -7.745 -10.874) 13.350 5.532 ( 0.000 0.233 -4.999) 5.004 5.975 ( 0.000 -3.981 -25.486) 25.795 6.172 ( 0.000 -6.951 -4.286) 8.166 6.908 ( 0.000 13.115 3.179) 13.494 7.586 ( 0.000 2.047 10.191) 10.395 7.702 ( 0.000 -5.845 -9.262) 10.952 7.711 ( 0.000 -3.429 8.263) 8.946 8.064 ( 0.000 0.487 10.188) 10.199 8.146 ( 0.000 -0.280 23.321) 23.323 8.500 ( 0.000 -7.845 -5.742) 9.722 8.717 ( 0.000 7.187 4.452) 8.454 9.721 ( 0.000 -10.930 -10.647) 15.258 10.052 ( 0.000 2.312 -8.918) 9.213 10.103 ( 0.000 11.069 -16.179) 19.603 10.504 ( 0.000 -19.949 -7.109) 21.178 10.744 ( 0.000 1.780 10.047) 10.203 11.262 ( 0.000 6.834 -6.274) 9.277 11.270 ( 0.000 -6.109 11.663) 13.166 11.498 ( 0.000 -2.659 0.574) 2.721 12.021 ( 0.000 1.557 -11.775) 11.877 12.472 ( 0.000 14.571 12.915) 19.471 12.567 ( 0.000 1.291 14.440) 14.498 12.572 ( 0.000 0.142 2.326) 2.330 12.801 ( 0.000 4.273 3.366) 5.440 13.107 ( 0.000 -3.084 -2.018) 3.686 13.241 ( 0.000 -4.912 9.514) 10.707 13.367 ( 0.000 -0.640 -10.839) 10.858 13.574 ( 0.000 7.713 16.582) 18.288 13.816 ( 0.000 -0.342 -14.428) 14.432 13.863 ( 0.000 -2.998 -5.617) 6.367 13.984 ( 0.000 2.318 -3.326) 4.054 14.536 ( 0.000 13.344 13.774) 19.178 14.739 ( 0.000 1.244 20.847) 20.884 15.144 ( 0.000 -3.788 -33.872) 34.083 15.279 ( 0.000 -0.584 11.499) 11.514 15.385 ( 0.000 -2.890 1.729) 3.368 15.448 ( 0.000 7.248 -15.826) 17.407 16.015 ( 0.000 8.273 -6.652) 10.616 17.074 ( 0.000 -4.186 16.886) 17.397 17.570 ( 0.000 3.788 -30.892) 31.124 17.798 ( 0.000 -9.025 20.082) 22.017 17.824 ( 0.000 3.163 -13.665) 14.026 18.344 ( 0.000 -8.395 -8.752) 12.127 18.511 ( 0.000 -16.657 3.000) 16.925 18.624 ( 0.000 -10.900 9.377) 14.378 19.077 ( 0.000 -13.828 -7.045) 15.519 19.189 ( 0.000 -11.929 -7.926) 14.322 20.832 ( 0.000 15.569 17.868) 23.700 20.909 ( 0.000 14.065 6.819) 15.631 21.590 ( 0.000 1.240 1.761) 2.154 22.099 ( 0.000 2.686 -8.443) 8.860 ======================= Grid point 136 (47/120) ======================= q-point: ( 0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 10.252 23.228 28.784) 38.382 2.173 ( 21.448 4.188 35.324) 41.537 3.672 ( 24.231 27.299 45.737) 58.517 3.975 ( 2.672 -6.810 -3.017) 7.913 4.161 ( 0.286 1.256 -11.069) 11.144 4.318 ( -2.489 -3.172 0.994) 4.153 4.788 ( -5.836 -2.853 -2.504) 6.962 5.062 ( 0.685 1.980 -3.670) 4.226 5.204 ( -5.034 -8.590 -10.774) 14.670 5.463 ( -5.932 -0.136 -4.647) 7.537 5.874 ( -9.447 -1.835 -22.445) 24.421 6.072 ( -8.969 -6.277 -3.062) 11.367 6.958 ( 4.203 13.940 3.177) 14.902 7.308 ( -14.775 3.094 3.855) 15.580 7.668 ( 6.055 3.667 13.202) 14.980 7.861 ( 5.647 -7.463 7.572) 12.038 8.059 ( 1.094 2.099 2.449) 3.406 8.415 ( 20.591 -4.651 13.563) 25.091 8.680 ( 9.821 -9.315 -1.891) 13.667 8.774 ( 4.945 5.565 4.681) 8.794 9.703 ( -1.062 -7.784 -8.191) 11.349 9.873 ( -14.170 2.228 -12.407) 18.965 10.310 ( 14.925 -2.556 -7.239) 16.784 10.526 ( 0.055 -4.440 -7.668) 8.861 10.749 ( -1.149 3.170 5.661) 6.589 11.043 ( -9.681 -7.868 -0.811) 12.502 11.383 ( 1.833 -1.791 8.016) 8.416 11.519 ( 0.163 0.937 0.818) 1.254 12.031 ( 0.825 2.398 -9.334) 9.672 12.343 ( -6.900 11.806 7.886) 15.785 12.485 ( -3.627 3.111 3.283) 5.798 12.568 ( -2.132 -0.497 7.108) 7.438 12.819 ( 1.011 2.450 -0.510) 2.699 13.077 ( -3.112 2.794 -6.517) 7.744 13.202 ( -6.098 -0.070 2.509) 6.594 13.440 ( 6.053 -9.987 2.239) 11.891 13.634 ( 0.027 4.003 -9.873) 10.653 13.843 ( 17.456 6.462 11.617) 21.942 13.973 ( 3.509 1.343 1.143) 3.927 14.113 ( 8.350 -2.581 -10.011) 13.289 14.460 ( -3.189 14.133 6.986) 16.084 14.931 ( 9.604 -2.833 19.026) 21.500 15.065 ( -0.289 1.280 -18.868) 18.914 15.237 ( -3.895 -0.470 -5.729) 6.943 15.418 ( -2.353 -1.678 -9.437) 9.869 15.520 ( 7.067 1.026 7.457) 10.325 16.018 ( 3.519 6.702 -6.647) 10.074 16.952 ( -6.925 -0.686 20.082) 21.254 17.245 ( -20.403 6.902 -24.307) 32.477 18.017 ( 13.776 -7.791 14.234) 21.286 18.046 ( 11.293 1.747 -12.888) 17.225 18.243 ( -2.430 -5.253 1.288) 5.930 18.503 ( 0.638 -20.655 5.636) 21.420 18.826 ( 10.260 -14.485 0.838) 17.770 19.035 ( -5.825 -13.760 -5.283) 15.848 19.118 ( -4.674 -11.052 -8.809) 14.886 20.844 ( 1.331 14.755 14.643) 20.830 20.897 ( -0.814 14.419 4.184) 15.036 21.573 ( -1.603 1.452 0.564) 2.235 21.959 ( -11.632 4.837 -8.188) 15.024 ======================= Grid point 137 (48/120) ======================= q-point: ( 0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 16.759 17.914 17.811) 30.315 2.727 ( 29.364 -1.276 25.317) 38.792 3.988 ( -0.349 -8.860 -2.841) 9.311 4.070 ( 6.348 7.665 16.691) 19.433 4.185 ( -0.977 -1.909 -10.709) 10.921 4.437 ( 13.822 8.457 8.300) 18.206 4.638 ( -3.412 -5.148 -2.596) 6.700 5.031 ( -7.306 -5.244 -1.877) 9.187 5.122 ( 1.375 0.100 -7.296) 7.425 5.310 ( -8.453 -1.312 -5.282) 10.054 5.610 ( -14.854 3.043 -15.715) 21.837 5.852 ( -10.352 -4.927 0.785) 11.492 7.053 ( 4.108 16.176 4.077) 17.180 7.202 ( 5.164 2.905 2.786) 6.547 7.774 ( 3.677 4.565 18.532) 19.437 8.060 ( 11.308 -2.908 0.301) 11.680 8.150 ( 8.273 -1.181 4.041) 9.283 8.731 ( 4.597 -9.904 7.138) 13.045 8.929 ( 9.491 0.241 3.938) 10.279 8.982 ( 24.728 -0.229 8.741) 26.228 9.528 ( -16.663 -0.373 -5.719) 17.621 9.689 ( -0.966 -2.795 -5.412) 6.167 10.344 ( -17.843 6.811 -9.805) 21.469 10.545 ( 4.644 -7.711 -2.927) 9.466 10.734 ( 1.831 5.115 0.987) 5.522 10.975 ( 3.217 -13.710 1.122) 14.127 11.347 ( -7.386 -3.599 13.017) 15.393 11.435 ( -5.255 4.130 1.114) 6.776 12.046 ( -7.264 6.206 -2.995) 10.012 12.170 ( -4.177 9.717 -2.278) 10.820 12.539 ( 7.818 -1.154 -7.090) 10.617 12.609 ( 6.710 -3.353 -5.061) 9.049 12.817 ( -1.041 -1.976 -1.424) 2.649 12.950 ( -6.237 5.135 -17.495) 19.270 13.104 ( -1.817 3.375 3.829) 5.418 13.468 ( 0.476 6.458 0.358) 6.486 13.860 ( 2.767 -9.431 -1.997) 10.029 13.924 ( 10.339 -4.674 2.517) 11.622 14.172 ( 0.135 1.768 -8.414) 8.599 14.363 ( 18.298 9.447 15.612) 25.842 14.478 ( 6.830 15.739 -5.905) 18.145 14.866 ( -8.474 -1.200 -21.117) 22.786 14.980 ( -14.683 -0.325 -8.477) 16.958 15.274 ( -1.832 -10.405 6.692) 12.506 15.508 ( 23.214 0.877 14.238) 27.247 15.714 ( 10.218 4.221 18.063) 21.177 16.210 ( 12.964 -1.686 -4.273) 13.754 16.721 ( -19.136 6.747 -16.884) 26.396 17.006 ( 3.458 9.283 15.443) 18.348 18.100 ( -1.666 -1.453 -1.800) 2.851 18.195 ( 2.025 2.914 0.850) 3.649 18.423 ( 13.398 -12.859 14.394) 23.496 18.526 ( 1.405 -22.483 7.347) 23.695 18.766 ( -15.900 -7.860 -4.052) 18.194 18.960 ( -0.984 -24.735 1.966) 24.833 19.034 ( -4.014 -6.744 -4.577) 9.086 20.884 ( 1.387 14.023 -0.993) 14.126 20.909 ( 3.720 13.251 4.358) 14.437 21.524 ( -3.079 2.084 -2.531) 4.498 21.694 ( -12.600 7.233 -11.310) 18.412 ======================= Grid point 138 (49/120) ======================= q-point: ( 0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 21.056 11.287 5.531) 24.523 3.312 ( 24.868 -6.638 16.364) 30.500 3.908 ( -6.302 -3.278 -6.512) 9.636 4.104 ( -3.627 -5.010 -0.113) 6.186 4.225 ( 5.898 -1.075 -10.653) 12.224 4.357 ( -9.440 -0.390 -1.394) 9.551 4.744 ( 1.118 -6.004 2.020) 6.433 4.849 ( -9.070 -3.235 -1.310) 9.718 5.117 ( -9.543 -1.462 -7.499) 12.224 5.275 ( 4.333 2.200 0.236) 4.865 5.307 ( -6.195 6.083 -3.315) 9.294 5.694 ( -5.037 -6.433 5.964) 10.115 7.158 ( 7.077 14.027 6.909) 17.164 7.483 ( 19.987 4.802 0.003) 20.556 7.789 ( -3.169 8.025 15.106) 17.396 8.260 ( 8.087 2.227 -2.602) 8.782 8.394 ( 13.010 -4.208 10.527) 17.257 8.831 ( 6.737 -2.590 15.691) 17.272 9.083 ( -1.461 -4.884 3.407) 6.131 9.218 ( -3.408 1.208 2.867) 4.614 9.447 ( 7.632 -8.831 -2.867) 12.019 9.779 ( 13.543 4.652 -3.017) 14.634 9.892 ( -19.728 11.388 -12.140) 25.812 10.571 ( -1.292 -11.696 1.815) 11.906 10.794 ( 5.093 5.188 -1.228) 7.373 11.066 ( -2.208 -5.969 2.951) 7.015 11.128 ( -6.261 -1.362 11.516) 13.178 11.333 ( -7.238 -0.521 -1.134) 7.345 11.707 ( -16.316 13.451 -3.056) 21.365 12.106 ( -9.031 4.470 -1.923) 10.258 12.662 ( 3.174 -10.791 -11.165) 15.849 12.799 ( 5.384 -5.896 -11.615) 14.095 12.891 ( 12.332 1.017 -3.486) 12.855 12.913 ( 3.041 6.473 -12.042) 14.006 13.143 ( 5.870 5.379 -3.986) 8.904 13.494 ( 1.761 10.180 -0.633) 10.351 13.759 ( -4.685 -3.014 -8.132) 9.858 14.091 ( -6.071 2.927 -10.221) 12.244 14.238 ( 7.984 -14.439 1.946) 16.613 14.400 ( -16.519 1.676 -9.838) 19.300 14.592 ( 4.710 8.703 -6.705) 11.954 14.775 ( -0.753 8.491 -16.836) 18.872 14.950 ( 18.528 11.911 17.315) 28.017 15.248 ( -1.618 -18.686 14.260) 23.561 15.805 ( 1.014 2.043 12.524) 12.730 16.129 ( 28.474 7.352 23.555) 37.678 16.241 ( -15.278 2.617 -14.310) 21.096 16.629 ( 19.759 2.112 -0.859) 19.890 17.249 ( 17.545 6.076 13.182) 22.771 17.913 ( -16.535 1.299 4.622) 17.218 18.270 ( 5.562 -2.888 8.255) 10.364 18.331 ( -21.140 -7.782 -3.834) 22.851 18.563 ( -1.300 -21.665 8.712) 23.387 18.652 ( 4.794 -11.778 15.186) 19.807 18.789 ( -10.582 -11.929 2.599) 16.156 18.985 ( -2.436 -16.732 3.517) 17.270 20.939 ( 4.415 13.780 -10.855) 18.088 21.028 ( 7.092 9.652 -2.613) 12.258 21.441 ( -6.185 4.663 -9.061) 11.921 21.456 ( -8.928 6.967 -12.535) 16.893 ======================= Grid point 139 (50/120) ======================= q-point: ( 0.44 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 22.679 5.219 -3.447) 23.526 3.576 ( -10.898 -3.641 -2.491) 11.757 3.809 ( 6.886 -5.032 1.177) 8.610 3.982 ( -7.317 -10.865 -0.177) 13.100 4.262 ( 1.399 -0.764 -5.058) 5.303 4.311 ( 0.265 1.361 -7.825) 7.947 4.711 ( -2.073 -7.235 0.068) 7.526 4.733 ( -1.700 -2.196 1.439) 3.128 4.971 ( -2.389 3.088 -7.822) 8.742 5.050 ( -8.886 6.095 -7.499) 13.128 5.485 ( 6.748 -5.838 10.060) 13.447 5.600 ( -4.680 -8.524 9.236) 13.412 7.357 ( 11.723 13.131 8.822) 19.690 7.612 ( -11.234 10.973 11.429) 19.423 7.972 ( 22.441 4.188 -0.355) 22.831 8.309 ( -6.767 1.911 3.055) 7.667 8.651 ( 11.286 -3.218 12.111) 16.865 8.871 ( -10.041 -3.346 9.614) 14.298 9.050 ( 12.881 3.293 9.736) 16.479 9.308 ( 3.445 -2.282 2.871) 5.032 9.402 ( -12.296 4.154 -13.888) 19.009 9.455 ( -8.993 2.192 -2.992) 9.728 10.293 ( 23.648 -1.750 -6.969) 24.715 10.547 ( -1.152 -9.195 3.488) 9.901 10.847 ( -6.564 0.367 6.932) 9.554 10.926 ( -3.764 0.172 -1.107) 3.928 11.022 ( -6.221 8.867 -5.276) 12.048 11.128 ( -6.321 -1.841 -0.571) 6.609 11.607 ( 5.945 9.822 4.895) 12.481 11.834 ( -14.062 4.816 5.015) 15.687 12.738 ( 4.268 -11.031 -10.574) 15.865 12.815 ( -2.290 -8.462 -10.567) 13.730 13.016 ( 5.176 3.151 -11.308) 12.830 13.081 ( 1.049 3.066 -11.095) 11.559 13.382 ( 16.576 -0.191 -8.479) 18.620 13.551 ( 3.134 9.574 -3.705) 10.733 13.724 ( -0.040 12.862 -7.033) 14.659 13.877 ( -16.729 0.061 -11.130) 20.093 14.065 ( -1.485 -2.516 -11.934) 12.287 14.215 ( -11.074 -9.807 -16.605) 22.238 14.751 ( 11.032 -6.212 11.370) 17.017 14.892 ( 1.724 6.815 1.098) 7.115 15.207 ( 5.069 -2.149 9.121) 10.654 15.286 ( 4.999 5.369 9.307) 11.850 15.739 ( -1.830 6.771 6.373) 9.477 15.894 ( -13.432 7.956 1.712) 15.705 16.803 ( 31.910 2.827 19.250) 37.374 17.138 ( 25.338 -1.118 0.637) 25.371 17.436 ( -23.626 2.039 12.483) 26.799 17.582 ( -2.863 3.913 3.910) 6.229 17.953 ( -2.024 -9.877 3.051) 10.534 18.277 ( -17.030 -13.200 8.703) 23.238 18.452 ( 3.730 -5.058 10.197) 11.978 18.569 ( -5.043 -10.626 14.187) 18.428 18.818 ( 5.135 -16.282 7.749) 18.749 18.916 ( -4.100 -17.719 5.398) 18.971 21.067 ( 7.511 11.815 -15.827) 21.131 21.181 ( 6.104 6.806 -8.559) 12.523 21.251 ( -7.744 9.871 -16.319) 20.584 21.334 ( -6.177 4.737 -8.314) 11.389 ======================= Grid point 144 (51/120) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 0.000 24.516 22.540) 33.303 2.505 ( 0.000 34.106 22.221) 40.706 3.714 ( 0.000 -16.244 -7.974) 18.096 4.045 ( 0.000 23.069 24.935) 33.969 4.149 ( 0.000 -8.138 9.445) 12.467 4.303 ( 0.000 7.719 -4.248) 8.811 4.796 ( 0.000 -0.163 -2.622) 2.627 5.084 ( 0.000 1.179 -11.984) 12.042 5.200 ( 0.000 1.953 -4.597) 4.994 5.462 ( 0.000 -5.081 -1.511) 5.301 5.856 ( 0.000 -8.475 -21.120) 22.757 5.991 ( 0.000 -11.303 -5.564) 12.599 7.142 ( 0.000 9.317 7.942) 12.243 7.581 ( 0.000 -4.208 9.259) 10.170 7.674 ( 0.000 3.824 -13.481) 14.012 7.681 ( 0.000 1.873 15.201) 15.316 7.965 ( 0.000 -8.256 13.761) 16.047 8.103 ( 0.000 -4.611 13.708) 14.463 8.513 ( 0.000 8.572 -2.336) 8.884 8.918 ( 0.000 13.363 4.205) 14.009 9.455 ( 0.000 -16.403 -4.070) 16.901 10.050 ( 0.000 -15.324 -5.673) 16.340 10.138 ( 0.000 -4.585 -9.330) 10.395 10.252 ( 0.000 1.862 -12.682) 12.818 10.832 ( 0.000 9.972 -1.421) 10.072 11.235 ( 0.000 1.830 15.204) 15.314 11.322 ( 0.000 0.045 8.143) 8.143 11.446 ( 0.000 -3.379 -11.296) 11.790 12.102 ( 0.000 7.505 -10.883) 13.220 12.581 ( 0.000 1.637 2.911) 3.340 12.629 ( 0.000 4.226 11.478) 12.231 12.778 ( 0.000 14.665 14.881) 20.893 12.810 ( 0.000 -4.026 4.596) 6.110 13.043 ( 0.000 -2.713 -3.009) 4.052 13.176 ( 0.000 -1.596 1.961) 2.528 13.265 ( 0.000 -7.979 -10.111) 12.880 13.605 ( 0.000 -4.810 -1.148) 4.945 13.766 ( 0.000 -5.052 -7.433) 8.988 13.902 ( 0.000 7.749 10.319) 12.905 14.108 ( 0.000 8.002 -1.950) 8.237 14.695 ( 0.000 0.749 17.109) 17.126 14.773 ( 0.000 1.398 19.748) 19.797 15.061 ( 0.000 -3.453 -29.286) 29.488 15.252 ( 0.000 -3.386 -9.759) 10.330 15.533 ( 0.000 21.475 12.101) 24.650 15.623 ( 0.000 10.164 -15.063) 18.171 16.123 ( 0.000 0.930 -8.708) 8.758 17.017 ( 0.000 0.609 20.513) 20.522 17.479 ( 0.000 -25.065 14.004) 28.711 17.617 ( 0.000 -3.362 -15.952) 16.302 17.905 ( 0.000 4.764 -14.152) 14.932 18.023 ( 0.000 -12.797 -1.644) 12.903 18.347 ( 0.000 -4.487 -7.334) 8.597 18.401 ( 0.000 -9.536 13.878) 16.839 18.851 ( 0.000 -9.331 -13.940) 16.775 18.938 ( 0.000 -12.414 -3.607) 12.927 21.190 ( 0.000 19.892 10.817) 22.643 21.205 ( 0.000 14.791 4.951) 15.597 21.609 ( 0.000 0.199 1.942) 1.952 22.073 ( 0.000 -5.864 -5.806) 8.252 ======================= Grid point 145 (52/120) ======================= q-point: ( 0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 14.184 19.494 22.449) 32.942 2.577 ( 6.400 32.058 20.016) 38.332 3.740 ( 2.204 -15.403 -6.212) 16.754 4.095 ( -2.427 -12.044 -0.766) 12.310 4.204 ( 7.112 16.095 15.888) 23.707 4.292 ( 2.640 7.289 5.227) 9.350 4.751 ( -4.685 0.102 -3.366) 5.770 5.088 ( -1.511 -0.151 -9.966) 10.081 5.145 ( -2.274 4.498 -3.231) 5.987 5.405 ( -4.910 -3.122 -2.131) 6.196 5.801 ( -5.315 -5.952 -18.978) 20.587 5.920 ( -6.633 -9.294 -4.818) 12.393 7.180 ( 3.080 7.494 8.686) 11.878 7.463 ( -4.520 10.799 -1.996) 11.875 7.724 ( 1.570 -4.332 9.323) 10.400 7.762 ( 10.022 5.288 13.000) 17.245 8.070 ( 0.845 -1.173 1.865) 2.360 8.212 ( 16.269 -12.307 11.635) 23.484 8.642 ( 10.827 3.985 4.921) 12.543 8.942 ( 1.964 11.459 4.026) 12.304 9.476 ( 2.045 -15.728 -2.846) 16.113 9.818 ( -15.086 -9.142 -6.355) 18.750 10.213 ( 5.668 -4.360 -8.940) 11.448 10.456 ( 12.101 -7.039 -6.704) 15.522 10.842 ( 0.426 11.705 -2.544) 11.985 11.047 ( -13.539 5.661 2.779) 14.935 11.309 ( -1.926 -4.358 10.228) 11.283 11.515 ( 2.262 -2.601 -5.079) 6.138 12.118 ( 0.994 6.792 -6.995) 9.800 12.489 ( -4.007 1.920 -1.774) 4.784 12.544 ( -3.759 3.157 7.468) 8.937 12.667 ( -9.852 10.014 9.033) 16.701 12.813 ( -0.760 -3.062 0.991) 3.307 13.137 ( -5.137 -3.327 -14.436) 15.680 13.177 ( 0.422 0.655 0.051) 0.781 13.243 ( 10.647 -5.427 5.248) 13.052 13.667 ( 4.366 -0.720 -6.238) 7.648 13.952 ( 11.237 3.507 2.979) 12.142 14.028 ( 6.429 -3.226 -1.961) 7.455 14.128 ( 8.369 10.456 9.246) 16.275 14.646 ( -2.156 1.923 3.033) 4.188 14.869 ( 5.456 -2.268 23.246) 23.985 15.049 ( -1.597 -1.176 -24.023) 24.105 15.246 ( 1.810 -1.423 -8.128) 8.448 15.524 ( -8.587 10.939 -12.196) 18.497 15.637 ( 7.735 16.004 12.176) 21.546 16.054 ( -3.365 -4.122 -4.478) 6.954 17.012 ( 1.225 7.817 19.546) 21.086 17.403 ( -14.293 7.251 -18.148) 24.212 17.654 ( 11.302 -28.996 7.527) 32.018 17.982 ( 6.147 -15.568 10.935) 19.992 18.095 ( 2.604 -1.167 -15.313) 15.577 18.288 ( -0.679 -0.890 0.335) 1.169 18.461 ( 2.031 -16.767 6.997) 18.281 18.829 ( -6.797 -9.626 -4.667) 12.674 18.901 ( 0.144 -9.905 -9.091) 13.445 21.184 ( -0.427 18.683 7.794) 20.248 21.198 ( -0.344 15.138 3.309) 15.499 21.597 ( -1.115 0.506 0.691) 1.406 21.981 ( -8.013 -3.416 -6.834) 11.072 ======================= Grid point 146 (53/120) ======================= q-point: ( 0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 11.468 20.276 18.639) 29.834 2.820 ( 20.246 15.308 15.518) 29.750 3.781 ( 1.169 -13.385 -2.063) 13.593 4.077 ( 2.135 -6.452 -7.201) 9.901 4.137 ( -6.480 -2.859 -4.151) 8.209 4.443 ( -2.125 -10.674 2.698) 11.213 4.624 ( -3.707 5.455 3.107) 7.290 4.991 ( -5.155 -0.369 -0.853) 5.238 5.201 ( 4.384 7.105 -6.987) 10.887 5.280 ( -5.546 2.014 -0.274) 5.907 5.639 ( -9.987 -0.706 -14.225) 17.396 5.738 ( -9.709 -6.383 -1.917) 11.776 7.290 ( 8.456 6.470 5.414) 11.944 7.451 ( 2.782 22.445 2.003) 22.705 7.802 ( 7.030 -4.316 20.250) 21.865 8.042 ( 13.871 2.525 6.137) 15.377 8.145 ( 6.902 1.626 -1.223) 7.195 8.533 ( 13.552 -8.828 11.241) 19.696 8.960 ( 18.492 -0.641 8.958) 20.557 8.986 ( 2.420 4.778 2.613) 5.959 9.471 ( -13.421 -6.322 -1.555) 14.917 9.573 ( 3.810 -10.148 -1.493) 10.942 10.297 ( 1.745 -6.983 -6.930) 9.992 10.657 ( -17.339 15.901 -6.842) 24.500 10.689 ( 7.563 -12.268 0.952) 14.444 10.899 ( 1.547 7.980 -1.863) 8.339 11.259 ( -3.465 -5.145 6.579) 9.042 11.444 ( -7.894 -2.355 -0.112) 8.239 12.155 ( 0.427 5.058 -6.697) 8.403 12.379 ( -13.011 8.337 -3.184) 15.778 12.466 ( 0.500 -3.389 -6.934) 7.735 12.597 ( 5.448 -0.503 -3.436) 6.461 12.802 ( 0.934 2.469 0.258) 2.652 13.024 ( -1.476 1.281 -10.270) 10.454 13.211 ( 1.059 6.748 0.999) 6.903 13.476 ( 8.056 -4.521 6.654) 11.385 13.717 ( 0.482 -4.224 -4.133) 5.929 14.000 ( 2.267 10.632 -5.531) 12.197 14.172 ( 3.003 -4.542 -0.925) 5.523 14.487 ( 16.370 4.286 12.874) 21.263 14.619 ( -0.555 -2.766 -12.714) 13.023 14.933 ( -4.399 -3.224 -1.400) 5.631 14.981 ( 4.119 12.338 2.523) 13.250 15.228 ( -13.424 5.540 -11.909) 18.781 15.454 ( 13.497 -5.451 2.341) 14.743 15.894 ( 16.484 16.522 19.689) 30.535 16.090 ( 6.815 -10.123 2.814) 12.523 16.935 ( -12.130 14.091 -10.653) 21.428 17.252 ( 3.793 15.187 10.605) 18.908 17.846 ( 7.064 -36.599 4.070) 37.496 18.019 ( -3.569 -9.404 -3.795) 10.751 18.209 ( 8.393 -9.711 7.747) 14.992 18.303 ( 0.250 0.350 3.813) 3.837 18.460 ( -2.527 -21.011 7.401) 22.419 18.595 ( -13.632 -8.485 -0.227) 16.059 18.879 ( -3.985 -8.858 -2.987) 10.161 21.183 ( 0.617 15.522 -1.061) 15.570 21.205 ( 1.248 15.446 0.092) 15.496 21.563 ( -2.101 1.393 -2.537) 3.577 21.785 ( -9.825 0.912 -10.199) 14.191 ======================= Grid point 147 (54/120) ======================= q-point: ( 0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.983 ( 13.802 15.770 8.090) 22.465 3.247 ( 18.016 1.824 12.909) 22.238 3.789 ( -0.561 -7.979 -2.465) 8.370 4.018 ( -4.136 -4.845 -7.997) 10.225 4.137 ( -4.915 -7.192 -4.701) 9.898 4.261 ( -1.312 -9.909 -7.642) 12.582 4.568 ( -4.466 -5.603 5.705) 9.159 4.866 ( -7.180 -2.898 1.007) 7.808 5.111 ( -6.174 3.708 -5.373) 8.986 5.330 ( 1.081 3.243 -0.859) 3.525 5.405 ( -10.071 3.495 -7.498) 13.033 5.558 ( -7.275 -6.775 1.400) 10.039 7.472 ( 7.802 14.946 5.596) 17.765 7.657 ( 17.281 14.000 6.010) 23.038 7.941 ( 3.393 5.815 17.544) 18.791 8.269 ( 9.546 -6.448 6.085) 13.028 8.362 ( 11.143 7.100 2.312) 13.414 8.805 ( 12.819 0.215 13.855) 18.877 8.997 ( -2.845 -3.377 1.910) 4.812 9.197 ( -6.948 -3.535 2.304) 8.129 9.299 ( 9.393 -5.494 0.479) 10.892 9.806 ( 17.257 -4.411 -0.999) 17.840 10.152 ( -20.261 13.079 -12.787) 27.296 10.376 ( -0.611 -4.634 -1.503) 4.910 10.849 ( 5.801 -2.773 -1.809) 6.680 10.949 ( 1.570 -3.598 2.415) 4.609 11.117 ( -9.221 0.368 10.165) 13.730 11.287 ( -6.801 -3.013 -8.235) 11.097 11.969 ( -11.804 11.864 -5.416) 17.590 12.236 ( -7.667 8.087 -2.474) 11.415 12.458 ( 0.173 -9.313 -9.626) 13.395 12.673 ( 1.119 -6.573 -8.423) 10.742 12.960 ( 13.217 6.315 -1.856) 14.766 13.060 ( 3.702 7.619 -6.904) 10.928 13.259 ( 3.888 6.146 -3.854) 8.231 13.506 ( -1.427 -5.869 -3.217) 6.843 13.781 ( 4.834 -1.895 -1.768) 5.485 14.060 ( -0.483 0.755 -7.660) 7.712 14.142 ( -5.388 -1.770 4.466) 7.218 14.501 ( -3.837 -6.181 -8.630) 11.287 14.537 ( -10.612 9.570 -13.884) 19.924 14.954 ( -6.481 -6.538 2.547) 9.551 15.122 ( 16.385 6.508 18.170) 25.317 15.209 ( 12.895 23.166 -6.652) 27.335 15.702 ( 7.811 -11.188 5.198) 14.602 16.244 ( 1.061 -2.356 -5.127) 5.741 16.330 ( 25.120 13.278 22.019) 35.946 16.749 ( 2.659 10.090 -3.405) 10.976 17.414 ( 9.673 9.011 12.235) 18.013 17.877 ( -10.068 -8.665 -0.655) 13.299 17.966 ( 2.613 -31.746 3.696) 32.068 18.163 ( -19.193 -8.031 -0.086) 20.806 18.216 ( -4.844 -4.650 5.657) 8.780 18.403 ( 2.626 -13.853 13.228) 19.333 18.479 ( 1.097 -13.945 13.415) 19.381 18.730 ( -9.427 -10.522 5.057) 15.005 21.219 ( 2.921 13.497 -8.947) 16.455 21.256 ( 3.560 12.449 -5.383) 14.022 21.510 ( -3.022 2.914 -6.359) 7.620 21.593 ( -8.388 4.615 -13.817) 16.810 ======================= Grid point 148 (55/120) ======================= q-point: ( 0.44 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.296 ( 15.378 7.436 0.246) 17.083 3.488 ( 2.573 -3.459 4.349) 6.124 3.740 ( -2.929 -4.453 -5.027) 7.326 3.814 ( -11.241 -5.706 -3.228) 13.013 4.137 ( 8.307 -7.538 -2.256) 11.442 4.314 ( -4.651 -0.612 -6.143) 7.729 4.522 ( 5.284 -10.691 4.842) 12.871 4.697 ( -8.833 -5.573 1.975) 10.629 5.049 ( 1.012 5.493 -5.066) 7.541 5.156 ( -8.798 4.997 -6.340) 11.941 5.379 ( 0.972 -4.559 2.143) 5.131 5.433 ( -4.485 -7.435 3.182) 9.248 7.661 ( 10.267 16.538 9.866) 21.823 7.860 ( -6.652 13.111 14.434) 20.603 8.076 ( 16.850 5.610 5.219) 18.510 8.339 ( -5.626 -0.643 10.842) 12.232 8.602 ( 11.600 0.553 6.019) 13.080 8.813 ( -9.258 -1.773 5.063) 10.700 9.096 ( 12.062 -1.626 4.901) 13.121 9.211 ( 2.388 -8.123 3.945) 9.341 9.408 ( 4.751 4.367 -5.277) 8.336 9.675 ( -19.713 15.440 -13.098) 28.258 10.240 ( 17.635 -6.668 -7.670) 20.354 10.413 ( 1.180 -3.668 -1.783) 4.246 10.838 ( -7.040 -6.506 0.927) 9.631 10.859 ( -6.689 1.139 -1.516) 6.953 11.075 ( 4.117 -3.995 6.013) 8.310 11.159 ( -4.339 3.785 -2.805) 6.405 11.851 ( 1.229 13.724 -0.895) 13.808 11.999 ( -11.629 11.641 2.755) 16.683 12.519 ( 4.991 -10.780 -10.107) 15.597 12.633 ( -4.774 -9.442 -9.000) 13.890 13.132 ( 2.864 7.565 -7.173) 10.811 13.163 ( 1.643 5.454 -6.048) 8.308 13.409 ( 14.022 2.823 -7.289) 16.053 13.617 ( 11.800 -4.056 -8.017) 14.832 13.738 ( -12.645 -2.419 -9.278) 15.869 13.899 ( -12.140 -7.562 -9.207) 17.010 14.086 ( 4.794 7.168 2.351) 8.938 14.279 ( -11.733 5.947 -10.192) 16.640 14.592 ( 9.222 -0.064 5.168) 10.572 14.792 ( -8.969 -4.760 6.631) 12.127 15.424 ( 11.276 9.439 10.806) 18.249 15.493 ( 8.279 11.982 -0.299) 14.567 15.801 ( 5.517 0.522 3.151) 6.375 16.045 ( -14.554 12.589 -11.643) 22.491 16.896 ( 27.349 5.752 17.796) 33.132 17.090 ( 21.300 -5.503 4.852) 22.528 17.476 ( -14.639 -0.501 9.195) 17.294 17.660 ( -15.513 0.461 2.942) 15.796 17.731 ( -1.721 -8.041 9.142) 12.297 17.914 ( -8.131 -20.613 4.293) 22.571 18.229 ( 5.452 -16.330 7.325) 18.710 18.368 ( -5.892 -7.103 6.976) 11.569 18.524 ( 1.671 -13.704 16.690) 21.659 18.566 ( -4.129 -15.807 12.744) 20.720 21.303 ( 5.016 11.055 -13.602) 18.232 21.341 ( 4.060 8.640 -9.317) 13.340 21.434 ( -5.302 6.902 -12.502) 15.233 21.440 ( -4.891 6.150 -11.517) 13.943 ======================= Grid point 153 (56/120) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 0.000 28.932 7.479) 29.883 3.162 ( 0.000 31.966 13.792) 34.815 3.318 ( 0.000 -23.936 -2.095) 24.028 3.728 ( 0.000 -25.136 7.915) 26.353 4.414 ( 0.000 5.303 -0.570) 5.334 4.415 ( 0.000 3.235 -8.675) 9.258 4.879 ( 0.000 8.928 0.208) 8.931 5.085 ( 0.000 -9.302 -0.407) 9.311 5.312 ( 0.000 16.583 -4.393) 17.155 5.504 ( 0.000 9.722 -5.006) 10.935 5.639 ( 0.000 -14.166 -14.206) 20.062 5.745 ( 0.000 -13.665 -4.761) 14.470 7.301 ( 0.000 8.303 12.953) 15.386 7.462 ( 0.000 -7.596 11.821) 14.051 7.735 ( 0.000 3.072 20.141) 20.374 7.780 ( 0.000 2.409 3.028) 3.870 7.849 ( 0.000 -0.078 3.076) 3.077 7.972 ( 0.000 -8.087 -1.243) 8.182 8.761 ( 0.000 15.899 1.296) 15.952 9.094 ( 0.000 -16.294 2.043) 16.422 9.243 ( 0.000 16.388 2.231) 16.539 9.633 ( 0.000 -21.859 -0.821) 21.874 10.167 ( 0.000 2.403 -11.609) 11.855 10.219 ( 0.000 -2.985 -10.994) 11.392 11.093 ( 0.000 13.939 -9.029) 16.607 11.284 ( 0.000 2.520 11.463) 11.736 11.289 ( 0.000 -4.387 11.266) 12.090 11.348 ( 0.000 -5.653 -13.017) 14.192 12.322 ( 0.000 14.679 -6.929) 16.232 12.619 ( 0.000 -13.434 -0.121) 13.434 12.634 ( 0.000 3.470 6.341) 7.229 12.685 ( 0.000 -1.196 8.826) 8.907 12.978 ( 0.000 4.869 13.271) 14.136 13.014 ( 0.000 -0.653 3.065) 3.134 13.164 ( 0.000 -0.929 -10.407) 10.448 13.175 ( 0.000 0.290 -6.054) 6.061 13.528 ( 0.000 0.306 -5.950) 5.958 13.633 ( 0.000 -7.919 -2.463) 8.293 14.076 ( 0.000 8.806 16.887) 19.045 14.191 ( 0.000 -1.256 10.486) 10.561 14.673 ( 0.000 0.652 4.129) 4.181 14.742 ( 0.000 -4.462 1.801) 4.811 15.068 ( 0.000 4.121 -8.962) 9.864 15.168 ( 0.000 -5.138 -4.468) 6.809 15.827 ( 0.000 10.637 -13.836) 17.452 16.008 ( 0.000 -2.310 -7.636) 7.977 16.138 ( 0.000 28.872 3.660) 29.103 16.842 ( 0.000 -37.219 7.479) 37.963 17.141 ( 0.000 11.412 20.254) 23.247 17.407 ( 0.000 -14.645 14.265) 20.445 17.984 ( 0.000 2.626 -17.235) 17.434 17.986 ( 0.000 2.789 -16.011) 16.252 18.278 ( 0.000 -2.138 -5.519) 5.919 18.284 ( 0.000 -2.878 4.379) 5.240 18.720 ( 0.000 -3.399 -10.975) 11.489 18.748 ( 0.000 -6.282 -4.262) 7.592 21.446 ( 0.000 9.718 3.529) 10.339 21.567 ( 0.000 18.340 4.801) 18.958 21.577 ( 0.000 -3.894 2.527) 4.642 21.881 ( 0.000 -13.504 -0.687) 13.522 ======================= Grid point 154 (57/120) ======================= q-point: ( 0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( 6.943 25.938 8.903) 28.289 3.191 ( 2.537 28.271 11.686) 30.696 3.365 ( 4.388 -20.825 0.080) 21.283 3.737 ( 1.135 -23.671 6.221) 24.501 4.328 ( -7.027 4.469 -7.856) 11.449 4.401 ( -3.369 -1.800 -3.932) 5.482 4.837 ( -3.825 8.291 0.494) 9.144 5.022 ( -5.500 -9.113 0.528) 10.657 5.348 ( 3.311 16.353 -6.375) 17.862 5.476 ( -2.624 9.235 -4.656) 10.670 5.638 ( -0.951 -10.674 -13.786) 17.461 5.712 ( -3.174 -12.001 -4.090) 13.071 7.319 ( 2.536 7.837 12.793) 15.215 7.475 ( 3.487 -7.180 13.387) 15.586 7.812 ( 1.892 9.898 -3.113) 10.547 7.882 ( 10.201 6.137 10.271) 15.723 8.002 ( 4.479 -6.555 2.647) 8.369 8.014 ( 15.891 -7.311 14.085) 22.458 8.804 ( 4.843 12.898 4.123) 14.381 9.114 ( 2.204 -15.575 3.052) 16.024 9.225 ( -1.762 12.918 2.172) 13.218 9.546 ( -7.722 -16.951 -0.742) 18.641 10.203 ( 3.208 2.897 -9.837) 10.745 10.303 ( 6.660 -7.073 -7.357) 12.186 11.101 ( -1.562 9.716 -2.608) 10.180 11.190 ( -4.160 7.852 -5.142) 10.266 11.230 ( -5.905 -1.591 10.120) 11.824 11.409 ( 1.821 -8.472 -7.059) 11.177 12.300 ( -2.873 11.614 -3.115) 12.363 12.491 ( -8.264 -4.207 4.359) 10.247 12.579 ( -2.431 1.988 2.077) 3.765 12.681 ( -1.541 -8.090 -0.555) 8.254 12.857 ( -5.989 7.648 0.759) 9.744 12.983 ( -5.274 -6.276 -8.020) 11.468 13.218 ( 6.466 1.398 -0.460) 6.631 13.245 ( 8.594 0.662 2.537) 8.985 13.683 ( 8.260 4.476 -4.058) 10.233 13.833 ( 11.878 -9.246 -2.035) 15.190 14.138 ( 4.634 8.042 11.021) 14.409 14.247 ( 7.063 -0.666 12.905) 14.726 14.644 ( -1.781 2.847 -4.370) 5.511 14.769 ( 2.927 -7.785 3.658) 9.086 15.105 ( 2.837 5.210 -4.213) 7.277 15.193 ( 2.154 -3.569 -3.511) 5.450 15.700 ( -10.041 9.170 -9.861) 16.798 15.895 ( -8.292 -10.407 -4.906) 14.182 16.182 ( 5.725 35.250 7.860) 36.566 16.910 ( 4.796 -37.525 5.841) 38.279 17.256 ( 9.777 13.316 17.729) 24.233 17.509 ( 5.804 -7.492 4.837) 10.640 17.787 ( -8.334 2.461 -4.286) 9.689 17.970 ( -6.440 -11.329 -14.722) 19.661 18.295 ( -0.387 0.829 3.812) 3.920 18.318 ( 2.819 -0.497 -3.828) 4.780 18.692 ( -4.795 -2.677 -3.674) 6.607 18.741 ( 0.474 -6.438 -8.518) 10.688 21.439 ( -0.644 9.580 1.760) 9.762 21.530 ( -2.506 11.595 2.210) 12.067 21.582 ( -0.287 1.822 1.570) 2.423 21.830 ( -4.470 -11.660 -2.426) 12.721 ======================= Grid point 155 (58/120) ======================= q-point: ( 0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( 9.342 17.818 11.642) 23.244 3.264 ( 4.565 16.625 5.241) 18.020 3.491 ( 7.584 -9.305 5.912) 13.380 3.804 ( 5.967 -20.435 2.667) 21.454 4.140 ( -10.082 3.191 -9.082) 13.940 4.249 ( -10.876 -7.988 -6.925) 15.167 4.730 ( -6.288 6.556 0.996) 9.138 4.885 ( -7.259 -8.653 0.738) 11.318 5.368 ( -4.467 9.326 -8.502) 13.387 5.430 ( -0.399 8.444 -3.662) 9.213 5.567 ( -5.499 -5.718 -8.992) 11.991 5.617 ( -6.170 -6.174 -4.754) 9.940 7.446 ( 10.102 9.474 9.838) 16.988 7.640 ( 11.513 -9.758 14.987) 21.269 7.848 ( 3.520 15.581 1.561) 16.050 8.039 ( 5.408 -4.461 0.606) 7.037 8.264 ( 16.997 8.650 10.506) 21.774 8.400 ( 19.524 -5.697 13.383) 24.347 8.991 ( 12.809 6.221 6.911) 15.829 9.123 ( -4.570 7.422 2.536) 9.078 9.251 ( 7.452 -14.370 3.963) 16.665 9.342 ( -10.126 -11.100 0.374) 15.029 10.279 ( 3.714 4.960 -6.087) 8.686 10.447 ( 5.918 -11.378 -2.679) 13.102 10.940 ( -12.497 10.698 -2.465) 16.634 11.058 ( -8.607 2.520 3.026) 9.465 11.190 ( 1.076 3.159 -7.522) 8.229 11.351 ( -6.722 -7.495 -4.482) 11.020 12.252 ( -1.682 5.399 -5.323) 7.766 12.360 ( -5.931 -4.984 -5.644) 9.585 12.518 ( -6.277 3.111 -7.095) 9.970 12.563 ( -0.903 -1.979 -6.420) 6.778 12.904 ( 7.283 6.235 1.874) 9.769 13.003 ( 6.408 -3.350 1.048) 7.306 13.308 ( 2.129 3.992 -0.573) 4.561 13.396 ( 3.462 -4.285 -0.855) 5.574 13.750 ( -0.402 8.446 -0.841) 8.497 13.981 ( 1.955 -13.084 4.151) 13.865 14.218 ( 2.316 10.720 -1.923) 11.135 14.410 ( 2.478 -8.967 -2.735) 9.697 14.708 ( 10.164 9.530 0.253) 13.936 14.864 ( 5.889 -5.131 1.475) 7.948 15.132 ( -2.074 4.116 -1.745) 4.928 15.223 ( 0.517 -6.216 -5.078) 8.043 15.562 ( 2.061 15.047 0.238) 15.189 15.850 ( 5.935 -13.899 5.106) 15.952 16.365 ( 11.709 31.166 11.647) 35.272 17.024 ( 6.353 -29.961 6.188) 31.246 17.317 ( -10.318 10.600 -10.562) 18.177 17.585 ( 10.152 13.437 11.652) 20.479 17.694 ( -8.516 -17.610 -5.028) 20.197 17.933 ( 7.253 -16.683 10.940) 21.228 18.259 ( -3.270 -0.697 6.669) 7.460 18.308 ( -4.734 -3.761 0.537) 6.070 18.552 ( -8.159 4.999 -0.578) 9.586 18.702 ( -4.883 -9.039 -2.191) 10.504 21.426 ( -0.405 9.027 -2.849) 9.475 21.481 ( -1.781 10.036 -2.765) 10.561 21.567 ( -1.117 0.769 -2.412) 2.767 21.719 ( -5.638 -7.443 -6.706) 11.496 ======================= Grid point 156 (59/120) ======================= q-point: ( 0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( 8.600 10.447 9.166) 16.344 3.370 ( 5.170 2.383 1.435) 5.870 3.670 ( 6.848 2.694 7.814) 10.734 3.912 ( -3.625 -11.738 4.530) 13.094 3.989 ( -6.932 -3.728 -11.841) 14.218 4.042 ( 5.193 -7.251 -7.441) 11.615 4.577 ( -8.436 5.080 1.523) 9.964 4.723 ( -8.333 -9.042 1.120) 12.347 5.243 ( -6.028 7.758 -4.981) 11.015 5.360 ( -5.725 -2.343 -6.037) 8.643 5.442 ( -7.593 0.546 -6.680) 10.127 5.455 ( -7.578 -2.377 -1.468) 8.077 7.709 ( 13.442 10.759 8.118) 19.035 7.867 ( 9.642 -1.559 13.996) 17.067 8.021 ( 11.551 7.640 10.984) 17.676 8.155 ( 5.544 -5.070 5.911) 9.559 8.564 ( 10.637 12.592 6.668) 17.781 8.774 ( 14.487 -6.600 11.039) 19.372 8.988 ( -7.330 3.595 -0.472) 8.178 9.095 ( -8.446 -6.186 1.396) 10.562 9.300 ( 14.907 7.506 2.320) 16.850 9.569 ( 19.408 -17.019 1.085) 25.835 10.335 ( -2.266 7.519 -8.339) 11.455 10.418 ( -9.462 1.844 -6.689) 11.734 10.772 ( 2.145 -0.464 1.378) 2.591 10.861 ( -9.602 -6.588 -0.444) 11.653 11.161 ( -5.834 4.055 0.306) 7.111 11.237 ( -2.546 -2.940 -7.444) 8.398 12.150 ( -6.295 7.289 -7.462) 12.183 12.279 ( -0.578 -6.171 -9.782) 11.581 12.419 ( -6.400 7.010 -3.105) 9.987 12.551 ( -1.922 -6.236 -6.930) 9.519 13.112 ( 11.691 7.800 0.221) 14.056 13.171 ( 8.562 2.749 -0.857) 9.033 13.340 ( 2.084 1.275 -2.183) 3.276 13.390 ( -1.435 -5.069 -6.170) 8.113 13.748 ( 0.679 4.252 -1.067) 4.436 13.948 ( -3.841 -13.156 6.437) 15.142 14.185 ( -6.591 6.907 -6.544) 11.575 14.336 ( -7.623 -8.391 -10.185) 15.240 14.857 ( 3.075 18.743 -3.322) 19.282 14.998 ( -1.296 9.892 -1.853) 10.147 15.115 ( 11.055 -6.240 9.981) 16.148 15.307 ( 5.341 -17.916 -0.170) 18.696 15.775 ( 15.687 21.930 -0.807) 26.975 16.119 ( 17.596 -11.807 3.754) 21.520 16.666 ( 16.477 22.082 14.952) 31.347 17.022 ( -13.492 17.234 -10.887) 24.445 17.200 ( 8.709 -28.101 8.928) 30.745 17.471 ( -10.817 -24.372 -7.213) 27.623 17.822 ( 10.647 12.793 14.224) 21.894 18.064 ( -5.530 -4.224 9.911) 12.110 18.127 ( -10.403 -3.824 9.100) 14.341 18.151 ( -1.313 -12.474 13.904) 18.726 18.394 ( -5.597 4.596 5.141) 8.882 18.539 ( -10.155 -9.127 4.700) 14.440 21.430 ( 0.900 7.602 -8.245) 11.250 21.463 ( 0.046 7.190 -8.006) 10.761 21.540 ( -1.412 0.772 -6.941) 7.126 21.610 ( -4.612 -2.791 -10.935) 12.192 ======================= Grid point 157 (60/120) ======================= q-point: ( 0.44 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.420 ( 9.231 5.107 3.638) 11.159 3.478 ( 4.812 0.718 -0.692) 4.914 3.639 ( -5.481 -3.204 0.503) 6.369 3.698 ( -11.041 -6.786 -3.604) 13.451 4.106 ( 12.877 5.203 0.280) 13.891 4.282 ( 12.184 -10.063 -1.009) 15.835 4.373 ( -10.840 4.162 3.197) 12.043 4.531 ( -10.402 -9.910 1.984) 14.504 5.169 ( -0.072 6.281 -4.029) 7.462 5.243 ( -5.881 3.236 -5.779) 8.858 5.292 ( -2.924 -4.429 -1.908) 5.640 5.326 ( -4.952 -3.882 -2.833) 6.901 7.951 ( 9.623 12.541 11.410) 19.495 8.066 ( 4.316 5.483 17.230) 18.589 8.143 ( 3.468 1.556 11.192) 11.820 8.248 ( -0.011 -7.058 15.101) 16.669 8.726 ( 6.238 10.822 3.431) 12.954 8.835 ( -5.153 4.240 0.807) 6.722 8.964 ( 3.529 -9.783 3.590) 11.002 9.009 ( -1.409 -10.925 1.942) 11.185 9.635 ( 16.932 16.841 -7.856) 25.140 9.968 ( 8.072 -5.575 -11.266) 14.939 10.022 ( -8.291 5.488 -14.192) 17.328 10.303 ( -10.664 -11.398 -12.094) 19.746 10.786 ( 5.313 4.238 4.126) 7.951 10.921 ( 7.093 -4.005 4.055) 9.099 10.995 ( -7.458 3.969 5.372) 10.011 11.137 ( -7.986 -5.773 0.373) 9.861 12.105 ( 2.696 12.149 -4.863) 13.361 12.240 ( -9.061 12.117 -1.872) 15.245 12.320 ( 4.525 -10.214 -8.008) 13.745 12.451 ( -6.916 -9.735 -6.184) 13.448 13.284 ( 3.384 8.106 -6.777) 11.094 13.296 ( 1.515 7.882 -3.409) 8.721 13.424 ( 7.117 -4.002 -4.750) 9.446 13.461 ( 5.721 -9.175 -10.293) 14.929 13.752 ( 0.336 5.470 -2.256) 5.927 13.878 ( -5.450 2.746 -1.237) 6.226 14.008 ( -2.846 -7.579 -1.741) 8.281 14.142 ( -10.040 -12.514 -2.483) 16.235 14.916 ( 3.235 24.313 -1.056) 24.550 14.972 ( -1.604 18.873 1.580) 19.007 15.322 ( 6.573 -14.554 8.933) 18.298 15.379 ( 0.822 -20.344 3.921) 20.735 16.143 ( 18.009 27.939 -7.934) 34.174 16.400 ( 0.643 16.917 -8.647) 19.009 16.803 ( 1.411 -15.678 -4.892) 16.484 16.945 ( 0.014 -11.910 1.957) 12.070 17.335 ( 8.522 -3.536 9.969) 13.584 17.467 ( 13.145 -13.018 13.004) 22.613 17.713 ( -20.041 5.267 15.568) 25.918 17.800 ( -15.962 -1.266 11.512) 19.721 18.072 ( 9.500 2.826 11.870) 15.464 18.230 ( 1.187 -8.737 11.410) 14.420 18.309 ( -5.129 -6.089 10.531) 13.202 18.329 ( -5.798 -7.609 11.643) 15.069 21.464 ( 2.262 5.098 -11.921) 13.161 21.477 ( 1.114 4.412 -10.809) 11.728 21.509 ( -1.404 1.900 -10.237) 10.506 21.527 ( -3.346 1.295 -12.873) 13.363 ======================= Grid point 189 (61/120) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 0.000 0.000 37.222) 37.222 2.734 ( 0.000 0.000 39.205) 39.205 3.761 ( 0.000 0.000 -14.732) 14.732 3.841 ( 0.000 0.000 15.823) 15.823 4.108 ( 0.000 0.000 3.264) 3.264 4.486 ( 0.000 0.000 7.495) 7.495 4.881 ( 0.000 0.000 1.334) 1.334 5.003 ( 0.000 0.000 -5.006) 5.006 5.251 ( 0.000 0.000 -8.893) 8.893 5.288 ( 0.000 0.000 0.750) 0.750 5.514 ( 0.000 0.000 -23.467) 23.467 6.155 ( 0.000 0.000 -5.589) 5.589 6.871 ( 0.000 0.000 7.361) 7.361 7.637 ( 0.000 0.000 -1.197) 1.197 7.703 ( 0.000 0.000 2.798) 2.798 7.862 ( 0.000 0.000 4.513) 4.513 8.278 ( 0.000 0.000 14.645) 14.645 8.493 ( 0.000 0.000 -2.902) 2.902 8.749 ( 0.000 0.000 6.810) 6.810 8.778 ( 0.000 0.000 36.039) 36.039 9.540 ( 0.000 0.000 -19.026) 19.026 9.734 ( 0.000 0.000 -6.133) 6.133 9.823 ( 0.000 0.000 -12.610) 12.610 10.569 ( 0.000 0.000 -11.611) 11.611 10.871 ( 0.000 0.000 -15.515) 15.515 11.000 ( 0.000 0.000 15.770) 15.770 11.292 ( 0.000 0.000 -19.714) 19.714 11.608 ( 0.000 0.000 4.385) 4.385 11.797 ( 0.000 0.000 -5.434) 5.434 12.574 ( 0.000 0.000 12.212) 12.212 12.628 ( 0.000 0.000 -9.936) 9.936 12.691 ( 0.000 0.000 10.856) 10.856 12.950 ( 0.000 0.000 19.129) 19.129 13.147 ( 0.000 0.000 1.925) 1.925 13.219 ( 0.000 0.000 -3.316) 3.316 13.410 ( 0.000 0.000 -19.668) 19.668 13.688 ( 0.000 0.000 21.568) 21.568 13.743 ( 0.000 0.000 12.793) 12.793 13.757 ( 0.000 0.000 -9.534) 9.534 14.010 ( 0.000 0.000 0.943) 0.943 14.578 ( 0.000 0.000 -25.028) 25.028 14.637 ( 0.000 0.000 15.529) 15.529 15.060 ( 0.000 0.000 -15.980) 15.980 15.198 ( 0.000 0.000 28.334) 28.334 15.316 ( 0.000 0.000 -8.055) 8.055 15.637 ( 0.000 0.000 -10.047) 10.047 15.862 ( 0.000 0.000 24.142) 24.142 16.866 ( 0.000 0.000 -33.938) 33.938 17.457 ( 0.000 0.000 -20.799) 20.799 17.481 ( 0.000 0.000 21.055) 21.055 18.038 ( 0.000 0.000 -14.159) 14.159 18.324 ( 0.000 0.000 10.429) 10.429 18.740 ( 0.000 0.000 0.107) 0.107 18.805 ( 0.000 0.000 4.639) 4.639 19.056 ( 0.000 0.000 -15.356) 15.356 19.192 ( 0.000 0.000 -4.177) 4.177 20.937 ( 0.000 0.000 11.071) 11.071 21.059 ( 0.000 0.000 17.829) 17.829 21.603 ( 0.000 0.000 0.772) 0.772 21.883 ( 0.000 0.000 -9.809) 9.809 ======================= Grid point 190 (62/120) ======================= q-point: ( 0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 3.185 0.000 32.876) 33.030 2.886 ( 13.849 0.000 35.078) 37.713 3.769 ( 1.264 0.000 -16.618) 16.666 4.070 ( 16.818 0.000 6.182) 17.918 4.144 ( 3.323 0.000 3.541) 4.856 4.453 ( -1.077 0.000 18.237) 18.268 4.821 ( -8.984 0.000 0.943) 9.033 4.926 ( -1.688 0.000 -12.370) 12.485 5.181 ( -6.428 0.000 -8.854) 10.941 5.316 ( 1.750 0.000 5.032) 5.328 5.432 ( -7.712 0.000 -22.140) 23.445 6.081 ( -6.527 0.000 -4.076) 7.695 6.914 ( 3.822 0.000 7.696) 8.593 7.475 ( -13.245 0.000 14.181) 19.404 7.727 ( 7.438 0.000 -1.331) 7.557 7.879 ( 2.405 0.000 -2.783) 3.678 8.350 ( 6.597 0.000 18.125) 19.289 8.656 ( 9.120 0.000 -6.787) 11.368 8.847 ( 8.255 0.000 8.052) 11.532 8.890 ( 11.000 0.000 30.044) 31.994 9.506 ( -3.195 0.000 -15.023) 15.359 9.681 ( -1.909 0.000 -4.732) 5.102 10.107 ( 20.197 0.000 -13.584) 24.340 10.458 ( -9.865 0.000 -12.295) 15.763 10.741 ( -7.596 0.000 -2.328) 7.945 11.075 ( 2.770 0.000 -0.425) 2.802 11.330 ( 3.409 0.000 -12.174) 12.643 11.656 ( 3.687 0.000 5.609) 6.713 11.789 ( -0.938 0.000 -8.647) 8.698 12.383 ( -15.867 0.000 -1.360) 15.925 12.528 ( -10.187 0.000 8.787) 13.453 12.651 ( -0.531 0.000 -3.788) 3.825 12.834 ( -9.246 0.000 15.628) 18.159 13.003 ( -9.594 0.000 1.941) 9.788 13.234 ( -0.364 0.000 0.095) 0.376 13.319 ( -3.741 0.000 -10.084) 10.756 13.827 ( 3.764 0.000 -13.645) 14.155 13.907 ( 5.695 0.000 -0.155) 5.697 13.936 ( 18.577 0.000 19.709) 27.084 14.046 ( 9.607 0.000 6.132) 11.398 14.504 ( -9.255 0.000 16.223) 18.678 14.537 ( -3.281 0.000 -22.291) 22.531 15.000 ( -8.557 0.000 -14.525) 16.858 15.387 ( 13.736 0.000 4.689) 14.514 15.487 ( 16.102 0.000 17.267) 23.610 15.692 ( 7.853 0.000 -13.464) 15.587 15.921 ( 6.250 0.000 28.845) 29.515 16.599 ( -19.539 0.000 -30.046) 35.840 17.408 ( -4.647 0.000 23.165) 23.627 17.669 ( 14.033 0.000 -21.174) 25.402 18.064 ( 2.398 0.000 -13.276) 13.491 18.504 ( 14.999 0.000 11.923) 19.161 18.825 ( 1.926 0.000 4.621) 5.006 18.843 ( 6.213 0.000 -3.166) 6.973 18.980 ( -5.571 0.000 -13.183) 14.312 19.196 ( 0.393 0.000 -3.744) 3.765 20.865 ( -6.670 0.000 8.495) 10.801 21.025 ( -2.980 0.000 15.824) 16.102 21.562 ( -3.918 0.000 -0.325) 3.932 21.729 ( -13.649 0.000 -9.468) 16.611 ======================= Grid point 191 (63/120) ======================= q-point: ( 0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 6.179 0.000 21.457) 22.329 3.263 ( 20.911 0.000 25.839) 33.240 3.805 ( 1.396 0.000 -18.123) 18.177 4.125 ( -8.590 0.000 -3.095) 9.131 4.234 ( 4.801 0.000 4.322) 6.460 4.525 ( -10.436 0.000 5.375) 11.739 4.742 ( 13.137 0.000 7.617) 15.186 4.942 ( 2.342 0.000 -15.219) 15.398 5.006 ( -9.528 0.000 -8.546) 12.799 5.208 ( -13.101 0.000 -18.900) 22.996 5.357 ( 4.412 0.000 15.155) 15.784 5.937 ( -5.472 0.000 0.332) 5.482 7.015 ( 5.608 0.000 8.043) 9.805 7.334 ( 0.524 0.000 14.810) 14.819 7.865 ( 3.600 0.000 -1.719) 3.989 7.981 ( 7.743 0.000 -2.582) 8.163 8.534 ( 10.693 0.000 22.589) 24.992 8.818 ( 7.687 0.000 -7.844) 10.982 9.053 ( 10.509 0.000 11.030) 15.235 9.227 ( 19.473 0.000 17.567) 26.226 9.431 ( -2.270 0.000 -2.667) 3.502 9.611 ( -5.855 0.000 -6.043) 8.415 10.110 ( -17.526 0.000 -4.025) 17.982 10.576 ( 16.979 0.000 -12.712) 21.210 10.629 ( -2.513 0.000 -1.683) 3.025 11.075 ( -2.608 0.000 -7.955) 8.372 11.393 ( 1.847 0.000 1.802) 2.580 11.658 ( -7.509 0.000 9.231) 11.899 11.803 ( 5.369 0.000 -13.583) 14.605 11.915 ( -27.383 0.000 -14.708) 31.083 12.441 ( 2.926 0.000 -2.647) 3.946 12.641 ( 0.880 0.000 0.274) 0.922 12.670 ( -4.269 0.000 7.122) 8.304 12.874 ( -3.056 0.000 2.501) 3.949 13.174 ( -5.431 0.000 4.636) 7.140 13.294 ( 0.375 0.000 -3.994) 4.012 13.855 ( -5.240 0.000 -12.909) 13.932 13.870 ( 0.052 0.000 -17.592) 17.592 14.166 ( -2.778 0.000 10.491) 10.853 14.268 ( -1.489 0.000 -14.386) 14.463 14.514 ( 16.375 0.000 21.551) 27.066 14.516 ( -3.074 0.000 -15.038) 15.349 14.780 ( 1.294 0.000 6.387) 6.517 15.634 ( 8.753 0.000 -2.071) 8.995 15.952 ( 26.286 0.000 26.664) 37.442 16.006 ( 20.922 0.000 -8.224) 22.480 16.091 ( 8.004 0.000 27.324) 28.473 16.185 ( -18.165 0.000 -22.474) 28.898 17.364 ( 1.752 0.000 23.136) 23.202 17.902 ( 6.637 0.000 -15.207) 16.593 18.164 ( 7.284 0.000 -8.543) 11.226 18.654 ( -11.423 0.000 -7.919) 13.899 18.885 ( 3.788 0.000 4.524) 5.901 18.896 ( 12.449 0.000 11.794) 17.149 19.016 ( 2.699 0.000 -1.397) 3.039 19.206 ( 0.411 0.000 -2.353) 2.388 20.686 ( -9.475 0.000 0.264) 9.478 20.953 ( -3.329 0.000 9.632) 10.191 21.379 ( -18.339 0.000 -11.790) 21.802 21.446 ( -6.907 0.000 -3.299) 7.654 ======================= Grid point 192 (64/120) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( 11.562 0.000 7.046) 13.540 3.700 ( 19.793 0.000 16.083) 25.503 3.726 ( -11.417 0.000 -15.587) 19.321 3.998 ( -0.639 0.000 -7.092) 7.121 4.294 ( -9.869 0.000 -1.620) 10.002 4.315 ( 1.948 0.000 5.333) 5.678 4.774 ( -4.023 0.000 -0.967) 4.138 4.817 ( -7.832 0.000 -8.208) 11.345 4.932 ( -11.915 0.000 -14.929) 19.101 4.968 ( -3.822 0.000 -8.183) 9.031 5.607 ( 15.177 0.000 18.354) 23.817 5.887 ( 0.009 0.000 4.397) 4.397 7.151 ( 7.665 0.000 7.339) 10.612 7.499 ( 15.129 0.000 8.637) 17.421 7.826 ( -7.290 0.000 -1.609) 7.465 8.197 ( 11.987 0.000 1.199) 12.047 8.782 ( 12.678 0.000 22.719) 26.017 8.995 ( 6.901 0.000 -12.915) 14.643 9.219 ( 3.899 0.000 12.616) 13.205 9.336 ( -2.610 0.000 11.860) 12.144 9.396 ( -13.741 0.000 -9.789) 16.871 9.732 ( 22.766 0.000 6.410) 23.651 9.796 ( -9.047 0.000 12.975) 15.817 10.646 ( 4.155 0.000 -5.145) 6.613 10.807 ( 5.555 0.000 -1.270) 5.698 10.966 ( -8.832 0.000 -11.586) 14.568 11.342 ( -24.580 0.000 -16.559) 29.637 11.370 ( -8.792 0.000 10.782) 13.912 11.506 ( 0.569 0.000 6.836) 6.859 11.890 ( 0.321 0.000 -14.177) 14.181 12.548 ( 4.817 0.000 -12.625) 13.513 12.695 ( 3.703 0.000 0.781) 3.784 12.706 ( 5.587 0.000 -4.017) 6.881 12.839 ( -0.835 0.000 0.124) 0.844 13.064 ( -1.346 0.000 1.215) 1.813 13.307 ( 0.846 0.000 -2.113) 2.276 13.756 ( -10.685 0.000 -5.052) 11.819 13.761 ( -3.343 0.000 -15.766) 16.117 14.051 ( -15.759 0.000 -15.396) 22.032 14.196 ( 8.776 0.000 -6.815) 11.111 14.253 ( -12.782 0.000 -20.612) 24.253 14.847 ( 9.658 0.000 11.310) 14.873 15.158 ( 23.156 0.000 21.255) 31.432 15.681 ( -3.461 0.000 -4.918) 6.014 15.934 ( -3.854 0.000 -1.601) 4.173 16.160 ( -2.709 0.000 26.779) 26.916 16.510 ( 26.379 0.000 -5.980) 27.048 16.547 ( 29.307 0.000 24.394) 38.131 17.518 ( 12.172 0.000 18.058) 21.777 17.906 ( -6.575 0.000 -4.018) 7.706 18.218 ( -11.276 0.000 -12.665) 16.957 18.478 ( 6.584 0.000 3.868) 7.636 18.935 ( -9.614 0.000 6.858) 11.810 18.979 ( 5.012 0.000 4.286) 6.594 19.117 ( 4.399 0.000 19.319) 19.814 19.204 ( -0.843 0.000 0.121) 0.851 20.528 ( -4.108 0.000 -12.977) 13.612 20.915 ( 0.203 0.000 0.347) 0.402 21.015 ( -15.812 0.000 -17.695) 23.730 21.284 ( -8.362 0.000 -7.025) 10.921 ======================= Grid point 193 (65/120) ======================= q-point: ( 0.44 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( 17.317 0.000 -5.386) 18.136 3.396 ( -18.468 0.000 -12.498) 22.299 4.034 ( 2.988 0.000 -8.218) 8.744 4.053 ( 13.694 0.000 8.353) 16.040 4.126 ( -6.144 0.000 -4.694) 7.733 4.269 ( -6.758 0.000 5.396) 8.648 4.716 ( -1.270 0.000 -8.228) 8.326 4.745 ( 2.161 0.000 0.139) 2.165 4.755 ( -4.919 0.000 -9.954) 11.103 4.845 ( -6.458 0.000 -3.207) 7.211 5.826 ( 5.956 0.000 12.509) 13.854 5.891 ( -0.752 0.000 8.270) 8.304 7.346 ( 11.126 0.000 4.862) 12.142 7.602 ( -12.710 0.000 1.040) 12.752 7.927 ( 23.842 0.000 2.146) 23.938 8.325 ( -7.105 0.000 3.957) 8.133 8.944 ( -1.789 0.000 -17.979) 18.068 9.044 ( 11.829 0.000 22.401) 25.333 9.096 ( -10.562 0.000 -9.240) 14.033 9.245 ( -6.875 0.000 20.284) 21.417 9.450 ( 12.848 0.000 18.635) 22.635 9.672 ( -6.866 0.000 17.089) 18.417 10.182 ( 20.537 0.000 -5.725) 21.320 10.613 ( -19.968 0.000 -15.413) 25.225 10.809 ( 7.841 0.000 -6.188) 9.989 10.909 ( 6.791 0.000 9.671) 11.817 11.002 ( -10.150 0.000 -9.206) 13.703 11.119 ( -12.448 0.000 13.383) 18.278 11.620 ( 7.774 0.000 0.731) 7.808 11.795 ( -8.056 0.000 -6.555) 10.385 12.647 ( 4.654 0.000 -17.584) 18.190 12.727 ( -2.681 0.000 -13.960) 14.216 12.772 ( 3.282 0.000 -1.433) 3.581 12.821 ( -1.338 0.000 -1.466) 1.985 13.240 ( 15.443 0.000 -8.185) 17.478 13.356 ( 4.739 0.000 -0.526) 4.768 13.519 ( -10.514 0.000 0.185) 10.516 13.590 ( -16.110 0.000 -15.153) 22.117 13.866 ( 2.574 0.000 -11.408) 11.695 14.018 ( -10.064 0.000 -15.895) 18.813 14.471 ( 16.024 0.000 -13.879) 21.199 14.795 ( -12.634 0.000 -10.236) 16.260 15.619 ( 20.257 0.000 23.355) 30.916 15.718 ( 7.161 0.000 9.452) 11.858 15.864 ( -5.228 0.000 10.493) 11.724 15.980 ( -13.758 0.000 25.331) 28.826 17.072 ( 26.631 0.000 -5.885) 27.274 17.143 ( 26.978 0.000 17.802) 32.323 17.562 ( -16.549 0.000 -2.670) 16.763 17.633 ( -19.084 0.000 8.108) 20.735 18.150 ( 15.052 0.000 7.903) 17.001 18.553 ( -16.244 0.000 6.289) 17.419 18.802 ( 10.839 0.000 17.184) 20.317 19.057 ( -9.492 0.000 20.058) 22.190 19.082 ( 4.654 0.000 3.880) 6.059 19.164 ( -3.033 0.000 2.614) 4.004 20.548 ( 5.691 0.000 -21.887) 22.615 20.732 ( -11.352 0.000 -22.229) 24.960 20.971 ( 5.059 0.000 -7.242) 8.834 21.111 ( -7.914 0.000 -9.305) 12.215 ======================= Grid point 198 (66/120) ======================= q-point: ( 0.00 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 0.000 16.311 33.476) 37.238 2.679 ( 0.000 -2.444 35.908) 35.991 3.698 ( 0.000 -6.006 -12.929) 14.256 4.031 ( 0.000 15.013 6.999) 16.564 4.165 ( 0.000 4.998 1.919) 5.354 4.494 ( 0.000 -0.064 13.078) 13.078 4.824 ( 0.000 -4.958 -0.231) 4.964 4.877 ( 0.000 -9.109 -12.881) 15.776 5.154 ( 0.000 -3.155 1.560) 3.520 5.415 ( 0.000 4.183 -5.158) 6.641 5.494 ( 0.000 -2.229 -22.631) 22.741 6.070 ( 0.000 -8.206 -6.435) 10.428 6.988 ( 0.000 11.184 5.441) 12.437 7.666 ( 0.000 -2.573 6.589) 7.073 7.675 ( 0.000 3.456 -1.510) 3.772 7.829 ( 0.000 -3.205 5.249) 6.150 8.300 ( 0.000 -0.383 12.991) 12.997 8.437 ( 0.000 -1.215 1.866) 2.227 8.698 ( 0.000 -3.460 23.281) 23.536 8.874 ( 0.000 7.410 18.946) 20.344 9.513 ( 0.000 -3.810 -10.938) 11.583 9.804 ( 0.000 7.651 -13.062) 15.138 9.848 ( 0.000 2.390 -11.985) 12.221 10.338 ( 0.000 -17.256 -9.625) 19.759 10.970 ( 0.000 -3.296 12.456) 12.885 11.023 ( 0.000 8.773 -15.753) 18.031 11.354 ( 0.000 6.304 -10.370) 12.136 11.586 ( 0.000 -1.852 5.637) 5.934 11.736 ( 0.000 -4.302 -9.189) 10.146 12.645 ( 0.000 3.864 9.681) 10.424 12.658 ( 0.000 2.067 -10.008) 10.219 12.773 ( 0.000 10.391 12.628) 16.353 12.947 ( 0.000 -0.715 9.807) 9.833 13.054 ( 0.000 -6.579 1.681) 6.790 13.232 ( 0.000 -1.304 -2.532) 2.848 13.476 ( 0.000 -11.162 13.101) 17.211 13.529 ( 0.000 10.048 -12.740) 16.225 13.658 ( 0.000 -8.875 -8.655) 12.397 13.961 ( 0.000 -1.958 0.299) 1.981 13.973 ( 0.000 12.719 16.467) 20.807 14.547 ( 0.000 -2.933 -23.859) 24.039 14.817 ( 0.000 15.303 13.447) 20.372 15.118 ( 0.000 4.507 -11.053) 11.936 15.197 ( 0.000 -8.626 -6.717) 10.932 15.250 ( 0.000 6.047 23.725) 24.484 15.668 ( 0.000 0.732 1.953) 2.085 15.925 ( 0.000 6.103 11.094) 12.662 16.943 ( 0.000 7.593 -32.488) 33.363 17.447 ( 0.000 -1.770 16.272) 16.368 17.497 ( 0.000 2.640 -15.442) 15.666 18.012 ( 0.000 -2.999 -11.186) 11.581 18.188 ( 0.000 -14.519 5.962) 15.696 18.614 ( 0.000 -16.308 5.955) 17.362 18.708 ( 0.000 -3.060 -0.190) 3.066 18.983 ( 0.000 -19.113 -2.494) 19.275 18.989 ( 0.000 -6.601 -11.651) 13.391 21.068 ( 0.000 11.762 9.481) 15.108 21.159 ( 0.000 9.585 15.152) 17.929 21.618 ( 0.000 1.400 0.913) 1.672 21.925 ( 0.000 2.996 -9.720) 10.171 ======================= Grid point 199 (67/120) ======================= q-point: ( 0.11 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 2.633 14.793 28.793) 32.478 2.848 ( 14.540 -1.370 33.191) 36.262 3.719 ( 2.095 -5.080 -14.240) 15.263 4.072 ( -0.474 0.127 -1.619) 1.692 4.279 ( 10.573 10.095 3.314) 14.989 4.485 ( 1.089 1.592 20.267) 20.359 4.755 ( -7.101 -5.264 -0.970) 8.892 4.851 ( -0.237 -4.909 -16.534) 17.249 5.114 ( -4.268 -3.539 -0.197) 5.548 5.368 ( -3.909 1.072 -4.609) 6.137 5.445 ( -4.317 1.011 -17.832) 18.375 5.996 ( -6.480 -7.972 -4.984) 11.419 7.044 ( 4.855 12.392 6.058) 14.623 7.482 ( -10.506 1.312 14.906) 18.283 7.774 ( 8.029 4.121 -0.850) 9.065 7.874 ( 4.142 -0.463 -0.716) 4.229 8.341 ( 2.754 -0.666 18.342) 18.559 8.554 ( 10.373 -8.498 -0.179) 13.411 8.863 ( 11.127 1.144 11.668) 16.164 8.940 ( 7.716 4.823 23.294) 25.008 9.530 ( 0.550 -0.422 -10.455) 10.478 9.662 ( -7.093 0.291 -7.337) 10.209 10.107 ( 17.519 -0.860 -13.222) 21.965 10.357 ( -0.404 -6.942 -9.437) 11.722 10.813 ( -12.298 5.609 -7.578) 15.496 10.964 ( -2.905 -7.228 2.083) 8.063 11.448 ( 5.980 6.944 -7.073) 11.577 11.601 ( 0.731 -5.948 6.514) 8.852 11.774 ( 2.298 0.749 -11.603) 11.853 12.431 ( -13.200 3.982 -2.641) 14.038 12.537 ( -12.432 1.303 0.309) 12.504 12.788 ( -0.146 11.385 3.722) 11.978 12.808 ( -11.400 -1.698 11.039) 15.959 12.956 ( -7.475 -3.735 1.110) 8.430 13.209 ( -0.865 -3.455 -0.230) 3.569 13.441 ( -1.699 10.427 -5.464) 11.894 13.677 ( 16.880 -14.174 12.825) 25.502 13.822 ( 5.356 0.758 -11.232) 12.467 13.905 ( -1.870 -3.066 -6.691) 7.594 14.218 ( 16.695 10.295 14.386) 24.324 14.487 ( -4.819 -2.839 -17.670) 18.534 14.720 ( -5.540 17.194 11.560) 21.446 15.046 ( -6.849 3.001 -12.708) 14.745 15.231 ( 2.271 -9.363 -8.208) 12.656 15.472 ( 17.296 -1.210 27.000) 32.087 15.774 ( 10.843 2.781 0.145) 11.195 15.982 ( 6.339 6.758 15.954) 18.450 16.687 ( -18.110 8.690 -27.671) 34.193 17.408 ( -2.627 0.590 22.451) 22.612 17.695 ( 13.256 2.336 -21.051) 24.987 18.044 ( 2.503 -1.996 -13.421) 13.798 18.334 ( 12.258 -18.910 8.898) 24.229 18.638 ( 2.300 -14.431 5.966) 15.784 18.809 ( 6.589 -3.934 -3.142) 8.293 18.918 ( -5.350 -6.270 -9.109) 12.284 18.983 ( 0.171 -19.355 -0.908) 19.378 21.005 ( -5.779 12.509 7.059) 15.483 21.122 ( -3.251 9.296 13.263) 16.519 21.578 ( -3.802 1.558 -0.251) 4.117 21.787 ( -12.315 4.370 -9.626) 16.230 ======================= Grid point 200 (68/120) ======================= q-point: ( 0.22 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 5.243 13.713 18.469) 23.593 3.228 ( 20.557 -2.483 25.578) 32.909 3.775 ( 2.456 -3.102 -15.892) 16.377 4.009 ( -5.090 -6.512 -2.157) 8.542 4.277 ( -5.663 -2.172 3.943) 7.234 4.543 ( -9.375 0.732 -0.238) 9.406 4.717 ( 6.990 -3.730 2.696) 8.369 4.895 ( 3.116 0.108 -9.175) 9.690 4.997 ( -4.260 -1.013 -7.420) 8.616 5.239 ( -8.586 1.546 -14.557) 16.971 5.378 ( 0.620 1.621 6.532) 6.758 5.851 ( -5.884 -7.833 -1.142) 9.863 7.167 ( 6.572 14.883 7.827) 18.054 7.377 ( 1.501 4.548 15.731) 16.444 7.931 ( 4.804 5.430 -1.537) 7.411 8.013 ( 9.610 3.911 -0.869) 10.412 8.470 ( 9.526 -6.454 22.246) 25.046 8.784 ( 11.610 -3.047 -2.229) 12.208 9.031 ( 6.273 -1.206 7.743) 10.038 9.240 ( 16.812 -0.605 17.276) 24.114 9.441 ( -6.597 2.373 -1.837) 7.248 9.626 ( 2.721 -0.239 -1.701) 3.218 10.164 ( -18.053 5.911 -7.280) 20.343 10.429 ( 9.637 -9.389 -9.872) 16.687 10.703 ( 3.157 3.913 -6.045) 7.862 10.914 ( -0.754 -11.490 -4.130) 12.233 11.491 ( -2.651 3.044 4.167) 5.801 11.605 ( -4.206 -7.678 9.810) 13.148 11.787 ( 0.084 4.875 -18.656) 19.283 12.024 ( -21.975 7.339 -17.045) 28.763 12.414 ( 1.071 -1.994 -2.217) 3.168 12.627 ( -2.941 -2.177 4.767) 6.009 12.785 ( -0.232 11.578 3.744) 12.170 12.837 ( -2.848 -2.972 2.038) 4.593 13.182 ( -2.607 0.615 3.457) 4.374 13.432 ( 0.116 12.816 -3.865) 13.387 13.735 ( -8.281 -6.725 -8.095) 13.391 13.933 ( 1.518 5.668 -14.856) 15.973 14.040 ( 11.102 -13.490 1.576) 17.542 14.402 ( -3.340 6.729 -5.906) 9.556 14.433 ( 3.128 -4.413 -5.903) 8.006 14.638 ( -8.630 17.184 -0.098) 19.230 14.954 ( 11.232 11.737 14.316) 21.653 15.364 ( 8.389 -19.563 -1.101) 21.314 15.855 ( 16.244 -10.934 17.132) 26.018 16.096 ( 14.643 6.010 14.395) 21.396 16.117 ( 3.586 5.269 -8.229) 10.409 16.395 ( -0.539 14.844 -1.025) 14.889 17.400 ( 2.667 4.380 21.377) 21.983 17.902 ( 5.378 -0.880 -15.647) 16.569 18.147 ( 7.240 -1.231 -8.835) 11.489 18.556 ( 5.153 -22.219 3.129) 23.022 18.590 ( -9.153 -11.269 -5.090) 15.384 18.853 ( 5.903 -8.367 10.282) 14.511 18.924 ( 0.309 -11.193 -2.235) 11.418 19.030 ( 4.341 -12.603 3.315) 13.736 20.851 ( -8.002 14.457 -0.286) 16.527 21.042 ( -3.859 8.516 7.446) 11.952 21.452 ( -12.083 4.646 -8.115) 15.278 21.482 ( -11.310 4.557 -7.007) 14.063 ======================= Grid point 201 (69/120) ======================= q-point: ( 0.33 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( 9.845 11.038 6.079) 15.992 3.640 ( 15.700 -5.167 16.751) 23.532 3.724 ( -7.943 -0.602 -13.073) 15.309 3.935 ( -0.120 -5.289 -7.077) 8.836 4.188 ( -2.493 -5.632 -0.790) 6.209 4.352 ( -7.709 -3.298 2.189) 8.666 4.726 ( -2.526 -3.982 -4.131) 6.269 4.804 ( -6.269 0.463 -4.799) 7.908 4.932 ( -6.951 1.392 -8.733) 11.248 5.065 ( -7.519 6.118 -12.208) 15.588 5.535 ( 10.515 -6.409 13.193) 18.047 5.781 ( -1.245 -9.512 2.920) 10.027 7.315 ( 7.890 15.840 9.205) 19.947 7.560 ( 15.896 6.486 8.829) 19.306 7.933 ( -5.033 9.758 -0.257) 10.982 8.251 ( 12.131 5.599 1.906) 13.496 8.715 ( 13.314 -6.879 21.070) 25.856 9.016 ( 6.756 1.066 -9.566) 11.760 9.116 ( 2.894 -6.118 8.481) 10.851 9.302 ( -6.148 -2.523 5.935) 8.910 9.444 ( -1.400 -0.753 3.970) 4.276 9.785 ( -11.298 5.688 5.748) 13.894 9.824 ( 15.200 3.967 6.762) 17.102 10.548 ( 3.256 -12.552 -5.491) 14.082 10.752 ( 0.946 1.531 -3.614) 4.037 10.962 ( 2.814 -3.333 -9.579) 10.525 11.306 ( -17.909 -3.330 -3.102) 18.479 11.384 ( -13.208 -0.823 7.091) 15.013 11.605 ( -3.395 9.016 -1.911) 9.822 11.922 ( 0.386 4.242 -16.224) 16.774 12.455 ( 1.872 -7.961 -9.676) 12.669 12.639 ( -0.554 -5.167 -5.111) 7.289 12.810 ( 3.917 10.564 2.020) 11.447 12.868 ( 6.203 1.741 0.491) 6.461 13.115 ( -2.266 4.493 0.488) 5.056 13.439 ( 0.621 12.519 -5.290) 13.605 13.571 ( -5.880 -10.336 -9.568) 15.263 13.899 ( -4.912 10.740 -9.202) 14.972 14.045 ( -7.865 -3.246 -13.642) 16.078 14.143 ( -15.812 -3.004 -17.274) 23.610 14.540 ( 4.830 24.816 -6.197) 26.030 14.720 ( 16.182 -10.230 14.373) 23.939 15.298 ( 12.669 11.216 13.513) 21.654 15.497 ( 3.961 -21.197 9.700) 23.645 15.833 ( -9.218 2.301 -7.581) 12.155 16.144 ( 5.062 -9.190 5.162) 11.693 16.606 ( 26.865 4.710 21.737) 34.877 16.678 ( 20.206 14.575 10.119) 26.891 17.547 ( 11.258 3.374 16.648) 20.378 17.897 ( -6.375 -2.006 -6.385) 9.243 18.189 ( -12.986 -1.718 -8.900) 15.837 18.404 ( 6.051 -7.933 2.832) 10.371 18.660 ( 0.871 -25.437 4.371) 25.825 18.807 ( -6.656 -14.952 1.489) 16.435 19.039 ( 5.259 -8.016 18.147) 20.523 19.083 ( 0.478 -10.267 6.563) 12.195 20.717 ( -3.798 16.019 -11.197) 19.910 20.987 ( -1.058 7.228 -1.715) 7.504 21.133 ( -14.014 9.756 -16.248) 23.571 21.317 ( -7.866 2.957 -7.100) 11.001 ======================= Grid point 202 (70/120) ======================= q-point: ( 0.44 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.082 ( 15.132 6.987 -4.770) 17.336 3.422 ( -16.424 2.520 -10.859) 19.850 3.907 ( 5.842 -9.195 5.544) 12.223 3.945 ( 0.229 -8.320 -1.961) 8.550 4.171 ( 1.978 1.287 -4.684) 5.245 4.248 ( -3.574 -3.489 2.063) 5.404 4.666 ( -1.267 -4.170 -5.056) 6.676 4.706 ( -3.946 -1.805 -5.787) 7.233 4.844 ( 0.389 6.099 -3.599) 7.093 4.920 ( -5.962 5.987 -4.848) 9.741 5.693 ( 4.761 -11.996 9.617) 16.095 5.758 ( -1.794 -11.950 6.717) 13.825 7.509 ( 10.712 15.289 6.660) 19.820 7.747 ( -11.369 13.570 2.553) 17.886 7.993 ( 23.502 6.849 2.865) 24.647 8.379 ( -6.539 5.360 4.790) 9.717 8.931 ( -0.695 -2.560 2.431) 3.598 9.009 ( -5.580 -5.557 -1.092) 7.950 9.041 ( 9.612 0.549 0.675) 9.651 9.291 ( -9.920 1.348 9.754) 13.977 9.442 ( 11.724 -1.997 15.829) 19.799 9.638 ( -6.055 -2.374 16.105) 17.368 10.182 ( 16.543 -0.124 -3.559) 16.922 10.491 ( -10.949 -9.496 -9.957) 17.584 10.816 ( 5.654 -0.507 -3.799) 6.830 10.954 ( -4.953 3.763 -0.651) 6.254 11.027 ( -1.812 0.112 -1.360) 2.268 11.144 ( -9.669 2.574 7.563) 12.542 11.661 ( 6.481 4.643 -0.179) 7.975 11.828 ( -8.178 4.268 -6.799) 11.459 12.509 ( 3.561 -10.631 -12.896) 17.088 12.589 ( -3.452 -8.427 -11.786) 14.895 12.885 ( 3.367 8.759 -1.281) 9.471 12.948 ( -1.850 7.512 -3.167) 8.360 13.226 ( 12.979 -0.084 -7.472) 14.976 13.435 ( -3.451 5.001 -9.373) 11.170 13.541 ( 3.384 -2.981 -7.696) 8.921 13.700 ( -12.135 11.234 -7.362) 18.101 13.870 ( -4.175 7.968 -8.317) 12.251 13.907 ( -7.473 -7.088 -12.490) 16.189 14.740 ( 12.443 23.089 -10.913) 28.408 14.934 ( -0.793 6.785 0.112) 6.832 15.355 ( 2.102 -9.787 6.007) 11.675 15.485 ( -6.183 -22.849 14.341) 27.676 15.905 ( 12.239 5.447 13.783) 19.221 16.123 ( -6.764 -0.256 13.140) 14.780 17.142 ( 23.089 7.317 0.930) 24.238 17.164 ( 25.148 1.890 16.756) 30.278 17.611 ( -15.840 5.171 -0.781) 16.681 17.642 ( -16.844 0.224 7.174) 18.309 18.065 ( 13.179 -7.885 8.859) 17.730 18.445 ( -17.916 -14.556 8.797) 24.703 18.616 ( 10.110 -13.051 5.610) 17.435 18.753 ( -2.233 -21.462 5.247) 22.207 19.069 ( -0.700 -7.823 12.667) 14.904 19.074 ( -0.926 -7.599 15.067) 16.901 20.719 ( 4.007 14.664 -19.311) 24.576 20.866 ( -9.541 11.665 -20.472) 25.421 21.036 ( 3.821 6.101 -7.987) 10.753 21.157 ( -7.140 4.229 -9.519) 12.628 ======================= Grid point 207 (71/120) ======================= q-point: ( 0.00 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( 0.000 8.749 25.201) 26.676 2.975 ( 0.000 24.794 25.486) 35.557 3.542 ( 0.000 -10.010 -7.900) 12.751 4.172 ( 0.000 -5.814 1.908) 6.119 4.248 ( 0.000 2.091 -2.249) 3.071 4.463 ( 0.000 -2.723 7.504) 7.983 4.760 ( 0.000 0.676 -1.505) 1.650 4.813 ( 0.000 4.780 -16.386) 17.068 5.148 ( 0.000 2.760 0.077) 2.761 5.412 ( 0.000 -3.448 -3.154) 4.673 5.422 ( 0.000 -5.323 -21.503) 22.152 5.865 ( 0.000 -12.184 -7.710) 14.418 7.245 ( 0.000 13.551 2.739) 13.825 7.663 ( 0.000 3.340 11.063) 11.557 7.731 ( 0.000 -2.104 -2.789) 3.493 7.766 ( 0.000 0.747 6.471) 6.514 8.220 ( 0.000 -4.180 14.306) 14.904 8.567 ( 0.000 12.212 8.347) 14.792 8.593 ( 0.000 -7.905 28.179) 29.267 9.056 ( 0.000 11.296 12.520) 16.863 9.386 ( 0.000 -8.982 -2.984) 9.465 9.905 ( 0.000 2.919 -9.504) 9.942 9.980 ( 0.000 7.904 -14.564) 16.570 9.986 ( 0.000 -18.102 -5.682) 18.973 10.896 ( 0.000 -2.782 7.939) 8.412 11.114 ( 0.000 0.119 -16.051) 16.052 11.484 ( 0.000 4.402 8.211) 9.316 11.556 ( 0.000 -0.972 8.595) 8.650 11.740 ( 0.000 8.018 -24.097) 25.396 12.680 ( 0.000 -1.009 -14.794) 14.828 12.702 ( 0.000 2.742 9.258) 9.656 12.884 ( 0.000 -7.837 -0.940) 7.893 12.943 ( 0.000 -3.242 2.104) 3.865 13.029 ( 0.000 11.682 9.277) 14.918 13.140 ( 0.000 -5.193 1.663) 5.453 13.296 ( 0.000 -6.837 10.234) 12.307 13.472 ( 0.000 -7.515 -8.982) 11.711 13.716 ( 0.000 6.419 0.391) 6.431 14.005 ( 0.000 6.136 -5.494) 8.236 14.199 ( 0.000 9.651 12.681) 15.935 14.486 ( 0.000 -2.049 -17.501) 17.621 15.041 ( 0.000 -6.608 -5.734) 8.749 15.076 ( 0.000 6.173 13.715) 15.040 15.186 ( 0.000 2.202 0.061) 2.203 15.434 ( 0.000 11.955 11.355) 16.489 15.771 ( 0.000 14.409 3.839) 14.912 16.018 ( 0.000 2.089 6.623) 6.945 17.138 ( 0.000 11.568 -28.004) 30.299 17.422 ( 0.000 0.029 20.458) 20.458 17.568 ( 0.000 4.389 -20.005) 20.480 17.696 ( 0.000 -31.187 9.618) 32.636 17.969 ( 0.000 -5.210 -14.331) 15.248 18.305 ( 0.000 -13.842 6.415) 15.256 18.565 ( 0.000 -20.624 -8.055) 22.141 18.645 ( 0.000 -3.568 3.812) 5.221 18.832 ( 0.000 -8.592 -6.434) 10.734 21.319 ( 0.000 12.674 6.781) 14.374 21.392 ( 0.000 13.492 9.549) 16.529 21.644 ( 0.000 0.809 1.525) 1.726 21.946 ( 0.000 -1.674 -7.280) 7.470 ======================= Grid point 208 (72/120) ======================= q-point: ( 0.11 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( 10.112 8.953 21.269) 25.195 3.012 ( 3.592 21.332 24.781) 32.895 3.581 ( 3.719 -9.052 -8.308) 12.837 4.063 ( -6.932 -2.482 -1.342) 7.484 4.272 ( -2.834 -8.851 2.403) 9.599 4.497 ( 1.976 -6.629 1.458) 7.070 4.704 ( -2.112 5.365 -2.142) 6.150 4.871 ( 4.137 5.968 -12.095) 14.107 5.097 ( -4.729 1.865 -1.974) 5.453 5.336 ( -4.790 -3.222 -9.987) 11.536 5.429 ( -0.924 -2.915 -11.816) 12.205 5.810 ( -5.019 -10.511 -6.734) 13.454 7.327 ( 7.158 14.559 4.229) 16.766 7.555 ( -4.924 6.482 14.510) 16.637 7.842 ( 7.675 0.295 -0.973) 7.742 7.871 ( 9.582 1.883 4.769) 10.867 8.341 ( -1.826 0.738 19.255) 19.355 8.404 ( 8.332 -5.508 10.118) 14.217 8.876 ( 13.943 0.566 15.003) 20.489 9.077 ( 2.208 9.302 13.739) 16.738 9.421 ( 3.508 -9.492 -2.824) 10.506 9.699 ( -11.382 -0.396 -5.028) 12.450 10.028 ( 6.991 -5.058 -10.082) 13.270 10.286 ( 16.231 -1.999 -10.195) 19.271 10.882 ( -1.700 -0.026 6.480) 6.699 10.929 ( -16.318 6.162 -13.398) 21.994 11.436 ( -4.122 -7.500 -1.784) 8.742 11.513 ( 0.288 -1.809 5.309) 5.616 11.880 ( 6.802 9.438 -14.640) 18.699 12.504 ( -12.347 1.227 -14.490) 19.077 12.551 ( -12.725 1.036 2.709) 13.052 12.787 ( -10.468 -0.888 5.073) 11.666 12.856 ( -7.812 -2.951 4.717) 9.591 12.998 ( -0.795 0.202 4.521) 4.595 13.159 ( 5.998 4.124 -1.056) 7.355 13.410 ( 10.580 -9.295 10.098) 17.330 13.600 ( 7.125 0.976 -3.060) 7.815 13.864 ( 5.591 2.371 -3.408) 6.964 13.929 ( -0.355 7.678 -8.631) 11.558 14.357 ( 4.698 -1.155 -8.100) 9.435 14.457 ( 3.180 5.507 3.429) 7.225 14.976 ( -2.630 -4.185 -2.067) 5.358 15.040 ( -1.002 8.938 0.048) 8.994 15.291 ( -2.195 9.664 -5.278) 11.228 15.372 ( 2.593 -4.256 19.829) 20.445 15.897 ( 11.236 10.529 7.401) 17.085 16.084 ( 7.067 3.610 13.689) 15.823 16.913 ( -15.065 14.011 -23.011) 30.867 17.457 ( 3.264 4.511 18.370) 19.196 17.730 ( 8.147 -0.226 -20.406) 21.973 17.791 ( 7.387 -33.698 7.347) 35.271 17.992 ( 4.124 -3.360 -12.341) 13.438 18.361 ( 5.040 -13.517 7.447) 16.234 18.573 ( 0.532 -19.247 -2.987) 19.484 18.716 ( 5.181 -5.515 -0.395) 7.577 18.770 ( -4.894 -7.944 -4.244) 10.250 21.269 ( -4.578 13.238 4.723) 14.782 21.347 ( -4.022 12.855 7.904) 15.618 21.608 ( -3.436 1.012 0.279) 3.593 21.838 ( -9.709 -0.052 -7.804) 12.457 ======================= Grid point 209 (73/120) ======================= q-point: ( 0.22 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( 3.727 19.618 10.862) 22.732 3.218 ( 16.062 2.636 23.415) 28.516 3.686 ( 5.433 -5.936 -8.377) 11.615 3.919 ( -6.363 -3.143 -3.051) 7.725 4.148 ( -6.986 -9.031 1.060) 11.467 4.397 ( -9.896 -13.216 -3.425) 16.862 4.711 ( -0.862 0.950 2.108) 2.468 4.927 ( -3.509 1.056 -5.109) 6.287 5.020 ( 0.870 3.774 -11.599) 12.228 5.247 ( -3.349 -0.012 -12.028) 12.485 5.395 ( -1.405 -0.016 -2.656) 3.005 5.684 ( -6.106 -8.420 -3.694) 11.037 7.502 ( 7.927 11.400 12.985) 19.010 7.545 ( 5.769 18.636 10.539) 22.173 8.018 ( 8.331 3.108 0.577) 8.911 8.134 ( 14.376 5.412 3.238) 15.699 8.320 ( 4.204 -5.612 19.813) 21.017 8.719 ( 17.224 -3.332 7.199) 18.963 9.031 ( -0.316 1.247 1.993) 2.372 9.209 ( 8.947 -0.999 15.082) 17.565 9.476 ( -6.318 -1.724 2.730) 7.095 9.573 ( 8.483 -5.658 2.777) 10.568 10.148 ( 2.405 -5.055 -8.456) 10.141 10.496 ( -16.124 14.905 -9.458) 23.908 10.637 ( 9.986 -11.004 -8.729) 17.234 10.843 ( -1.452 5.969 -0.616) 6.173 11.353 ( -4.266 -14.121 3.026) 15.058 11.485 ( -5.161 -5.525 2.676) 8.020 11.952 ( 0.588 9.114 -13.434) 16.244 12.131 ( -18.576 2.949 -19.481) 27.078 12.378 ( -4.909 -0.923 -1.932) 5.356 12.586 ( -4.535 -3.072 1.442) 5.664 12.817 ( 1.892 2.666 1.850) 3.756 13.010 ( 1.226 8.343 6.951) 10.928 13.232 ( 0.978 5.916 -0.416) 6.010 13.579 ( -1.481 -4.162 1.378) 4.628 13.679 ( 0.709 -3.393 -0.080) 3.467 13.841 ( 4.363 4.307 -8.334) 10.347 14.094 ( 6.780 8.689 -6.448) 12.769 14.312 ( -2.210 -7.989 -12.249) 14.790 14.522 ( -4.991 8.232 -6.244) 11.475 15.002 ( 3.643 -7.550 -1.603) 8.534 15.122 ( -1.674 10.004 2.695) 10.495 15.145 ( 9.309 17.683 15.083) 25.037 15.568 ( 10.577 -17.949 8.597) 22.538 16.149 ( 6.939 -1.979 3.203) 7.895 16.300 ( 14.063 13.892 16.323) 25.636 16.677 ( -2.510 14.719 -6.244) 16.184 17.550 ( 5.102 9.614 16.180) 19.500 17.793 ( -0.049 -12.515 -15.254) 19.731 17.951 ( 7.031 -32.092 6.130) 33.420 18.147 ( 8.079 0.604 -8.913) 12.045 18.421 ( -3.768 -9.090 -2.310) 10.108 18.566 ( -2.918 -14.488 0.856) 14.804 18.687 ( 3.585 -11.741 10.793) 16.346 18.838 ( 3.837 -9.324 1.330) 10.170 21.147 ( -6.417 14.415 -1.145) 15.821 21.245 ( -5.140 11.353 2.911) 12.798 21.507 ( -5.973 1.669 -3.196) 6.977 21.583 ( -13.538 3.381 -10.218) 17.295 ======================= Grid point 210 (74/120) ======================= q-point: ( 0.33 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.096 ( 5.717 16.214 3.648) 17.576 3.539 ( 11.692 -4.415 17.155) 21.224 3.703 ( -5.004 -1.263 -7.470) 9.079 3.843 ( -1.503 -3.581 -7.111) 8.103 4.077 ( 2.339 -5.819 -4.056) 7.469 4.194 ( -7.196 -10.942 2.814) 13.396 4.636 ( -5.105 -4.601 0.747) 6.913 4.795 ( -7.394 -3.301 -8.165) 11.499 5.003 ( -2.699 5.831 -5.171) 8.248 5.158 ( -5.754 2.923 -12.727) 14.269 5.410 ( 1.824 -5.231 3.475) 6.540 5.581 ( -3.811 -9.789 0.484) 10.516 7.663 ( 8.815 15.756 14.185) 22.960 7.787 ( 15.917 18.677 7.332) 25.611 8.141 ( 1.970 10.169 3.211) 10.845 8.413 ( 11.311 11.018 2.763) 16.030 8.524 ( 14.278 -12.208 18.919) 26.662 8.969 ( -3.327 -3.320 -0.991) 4.803 9.076 ( 15.551 -1.153 6.756) 16.994 9.246 ( -7.525 -3.077 2.398) 8.476 9.382 ( -1.025 -3.836 8.890) 9.736 9.821 ( 7.226 -3.353 2.324) 8.298 9.954 ( -12.014 4.947 -5.022) 13.929 10.342 ( 0.934 -4.262 -2.956) 5.270 10.746 ( 0.604 -3.259 -7.361) 8.073 10.929 ( 7.597 2.266 -4.558) 9.145 11.204 ( -10.999 -6.737 0.628) 12.913 11.319 ( -7.865 -5.663 9.074) 13.277 11.791 ( -6.763 9.321 -10.689) 15.712 12.042 ( 1.481 6.045 -16.323) 17.469 12.300 ( -2.967 -6.301 -7.825) 10.475 12.523 ( -3.363 -6.548 -6.847) 10.053 12.927 ( 7.641 5.403 -1.013) 9.413 13.051 ( 3.431 11.522 5.170) 13.086 13.214 ( -2.146 5.883 -2.095) 6.603 13.417 ( -7.382 -4.697 -5.894) 10.550 13.714 ( -0.457 11.759 -5.168) 12.853 13.859 ( -4.548 -8.817 -10.669) 14.569 14.139 ( -5.262 8.527 -5.784) 11.569 14.239 ( -3.670 7.448 -9.532) 12.641 14.519 ( 9.900 -2.142 6.387) 11.974 15.069 ( -0.220 -16.823 6.563) 18.059 15.118 ( 6.032 29.565 -2.005) 30.241 15.467 ( 14.333 2.275 15.220) 21.030 15.769 ( 7.835 -17.628 2.480) 19.450 16.045 ( -10.158 8.532 -13.477) 18.910 16.693 ( 21.383 3.893 13.616) 25.647 16.898 ( 18.748 6.307 18.184) 26.868 17.634 ( 1.285 -0.843 7.300) 7.460 17.785 ( 0.462 -6.910 -3.442) 7.734 18.059 ( 2.094 -25.689 5.450) 26.344 18.194 ( -13.495 -0.369 0.784) 13.523 18.277 ( 3.564 -4.363 0.206) 5.638 18.521 ( -1.920 -12.053 1.311) 12.275 18.811 ( 4.804 -14.869 16.444) 22.684 18.866 ( -0.546 -11.929 9.431) 15.217 21.033 ( -3.782 14.929 -9.335) 18.009 21.159 ( -2.632 9.372 -4.411) 10.688 21.310 ( -11.452 7.208 -14.348) 19.722 21.375 ( -6.716 2.425 -7.338) 10.239 ======================= Grid point 211 (75/120) ======================= q-point: ( 0.44 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.257 ( 9.682 10.201 -3.167) 14.416 3.482 ( -10.958 3.339 -5.457) 12.689 3.730 ( 3.730 -8.495 5.636) 10.855 3.792 ( -2.789 -6.955 -0.127) 7.494 4.152 ( 2.835 -4.456 2.986) 6.067 4.180 ( 2.744 0.431 -6.814) 7.359 4.554 ( -0.704 -7.480 -2.174) 7.822 4.640 ( -7.068 -5.683 -7.356) 11.678 4.974 ( 0.979 6.887 -2.612) 7.430 5.041 ( -4.845 6.079 -4.375) 8.920 5.444 ( 2.025 -11.928 3.848) 12.696 5.506 ( -3.596 -12.455 3.536) 13.437 7.862 ( 10.155 19.259 10.528) 24.184 8.063 ( -7.598 17.476 6.137) 20.020 8.190 ( 20.325 12.881 6.189) 24.846 8.522 ( -5.469 8.867 7.448) 12.807 8.817 ( 9.773 -8.238 15.752) 20.285 8.915 ( -3.147 -4.047 3.166) 6.025 9.074 ( 1.342 0.226 -9.469) 9.566 9.270 ( -8.436 -4.692 -1.437) 9.760 9.381 ( 9.437 -0.351 8.234) 12.529 9.588 ( -11.382 -1.684 6.255) 13.096 10.121 ( 10.800 -9.405 -4.055) 14.884 10.306 ( -5.954 -10.102 -9.596) 15.152 10.800 ( 5.322 1.334 2.218) 5.918 10.948 ( -7.777 -0.325 4.423) 8.953 11.093 ( 3.775 3.978 -2.926) 6.215 11.184 ( -5.130 0.556 4.105) 6.594 11.793 ( 5.705 8.324 -4.514) 11.055 11.965 ( -8.641 8.856 -7.172) 14.302 12.303 ( 4.215 -9.951 -11.828) 16.021 12.427 ( -6.066 -8.058 -11.744) 15.481 13.042 ( 3.118 5.960 -2.756) 7.269 13.097 ( -2.378 7.414 -1.144) 7.869 13.268 ( 10.259 4.521 -6.887) 13.157 13.381 ( 2.408 -6.741 -13.988) 15.713 13.602 ( -7.064 9.442 -3.873) 12.412 13.684 ( -11.208 -5.835 -9.495) 15.806 14.081 ( 2.870 16.032 -2.551) 16.486 14.174 ( -4.336 17.368 -2.836) 18.124 14.778 ( 12.402 -12.533 12.636) 21.692 14.989 ( -7.227 -15.032 11.847) 20.458 15.320 ( 11.989 26.487 -8.320) 30.241 15.558 ( -7.893 17.294 -5.372) 19.755 15.879 ( 5.148 -7.319 4.670) 10.094 15.945 ( -0.566 -12.587 1.174) 12.654 17.123 ( 18.340 -8.225 6.297) 21.063 17.284 ( 12.046 -3.142 11.519) 16.960 17.572 ( -2.312 -3.014 4.577) 5.948 17.785 ( -9.958 11.100 9.159) 17.500 17.928 ( -0.457 -6.075 8.688) 10.611 18.039 ( -5.554 -16.147 9.167) 19.380 18.358 ( 4.634 -13.502 5.494) 15.296 18.460 ( -4.351 -7.163 2.646) 8.789 18.843 ( 0.816 -14.084 15.504) 20.962 18.868 ( -0.506 -13.671 17.042) 21.854 21.009 ( 1.648 13.551 -15.905) 20.960 21.097 ( -5.975 10.600 -16.844) 20.779 21.170 ( 0.911 6.687 -10.163) 12.199 21.246 ( -5.367 4.177 -10.247) 12.298 ======================= Grid point 216 (76/120) ======================= q-point: ( 0.00 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( 0.000 16.188 12.252) 20.302 3.302 ( 0.000 -14.733 1.148) 14.778 3.469 ( 0.000 24.803 17.095) 30.124 3.901 ( 0.000 -19.100 9.652) 21.400 4.261 ( 0.000 1.378 -7.087) 7.220 4.350 ( 0.000 -7.236 -4.796) 8.681 4.872 ( 0.000 9.079 -1.515) 9.205 4.967 ( 0.000 4.814 -13.385) 14.224 5.176 ( 0.000 -0.295 -7.340) 7.346 5.287 ( 0.000 -8.227 -19.929) 21.560 5.416 ( 0.000 7.181 -4.391) 8.417 5.622 ( 0.000 -12.373 -7.691) 14.568 7.471 ( 0.000 9.549 2.823) 9.958 7.625 ( 0.000 -6.688 3.290) 7.454 7.771 ( 0.000 5.421 4.612) 7.117 7.810 ( 0.000 1.096 -0.612) 1.255 8.214 ( 0.000 4.701 26.448) 26.863 8.394 ( 0.000 -11.694 31.708) 33.796 8.857 ( 0.000 16.539 7.778) 18.277 9.160 ( 0.000 -13.512 3.509) 13.960 9.316 ( 0.000 14.453 6.453) 15.828 9.630 ( 0.000 -17.480 0.979) 17.507 9.978 ( 0.000 3.824 -7.584) 8.494 10.040 ( 0.000 -1.462 -7.509) 7.650 10.919 ( 0.000 5.107 -5.688) 7.645 11.044 ( 0.000 -6.318 -14.156) 15.502 11.524 ( 0.000 1.228 10.645) 10.716 11.544 ( 0.000 -0.657 10.463) 10.484 12.041 ( 0.000 20.483 -22.473) 30.407 12.459 ( 0.000 -20.491 -19.413) 28.226 12.755 ( 0.000 2.521 5.643) 6.180 12.792 ( 0.000 -1.247 1.650) 2.069 12.945 ( 0.000 3.891 -6.513) 7.587 13.060 ( 0.000 -5.690 -4.586) 7.308 13.104 ( 0.000 1.018 6.040) 6.125 13.174 ( 0.000 -6.268 4.543) 7.741 13.542 ( 0.000 11.737 8.836) 14.691 13.726 ( 0.000 -5.263 9.616) 10.962 14.146 ( 0.000 7.221 -10.676) 12.889 14.259 ( 0.000 -3.502 -8.930) 9.592 14.573 ( 0.000 11.346 7.735) 13.731 14.833 ( 0.000 -13.608 12.823) 18.698 15.153 ( 0.000 3.105 -4.016) 5.076 15.198 ( 0.000 -1.038 -0.966) 1.418 15.682 ( 0.000 12.927 6.687) 14.554 15.900 ( 0.000 -7.929 0.442) 7.941 16.314 ( 0.000 32.386 12.981) 34.890 17.006 ( 0.000 -36.722 9.539) 37.940 17.360 ( 0.000 8.661 -18.289) 20.236 17.443 ( 0.000 0.318 4.836) 4.847 17.669 ( 0.000 6.598 -11.009) 12.835 17.833 ( 0.000 -9.094 -3.410) 9.712 18.132 ( 0.000 -2.367 -4.666) 5.233 18.232 ( 0.000 -12.195 -9.193) 15.272 18.617 ( 0.000 0.878 0.353) 0.947 18.685 ( 0.000 -5.995 -2.442) 6.473 21.525 ( 0.000 8.120 4.476) 9.272 21.629 ( 0.000 -2.782 2.720) 3.891 21.650 ( 0.000 12.370 3.476) 12.849 21.851 ( 0.000 -7.948 -2.378) 8.296 ======================= Grid point 217 (77/120) ======================= q-point: ( 0.11 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.076 ( 7.894 14.072 11.636) 19.893 3.347 ( 3.268 -10.638 2.369) 11.378 3.481 ( 1.852 20.407 14.125) 24.888 3.872 ( -2.611 -16.928 8.093) 18.944 4.190 ( -6.321 1.745 -6.318) 9.106 4.306 ( -4.774 -9.511 -5.316) 11.895 4.843 ( -2.853 7.884 -0.397) 8.394 4.974 ( -1.246 -1.565 -6.851) 7.137 5.130 ( -2.277 4.569 -13.248) 14.197 5.268 ( -1.417 -6.083 -19.217) 20.206 5.425 ( 0.466 6.128 -4.672) 7.720 5.603 ( -1.974 -10.534 -6.890) 12.741 7.556 ( 7.275 8.927 6.133) 13.047 7.659 ( 4.001 0.099 6.137) 7.327 7.842 ( 6.604 2.785 6.640) 9.770 7.898 ( 7.406 -0.761 2.119) 7.740 8.334 ( 11.064 0.375 19.862) 22.739 8.368 ( -0.426 -1.340 23.540) 23.582 8.949 ( 7.592 8.776 9.286) 14.862 9.188 ( 3.222 -13.506 3.052) 14.216 9.296 ( -1.898 12.628 7.065) 14.594 9.553 ( -6.155 -12.653 2.367) 14.269 10.046 ( 6.517 6.127 -5.978) 10.759 10.192 ( 11.317 -7.438 -4.681) 14.329 10.945 ( 1.611 4.937 -6.987) 8.705 11.012 ( -4.010 0.085 -12.628) 13.250 11.359 ( -13.596 1.548 2.264) 13.870 11.445 ( -6.106 -4.886 5.429) 9.520 12.102 ( 2.267 13.209 -15.934) 20.821 12.370 ( -8.529 -12.806 -19.697) 24.994 12.636 ( -12.067 5.974 5.521) 14.553 12.752 ( -12.992 -4.716 6.530) 15.287 12.836 ( -1.440 2.804 -0.556) 3.201 12.923 ( 5.487 -4.553 1.528) 7.291 13.214 ( 5.937 1.680 -1.791) 6.425 13.300 ( 7.480 -5.520 1.468) 9.412 13.691 ( 8.568 10.236 5.657) 14.498 13.856 ( 8.130 -4.502 5.158) 10.629 14.099 ( -1.557 8.101 -10.234) 13.145 14.246 ( -2.797 -7.299 -14.271) 16.271 14.652 ( 7.186 12.117 12.206) 18.640 14.878 ( 3.557 -8.652 9.478) 13.317 15.113 ( -3.508 1.316 -7.500) 8.384 15.175 ( -1.289 -5.238 -1.561) 5.616 15.655 ( -1.975 16.241 9.262) 18.801 15.908 ( 2.218 -9.153 6.773) 11.600 16.405 ( 8.653 29.235 14.901) 33.935 17.054 ( 3.867 -31.801 8.407) 33.121 17.237 ( -8.612 11.215 -18.075) 22.948 17.496 ( 2.204 -8.100 -6.896) 10.864 17.726 ( 2.921 5.375 0.698) 6.157 17.894 ( 8.782 -8.191 0.986) 12.050 18.199 ( 5.407 -0.816 -4.587) 7.138 18.294 ( 4.438 -9.541 -5.912) 12.070 18.631 ( 1.145 -2.425 -0.699) 2.771 18.646 ( -3.461 -4.064 -1.520) 5.550 21.483 ( -3.876 8.350 2.775) 9.615 21.572 ( -5.209 4.381 2.048) 7.108 21.612 ( -3.475 4.223 1.362) 5.636 21.773 ( -7.087 -6.551 -3.430) 10.243 ======================= Grid point 218 (78/120) ======================= q-point: ( 0.22 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( 10.751 8.678 8.613) 16.281 3.379 ( 0.280 6.736 9.215) 11.418 3.595 ( 8.445 2.676 4.517) 9.944 3.816 ( -1.863 -10.609 2.118) 10.978 4.028 ( -8.041 0.036 -3.696) 8.850 4.146 ( -9.845 -10.894 -3.676) 15.137 4.746 ( -6.258 4.021 0.249) 7.443 4.862 ( -7.940 -6.630 -3.201) 10.829 5.134 ( 0.656 6.494 -14.657) 16.044 5.232 ( -2.342 -2.928 -16.664) 17.080 5.421 ( -1.091 4.051 -3.814) 5.670 5.536 ( -4.372 -6.975 -4.723) 9.491 7.720 ( 8.714 11.914 16.039) 21.797 7.852 ( 14.132 6.944 3.680) 16.171 8.019 ( 9.351 -4.439 14.992) 18.218 8.054 ( 7.345 -4.422 5.727) 10.310 8.459 ( 9.964 13.272 9.184) 18.968 8.646 ( 17.113 -5.353 10.968) 21.019 9.091 ( 2.412 6.437 1.142) 6.968 9.243 ( -0.967 3.436 7.756) 8.538 9.328 ( 9.998 -12.086 5.183) 16.520 9.399 ( -8.194 -9.000 7.354) 14.220 10.192 ( 5.473 8.624 -3.063) 10.663 10.402 ( 4.998 -11.762 -3.720) 13.310 10.798 ( -10.697 13.615 -10.187) 20.089 11.025 ( 3.596 4.368 -5.596) 7.958 11.085 ( -11.562 -4.712 -1.056) 12.530 11.317 ( -6.333 -11.876 0.162) 13.460 12.089 ( -2.708 4.757 -12.155) 13.331 12.144 ( -11.183 -1.116 -16.394) 19.876 12.402 ( -8.292 3.294 -3.187) 9.475 12.494 ( -7.712 -5.601 -1.360) 9.628 12.943 ( 7.495 8.939 2.285) 11.888 13.080 ( 6.900 -1.828 5.390) 8.945 13.302 ( 1.821 1.337 -1.794) 2.885 13.412 ( 2.232 -8.838 1.265) 9.202 13.749 ( -2.302 12.462 0.554) 12.685 13.965 ( 3.514 -2.053 -4.284) 5.909 14.135 ( -2.179 -2.201 -6.657) 7.342 14.191 ( 2.885 -2.652 -8.069) 8.970 14.760 ( 1.227 15.995 -0.285) 16.044 14.964 ( 2.576 5.880 1.366) 6.563 15.083 ( 5.393 -9.452 3.445) 11.415 15.199 ( 4.029 -16.608 1.803) 17.185 15.656 ( 2.904 23.860 8.495) 25.493 16.012 ( 7.184 -12.557 9.659) 17.395 16.651 ( 13.856 23.272 16.173) 31.546 17.012 ( -8.305 20.302 -13.324) 25.665 17.211 ( 7.403 -33.015 9.405) 35.117 17.441 ( -5.514 -22.385 -13.844) 26.891 17.881 ( 10.437 14.250 13.074) 21.976 18.105 ( 8.707 -6.731 0.888) 11.041 18.304 ( 3.765 -1.423 -2.318) 4.644 18.377 ( 3.335 -8.126 4.670) 9.948 18.543 ( -5.580 0.717 1.325) 5.780 18.658 ( 0.410 -8.738 -0.493) 8.761 21.376 ( -5.878 8.705 -1.993) 10.691 21.437 ( -7.001 6.158 -1.701) 9.477 21.514 ( -5.652 0.052 -2.850) 6.331 21.585 ( -10.017 -3.121 -6.746) 12.473 ======================= Grid point 219 (79/120) ======================= q-point: ( 0.33 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.379 ( 1.537 10.577 2.991) 11.099 3.479 ( 5.497 -2.217 11.532) 12.966 3.707 ( -2.335 3.040 -2.329) 4.485 3.791 ( -3.014 -2.774 -6.985) 8.097 3.969 ( 3.431 -4.390 0.197) 5.575 3.993 ( 2.855 -7.817 2.835) 8.792 4.596 ( -8.024 1.459 -0.416) 8.167 4.686 ( -8.745 -6.606 -5.114) 12.094 5.114 ( -1.976 4.741 -7.738) 9.288 5.172 ( -2.607 -1.248 -11.770) 12.120 5.364 ( -4.500 0.721 -1.874) 4.928 5.429 ( -5.653 -5.706 -1.334) 8.142 7.945 ( 12.524 14.761 15.570) 24.843 8.133 ( 10.188 10.879 11.018) 18.536 8.250 ( 15.030 -8.403 7.795) 18.902 8.271 ( 13.033 -3.338 12.894) 18.635 8.696 ( 9.850 16.885 5.771) 20.382 8.963 ( 5.372 -5.727 2.638) 8.284 8.996 ( -1.291 1.867 4.853) 5.357 9.151 ( -11.103 -7.630 4.112) 14.085 9.368 ( 6.218 4.089 5.405) 9.198 9.577 ( 12.178 -16.522 -0.166) 20.526 10.100 ( -17.236 10.433 -13.988) 24.528 10.289 ( -10.093 -6.639 -9.406) 15.311 10.772 ( 5.596 7.817 2.100) 9.840 10.947 ( -0.011 -5.394 8.256) 9.862 11.105 ( 3.288 0.347 -4.091) 5.260 11.192 ( -4.864 -6.407 2.168) 8.331 11.952 ( -4.889 7.093 -12.672) 15.323 12.062 ( -0.208 -3.849 -12.991) 13.551 12.285 ( -4.557 4.270 -9.876) 11.685 12.395 ( -3.789 -6.427 -8.666) 11.435 13.065 ( 3.141 7.958 -2.900) 9.034 13.182 ( 3.599 -0.881 -0.007) 3.705 13.272 ( -3.294 3.798 -2.044) 5.427 13.399 ( -2.658 -3.823 0.041) 4.657 13.733 ( 0.893 7.796 -0.760) 7.884 13.980 ( -1.913 -1.753 -1.758) 3.134 14.040 ( -4.296 -0.325 -4.770) 6.428 14.254 ( 0.671 -9.193 2.024) 9.437 14.787 ( 3.415 22.992 -2.800) 23.412 15.002 ( 1.838 12.481 0.438) 12.623 15.268 ( 8.380 -20.907 2.881) 22.707 15.331 ( 7.814 -17.950 4.986) 20.202 15.779 ( 8.871 28.551 1.597) 29.940 16.174 ( 7.219 -5.612 0.629) 9.165 16.783 ( -5.321 9.931 -6.769) 13.143 16.973 ( 4.750 0.577 6.372) 7.968 17.344 ( 4.618 -14.826 3.699) 15.963 17.453 ( 11.602 -20.660 11.971) 26.547 18.070 ( 5.399 14.723 9.824) 18.505 18.202 ( 1.284 4.599 5.936) 7.618 18.299 ( -6.960 -5.009 6.872) 10.989 18.397 ( -0.087 2.190 2.976) 3.695 18.505 ( 2.885 -12.602 11.546) 17.333 18.628 ( -3.025 -11.983 5.433) 13.501 21.262 ( -4.429 8.209 -8.422) 12.567 21.309 ( -4.734 4.665 -7.399) 9.946 21.385 ( -7.677 0.239 -10.581) 13.075 21.394 ( -6.310 -0.142 -8.667) 10.722 ======================= Grid point 220 (80/120) ======================= q-point: ( 0.44 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.440 ( 4.418 7.897 0.048) 9.049 3.539 ( -1.410 0.860 4.931) 5.200 3.598 ( -2.250 -3.150 -1.768) 4.255 3.668 ( -5.867 -5.983 0.344) 8.387 4.133 ( 10.558 3.156 1.232) 11.088 4.202 ( 9.661 -0.280 -5.829) 11.287 4.416 ( -7.745 -3.416 -0.874) 8.510 4.494 ( -9.748 -8.209 -5.803) 14.003 5.100 ( 1.497 5.916 -3.082) 6.836 5.145 ( -0.926 3.827 -3.484) 5.257 5.265 ( -2.882 -5.690 -0.352) 6.387 5.309 ( -5.359 -7.629 0.519) 9.337 8.206 ( 11.620 15.538 13.986) 23.918 8.359 ( 5.998 8.012 10.559) 14.549 8.404 ( 5.121 7.626 15.971) 18.424 8.564 ( 4.001 -8.050 16.509) 18.798 8.805 ( 4.393 11.172 4.332) 12.763 8.863 ( -3.121 -0.048 2.039) 3.729 8.983 ( -0.541 -7.131 -0.631) 7.180 9.089 ( -2.932 -12.345 4.306) 13.399 9.498 ( 6.343 11.416 -5.474) 14.161 9.703 ( -14.631 13.661 -12.816) 23.768 9.815 ( 9.242 -18.503 -8.257) 22.270 10.038 ( -12.186 -17.398 -14.115) 25.503 10.916 ( 7.041 8.976 9.147) 14.622 11.006 ( 1.215 3.705 5.298) 6.578 11.104 ( -0.809 -2.457 3.430) 4.297 11.145 ( -1.478 -4.040 2.414) 4.933 11.962 ( 5.724 8.636 -9.483) 14.045 12.112 ( 2.338 -2.006 -12.105) 12.491 12.148 ( -5.647 1.581 -8.831) 10.600 12.279 ( -7.576 -7.219 -11.081) 15.241 13.136 ( 4.489 4.214 -6.960) 9.293 13.186 ( -0.440 1.197 -7.175) 7.287 13.268 ( 0.130 -1.423 -7.999) 8.125 13.320 ( -4.430 -3.255 -8.152) 9.832 13.749 ( 2.282 13.790 2.847) 14.264 13.861 ( -7.338 16.786 2.210) 18.453 14.079 ( 6.178 -15.617 6.411) 17.976 14.207 ( -4.898 -14.985 6.570) 17.080 14.899 ( 6.140 23.463 -0.378) 24.256 14.999 ( -2.718 19.324 0.877) 19.534 15.408 ( 4.852 -24.359 0.067) 24.838 15.445 ( 1.885 -21.827 3.110) 22.128 16.013 ( 12.571 32.106 -5.332) 34.889 16.223 ( -4.850 26.365 -9.130) 28.320 16.732 ( 3.574 -27.625 -2.347) 27.954 16.892 ( -9.003 -29.017 -4.956) 30.783 17.633 ( 19.021 5.124 17.916) 26.628 17.747 ( 14.868 -6.307 14.918) 21.986 18.008 ( -11.964 7.650 13.154) 19.357 18.025 ( -13.989 3.860 11.944) 18.795 18.294 ( 4.703 7.466 9.889) 13.253 18.379 ( -2.862 0.754 4.816) 5.653 18.553 ( 1.312 -14.678 12.775) 19.503 18.576 ( -1.197 -15.031 13.520) 20.252 21.210 ( -0.316 6.752 -13.472) 15.073 21.247 ( -2.628 4.462 -13.181) 14.161 21.261 ( -1.999 2.084 -12.867) 13.187 21.292 ( -3.566 0.161 -11.603) 12.139 ======================= Grid point 252 (81/120) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.066 ( 0.000 0.000 31.214) 31.214 3.407 ( 0.000 0.000 29.850) 29.850 3.605 ( 0.000 0.000 0.232) 0.232 3.792 ( 0.000 0.000 -11.877) 11.877 4.102 ( 0.000 0.000 -5.094) 5.094 4.331 ( 0.000 0.000 -22.148) 22.148 4.920 ( 0.000 0.000 2.588) 2.588 4.985 ( 0.000 0.000 0.866) 0.866 5.097 ( 0.000 0.000 -6.469) 6.469 5.151 ( 0.000 0.000 -12.961) 12.961 5.526 ( 0.000 0.000 17.743) 17.743 6.021 ( 0.000 0.000 -8.393) 8.393 7.049 ( 0.000 0.000 11.037) 11.037 7.524 ( 0.000 0.000 -9.904) 9.904 7.835 ( 0.000 0.000 6.526) 6.526 7.911 ( 0.000 0.000 0.634) 0.634 8.574 ( 0.000 0.000 15.670) 15.670 8.640 ( 0.000 0.000 20.714) 20.714 8.917 ( 0.000 0.000 10.352) 10.352 9.180 ( 0.000 0.000 -15.133) 15.133 9.488 ( 0.000 0.000 32.748) 32.748 9.560 ( 0.000 0.000 -13.681) 13.681 9.639 ( 0.000 0.000 -5.360) 5.360 10.347 ( 0.000 0.000 -10.044) 10.044 10.528 ( 0.000 0.000 -20.137) 20.137 10.708 ( 0.000 0.000 -33.797) 33.797 11.346 ( 0.000 0.000 20.427) 20.427 11.689 ( 0.000 0.000 3.722) 3.722 11.770 ( 0.000 0.000 -0.379) 0.379 12.294 ( 0.000 0.000 -23.563) 23.563 12.777 ( 0.000 0.000 9.066) 9.066 12.948 ( 0.000 0.000 14.155) 14.155 13.111 ( 0.000 0.000 -10.695) 10.695 13.213 ( 0.000 0.000 1.747) 1.747 13.227 ( 0.000 0.000 5.550) 5.550 13.260 ( 0.000 0.000 11.743) 11.743 13.559 ( 0.000 0.000 -10.410) 10.410 13.745 ( 0.000 0.000 -13.084) 13.084 14.058 ( 0.000 0.000 5.562) 5.562 14.135 ( 0.000 0.000 23.617) 23.617 14.375 ( 0.000 0.000 0.936) 0.936 14.801 ( 0.000 0.000 -6.819) 6.819 14.837 ( 0.000 0.000 -2.712) 2.712 15.253 ( 0.000 0.000 9.260) 9.260 15.314 ( 0.000 0.000 -19.195) 19.195 15.777 ( 0.000 0.000 28.947) 28.947 16.244 ( 0.000 0.000 -28.349) 28.349 16.441 ( 0.000 0.000 31.657) 31.657 16.993 ( 0.000 0.000 -26.871) 26.871 17.615 ( 0.000 0.000 -26.475) 26.475 17.907 ( 0.000 0.000 22.318) 22.318 18.525 ( 0.000 0.000 6.698) 6.698 18.732 ( 0.000 0.000 -1.217) 1.217 18.740 ( 0.000 0.000 -16.018) 16.018 18.902 ( 0.000 0.000 5.298) 5.298 19.104 ( 0.000 0.000 -4.854) 4.854 21.171 ( 0.000 0.000 12.849) 12.849 21.346 ( 0.000 0.000 11.791) 11.791 21.595 ( 0.000 0.000 -1.908) 1.908 21.670 ( 0.000 0.000 -11.984) 11.984 ======================= Grid point 253 (82/120) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.016 ( -4.318 0.000 26.505) 26.855 3.499 ( 8.488 0.000 27.664) 28.937 3.532 ( -2.731 0.000 -7.835) 8.297 4.010 ( 12.854 0.000 -4.628) 13.662 4.149 ( 4.336 0.000 -4.339) 6.134 4.422 ( 7.606 0.000 -19.765) 21.178 4.825 ( -6.423 0.000 1.922) 6.705 4.853 ( -10.940 0.000 1.651) 11.064 5.027 ( -6.374 0.000 -6.526) 9.122 5.082 ( -6.585 0.000 -12.797) 14.392 5.568 ( 3.188 0.000 15.570) 15.893 5.978 ( -3.635 0.000 -6.730) 7.649 7.100 ( 4.365 0.000 11.503) 12.303 7.602 ( 6.304 0.000 -10.806) 12.510 7.798 ( -6.037 0.000 13.843) 15.102 7.875 ( 2.265 0.000 2.080) 3.075 8.653 ( 0.957 0.000 10.583) 10.626 8.678 ( 9.562 0.000 15.898) 18.552 9.038 ( 10.212 0.000 10.683) 14.779 9.220 ( 4.062 0.000 -12.064) 12.730 9.529 ( 4.177 0.000 31.063) 31.343 9.581 ( -3.240 0.000 -7.497) 8.167 9.807 ( 18.013 0.000 -17.315) 24.986 10.263 ( -4.615 0.000 -4.350) 6.342 10.514 ( -1.166 0.000 -17.942) 17.980 10.868 ( 11.674 0.000 -29.335) 31.573 11.243 ( -9.116 0.000 14.875) 17.446 11.732 ( 3.551 0.000 2.146) 4.149 11.745 ( -2.068 0.000 1.002) 2.298 12.058 ( -20.916 0.000 -23.657) 31.577 12.768 ( -12.957 0.000 14.194) 19.218 12.774 ( 0.044 0.000 10.237) 10.237 13.072 ( -13.012 0.000 5.447) 14.106 13.099 ( -6.457 0.000 6.778) 9.361 13.147 ( 0.803 0.000 -7.918) 7.959 13.282 ( 2.276 0.000 6.633) 7.013 13.540 ( -1.814 0.000 -14.691) 14.803 13.758 ( -2.555 0.000 -13.182) 13.427 14.055 ( -1.382 0.000 -1.416) 1.978 14.349 ( 15.576 0.000 21.636) 26.659 14.387 ( -0.644 0.000 -3.619) 3.676 14.817 ( -4.749 0.000 11.596) 12.531 14.824 ( 3.129 0.000 2.475) 3.989 15.283 ( 8.643 0.000 -3.240) 9.231 15.400 ( 10.816 0.000 -16.439) 19.678 15.941 ( 0.205 0.000 -4.547) 4.552 16.123 ( 4.420 0.000 6.938) 8.226 16.516 ( 6.936 0.000 31.721) 32.471 17.205 ( 15.973 0.000 -26.523) 30.961 17.675 ( 5.792 0.000 -25.148) 25.806 17.855 ( -3.897 0.000 22.421) 22.758 18.594 ( -1.591 0.000 -10.034) 10.159 18.755 ( 9.199 0.000 0.695) 9.225 18.841 ( 8.382 0.000 -1.409) 8.499 18.921 ( 1.793 0.000 5.182) 5.483 19.116 ( 1.075 0.000 -4.561) 4.686 21.058 ( -10.605 0.000 11.268) 15.474 21.286 ( -5.569 0.000 10.988) 12.319 21.523 ( -13.526 0.000 -11.566) 17.796 21.536 ( -5.580 0.000 -2.591) 6.152 ======================= Grid point 254 (83/120) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( -4.513 0.000 18.351) 18.898 3.493 ( -2.097 0.000 -14.050) 14.206 3.734 ( 13.227 0.000 22.238) 25.874 4.105 ( -4.615 0.000 1.834) 4.966 4.270 ( 6.811 0.000 -2.064) 7.117 4.462 ( -9.581 0.000 -11.668) 15.098 4.712 ( 0.784 0.000 -3.815) 3.894 4.792 ( 4.631 0.000 -1.847) 4.986 4.856 ( -9.244 0.000 -6.574) 11.343 4.888 ( -11.397 0.000 -12.391) 16.835 5.662 ( 6.924 0.000 12.586) 14.365 5.914 ( -1.305 0.000 -2.746) 3.041 7.203 ( 5.026 0.000 11.438) 12.494 7.707 ( -1.274 0.000 19.835) 19.876 7.716 ( 3.021 0.000 -12.018) 12.392 7.999 ( 9.682 0.000 3.180) 10.190 8.690 ( 2.733 0.000 -1.213) 2.990 8.938 ( 14.084 0.000 18.010) 22.863 9.223 ( 0.838 0.000 -4.318) 4.398 9.354 ( 8.534 0.000 -3.568) 9.250 9.499 ( 1.611 0.000 4.867) 5.127 9.679 ( 10.449 0.000 24.603) 26.730 10.191 ( -2.654 0.000 9.447) 9.812 10.241 ( 20.929 0.000 -17.572) 27.328 10.489 ( -0.952 0.000 -13.217) 13.251 11.016 ( -11.497 0.000 2.738) 11.818 11.112 ( 10.768 0.000 -27.243) 29.294 11.522 ( -28.094 0.000 -21.508) 35.382 11.671 ( -4.602 0.000 4.150) 6.197 11.816 ( 2.685 0.000 0.812) 2.805 12.526 ( -8.590 0.000 10.256) 13.378 12.785 ( 0.762 0.000 11.451) 11.476 12.801 ( -11.258 0.000 3.419) 11.766 12.956 ( -5.573 0.000 5.285) 7.681 13.207 ( 3.097 0.000 -4.699) 5.627 13.273 ( -4.159 0.000 6.559) 7.766 13.511 ( 0.135 0.000 -18.578) 18.578 13.629 ( -7.724 0.000 -10.339) 12.906 13.977 ( -5.612 0.000 -10.395) 11.813 14.195 ( -15.694 0.000 -16.235) 22.580 14.443 ( -8.834 0.000 17.299) 19.424 14.857 ( 8.846 0.000 10.645) 13.841 15.087 ( 20.774 0.000 19.280) 28.342 15.517 ( 7.597 0.000 -7.724) 10.834 15.763 ( 21.991 0.000 -14.414) 26.294 15.781 ( -0.639 0.000 -15.526) 15.539 16.518 ( 23.450 0.000 28.589) 36.976 16.694 ( 8.552 0.000 31.875) 33.002 17.535 ( 14.055 0.000 -22.198) 26.273 17.783 ( -1.005 0.000 11.500) 11.544 17.849 ( 8.697 0.000 -14.124) 16.587 18.456 ( -7.657 0.000 -12.192) 14.397 18.976 ( 3.472 0.000 4.834) 5.952 19.022 ( 8.869 0.000 3.418) 9.505 19.077 ( 16.387 0.000 3.833) 16.829 19.148 ( 1.962 0.000 -3.626) 4.123 20.748 ( -18.392 0.000 6.333) 19.452 21.129 ( -8.935 0.000 8.282) 12.183 21.145 ( -21.520 0.000 -12.137) 24.706 21.372 ( -9.760 0.000 -4.467) 10.734 ======================= Grid point 255 (84/120) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( -0.135 0.000 9.241) 9.242 3.391 ( -8.688 0.000 -17.458) 19.500 3.965 ( -5.161 0.000 2.793) 5.868 4.008 ( 11.986 0.000 15.367) 19.489 4.222 ( -10.812 0.000 -6.098) 12.413 4.403 ( 4.690 0.000 2.583) 5.355 4.639 ( -10.564 0.000 -11.450) 15.579 4.683 ( -6.792 0.000 -7.767) 10.318 4.727 ( 0.233 0.000 -1.415) 1.434 4.852 ( -0.739 0.000 -4.854) 4.910 5.859 ( 9.867 0.000 7.498) 12.393 5.939 ( 3.214 0.000 1.141) 3.411 7.305 ( 4.964 0.000 8.825) 10.125 7.699 ( -4.312 0.000 -9.715) 10.629 7.768 ( 7.499 0.000 17.701) 19.224 8.275 ( 16.206 0.000 3.525) 16.585 8.708 ( -4.823 0.000 -11.356) 12.338 9.054 ( -9.305 0.000 -15.188) 17.812 9.223 ( 13.077 0.000 20.781) 24.553 9.541 ( 8.116 0.000 7.041) 10.745 9.684 ( 10.604 0.000 23.611) 25.883 9.932 ( 11.752 0.000 13.699) 18.049 10.125 ( -3.306 0.000 18.789) 19.078 10.485 ( 0.328 0.000 -11.712) 11.716 10.645 ( 17.399 0.000 -13.237) 21.862 10.772 ( -13.211 0.000 -6.658) 14.794 11.001 ( -17.761 0.000 -16.607) 24.316 11.291 ( 5.852 0.000 -26.489) 27.128 11.559 ( -5.725 0.000 9.421) 11.024 11.794 ( -4.810 0.000 1.283) 4.978 12.426 ( -1.930 0.000 0.507) 1.996 12.642 ( -4.638 0.000 -3.862) 6.035 12.782 ( -1.130 0.000 6.452) 6.550 12.875 ( -2.728 0.000 2.738) 3.865 13.120 ( -7.349 0.000 4.847) 8.804 13.265 ( 3.481 0.000 -1.152) 3.667 13.492 ( -6.403 0.000 -12.427) 13.980 13.566 ( 3.666 0.000 -13.252) 13.749 13.813 ( -9.505 0.000 -8.221) 12.568 13.917 ( -8.439 0.000 -13.183) 15.653 14.236 ( -7.502 0.000 10.228) 12.684 14.831 ( -11.532 0.000 -12.239) 16.816 15.573 ( 24.142 0.000 20.779) 31.853 15.678 ( 11.932 0.000 6.980) 13.824 15.935 ( 8.392 0.000 -1.618) 8.547 16.238 ( 21.139 0.000 -12.214) 24.413 16.797 ( 1.140 0.000 28.616) 28.639 17.014 ( 23.282 0.000 23.296) 32.936 17.743 ( 4.948 0.000 -12.621) 13.556 17.746 ( -8.138 0.000 -7.181) 10.853 18.011 ( 10.264 0.000 3.640) 10.890 18.451 ( 9.379 0.000 -6.403) 11.356 19.062 ( 4.614 0.000 4.262) 6.281 19.129 ( 1.342 0.000 12.273) 12.346 19.190 ( 1.786 0.000 -1.701) 2.466 19.392 ( 11.675 0.000 7.081) 13.654 20.338 ( -19.121 0.000 -4.446) 19.631 20.681 ( -21.656 0.000 -16.356) 27.138 20.947 ( -7.484 0.000 3.034) 8.076 21.149 ( -11.045 0.000 -6.761) 12.950 ======================= Grid point 256 (85/120) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.934 ( 7.407 0.000 -1.634) 7.585 3.152 ( -12.527 0.000 -11.769) 17.188 3.939 ( 2.170 0.000 -1.648) 2.725 4.036 ( -6.916 0.000 -4.579) 8.294 4.208 ( 7.469 0.000 7.405) 10.518 4.358 ( -7.391 0.000 3.009) 7.980 4.561 ( 1.682 0.000 -6.978) 7.177 4.597 ( -2.003 0.000 -6.033) 6.357 4.742 ( 1.680 0.000 0.147) 1.686 4.798 ( -3.329 0.000 -1.966) 3.866 5.994 ( 3.342 0.000 4.846) 5.886 6.011 ( 2.067 0.000 4.087) 4.580 7.421 ( 6.346 0.000 3.402) 7.200 7.568 ( -7.371 0.000 -3.598) 8.203 8.023 ( 16.502 0.000 7.805) 18.255 8.408 ( -18.103 0.000 -0.462) 18.109 8.644 ( 15.476 0.000 -7.477) 17.188 8.909 ( -8.459 0.000 -9.463) 12.693 9.483 ( 11.306 0.000 20.958) 23.813 9.630 ( -1.131 0.000 17.395) 17.432 9.884 ( 8.872 0.000 23.570) 25.185 10.041 ( -5.584 0.000 19.404) 20.191 10.113 ( 6.949 0.000 -1.551) 7.120 10.327 ( -14.127 0.000 -13.035) 19.222 10.671 ( 5.551 0.000 -6.976) 8.915 10.799 ( -5.960 0.000 -10.992) 12.504 10.981 ( 15.241 0.000 -3.485) 15.635 11.262 ( -9.997 0.000 -6.200) 11.763 11.527 ( 4.266 0.000 -3.397) 5.453 11.657 ( -7.191 0.000 -3.393) 7.951 12.427 ( 2.376 0.000 -4.881) 5.428 12.527 ( -6.496 0.000 -7.372) 9.825 12.770 ( 0.622 0.000 0.735) 0.962 12.813 ( -3.098 0.000 -0.359) 3.118 13.110 ( 6.420 0.000 -4.227) 7.687 13.307 ( -10.714 0.000 -13.266) 17.052 13.387 ( 8.023 0.000 4.379) 9.141 13.553 ( -5.929 0.000 1.643) 6.152 13.715 ( 0.410 0.000 -4.350) 4.369 13.783 ( -5.200 0.000 -8.236) 9.740 14.242 ( 8.682 0.000 -7.549) 11.505 14.520 ( -15.910 0.000 -15.737) 22.378 15.921 ( 9.300 0.000 9.616) 13.378 16.025 ( -0.306 0.000 5.115) 5.125 16.052 ( 21.002 0.000 20.707) 29.493 16.396 ( -9.242 0.000 14.214) 16.955 16.967 ( 19.055 0.000 -1.905) 19.150 17.411 ( -20.773 0.000 -12.361) 24.173 17.452 ( 17.761 0.000 13.663) 22.408 17.720 ( -7.264 0.000 0.668) 7.295 18.351 ( 18.915 0.000 11.589) 22.183 18.622 ( -1.584 0.000 0.121) 1.589 19.155 ( 3.830 0.000 3.415) 5.132 19.167 ( 7.957 0.000 20.484) 21.975 19.205 ( -0.745 0.000 1.289) 1.489 19.434 ( -10.077 0.000 18.611) 21.165 20.106 ( 0.686 0.000 -22.853) 22.863 20.293 ( -14.704 0.000 -22.423) 26.814 20.859 ( -0.209 0.000 -3.702) 3.708 20.943 ( -7.766 0.000 -7.422) 10.743 ======================= Grid point 261 (86/120) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.177 ( 0.000 10.968 28.844) 30.859 3.272 ( 0.000 -9.123 23.566) 25.271 3.547 ( 0.000 -5.071 -1.216) 5.214 3.950 ( 0.000 11.948 -8.156) 14.466 4.158 ( 0.000 4.606 -3.674) 5.892 4.360 ( 0.000 3.184 -21.193) 21.431 4.818 ( 0.000 -13.869 1.642) 13.965 4.824 ( 0.000 -8.017 0.129) 8.019 5.150 ( 0.000 1.872 -4.773) 5.126 5.154 ( 0.000 -0.725 -11.199) 11.223 5.488 ( 0.000 -3.750 11.984) 12.557 5.920 ( 0.000 -9.480 -9.021) 13.086 7.139 ( 0.000 8.499 10.049) 13.161 7.561 ( 0.000 3.025 -9.113) 9.602 7.837 ( 0.000 0.290 6.577) 6.583 7.901 ( 0.000 -0.967 1.679) 1.937 8.581 ( 0.000 -0.042 17.595) 17.595 8.670 ( 0.000 4.767 21.860) 22.373 8.911 ( 0.000 -0.032 6.403) 6.403 9.289 ( 0.000 8.163 -10.762) 13.507 9.479 ( 0.000 0.179 31.386) 31.387 9.603 ( 0.000 4.289 -12.531) 13.244 9.627 ( 0.000 -0.569 -5.768) 5.796 10.153 ( 0.000 -12.837 -8.771) 15.547 10.686 ( 0.000 8.898 -18.505) 20.533 10.795 ( 0.000 8.929 -31.330) 32.578 11.322 ( 0.000 -3.133 17.898) 18.170 11.679 ( 0.000 -0.717 3.652) 3.722 11.720 ( 0.000 -4.131 1.483) 4.389 12.271 ( 0.000 -2.575 -26.056) 26.183 12.862 ( 0.000 5.674 11.524) 12.845 13.010 ( 0.000 8.097 12.018) 14.491 13.047 ( 0.000 -7.381 5.198) 9.028 13.174 ( 0.000 -2.418 2.115) 3.213 13.259 ( 0.000 -0.877 3.936) 4.032 13.360 ( 0.000 12.065 -4.391) 12.839 13.444 ( 0.000 -9.993 -11.051) 14.900 13.612 ( 0.000 -11.522 -5.385) 12.718 14.023 ( 0.000 -1.598 7.507) 7.675 14.174 ( 0.000 2.275 9.636) 9.900 14.402 ( 0.000 3.515 2.219) 4.157 14.813 ( 0.000 -3.314 -13.600) 13.997 14.897 ( 0.000 7.905 -3.251) 8.547 15.318 ( 0.000 9.395 19.016) 21.210 15.434 ( 0.000 8.452 -16.863) 18.863 15.820 ( 0.000 4.077 29.985) 30.261 16.338 ( 0.000 9.569 -29.059) 30.594 16.399 ( 0.000 -3.260 27.420) 27.614 17.048 ( 0.000 5.023 -23.732) 24.258 17.600 ( 0.000 -1.377 -26.032) 26.068 17.875 ( 0.000 -3.034 21.684) 21.896 18.373 ( 0.000 -17.189 8.969) 19.388 18.601 ( 0.000 -11.218 -11.641) 16.166 18.647 ( 0.000 -9.544 -5.199) 10.868 18.853 ( 0.000 -4.651 1.495) 4.886 18.958 ( 0.000 -12.509 -1.058) 12.554 21.270 ( 0.000 8.997 11.215) 14.378 21.406 ( 0.000 5.790 10.236) 11.760 21.614 ( 0.000 1.991 -1.646) 2.584 21.723 ( 0.000 4.340 -10.963) 11.791 ======================= Grid point 262 (87/120) ======================= q-point: ( 0.11 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( -5.056 6.771 22.387) 23.929 3.410 ( 9.535 -3.848 20.051) 22.534 3.528 ( -0.268 -2.527 -1.029) 2.742 4.005 ( 2.359 0.698 -4.555) 5.177 4.263 ( 9.200 9.089 -3.600) 13.424 4.460 ( 8.060 3.105 -18.246) 20.187 4.714 ( -6.501 -11.022 2.132) 12.973 4.743 ( -7.856 -7.946 -0.483) 11.184 5.053 ( -7.970 0.952 -5.621) 9.800 5.093 ( -6.026 0.054 -11.500) 12.984 5.516 ( 2.197 -4.816 10.917) 12.133 5.876 ( -3.747 -9.406 -7.367) 12.522 7.206 ( 5.827 9.927 10.416) 15.524 7.633 ( 5.764 2.487 -7.849) 10.051 7.842 ( -1.977 4.291 11.788) 12.699 7.893 ( 3.493 1.893 2.341) 4.612 8.637 ( 4.548 -0.755 13.135) 13.920 8.692 ( 3.952 1.282 17.761) 18.240 9.011 ( 7.472 -1.182 4.447) 8.775 9.331 ( 4.258 7.753 -7.998) 11.925 9.521 ( 1.624 -0.581 25.529) 25.587 9.574 ( 0.471 0.187 0.067) 0.511 9.819 ( 15.767 1.407 -15.610) 22.232 10.200 ( 3.299 -6.082 -5.320) 8.728 10.513 ( -9.184 2.310 -17.630) 20.013 10.928 ( 4.861 4.160 -21.223) 22.166 11.269 ( -3.063 1.817 7.754) 8.533 11.698 ( -1.551 -4.342 2.873) 5.432 11.714 ( 2.134 -1.293 1.094) 2.724 12.065 ( -17.985 -0.076 -24.725) 30.574 12.715 ( -11.734 -1.245 12.293) 17.040 12.928 ( -7.170 6.730 7.415) 12.316 12.996 ( -4.178 -3.556 8.418) 10.048 13.052 ( -8.892 0.497 4.973) 10.200 13.232 ( -0.378 -6.813 2.215) 7.174 13.335 ( 0.004 13.954 -5.628) 15.046 13.556 ( 5.478 3.291 -12.607) 14.134 13.715 ( 3.024 -6.020 -10.278) 12.289 13.943 ( -2.777 -7.200 7.965) 11.090 14.280 ( 6.801 -4.269 7.676) 11.109 14.423 ( -1.883 2.835 -4.757) 5.849 14.841 ( 2.942 -1.725 -6.478) 7.321 14.975 ( 8.378 9.518 7.287) 14.625 15.195 ( -6.155 5.958 12.596) 15.233 15.558 ( 12.591 5.847 -12.568) 18.727 16.040 ( 7.869 9.156 8.092) 14.534 16.128 ( -4.816 1.332 -2.609) 5.637 16.525 ( 9.108 1.637 24.882) 26.548 17.244 ( 14.681 3.504 -24.653) 28.906 17.661 ( 5.974 -1.265 -24.299) 25.055 17.840 ( -2.632 -1.248 21.455) 21.652 18.484 ( 8.462 -19.760 6.542) 22.469 18.556 ( -4.439 -9.042 -13.149) 16.564 18.722 ( 5.753 -12.461 -5.566) 14.810 18.888 ( 4.481 -4.793 4.748) 8.100 18.987 ( 3.053 -10.614 0.093) 11.045 21.168 ( -9.575 9.899 9.621) 16.800 21.344 ( -5.766 5.600 9.409) 12.375 21.551 ( -6.719 2.456 -3.657) 8.035 21.593 ( -11.181 5.009 -9.304) 15.384 ======================= Grid point 263 (88/120) ======================= q-point: ( 0.22 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( -4.151 7.526 15.014) 17.300 3.493 ( -0.822 0.164 -12.868) 12.895 3.684 ( 13.149 -3.935 20.377) 24.568 4.006 ( -2.688 -5.981 1.504) 6.728 4.319 ( -6.128 -0.923 0.450) 6.213 4.518 ( -6.200 5.230 -5.674) 9.898 4.613 ( 1.186 -8.006 -4.167) 9.103 4.763 ( 9.116 -1.143 -6.368) 11.179 4.858 ( -9.890 -0.376 -5.950) 11.548 4.927 ( -8.909 2.092 -13.171) 16.038 5.581 ( 4.732 -7.343 9.127) 12.634 5.804 ( -2.065 -9.817 -3.608) 10.661 7.350 ( 7.276 13.794 10.807) 18.974 7.728 ( 2.861 3.751 9.853) 10.924 7.844 ( 2.205 10.282 -0.142) 10.516 8.036 ( 10.288 3.971 2.891) 11.401 8.720 ( 3.942 2.724 1.251) 4.953 8.882 ( 12.245 -5.229 17.968) 22.364 9.134 ( 2.148 -5.537 -2.045) 6.282 9.444 ( 0.641 2.707 -7.819) 8.299 9.479 ( 4.453 0.858 10.823) 11.735 9.752 ( 12.898 4.969 19.971) 24.287 10.116 ( 4.519 -7.628 -6.615) 11.062 10.214 ( 2.738 1.307 -0.113) 3.036 10.477 ( 8.078 -2.148 -15.407) 17.528 10.874 ( -8.780 -5.947 -3.843) 11.279 11.298 ( 4.187 9.909 -19.138) 21.954 11.575 ( -21.418 4.123 -17.872) 28.198 11.636 ( -4.239 -3.577 4.093) 6.893 11.787 ( -1.081 -2.265 -0.739) 2.617 12.481 ( -9.134 -3.861 8.138) 12.828 12.719 ( -9.947 -5.490 2.145) 11.562 12.899 ( -4.352 -1.371 6.149) 7.657 12.964 ( -0.860 11.136 10.374) 15.244 13.216 ( -1.522 -5.522 -1.474) 5.914 13.337 ( -1.201 13.088 -5.031) 14.073 13.609 ( -9.076 0.074 -4.078) 9.950 13.647 ( 3.803 11.251 -12.517) 17.255 13.902 ( -3.118 -6.803 -7.944) 10.913 14.179 ( -16.625 0.131 -15.379) 22.647 14.542 ( 11.932 -3.051 14.023) 18.663 14.799 ( -3.128 9.667 11.455) 15.312 15.230 ( 12.102 -3.424 0.097) 12.578 15.330 ( 16.328 -1.548 9.070) 18.742 15.765 ( -6.252 7.100 -18.290) 20.592 15.908 ( 12.087 -0.848 -7.184) 14.086 16.499 ( 21.315 0.770 26.463) 33.989 16.778 ( 14.504 6.501 26.469) 30.875 17.536 ( 11.725 -0.422 -21.242) 24.267 17.797 ( -0.430 1.683 16.226) 16.319 17.846 ( 10.549 0.342 -18.042) 20.902 18.409 ( -7.959 -4.587 -11.143) 14.441 18.649 ( 6.161 -25.898 4.496) 26.998 18.819 ( 2.564 -17.863 -4.249) 18.540 19.070 ( 12.065 -5.343 6.632) 14.768 19.096 ( 6.894 -6.370 3.052) 9.871 20.893 ( -15.976 12.734 4.723) 20.969 21.174 ( -10.975 5.268 4.200) 12.879 21.245 ( -17.706 7.943 -8.648) 21.245 21.399 ( -9.642 2.514 -4.210) 10.817 ======================= Grid point 264 (89/120) ======================= q-point: ( 0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( 0.045 8.335 7.518) 11.224 3.417 ( -7.264 2.692 -16.140) 17.902 3.906 ( -1.812 -4.886 3.143) 6.085 3.965 ( 9.831 -4.067 14.638) 18.095 4.148 ( -8.494 -6.255 -2.305) 10.798 4.418 ( -3.265 -1.773 2.877) 4.699 4.593 ( -4.588 -2.474 -9.491) 10.828 4.667 ( -7.847 -1.183 -6.981) 10.569 4.798 ( -1.551 4.839 -4.971) 7.108 4.882 ( 1.492 2.956 -6.280) 7.100 5.718 ( 7.041 -12.474 5.707) 15.420 5.808 ( 2.051 -11.607 -0.031) 11.786 7.492 ( 6.223 17.674 8.978) 20.777 7.826 ( 7.045 7.455 11.115) 15.124 7.850 ( -1.504 12.403 -0.995) 12.534 8.319 ( 15.995 4.491 2.620) 16.819 8.764 ( -2.903 5.165 -9.773) 11.429 9.018 ( -8.338 -2.741 -11.212) 14.238 9.150 ( 11.159 -6.993 18.933) 23.063 9.500 ( 5.987 -6.439 5.934) 10.607 9.628 ( 6.190 -2.942 15.695) 17.126 10.027 ( 11.412 4.814 14.183) 18.830 10.062 ( -2.287 -4.795 17.103) 17.909 10.344 ( 2.467 -10.622 -13.922) 17.685 10.671 ( -3.270 1.965 -3.293) 5.040 10.748 ( 11.268 -1.244 -11.770) 16.341 11.092 ( -17.066 7.790 -12.688) 22.648 11.421 ( 0.251 10.394 -22.781) 25.041 11.530 ( -4.229 -2.329 7.124) 8.606 11.745 ( -3.349 -4.431 0.723) 5.601 12.347 ( -4.051 -7.429 -0.243) 8.465 12.553 ( -6.989 -7.559 -4.881) 11.393 12.879 ( 2.691 4.857 3.565) 6.598 12.938 ( -1.921 8.378 5.491) 10.200 13.138 ( -6.523 1.936 1.760) 7.028 13.282 ( -1.849 0.781 -8.469) 8.703 13.478 ( -2.540 2.790 -0.368) 3.791 13.722 ( 2.730 14.626 -9.269) 17.529 13.816 ( -5.864 1.192 -9.209) 10.982 13.836 ( -13.138 -3.756 -12.851) 18.758 14.545 ( -3.708 25.444 6.556) 26.535 14.922 ( 2.651 2.714 0.922) 3.904 15.351 ( 4.462 -6.457 0.806) 7.891 15.616 ( 10.136 -21.459 -0.868) 23.749 15.861 ( 15.023 4.607 10.658) 18.987 16.186 ( 11.061 -10.372 -2.079) 15.305 16.904 ( 15.678 6.390 18.128) 24.804 17.104 ( 16.881 9.713 22.916) 30.074 17.684 ( 0.957 -3.498 -14.536) 14.982 17.822 ( -0.050 4.733 4.365) 6.438 18.009 ( 5.784 1.215 -2.984) 6.620 18.374 ( 8.433 -8.326 -5.807) 13.197 18.743 ( 1.947 -25.774 4.009) 26.157 18.826 ( -1.298 -20.585 0.250) 20.627 19.229 ( 5.153 -4.414 8.019) 10.504 19.313 ( 9.251 -8.552 8.783) 15.358 20.551 ( -15.033 17.592 -4.472) 23.569 20.807 ( -19.177 11.126 -14.374) 26.423 21.007 ( -7.826 5.595 1.535) 9.742 21.182 ( -10.652 3.011 -6.583) 12.879 ======================= Grid point 265 (90/120) ======================= q-point: ( 0.44 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.013 ( 6.671 7.832 -1.434) 10.387 3.208 ( -11.145 5.595 -10.372) 16.220 3.899 ( 2.315 -3.757 -0.065) 4.413 3.989 ( -6.049 -4.637 -1.268) 7.726 4.165 ( 7.757 -3.859 5.722) 10.383 4.314 ( -6.742 -4.309 3.915) 8.908 4.523 ( -0.751 -3.191 -9.119) 9.690 4.552 ( -3.276 -3.489 -8.047) 9.363 4.821 ( 2.535 6.240 0.492) 6.754 4.871 ( -1.805 6.108 -1.217) 6.484 5.824 ( 3.146 -15.135 4.075) 15.987 5.850 ( 0.813 -14.342 2.703) 14.617 7.615 ( 5.936 18.189 4.464) 19.647 7.745 ( -6.225 16.610 -1.985) 17.849 8.092 ( 16.594 7.019 7.604) 19.556 8.474 ( -17.321 6.662 0.718) 18.572 8.674 ( 12.999 3.318 -9.215) 16.276 8.894 ( -6.494 -0.965 -7.742) 10.151 9.383 ( 10.503 -9.618 18.274) 23.168 9.544 ( -3.600 -8.800 11.836) 15.182 9.779 ( 9.446 -9.105 15.711) 20.468 9.981 ( -7.899 -6.557 16.031) 19.036 10.186 ( 4.365 2.820 4.203) 6.683 10.266 ( -4.860 -5.369 -9.916) 12.279 10.723 ( 6.188 5.700 -4.560) 9.569 10.848 ( -6.743 5.564 -8.571) 12.243 11.024 ( 12.986 2.464 0.091) 13.218 11.282 ( -10.973 0.580 1.579) 11.101 11.553 ( 4.102 4.228 -10.081) 11.676 11.655 ( -5.073 0.855 -5.935) 7.854 12.315 ( 1.272 -9.775 -5.512) 11.294 12.403 ( -6.668 -9.340 -7.353) 13.629 12.901 ( -0.889 8.093 0.854) 8.186 12.916 ( -1.554 10.007 -0.620) 10.145 13.101 ( 5.703 -0.336 -4.533) 7.293 13.233 ( -4.529 -4.060 -9.470) 11.255 13.488 ( 3.021 3.010 1.152) 4.417 13.593 ( -7.705 -0.771 -2.330) 8.087 13.741 ( -1.010 10.368 -4.827) 11.481 13.746 ( -1.876 6.285 -5.901) 8.823 14.568 ( 6.353 27.314 -5.186) 28.519 14.772 ( -11.570 22.293 -12.018) 27.844 15.567 ( 11.482 -23.519 12.375) 28.950 15.715 ( -1.449 -24.882 7.519) 26.034 16.163 ( 11.884 -1.111 11.259) 16.408 16.306 ( -0.732 -11.608 5.084) 12.693 17.178 ( 13.169 15.402 3.965) 20.649 17.419 ( 3.063 2.013 3.406) 5.003 17.555 ( -1.930 8.491 1.711) 8.874 17.737 ( -7.433 2.555 1.520) 8.005 18.273 ( 17.072 -7.808 11.679) 22.109 18.571 ( -3.728 -5.370 1.124) 6.633 18.691 ( 3.667 -29.166 4.655) 29.762 18.813 ( -2.115 -24.497 1.106) 24.613 19.316 ( 3.928 -3.592 13.627) 14.630 19.394 ( -1.715 -7.604 14.478) 16.443 20.357 ( -1.827 19.920 -16.498) 25.929 20.473 ( -11.812 15.587 -19.046) 27.299 20.913 ( -0.615 4.901 -4.218) 6.496 20.986 ( -7.222 3.929 -7.444) 11.090 ======================= Grid point 270 (91/120) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( 0.000 -1.340 17.339) 17.391 3.431 ( 0.000 1.785 2.199) 2.833 3.476 ( 0.000 10.727 19.640) 22.379 4.147 ( 0.000 5.919 -6.007) 8.433 4.201 ( 0.000 -2.185 -2.384) 3.234 4.446 ( 0.000 -1.296 -14.342) 14.401 4.522 ( 0.000 -7.691 -1.979) 7.941 4.719 ( 0.000 0.326 -3.379) 3.395 5.096 ( 0.000 -5.482 -10.418) 11.772 5.136 ( 0.000 -3.040 -3.549) 4.673 5.394 ( 0.000 -5.306 2.907) 6.050 5.696 ( 0.000 -12.653 -9.470) 15.805 7.330 ( 0.000 9.930 6.118) 11.664 7.606 ( 0.000 0.902 -7.533) 7.587 7.848 ( 0.000 0.809 5.393) 5.453 7.882 ( 0.000 -0.741 3.626) 3.701 8.607 ( 0.000 3.779 22.131) 22.451 8.830 ( 0.000 10.818 19.574) 22.365 8.914 ( 0.000 -0.306 5.972) 5.980 9.332 ( 0.000 -4.085 -2.412) 4.744 9.507 ( 0.000 1.297 28.323) 28.352 9.714 ( 0.000 6.471 -9.189) 11.239 9.725 ( 0.000 11.298 -10.544) 15.454 9.918 ( 0.000 -10.543 -0.909) 10.583 10.798 ( 0.000 2.485 -16.009) 16.200 11.040 ( 0.000 13.458 -16.962) 21.652 11.204 ( 0.000 -6.477 1.489) 6.646 11.663 ( 0.000 -0.824 4.450) 4.526 11.676 ( 0.000 0.590 3.762) 3.808 12.177 ( 0.000 -7.982 -30.703) 31.723 12.905 ( 0.000 -1.116 10.499) 10.558 12.912 ( 0.000 -5.430 3.593) 6.511 13.007 ( 0.000 -12.354 4.253) 13.066 13.144 ( 0.000 -5.910 0.634) 5.944 13.252 ( 0.000 0.247 4.843) 4.849 13.316 ( 0.000 -0.457 -3.439) 3.469 13.440 ( 0.000 3.188 0.498) 3.227 13.643 ( 0.000 13.540 -8.371) 15.919 14.043 ( 0.000 3.126 10.205) 10.673 14.179 ( 0.000 -1.519 2.799) 3.185 14.534 ( 0.000 9.985 1.779) 10.143 14.770 ( 0.000 0.843 -16.426) 16.447 15.029 ( 0.000 4.139 -1.372) 4.361 15.359 ( 0.000 -6.689 3.153) 7.395 15.750 ( 0.000 21.525 7.083) 22.660 15.917 ( 0.000 5.566 28.198) 28.742 16.369 ( 0.000 1.974 20.665) 20.759 16.599 ( 0.000 16.654 -27.048) 31.764 17.155 ( 0.000 5.020 -20.223) 20.837 17.570 ( 0.000 -1.550 -24.298) 24.347 17.799 ( 0.000 -4.771 17.606) 18.241 17.876 ( 0.000 -31.500 9.046) 32.773 18.348 ( 0.000 -18.773 -10.506) 21.513 18.380 ( 0.000 -11.503 -2.486) 11.769 18.743 ( 0.000 -6.065 -1.120) 6.167 18.746 ( 0.000 -8.073 3.213) 8.689 21.463 ( 0.000 9.691 7.985) 12.557 21.548 ( 0.000 8.177 6.384) 10.374 21.659 ( 0.000 2.139 -0.197) 2.148 21.794 ( 0.000 2.183 -8.201) 8.487 ======================= Grid point 271 (92/120) ======================= q-point: ( 0.11 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( 1.349 2.695 12.972) 13.317 3.460 ( 2.034 -2.110 -4.345) 5.241 3.496 ( 3.482 11.348 23.751) 26.552 4.030 ( -5.610 1.054 -2.875) 6.391 4.327 ( 2.709 -8.937 1.510) 9.460 4.436 ( -5.234 -13.381 -2.281) 14.548 4.542 ( 8.291 7.584 -13.208) 17.341 4.704 ( -0.761 4.920 -5.844) 7.677 5.031 ( -7.448 -3.534 -6.928) 10.769 5.053 ( -5.592 -3.989 -8.839) 11.194 5.408 ( 1.060 -5.591 3.117) 6.488 5.663 ( -2.898 -11.459 -8.140) 14.351 7.425 ( 8.622 11.104 6.223) 15.374 7.674 ( 6.061 1.328 -4.477) 7.651 7.929 ( 6.452 3.581 7.953) 10.849 7.952 ( 7.066 4.082 3.800) 9.001 8.649 ( 4.647 2.378 16.170) 16.992 8.738 ( -3.984 3.545 21.689) 22.335 9.010 ( 4.449 1.070 0.646) 4.622 9.356 ( 2.729 -5.850 -4.730) 8.003 9.506 ( -1.156 0.644 19.281) 19.327 9.689 ( 1.580 8.280 8.074) 11.672 9.841 ( 8.785 1.121 -7.833) 11.823 10.096 ( 14.186 -2.352 -8.532) 16.720 10.628 ( -14.203 8.120 -14.549) 21.894 11.005 ( -4.518 4.698 -5.672) 8.640 11.233 ( 3.465 -7.034 -4.458) 9.019 11.617 ( -3.756 -3.476 4.345) 6.713 11.718 ( 2.162 2.603 -2.679) 4.316 12.026 ( -12.444 -4.424 -27.443) 30.456 12.700 ( -14.258 -0.652 8.102) 16.412 12.883 ( -3.493 -2.725 5.975) 7.438 12.938 ( -15.520 -5.098 0.180) 16.337 13.067 ( 3.305 -7.234 0.352) 7.961 13.227 ( 2.112 5.289 7.964) 9.791 13.469 ( 7.956 -5.980 -2.432) 10.246 13.575 ( 8.765 3.075 -2.351) 9.582 13.734 ( 5.240 12.747 -10.237) 17.168 13.921 ( -6.310 4.284 9.790) 12.410 14.200 ( 0.609 -4.240 2.087) 4.765 14.524 ( -4.197 8.322 -7.363) 11.878 14.750 ( 0.442 -1.958 -14.262) 14.402 15.118 ( 9.809 3.350 9.303) 13.927 15.450 ( 3.913 1.530 11.140) 11.906 15.581 ( -5.288 9.734 4.533) 11.969 16.133 ( 9.007 1.884 16.570) 18.954 16.328 ( -3.020 16.561 -4.096) 17.326 16.612 ( 7.444 8.251 6.664) 12.958 17.301 ( 9.901 0.704 -20.901) 23.138 17.642 ( 7.553 -0.264 -21.493) 22.783 17.815 ( 1.335 -3.664 15.649) 16.128 17.949 ( 6.294 -28.828 8.882) 30.815 18.344 ( -0.510 -17.208 -8.737) 19.305 18.442 ( 3.852 -10.375 -7.458) 13.345 18.752 ( 2.338 -8.028 3.216) 8.959 18.793 ( 4.299 -8.920 3.161) 10.394 21.379 ( -7.874 10.550 6.536) 14.697 21.480 ( -6.224 7.770 5.660) 11.452 21.602 ( -5.467 2.270 -1.119) 6.024 21.683 ( -10.229 3.271 -7.995) 13.388 ======================= Grid point 272 (93/120) ======================= q-point: ( 0.22 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.177 ( -1.704 10.344 7.304) 12.777 3.503 ( 1.638 0.341 -9.000) 9.154 3.650 ( 10.387 2.342 18.698) 21.517 3.923 ( -4.868 -2.447 1.765) 5.728 4.196 ( -10.445 -10.345 4.988) 15.524 4.372 ( -3.192 -12.866 1.156) 13.306 4.663 ( -2.217 4.072 -7.808) 9.081 4.774 ( 5.830 0.617 -13.278) 14.515 4.834 ( -6.531 -0.467 -3.351) 7.355 4.945 ( -4.268 0.401 -12.901) 13.595 5.434 ( 1.566 -6.501 3.188) 7.408 5.599 ( -2.543 -10.003 -4.868) 11.411 7.658 ( 12.792 15.643 7.387) 21.515 7.830 ( 8.141 6.005 6.763) 12.168 8.059 ( 5.810 9.915 7.214) 13.568 8.167 ( 12.329 10.290 1.420) 16.122 8.721 ( 3.086 -5.655 20.110) 21.117 8.814 ( 9.731 1.519 5.194) 11.135 9.052 ( 0.140 -2.335 -1.196) 2.627 9.407 ( -0.902 -5.028 -1.998) 5.485 9.505 ( 3.112 -0.404 5.681) 6.490 9.763 ( 4.558 -6.119 9.811) 12.429 10.019 ( 4.165 1.588 -1.552) 4.720 10.332 ( -7.485 4.193 -6.183) 10.575 10.424 ( 13.570 2.956 -7.743) 15.901 10.857 ( -7.506 4.715 -1.247) 8.951 11.325 ( 2.979 -9.611 -6.066) 11.749 11.533 ( -4.023 -6.281 3.486) 8.234 11.687 ( -6.123 6.833 -15.751) 18.228 11.768 ( -9.062 0.989 -12.307) 15.315 12.399 ( -13.133 -3.888 3.811) 14.217 12.596 ( -13.350 -7.138 -1.977) 15.267 12.883 ( 1.472 2.583 5.132) 5.931 13.131 ( 2.537 -1.068 -2.325) 3.603 13.223 ( -2.361 9.384 6.144) 11.462 13.555 ( -8.670 -3.211 -4.855) 10.443 13.640 ( 2.475 13.733 -0.438) 13.961 13.739 ( 0.702 -5.236 -2.664) 5.916 13.971 ( 6.488 17.199 -4.479) 18.920 14.183 ( -7.088 -4.105 -6.939) 10.735 14.442 ( 5.256 3.428 3.349) 7.113 14.861 ( 9.861 -10.698 -10.650) 18.031 15.283 ( -3.963 20.002 12.871) 24.113 15.458 ( 11.527 5.141 14.419) 19.162 15.696 ( 8.189 -18.252 2.725) 20.189 15.987 ( -12.800 13.924 -16.715) 25.241 16.566 ( 17.599 5.100 16.340) 24.551 16.887 ( 16.685 4.211 17.292) 24.396 17.482 ( 7.572 -6.655 -14.253) 17.457 17.831 ( 3.626 -1.547 9.140) 9.954 17.891 ( 11.324 2.898 -12.929) 17.430 18.106 ( 8.225 -22.747 8.386) 25.601 18.284 ( -5.756 -8.876 -8.968) 13.869 18.488 ( 0.931 -11.128 -7.239) 13.308 18.882 ( 9.347 -12.991 7.515) 17.680 18.916 ( 6.799 -11.341 4.411) 13.939 21.156 ( -12.728 12.849 2.245) 18.224 21.304 ( -10.330 7.174 2.517) 12.826 21.395 ( -15.309 6.379 -7.764) 18.313 21.449 ( -9.521 2.041 -3.454) 10.332 ======================= Grid point 273 (94/120) ======================= q-point: ( 0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( 0.581 12.829 3.858) 13.410 3.492 ( -3.671 4.550 -12.312) 13.630 3.817 ( -1.562 -3.666 3.280) 5.161 3.884 ( 7.240 -3.283 16.278) 18.115 4.006 ( -5.813 -7.772 -1.431) 9.810 4.297 ( -3.682 -9.374 6.091) 11.770 4.552 ( -6.869 -2.690 -11.467) 13.635 4.618 ( -8.659 -4.154 -7.635) 12.269 4.898 ( 0.239 5.150 -5.495) 7.535 4.947 ( 4.747 3.278 -6.936) 9.022 5.473 ( 1.845 -10.661 2.965) 11.218 5.570 ( -0.536 -11.334 -1.592) 11.458 7.911 ( 9.584 23.109 7.876) 26.228 8.004 ( 10.115 11.368 15.791) 21.929 8.154 ( 2.580 16.263 -0.308) 16.469 8.453 ( 14.791 9.876 0.344) 17.788 8.828 ( 5.033 -3.251 5.540) 8.160 8.951 ( 1.607 -4.606 3.613) 6.071 9.053 ( -2.100 1.470 -3.487) 4.328 9.343 ( -0.804 -7.853 4.051) 8.872 9.544 ( -0.779 -5.567 7.262) 9.183 9.871 ( 2.319 -14.400 -0.249) 14.588 9.972 ( 0.230 -8.542 4.702) 9.753 10.256 ( -7.123 -4.701 -5.003) 9.893 10.672 ( 11.887 5.968 3.071) 13.651 10.860 ( 7.855 9.539 -0.971) 12.395 11.218 ( -10.948 2.881 -1.913) 11.481 11.431 ( -6.928 -5.615 4.395) 9.942 11.654 ( 4.143 2.399 -16.809) 17.477 11.659 ( -1.809 4.647 -8.708) 10.035 12.179 ( -7.594 -8.483 -2.757) 11.715 12.385 ( -8.058 -9.183 -7.856) 14.525 12.939 ( 3.367 3.976 2.368) 5.724 13.143 ( -2.318 3.887 -5.550) 7.161 13.175 ( -0.566 6.514 5.372) 8.462 13.293 ( -12.101 1.278 -4.613) 13.014 13.663 ( -4.293 11.150 -1.098) 11.999 13.709 ( -2.185 -1.026 -2.848) 3.734 13.989 ( -3.155 12.540 -6.318) 14.392 14.100 ( 2.567 20.532 -7.138) 21.888 14.715 ( 16.184 -11.697 12.029) 23.312 15.079 ( 8.733 -5.648 -3.581) 11.000 15.193 ( -1.851 16.458 7.053) 18.001 15.598 ( -6.624 15.084 -5.968) 17.522 15.829 ( 6.149 -12.386 3.966) 14.386 15.862 ( 5.266 -13.608 -0.920) 14.620 16.934 ( 16.642 -4.330 12.154) 21.058 17.229 ( 13.764 -4.089 8.911) 16.899 17.620 ( 5.730 -2.344 2.354) 6.623 17.903 ( 5.409 1.235 9.182) 10.727 18.118 ( -6.548 7.010 -7.283) 12.044 18.134 ( 7.288 -9.059 -2.452) 11.882 18.284 ( 8.109 -14.678 3.809) 17.196 18.495 ( -0.432 -11.927 -3.367) 12.401 19.042 ( 4.928 -13.692 8.591) 16.899 19.073 ( 7.379 -15.531 8.816) 19.323 20.890 ( -11.527 15.690 -4.588) 20.002 21.032 ( -14.765 10.615 -10.362) 20.930 21.128 ( -8.920 5.886 -1.790) 10.836 21.241 ( -9.941 2.433 -6.191) 11.961 ======================= Grid point 274 (95/120) ======================= q-point: ( 0.44 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.215 ( 5.009 12.332 -0.429) 13.317 3.356 ( -7.862 9.217 -6.448) 13.723 3.811 ( 1.600 -5.008 2.587) 5.860 3.867 ( -3.639 -7.591 5.045) 9.814 4.094 ( 7.439 -2.471 0.134) 7.840 4.215 ( -4.343 -5.092 3.346) 7.482 4.436 ( -3.059 -5.993 -9.748) 11.845 4.463 ( -5.409 -5.940 -9.285) 12.278 4.947 ( 3.607 6.426 0.162) 7.371 4.996 ( -0.193 6.376 -1.194) 6.490 5.509 ( 1.935 -15.268 2.693) 15.624 5.551 ( -1.649 -14.625 0.994) 14.751 8.047 ( 5.125 24.196 7.638) 25.886 8.140 ( -3.156 22.338 2.292) 22.676 8.297 ( 16.504 14.280 5.883) 22.604 8.650 ( -11.164 10.690 4.696) 16.154 8.787 ( 4.227 8.401 -13.707) 16.623 8.894 ( -1.530 1.132 -4.210) 4.620 9.149 ( 9.505 -13.660 14.823) 22.286 9.330 ( -5.686 -11.950 5.145) 14.199 9.568 ( 5.962 -11.652 9.095) 15.938 9.754 ( -10.098 -14.476 5.560) 18.505 10.075 ( 4.525 -14.975 -1.831) 15.751 10.133 ( -2.641 -11.489 -4.514) 12.623 10.881 ( 6.533 10.454 3.742) 12.883 10.987 ( -3.695 8.107 -1.172) 8.986 11.096 ( 7.150 5.098 5.655) 10.444 11.273 ( -7.894 -0.631 7.014) 10.579 11.677 ( 2.865 5.569 -9.775) 11.609 11.720 ( 0.269 6.660 -15.657) 17.017 12.104 ( 1.170 -10.919 -6.832) 12.933 12.217 ( -8.016 -9.342 -9.219) 15.379 13.006 ( 2.859 2.832 -0.933) 4.131 13.079 ( -4.626 2.605 -0.937) 5.391 13.132 ( -0.363 3.306 -8.269) 8.913 13.166 ( -1.746 -1.800 -6.120) 6.614 13.574 ( -1.776 8.147 1.115) 8.412 13.617 ( -4.896 9.096 1.014) 10.380 14.028 ( 4.534 19.728 -2.079) 20.349 14.108 ( -2.188 21.460 -4.181) 21.973 15.023 ( 12.150 -15.014 11.247) 22.350 15.171 ( -0.838 15.151 3.409) 15.553 15.216 ( 4.273 -5.425 0.406) 6.918 15.382 ( -10.505 23.208 -9.194) 27.083 15.957 ( 4.137 -21.657 1.453) 22.097 15.973 ( 3.054 -17.942 1.618) 18.271 17.224 ( 10.610 -13.712 4.525) 17.918 17.359 ( -1.523 -18.478 -1.578) 18.608 17.766 ( 8.315 16.450 12.148) 22.075 17.931 ( -7.277 15.930 4.328) 18.040 18.084 ( 8.688 -9.963 8.587) 15.763 18.222 ( -1.835 -10.794 7.647) 13.354 18.424 ( 4.469 -9.950 1.042) 10.958 18.472 ( -1.254 -8.153 -0.970) 8.306 19.121 ( 2.965 -14.885 12.303) 19.538 19.156 ( 0.509 -15.945 11.571) 19.707 20.728 ( -2.994 16.740 -11.757) 20.674 20.782 ( -7.993 14.488 -13.990) 21.668 21.014 ( -1.605 4.650 -5.603) 7.456 21.065 ( -6.123 3.370 -7.716) 10.411 ======================= Grid point 279 (96/120) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.221 ( 0.000 6.619 10.584) 12.483 3.352 ( 0.000 -5.592 3.232) 6.459 3.799 ( 0.000 16.043 16.069) 22.707 4.076 ( 0.000 -12.599 6.857) 14.344 4.135 ( 0.000 -0.422 -5.841) 5.856 4.229 ( 0.000 -8.034 -8.614) 11.779 4.693 ( 0.000 12.129 -9.412) 15.352 4.826 ( 0.000 6.118 -2.439) 6.586 4.955 ( 0.000 -6.617 -12.727) 14.344 5.041 ( 0.000 -7.082 -7.142) 10.058 5.336 ( 0.000 1.378 -2.963) 3.268 5.463 ( 0.000 -10.464 -8.098) 13.231 7.494 ( 0.000 6.624 0.804) 6.672 7.586 ( 0.000 -2.921 -4.138) 5.066 7.864 ( 0.000 0.691 3.932) 3.992 7.873 ( 0.000 -0.344 3.992) 4.007 8.730 ( 0.000 8.069 21.227) 22.709 8.869 ( 0.000 -4.992 13.711) 14.591 9.038 ( 0.000 9.535 10.218) 13.975 9.201 ( 0.000 -7.880 0.647) 7.907 9.567 ( 0.000 5.080 19.414) 20.067 9.695 ( 0.000 -7.720 5.990) 9.771 9.892 ( 0.000 5.930 -0.488) 5.951 9.914 ( 0.000 5.301 -5.765) 7.832 10.818 ( 0.000 1.622 -7.463) 7.637 10.935 ( 0.000 -10.586 8.611) 13.646 11.483 ( 0.000 22.650 -32.256) 39.414 11.679 ( 0.000 1.864 4.926) 5.267 11.688 ( 0.000 -0.114 3.937) 3.939 11.920 ( 0.000 -18.760 -32.189) 37.257 12.825 ( 0.000 -4.137 2.052) 4.617 12.839 ( 0.000 -4.046 3.058) 5.071 12.869 ( 0.000 1.309 -1.076) 1.694 12.967 ( 0.000 -8.335 -4.952) 9.695 13.253 ( 0.000 -0.185 6.414) 6.416 13.258 ( 0.000 -1.386 4.524) 4.731 13.689 ( 0.000 12.151 1.380) 12.229 13.798 ( 0.000 1.495 -5.750) 5.941 14.098 ( 0.000 2.017 10.222) 10.419 14.137 ( 0.000 -2.299 5.123) 5.615 14.785 ( 0.000 15.813 1.573) 15.891 14.873 ( 0.000 8.685 -13.012) 15.644 15.024 ( 0.000 -4.783 -4.294) 6.427 15.117 ( 0.000 -16.577 4.543) 17.189 16.019 ( 0.000 4.391 21.166) 21.616 16.041 ( 0.000 4.698 12.774) 13.611 16.608 ( 0.000 25.001 15.448) 29.389 16.945 ( 0.000 17.466 -21.033) 27.339 17.181 ( 0.000 -4.560 -17.833) 18.406 17.215 ( 0.000 -34.256 10.867) 35.939 17.569 ( 0.000 1.347 -19.279) 19.326 17.668 ( 0.000 -8.385 -3.482) 9.079 18.097 ( 0.000 -3.625 -0.584) 3.672 18.172 ( 0.000 -8.928 3.306) 9.520 18.642 ( 0.000 -2.637 0.922) 2.793 18.647 ( 0.000 -3.067 -1.242) 3.309 21.615 ( 0.000 5.599 4.755) 7.346 21.677 ( 0.000 -0.828 1.981) 2.147 21.698 ( 0.000 6.714 1.473) 6.873 21.791 ( 0.000 -2.621 -3.692) 4.528 ======================= Grid point 280 (97/120) ======================= q-point: ( 0.11 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.272 ( 4.393 6.374 8.151) 11.241 3.392 ( 3.496 -4.752 2.207) 6.299 3.785 ( -1.046 15.151 15.517) 21.712 4.038 ( -3.911 -3.653 5.410) 7.610 4.078 ( -4.117 -7.572 -2.679) 9.025 4.203 ( -3.159 -10.433 -5.403) 12.166 4.739 ( 3.249 10.187 -10.508) 14.991 4.830 ( -1.118 7.043 -4.760) 8.574 4.915 ( -3.589 -7.792 -10.642) 13.669 4.964 ( -4.781 -5.721 -7.609) 10.653 5.349 ( 0.969 1.227 -2.799) 3.206 5.460 ( -0.490 -8.971 -7.355) 11.611 7.598 ( 9.808 6.359 1.036) 11.735 7.674 ( 8.363 -1.649 -2.573) 8.904 7.985 ( 10.618 2.194 6.234) 12.507 8.004 ( 11.812 0.674 5.238) 12.939 8.729 ( 0.301 5.137 17.513) 18.253 8.791 ( -5.410 0.132 19.375) 20.117 9.061 ( 1.451 4.771 1.059) 5.098 9.198 ( 0.629 -8.675 -1.972) 8.919 9.555 ( -1.343 4.272 16.981) 17.561 9.665 ( -2.582 -6.382 8.934) 11.278 9.989 ( 9.755 9.644 0.365) 13.722 10.092 ( 12.027 -0.840 -5.938) 13.440 10.767 ( -5.627 6.883 -7.789) 11.819 10.956 ( 2.177 -11.945 6.497) 13.770 11.256 ( -13.563 13.686 -14.173) 23.919 11.510 ( -11.060 -9.426 -0.421) 14.538 11.801 ( 3.512 4.925 -11.256) 12.779 11.907 ( -2.953 -6.472 -23.953) 24.987 12.709 ( -14.385 2.445 1.690) 14.689 12.805 ( -15.068 -6.922 -1.771) 16.676 12.884 ( 5.307 2.686 5.007) 7.775 12.969 ( 10.078 -4.801 2.232) 11.384 13.212 ( 0.506 -0.103 2.290) 2.347 13.296 ( 4.281 -7.769 -0.920) 8.918 13.806 ( 7.876 12.154 0.814) 14.505 13.907 ( 5.908 3.871 -7.933) 10.622 13.991 ( -6.046 2.433 8.933) 11.058 14.101 ( -3.891 -6.289 3.062) 8.004 14.762 ( -2.396 15.435 -5.390) 16.524 14.851 ( -2.187 10.500 -11.840) 15.975 15.072 ( 6.911 -7.410 7.329) 12.505 15.190 ( 4.775 -17.690 4.576) 18.886 15.929 ( -4.781 15.652 15.417) 22.484 16.120 ( 3.470 -4.476 13.024) 14.202 16.705 ( 6.715 23.483 10.391) 26.543 16.870 ( -2.852 17.057 -12.423) 21.293 17.198 ( 0.604 -12.446 -14.522) 19.135 17.276 ( 5.850 -31.717 11.591) 34.272 17.685 ( 10.454 3.692 -17.041) 20.330 17.790 ( 10.105 -6.012 -4.979) 12.768 18.137 ( 3.868 0.571 0.594) 3.955 18.263 ( 7.545 -9.000 1.408) 11.829 18.632 ( -1.192 -3.056 0.303) 3.295 18.653 ( 1.052 -4.855 1.045) 5.076 21.545 ( -6.585 6.160 3.568) 9.698 21.606 ( -6.651 1.565 1.464) 6.988 21.631 ( -6.040 3.372 0.500) 6.936 21.700 ( -8.386 -1.615 -3.947) 9.408 ======================= Grid point 281 (98/120) ======================= q-point: ( 0.22 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.361 ( 3.084 8.192 2.209) 9.028 3.478 ( 4.138 -3.446 -1.181) 5.513 3.788 ( 1.890 9.796 13.506) 16.791 3.929 ( -5.446 4.333 3.005) 7.581 3.979 ( -5.915 -10.398 4.281) 12.706 4.120 ( -3.270 -12.643 2.350) 13.269 4.680 ( -7.675 0.079 -10.243) 12.800 4.723 ( -9.744 -3.772 -12.548) 16.329 4.896 ( 4.407 4.572 -5.898) 8.667 4.956 ( 0.938 -0.674 -8.135) 8.217 5.366 ( 0.413 0.302 -1.780) 1.852 5.439 ( -1.418 -6.392 -4.867) 8.158 7.887 ( 17.285 6.976 2.616) 18.823 7.923 ( 14.834 2.518 1.889) 15.164 8.214 ( 9.493 7.248 13.005) 17.657 8.323 ( 16.913 -0.376 8.964) 19.145 8.684 ( -2.062 6.180 15.767) 17.060 8.818 ( 7.514 -3.352 7.641) 11.229 9.069 ( -1.116 4.736 -3.111) 5.775 9.236 ( 1.933 -11.008 -5.912) 12.643 9.514 ( -2.255 2.023 10.476) 10.905 9.604 ( -2.848 -7.402 10.298) 12.998 10.123 ( -3.134 6.734 -5.568) 9.283 10.252 ( -0.922 -6.352 -10.836) 12.594 10.682 ( 3.825 17.018 2.097) 17.569 11.031 ( 4.288 -17.584 1.513) 18.163 11.051 ( -3.173 13.604 1.869) 14.094 11.336 ( -5.358 -13.623 1.229) 14.690 11.792 ( -4.853 3.291 -17.448) 18.408 11.811 ( -3.769 1.768 -15.637) 16.182 12.366 ( -16.151 1.406 -0.831) 16.234 12.454 ( -15.617 -6.825 -3.498) 17.398 13.005 ( 4.872 9.202 4.276) 11.256 13.169 ( 6.489 -0.746 2.552) 7.013 13.236 ( 0.157 -0.395 -2.821) 2.853 13.396 ( 2.725 -10.835 -3.541) 11.720 13.776 ( -7.151 9.934 3.068) 12.619 13.923 ( 1.729 7.042 -1.075) 7.330 14.024 ( 0.421 -5.664 -0.770) 5.732 14.131 ( 8.536 -3.271 -2.597) 9.503 14.717 ( -0.402 20.245 -1.925) 20.340 14.859 ( 3.708 11.294 -7.538) 14.075 15.247 ( 6.754 -16.785 8.013) 19.788 15.282 ( 5.231 -18.873 5.134) 20.246 15.847 ( -2.574 24.207 10.717) 26.598 16.152 ( -0.708 -3.260 2.383) 4.100 16.729 ( -1.174 14.033 -5.003) 14.944 16.951 ( 3.975 -0.142 -1.080) 4.122 17.273 ( 9.626 -9.007 5.663) 14.348 17.456 ( 11.260 -22.896 13.525) 28.878 17.936 ( 12.015 4.112 -11.996) 17.469 18.029 ( 11.648 -3.888 -6.632) 13.957 18.241 ( 5.727 10.118 2.477) 11.888 18.420 ( 5.107 -1.224 -1.106) 5.367 18.625 ( 1.982 -9.592 5.615) 11.290 18.690 ( 2.444 -10.763 2.246) 11.263 21.357 ( -10.822 7.467 0.155) 13.149 21.417 ( -10.721 3.117 -0.321) 11.169 21.461 ( -10.420 -0.455 -2.873) 10.818 21.469 ( -12.293 0.996 -4.569) 13.152 ======================= Grid point 282 (99/120) ======================= q-point: ( 0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.403 ( 1.817 11.347 0.683) 11.512 3.542 ( 1.705 -1.562 -5.104) 5.603 3.775 ( -4.420 -0.269 3.706) 5.774 3.824 ( -6.809 -4.624 11.331) 14.005 3.935 ( 5.734 3.981 1.624) 7.167 4.096 ( 0.640 -10.500 6.691) 12.467 4.499 ( -9.151 -1.523 -11.703) 14.934 4.526 ( -9.041 -4.070 -10.207) 14.229 4.975 ( 2.486 2.643 -5.615) 6.686 4.995 ( 4.673 0.994 -4.935) 6.868 5.351 ( -2.176 -1.524 0.259) 2.669 5.400 ( -2.561 -5.941 -1.665) 6.681 8.235 ( 13.631 11.004 10.307) 20.326 8.283 ( 19.155 11.603 5.029) 22.952 8.381 ( 7.996 7.165 10.824) 15.246 8.614 ( 10.371 -13.464 18.262) 24.947 8.757 ( 9.053 19.315 0.449) 21.336 8.949 ( -1.466 2.870 -0.792) 3.319 9.058 ( 3.063 -3.263 -1.150) 4.621 9.194 ( -5.945 -10.545 -2.818) 12.429 9.473 ( -2.322 -0.145 4.231) 4.828 9.582 ( 1.463 -12.232 0.798) 12.345 9.877 ( -15.033 2.439 -6.678) 16.629 10.056 ( -14.141 -12.737 -12.373) 22.701 10.914 ( 13.503 15.179 11.206) 23.202 11.057 ( 3.116 10.200 3.480) 11.219 11.161 ( 3.243 -8.330 8.661) 12.446 11.262 ( -1.260 -11.102 4.742) 12.138 11.689 ( -1.874 5.355 -13.312) 14.470 11.771 ( 0.080 -0.277 -16.584) 16.586 12.092 ( -9.663 1.563 -8.264) 12.810 12.210 ( -8.233 -8.516 -10.232) 15.653 13.046 ( -0.643 6.532 1.199) 6.672 13.166 ( -4.954 -5.032 0.229) 7.065 13.220 ( -2.562 5.519 -5.140) 7.965 13.324 ( -7.554 -3.145 -5.921) 10.100 13.758 ( 3.426 11.583 4.199) 12.788 13.949 ( 1.814 7.241 -2.311) 7.814 14.074 ( 3.998 -1.743 6.599) 7.910 14.282 ( 4.796 -7.414 -0.774) 8.864 14.778 ( 5.736 20.057 2.087) 20.965 14.966 ( 4.836 12.035 -4.330) 13.674 15.322 ( 3.026 -25.676 4.035) 26.167 15.415 ( 4.978 -21.026 2.148) 21.714 15.840 ( 2.312 29.989 4.680) 30.440 16.113 ( -2.203 13.513 -6.640) 15.216 16.714 ( -0.712 -11.469 0.668) 11.510 16.927 ( -4.797 -22.611 -7.276) 24.233 17.589 ( 18.059 2.124 17.433) 25.190 17.729 ( 14.303 -11.513 14.570) 23.439 18.130 ( 5.750 6.015 -3.695) 9.105 18.250 ( 9.056 -3.069 -5.675) 11.119 18.364 ( 5.115 14.330 4.051) 15.745 18.425 ( -2.963 12.252 2.518) 12.854 18.722 ( 4.535 -18.665 8.320) 20.933 18.747 ( 3.289 -17.076 5.718) 18.306 21.128 ( -10.100 8.447 -4.791) 14.011 21.189 ( -11.237 5.225 -6.698) 14.087 21.202 ( -10.297 0.994 -4.955) 11.470 21.254 ( -9.761 -1.457 -5.961) 11.530 ======================= Grid point 283 (100/120) ======================= q-point: ( 0.44 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.459 ( 3.652 11.890 1.957) 12.591 3.537 ( -2.617 7.959 -1.393) 8.493 3.693 ( -1.664 -7.628 6.186) 9.961 3.718 ( -3.216 -6.835 4.891) 8.999 4.090 ( 7.940 1.997 -3.769) 9.013 4.141 ( 3.402 -2.604 -0.217) 4.290 4.316 ( -7.562 -4.410 -9.315) 12.783 4.337 ( -8.555 -5.739 -8.768) 13.527 5.066 ( 5.636 5.682 -0.168) 8.005 5.105 ( 4.139 3.815 -1.270) 5.770 5.283 ( -2.967 -6.792 1.753) 7.616 5.322 ( -4.720 -8.589 0.397) 9.809 8.462 ( 8.625 17.199 11.840) 22.592 8.534 ( 5.709 15.310 7.547) 17.999 8.629 ( 9.559 16.299 6.209) 19.889 8.837 ( 1.917 -3.626 8.639) 9.564 8.867 ( -2.240 -0.023 0.527) 2.301 8.885 ( 7.745 -3.759 0.676) 8.636 8.980 ( -2.134 4.033 1.527) 4.812 9.127 ( -7.519 -7.832 0.493) 10.868 9.431 ( 0.997 1.706 -0.989) 2.210 9.551 ( -9.071 -1.852 -4.750) 10.406 9.691 ( 2.465 -20.198 -3.393) 20.629 9.808 ( -8.317 -19.281 -8.555) 22.674 11.095 ( 3.062 10.210 5.789) 12.130 11.129 ( 0.388 5.380 6.386) 8.359 11.170 ( 3.362 1.524 9.195) 9.909 11.241 ( -2.318 -3.931 5.912) 7.468 11.762 ( 7.140 4.411 -10.785) 13.666 11.840 ( 4.991 0.730 -14.819) 15.654 11.947 ( -4.193 -1.185 -10.303) 11.186 12.051 ( -8.169 -7.661 -11.566) 16.099 13.044 ( 2.093 1.797 -2.318) 3.603 13.081 ( -1.426 -1.635 -2.953) 3.664 13.130 ( -4.537 0.870 -6.097) 7.650 13.163 ( -7.211 -1.674 -6.715) 9.995 13.849 ( 4.778 19.208 6.267) 20.762 13.936 ( -3.032 20.549 3.563) 21.075 14.204 ( 6.984 -10.086 5.845) 13.590 14.308 ( -2.269 -10.056 2.655) 10.646 14.914 ( 6.205 15.602 2.061) 16.916 15.002 ( -1.653 12.904 -0.639) 13.026 15.398 ( 3.944 -26.211 -0.286) 26.507 15.458 ( -0.942 -24.965 -1.410) 25.023 15.944 ( 6.840 34.983 -1.549) 35.679 16.063 ( -3.535 32.056 -7.106) 33.024 16.710 ( 1.441 -33.743 0.079) 33.774 16.799 ( -6.381 -34.140 -4.290) 34.995 17.954 ( 15.596 3.189 13.657) 20.974 18.017 ( 12.243 -0.590 12.408) 17.441 18.164 ( -2.972 5.493 4.595) 7.754 18.258 ( -9.253 0.547 8.595) 12.641 18.415 ( 3.839 12.030 1.801) 12.755 18.447 ( 1.062 13.723 3.328) 14.161 18.778 ( 2.207 -19.709 9.666) 22.063 18.804 ( 0.618 -19.638 8.870) 21.557 20.978 ( -3.477 8.712 -9.441) 13.308 21.001 ( -5.581 7.777 -10.479) 14.193 21.062 ( -2.878 -0.343 -7.519) 8.058 21.089 ( -5.200 -1.423 -8.495) 10.061 ======================= Grid point 315 (101/120) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.523 ( 0.000 0.000 -15.802) 15.802 3.523 ( 0.000 0.000 15.802) 15.802 3.847 ( 0.000 0.000 -23.851) 23.851 3.847 ( 0.000 0.000 23.851) 23.851 3.877 ( 0.000 0.000 -18.297) 18.297 3.877 ( 0.000 0.000 18.297) 18.297 4.970 ( 0.000 0.000 -2.119) 2.119 4.970 ( 0.000 0.000 2.119) 2.119 5.028 ( 0.000 0.000 -0.326) 0.326 5.028 ( 0.000 0.000 0.326) 0.326 5.822 ( 0.000 0.000 -12.432) 12.432 5.822 ( 0.000 0.000 12.432) 12.432 7.289 ( 0.000 0.000 -13.200) 13.200 7.289 ( 0.000 0.000 13.200) 13.200 7.901 ( 0.000 0.000 -1.468) 1.468 7.901 ( 0.000 0.000 1.468) 1.468 8.877 ( 0.000 0.000 -15.558) 15.558 8.877 ( 0.000 0.000 15.558) 15.558 9.061 ( 0.000 0.000 -5.148) 5.148 9.061 ( 0.000 0.000 5.148) 5.148 9.429 ( 0.000 0.000 -9.813) 9.813 9.429 ( 0.000 0.000 9.813) 9.813 10.077 ( 0.000 0.000 -26.794) 26.794 10.077 ( 0.000 0.000 26.794) 26.794 10.270 ( 0.000 0.000 -6.417) 6.417 10.270 ( 0.000 0.000 6.417) 6.417 11.746 ( 0.000 0.000 -2.122) 2.122 11.746 ( 0.000 0.000 2.122) 2.122 11.797 ( 0.000 0.000 -25.712) 25.712 11.797 ( 0.000 0.000 25.712) 25.712 12.938 ( 0.000 0.000 -8.008) 8.008 12.938 ( 0.000 0.000 8.008) 8.008 13.177 ( 0.000 0.000 -7.714) 7.714 13.177 ( 0.000 0.000 7.714) 7.714 13.370 ( 0.000 0.000 -8.838) 8.838 13.370 ( 0.000 0.000 8.838) 8.838 13.467 ( 0.000 0.000 -12.510) 12.510 13.467 ( 0.000 0.000 12.510) 12.510 14.247 ( 0.000 0.000 -12.207) 12.207 14.247 ( 0.000 0.000 12.207) 12.207 14.567 ( 0.000 0.000 -20.100) 20.100 14.567 ( 0.000 0.000 20.100) 20.100 14.945 ( 0.000 0.000 -17.273) 17.273 14.945 ( 0.000 0.000 17.273) 17.273 15.640 ( 0.000 0.000 -25.524) 25.524 15.640 ( 0.000 0.000 25.524) 25.524 16.432 ( 0.000 0.000 -30.206) 30.206 16.432 ( 0.000 0.000 30.206) 30.206 17.052 ( 0.000 0.000 -30.933) 30.933 17.052 ( 0.000 0.000 30.933) 30.933 18.326 ( 0.000 0.000 -20.343) 20.343 18.326 ( 0.000 0.000 20.343) 20.343 18.685 ( 0.000 0.000 -3.680) 3.680 18.685 ( 0.000 0.000 3.680) 3.680 19.006 ( 0.000 0.000 -5.288) 5.288 19.006 ( 0.000 0.000 5.288) 5.288 21.425 ( 0.000 0.000 -13.111) 13.111 21.425 ( 0.000 0.000 13.111) 13.111 21.519 ( 0.000 0.000 -6.217) 6.217 21.519 ( 0.000 0.000 6.217) 6.217 ======================= Grid point 317 (102/120) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.390 ( -8.226 0.000 -10.872) 13.634 3.390 ( -8.226 0.000 10.872) 13.634 3.939 ( 5.820 0.000 -17.314) 18.265 3.939 ( 5.820 0.000 17.314) 18.265 4.060 ( 13.863 0.000 -12.657) 18.772 4.060 ( 13.863 0.000 12.657) 18.772 4.857 ( -8.934 0.000 -1.039) 8.994 4.857 ( -8.934 0.000 1.039) 8.994 4.958 ( -6.460 0.000 -0.595) 6.487 4.958 ( -6.460 0.000 0.595) 6.487 5.816 ( -0.401 0.000 -10.167) 10.174 5.816 ( -0.401 0.000 10.167) 10.174 7.351 ( 5.073 0.000 -13.878) 14.776 7.351 ( 5.073 0.000 13.878) 14.776 7.907 ( 1.188 0.000 -1.576) 1.973 7.907 ( 1.188 0.000 1.576) 1.973 8.967 ( 8.555 0.000 -13.913) 16.333 8.967 ( 8.555 0.000 13.913) 16.333 9.040 ( -4.324 0.000 -19.041) 19.526 9.040 ( -4.324 0.000 19.041) 19.526 9.505 ( 10.010 0.000 -9.078) 13.514 9.505 ( 10.010 0.000 9.078) 13.514 10.091 ( 1.460 0.000 -25.672) 25.713 10.091 ( 1.460 0.000 25.672) 25.713 10.386 ( 9.131 0.000 -17.138) 19.419 10.386 ( 9.131 0.000 17.138) 19.419 11.604 ( -17.059 0.000 -21.887) 27.750 11.604 ( -17.059 0.000 21.887) 27.750 11.755 ( 0.767 0.000 -0.389) 0.860 11.755 ( 0.767 0.000 0.389) 0.860 12.970 ( 2.591 0.000 -9.644) 9.986 12.970 ( 2.591 0.000 9.644) 9.986 13.013 ( -12.702 0.000 -9.604) 15.924 13.013 ( -12.702 0.000 9.604) 15.924 13.283 ( -6.324 0.000 -11.438) 13.070 13.283 ( -6.324 0.000 11.438) 13.070 13.485 ( 0.162 0.000 -13.096) 13.097 13.485 ( 0.162 0.000 13.096) 13.097 14.182 ( -7.806 0.000 -12.309) 14.576 14.182 ( -7.806 0.000 12.309) 14.576 14.733 ( 11.429 0.000 -16.384) 19.976 14.733 ( 11.429 0.000 16.384) 19.976 15.068 ( 12.717 0.000 -17.145) 21.347 15.068 ( 12.717 0.000 17.145) 21.347 15.502 ( -8.077 0.000 -22.231) 23.653 15.502 ( -8.077 0.000 22.231) 23.653 16.655 ( 17.603 0.000 -29.871) 34.672 16.655 ( 17.603 0.000 29.871) 34.672 17.126 ( 6.798 0.000 -30.637) 31.382 17.126 ( 6.798 0.000 30.637) 31.382 18.269 ( -4.699 0.000 -19.895) 20.442 18.269 ( -4.699 0.000 19.895) 20.442 18.812 ( 10.970 0.000 -2.293) 11.207 18.812 ( 10.970 0.000 2.293) 11.207 19.021 ( 1.514 0.000 -5.100) 5.320 19.021 ( 1.514 0.000 5.100) 5.320 21.290 ( -12.685 0.000 -12.308) 17.674 21.290 ( -12.685 0.000 12.308) 17.674 21.452 ( -6.266 0.000 -6.265) 8.861 21.452 ( -6.266 0.000 6.265) 8.861 ======================= Grid point 319 (103/120) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.230 ( -7.267 0.000 -14.234) 15.982 3.230 ( -7.267 0.000 14.234) 15.982 4.103 ( 9.222 0.000 -14.973) 17.585 4.103 ( 9.222 0.000 14.973) 17.585 4.218 ( -1.877 0.000 -10.128) 10.300 4.218 ( -1.877 0.000 10.128) 10.300 4.731 ( -0.486 0.000 -3.300) 3.335 4.731 ( -0.486 0.000 3.300) 3.335 4.777 ( -10.209 0.000 -0.643) 10.229 4.777 ( -10.209 0.000 0.643) 10.229 5.832 ( 2.758 0.000 -5.874) 6.489 5.832 ( 2.758 0.000 5.874) 6.489 7.453 ( 3.763 0.000 -13.985) 14.482 7.453 ( 3.763 0.000 13.985) 14.482 7.975 ( 5.521 0.000 -7.616) 9.407 7.975 ( 5.521 0.000 7.616) 9.407 8.898 ( -7.659 0.000 -20.010) 21.426 8.898 ( -7.659 0.000 20.010) 21.426 9.219 ( 14.715 0.000 -10.778) 18.240 9.219 ( 14.715 0.000 10.778) 18.240 9.819 ( 17.483 0.000 -21.137) 27.430 9.819 ( 17.483 0.000 21.137) 27.430 10.143 ( 3.613 0.000 -21.775) 22.072 10.143 ( 3.613 0.000 21.775) 22.072 10.574 ( 8.032 0.000 -25.321) 26.564 10.574 ( 8.032 0.000 25.321) 26.564 11.173 ( -22.135 0.000 -13.404) 25.877 11.173 ( -22.135 0.000 13.404) 25.877 11.768 ( 0.017 0.000 -4.617) 4.617 11.768 ( 0.017 0.000 4.617) 4.617 12.739 ( -12.345 0.000 -9.153) 15.368 12.739 ( -12.345 0.000 9.153) 15.368 12.992 ( -2.623 0.000 -6.159) 6.694 12.992 ( -2.623 0.000 6.159) 6.694 13.206 ( 1.490 0.000 -9.759) 9.872 13.206 ( 1.490 0.000 9.759) 9.872 13.438 ( -5.255 0.000 -9.697) 11.030 13.438 ( -5.255 0.000 9.697) 11.030 13.948 ( -12.082 0.000 -7.329) 14.131 13.948 ( -12.082 0.000 7.329) 14.131 14.786 ( -8.492 0.000 -15.549) 17.717 14.786 ( -8.492 0.000 15.549) 17.717 15.451 ( 22.408 0.000 -17.698) 28.554 15.451 ( 22.408 0.000 17.698) 28.554 15.537 ( 12.401 0.000 -9.663) 15.721 15.537 ( 12.401 0.000 9.663) 15.721 17.058 ( 19.638 0.000 -26.691) 33.137 17.058 ( 19.638 0.000 26.691) 33.137 17.301 ( 8.067 0.000 -30.153) 31.213 17.301 ( 8.067 0.000 30.153) 31.213 18.172 ( -2.874 0.000 -17.126) 17.366 18.172 ( -2.874 0.000 17.126) 17.366 19.068 ( 2.915 0.000 -4.540) 5.395 19.068 ( 2.915 0.000 4.540) 5.395 19.085 ( 13.966 0.000 -2.323) 14.158 19.085 ( 13.966 0.000 2.323) 14.158 20.920 ( -22.056 0.000 -10.779) 24.549 20.920 ( -22.056 0.000 10.779) 24.549 21.269 ( -10.789 0.000 -6.223) 12.455 21.269 ( -10.789 0.000 6.223) 12.455 ======================= Grid point 321 (104/120) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.082 ( -6.671 0.000 -13.938) 15.452 3.082 ( -6.671 0.000 13.938) 15.452 4.076 ( -7.962 0.000 -7.767) 11.123 4.076 ( -7.962 0.000 7.767) 11.123 4.287 ( 7.165 0.000 -13.031) 14.871 4.287 ( 7.165 0.000 13.031) 14.871 4.573 ( -7.966 0.000 -3.788) 8.821 4.573 ( -7.966 0.000 3.788) 8.821 4.760 ( 0.945 0.000 -4.149) 4.255 4.760 ( 0.945 0.000 4.149) 4.255 5.936 ( 6.271 0.000 -1.533) 6.456 5.936 ( 6.271 0.000 1.533) 6.456 7.495 ( 0.465 0.000 -10.617) 10.627 7.495 ( 0.465 0.000 10.617) 10.627 8.120 ( 7.187 0.000 -16.917) 18.381 8.120 ( 7.187 0.000 16.917) 18.381 8.764 ( -4.396 0.000 -13.402) 14.104 8.764 ( -4.396 0.000 13.402) 14.104 9.528 ( 13.858 0.000 -9.182) 16.624 9.528 ( 13.858 0.000 9.182) 16.624 10.132 ( 10.393 0.000 -20.204) 22.720 10.132 ( 10.393 0.000 20.204) 22.720 10.220 ( 1.951 0.000 -14.956) 15.083 10.220 ( 1.951 0.000 14.956) 15.083 10.741 ( 9.460 0.000 -26.063) 27.726 10.741 ( 9.460 0.000 26.063) 27.726 10.763 ( -14.858 0.000 -6.505) 16.220 10.763 ( -14.858 0.000 6.505) 16.220 11.731 ( -4.190 0.000 -7.346) 8.457 11.731 ( -4.190 0.000 7.346) 8.457 12.527 ( -7.681 0.000 -7.475) 10.718 12.527 ( -7.681 0.000 7.475) 10.718 12.885 ( -5.750 0.000 -2.879) 6.430 12.885 ( -5.750 0.000 2.879) 6.430 13.268 ( -9.544 0.000 -10.273) 14.023 13.268 ( -9.544 0.000 10.273) 14.023 13.331 ( 8.638 0.000 -8.927) 12.422 13.331 ( 8.638 0.000 8.927) 12.422 13.760 ( -5.639 0.000 -2.875) 6.329 13.760 ( -5.639 0.000 2.875) 6.329 14.518 ( -14.419 0.000 -17.205) 22.448 14.518 ( -14.419 0.000 17.205) 22.448 15.843 ( 13.750 0.000 -7.676) 15.747 15.843 ( 13.750 0.000 7.676) 15.747 15.946 ( 23.894 0.000 -17.440) 29.581 15.946 ( 23.894 0.000 17.440) 29.581 17.342 ( -5.881 0.000 -26.509) 27.154 17.342 ( -5.881 0.000 26.509) 27.154 17.430 ( 15.193 0.000 -19.223) 24.501 17.430 ( 15.193 0.000 19.223) 24.501 18.253 ( 11.730 0.000 -13.300) 17.734 18.253 ( 11.730 0.000 13.300) 17.734 19.139 ( 3.676 0.000 -3.473) 5.057 19.139 ( 3.676 0.000 3.473) 5.057 19.356 ( 11.477 0.000 -9.224) 14.724 19.356 ( 11.477 0.000 9.224) 14.724 20.408 ( -25.952 0.000 -10.645) 28.050 20.408 ( -25.952 0.000 10.645) 28.050 21.030 ( -11.311 0.000 -5.358) 12.516 21.030 ( -11.311 0.000 5.358) 12.516 ======================= Grid point 323 (105/120) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( -3.057 0.000 -5.951) 6.690 2.974 ( -3.057 0.000 5.951) 6.690 3.957 ( -2.951 0.000 -3.057) 4.249 3.957 ( -2.951 0.000 3.057) 4.249 4.334 ( -1.479 0.000 -5.255) 5.459 4.334 ( -1.479 0.000 5.255) 5.459 4.515 ( 1.207 0.000 -2.199) 2.509 4.515 ( 1.207 0.000 2.199) 2.509 4.761 ( -0.301 0.000 -1.690) 1.717 4.761 ( -0.301 0.000 1.690) 1.717 6.043 ( 3.060 0.000 -0.587) 3.116 6.043 ( 3.060 0.000 0.587) 3.116 7.491 ( -0.389 0.000 -3.938) 3.957 7.491 ( -0.389 0.000 3.938) 3.957 8.221 ( 2.117 0.000 -12.213) 12.395 8.221 ( 2.117 0.000 12.213) 12.395 8.728 ( 0.204 0.000 -9.160) 9.162 8.728 ( 0.204 0.000 9.160) 9.162 9.775 ( 9.148 0.000 -6.147) 11.021 9.775 ( 9.148 0.000 6.147) 11.021 10.138 ( -7.719 0.000 -6.129) 9.856 10.138 ( -7.719 0.000 6.129) 9.856 10.235 ( 1.121 0.000 -6.627) 6.721 10.235 ( 1.121 0.000 6.627) 6.721 10.628 ( -0.248 0.000 -4.471) 4.478 10.628 ( -0.248 0.000 4.471) 4.478 10.968 ( 9.411 0.000 -10.982) 14.463 10.968 ( 9.411 0.000 10.982) 14.463 11.600 ( -6.465 0.000 -4.490) 7.872 11.600 ( -6.465 0.000 4.490) 7.872 12.422 ( -2.434 0.000 -3.279) 4.083 12.422 ( -2.434 0.000 3.279) 4.083 12.793 ( -2.532 0.000 -1.437) 2.911 12.793 ( -2.532 0.000 1.437) 2.911 13.116 ( -3.950 0.000 -5.421) 6.708 13.116 ( -3.950 0.000 5.421) 6.708 13.507 ( 6.391 0.000 -6.239) 8.931 13.507 ( 6.391 0.000 6.239) 8.931 13.690 ( -1.555 0.000 -1.654) 2.270 13.690 ( -1.555 0.000 1.654) 2.270 14.259 ( -8.420 0.000 -9.188) 12.462 14.259 ( -8.420 0.000 9.188) 12.462 16.047 ( 5.190 0.000 -2.887) 5.939 16.047 ( 5.190 0.000 2.887) 5.939 16.388 ( 15.789 0.000 -12.481) 20.126 16.388 ( 15.789 0.000 12.481) 20.126 17.125 ( -10.930 0.000 -15.338) 18.834 17.125 ( -10.930 0.000 15.338) 18.834 17.657 ( 5.804 0.000 -7.121) 9.187 17.657 ( 5.804 0.000 7.121) 9.187 18.547 ( 11.490 0.000 -7.635) 13.795 18.547 ( 11.490 0.000 7.635) 13.795 19.204 ( 2.018 0.000 -1.430) 2.474 19.204 ( 2.018 0.000 1.430) 2.474 19.567 ( 9.748 0.000 -17.240) 19.806 19.567 ( 9.748 0.000 17.240) 19.806 19.900 ( -20.436 0.000 -14.680) 25.162 19.900 ( -20.436 0.000 14.680) 25.162 20.844 ( -5.238 0.000 -2.347) 5.740 20.844 ( -5.238 0.000 2.347) 5.740 ======================= Grid point 333 (106/120) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.485 ( 0.000 -5.211 -1.925) 5.555 3.485 ( 0.000 -5.211 1.925) 5.555 3.771 ( 0.000 2.016 -18.199) 18.311 3.771 ( 0.000 2.016 18.199) 18.311 4.056 ( 0.000 10.266 -0.676) 10.289 4.056 ( 0.000 10.266 0.676) 10.289 4.827 ( 0.000 -11.592 -0.146) 11.593 4.827 ( 0.000 -11.592 0.146) 11.593 5.070 ( 0.000 1.198 -1.480) 1.904 5.070 ( 0.000 1.198 1.480) 1.904 5.723 ( 0.000 -9.177 -11.308) 14.564 5.723 ( 0.000 -9.177 11.308) 14.564 7.355 ( 0.000 5.641 -11.529) 12.835 7.355 ( 0.000 5.641 11.529) 12.835 7.901 ( 0.000 0.028 -1.323) 1.323 7.901 ( 0.000 0.028 1.323) 1.323 8.870 ( 0.000 0.033 -11.435) 11.435 8.870 ( 0.000 0.033 11.435) 11.435 9.143 ( 0.000 6.488 -13.200) 14.708 9.143 ( 0.000 6.488 13.200) 14.708 9.458 ( 0.000 3.670 -4.176) 5.560 9.458 ( 0.000 3.670 4.176) 5.560 9.976 ( 0.000 -5.831 -14.353) 15.492 9.976 ( 0.000 -5.831 14.353) 15.492 10.410 ( 0.000 10.124 -1.201) 10.195 10.410 ( 0.000 10.124 1.201) 10.195 11.725 ( 0.000 -1.576 -0.963) 1.847 11.725 ( 0.000 -1.576 0.963) 1.847 11.753 ( 0.000 -4.866 -25.564) 26.023 11.753 ( 0.000 -4.866 25.564) 26.023 13.057 ( 0.000 8.933 -7.998) 11.990 13.057 ( 0.000 8.933 7.998) 11.990 13.190 ( 0.000 -0.910 -0.733) 1.168 13.190 ( 0.000 -0.910 0.733) 1.168 13.272 ( 0.000 -3.988 -0.402) 4.008 13.272 ( 0.000 -3.988 0.402) 4.008 13.414 ( 0.000 -6.492 -10.519) 12.361 13.414 ( 0.000 -6.492 10.519) 12.361 14.250 ( 0.000 1.367 -13.781) 13.849 14.250 ( 0.000 1.367 13.781) 13.849 14.482 ( 0.000 -5.186 -18.612) 19.321 14.482 ( 0.000 -5.186 18.612) 19.321 15.087 ( 0.000 9.703 -17.285) 19.822 15.087 ( 0.000 9.703 17.285) 19.822 15.768 ( 0.000 12.898 -25.666) 28.724 15.768 ( 0.000 12.898 25.666) 28.724 16.425 ( 0.000 -0.736 -26.756) 26.766 16.425 ( 0.000 -0.736 26.756) 26.766 17.064 ( 0.000 1.310 -27.316) 27.347 17.064 ( 0.000 1.310 27.316) 27.347 18.278 ( 0.000 -5.106 -19.464) 20.122 18.278 ( 0.000 -5.106 19.464) 20.122 18.527 ( 0.000 -15.784 -7.027) 17.278 18.527 ( 0.000 -15.784 7.027) 17.278 18.919 ( 0.000 -7.455 -3.125) 8.083 18.919 ( 0.000 -7.455 3.125) 8.083 21.493 ( 0.000 6.089 -11.392) 12.918 21.493 ( 0.000 6.089 11.392) 12.918 21.557 ( 0.000 3.695 -5.709) 6.801 21.557 ( 0.000 3.695 5.709) 6.801 ======================= Grid point 335 (107/120) ======================= q-point: ( 0.11 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.387 ( -6.670 -0.699 -7.662) 10.182 3.387 ( -6.670 -0.699 7.662) 10.182 3.849 ( 5.725 -2.983 -15.299) 16.606 3.849 ( 5.725 -2.983 15.299) 16.606 4.213 ( 12.149 10.190 -4.013) 16.357 4.213 ( 12.149 10.190 4.013) 16.357 4.733 ( -7.731 -10.922 -0.593) 13.394 4.733 ( -7.731 -10.922 0.593) 13.394 4.986 ( -7.441 1.025 -0.956) 7.572 4.986 ( -7.441 1.025 0.956) 7.572 5.714 ( -0.672 -9.336 -9.278) 13.179 5.714 ( -0.672 -9.336 9.278) 13.179 7.428 ( 6.325 6.629 -11.837) 14.969 7.428 ( 6.325 6.629 11.837) 14.969 7.931 ( 2.923 2.452 -1.337) 4.043 7.931 ( 2.923 2.452 1.337) 4.043 8.922 ( 4.336 -2.034 -12.039) 12.956 8.922 ( 4.336 -2.034 12.039) 12.956 9.118 ( -2.087 4.734 -21.445) 22.061 9.118 ( -2.087 4.734 21.445) 22.061 9.554 ( 9.272 5.293 -8.741) 13.798 9.554 ( 9.272 5.293 8.741) 13.798 10.012 ( 3.792 -5.584 -18.233) 19.442 10.012 ( 3.792 -5.584 18.233) 19.442 10.471 ( 4.578 6.686 -18.087) 19.820 10.471 ( 4.578 6.686 18.087) 19.820 11.585 ( -13.943 -1.607 -20.381) 24.746 11.585 ( -13.943 -1.607 20.381) 24.746 11.738 ( 0.416 -2.262 -1.497) 2.744 11.738 ( 0.416 -2.262 1.497) 2.744 12.922 ( -11.513 -2.574 -7.665) 14.069 12.922 ( -11.513 -2.574 7.665) 14.069 13.165 ( -5.735 -8.491 -7.941) 12.963 13.165 ( -5.735 -8.491 7.941) 12.963 13.198 ( 0.308 14.559 -8.276) 16.750 13.198 ( 0.308 14.559 8.276) 16.750 13.504 ( 3.922 -0.646 -8.064) 8.990 13.504 ( 3.922 -0.646 8.064) 8.990 14.165 ( -8.332 -0.625 -14.526) 16.757 14.165 ( -8.332 -0.625 14.526) 16.757 14.582 ( 9.479 -9.924 -16.629) 21.561 14.582 ( 9.479 -9.924 16.629) 21.561 15.241 ( 12.131 11.519 -15.880) 23.066 15.241 ( 12.131 11.519 15.880) 23.066 15.608 ( -9.611 10.619 -22.995) 27.091 15.608 ( -9.611 10.619 22.995) 27.091 16.640 ( 16.355 -1.311 -25.729) 30.515 16.640 ( 16.355 -1.311 25.729) 30.515 17.150 ( 8.183 2.528 -25.590) 26.985 17.150 ( 8.183 2.528 25.590) 26.985 18.234 ( -3.769 -3.597 -18.833) 19.540 18.234 ( -3.769 -3.597 18.833) 19.540 18.609 ( 6.502 -18.865 -6.040) 20.848 18.609 ( 6.502 -18.865 6.040) 20.848 18.965 ( 4.813 -5.886 -2.554) 8.021 18.965 ( 4.813 -5.886 2.554) 8.021 21.368 ( -11.687 7.075 -10.700) 17.353 21.368 ( -11.687 7.075 10.700) 17.353 21.490 ( -6.297 3.583 -5.330) 8.994 21.490 ( -6.297 3.583 5.330) 8.994 ======================= Grid point 337 (108/120) ======================= q-point: ( 0.22 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.254 ( -6.048 2.485 -12.362) 13.985 3.254 ( -6.048 2.485 12.363) 13.985 3.977 ( 5.562 -6.671 -8.266) 11.990 3.977 ( 5.562 -6.671 8.266) 11.990 4.356 ( -2.711 7.561 -6.464) 10.311 4.356 ( -2.711 7.561 6.464) 10.311 4.645 ( 2.423 -7.443 -4.558) 9.058 4.645 ( 2.423 -7.443 4.558) 9.058 4.797 ( -9.077 1.022 -0.680) 9.159 4.797 ( -9.077 1.022 0.680) 9.159 5.716 ( 1.556 -10.318 -5.467) 11.780 5.716 ( 1.556 -10.318 5.467) 11.780 7.575 ( 6.681 10.939 -12.018) 17.571 7.575 ( 6.681 10.939 12.018) 17.571 8.024 ( 6.041 5.140 -6.214) 10.076 8.024 ( 6.041 5.140 6.214) 10.076 8.914 ( -5.651 1.593 -15.995) 17.039 8.914 ( -5.651 1.593 15.995) 17.039 9.204 ( 10.881 -1.905 -14.317) 18.083 9.204 ( 10.881 -1.905 14.317) 18.083 9.784 ( 10.931 -3.364 -17.793) 21.152 9.784 ( 10.931 -3.364 17.793) 21.152 10.153 ( 9.298 0.359 -17.431) 19.759 10.153 ( 9.298 0.359 17.431) 19.759 10.547 ( 2.352 -0.507 -24.372) 24.490 10.547 ( 2.352 -0.507 24.372) 24.490 11.252 ( -15.740 6.630 -11.495) 20.587 11.252 ( -15.740 6.630 11.495) 20.587 11.737 ( -0.913 -3.433 -4.560) 5.781 11.737 ( -0.913 -3.433 4.560) 5.781 12.656 ( -12.530 -7.002 -7.835) 16.353 12.656 ( -12.530 -7.002 7.835) 16.353 13.049 ( -5.133 -1.856 -7.187) 9.025 13.049 ( -5.133 -1.856 7.187) 9.025 13.212 ( 0.524 9.114 -8.224) 12.287 13.212 ( 0.524 9.114 8.224) 12.287 13.547 ( 0.553 8.200 -2.064) 8.474 13.547 ( 0.553 8.200 2.064) 8.474 13.917 ( -13.283 -1.382 -9.495) 16.386 13.917 ( -13.283 -1.382 9.495) 16.386 14.817 ( 7.637 -3.461 -11.320) 14.087 14.817 ( 7.637 -3.461 11.320) 14.087 15.302 ( -1.064 2.002 -12.469) 12.673 15.302 ( -1.064 2.002 12.469) 12.673 15.717 ( 17.325 6.061 -11.045) 21.422 15.717 ( 17.325 6.061 11.045) 21.422 16.995 ( 16.394 -4.815 -20.791) 26.911 16.995 ( 16.394 -4.815 20.791) 26.911 17.384 ( 12.850 6.999 -21.798) 26.254 17.384 ( 12.850 6.999 21.798) 26.254 18.148 ( -3.259 -2.204 -15.847) 16.328 18.148 ( -3.259 -2.204 15.847) 16.328 18.736 ( 4.849 -23.063 -4.375) 23.970 18.736 ( 4.849 -23.063 4.375) 23.970 19.130 ( 10.460 -4.157 -0.072) 11.256 19.130 ( 10.460 -4.157 0.072) 11.256 21.030 ( -19.897 9.895 -9.085) 24.007 21.030 ( -19.897 9.895 9.085) 24.007 21.307 ( -10.724 3.542 -5.358) 12.500 21.307 ( -10.724 3.542 5.358) 12.500 ======================= Grid point 339 (109/120) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( -5.254 5.303 -12.425) 14.495 3.135 ( -5.254 5.303 12.425) 14.495 4.008 ( -3.224 -5.463 -5.979) 8.717 4.008 ( -3.224 -5.463 5.979) 8.717 4.296 ( 0.576 -0.523 -13.415) 13.438 4.296 ( 0.576 -0.523 13.415) 13.438 4.550 ( -8.683 -2.669 -4.373) 10.082 4.550 ( -8.683 -2.669 4.373) 10.082 4.788 ( 3.820 2.910 -3.165) 5.752 4.788 ( 3.820 2.910 3.165) 5.752 5.787 ( 4.583 -13.103 -2.089) 14.038 5.787 ( 4.583 -13.103 2.089) 14.038 7.671 ( 2.316 16.342 -9.420) 19.004 7.671 ( 2.316 16.342 9.420) 19.004 8.178 ( 7.758 5.891 -15.929) 18.672 8.178 ( 7.758 5.891 15.929) 18.672 8.789 ( -5.005 2.616 -10.431) 11.862 8.789 ( -5.005 2.616 10.431) 11.862 9.448 ( 10.846 -7.857 -10.272) 16.878 9.448 ( 10.846 -7.857 10.272) 16.878 9.978 ( 6.929 -11.488 -17.906) 22.375 9.978 ( 6.929 -11.488 17.906) 22.375 10.274 ( -0.401 -1.681 -5.739) 5.994 10.274 ( -0.401 -1.681 5.739) 5.994 10.636 ( 7.312 2.794 -1.652) 8.000 10.636 ( 7.312 2.794 1.652) 8.000 11.012 ( -5.114 13.887 -10.911) 18.386 11.012 ( -5.114 13.887 10.911) 18.386 11.683 ( -4.557 -4.750 -6.969) 9.586 11.683 ( -4.557 -4.750 6.969) 9.586 12.432 ( -8.732 -8.758 -6.987) 14.205 12.432 ( -8.732 -8.758 6.987) 14.205 12.958 ( -3.501 4.854 -3.506) 6.936 12.958 ( -3.501 4.854 3.506) 6.936 13.184 ( -3.910 -0.561 -2.491) 4.670 13.184 ( -3.910 -0.561 2.491) 4.670 13.543 ( -0.081 14.090 -7.576) 15.998 13.543 ( -0.081 14.090 7.576) 15.998 13.715 ( -4.876 -1.094 -0.990) 5.094 13.715 ( -4.876 -1.094 0.990) 5.094 14.751 ( -9.432 20.445 -12.979) 25.988 14.751 ( -9.432 20.445 12.979) 25.988 15.494 ( 14.794 -21.644 -9.633) 27.931 15.494 ( 14.794 -21.644 9.633) 27.931 16.074 ( 15.263 -0.370 -9.124) 17.787 16.074 ( 15.263 -0.370 9.124) 17.787 17.271 ( 8.102 -3.616 -15.984) 18.282 17.271 ( 8.102 -3.616 15.984) 18.282 17.593 ( 5.957 12.611 -15.665) 20.974 17.593 ( 5.957 12.611 15.665) 20.974 18.196 ( 9.888 -5.795 -11.971) 16.573 18.196 ( 9.888 -5.795 11.971) 16.573 18.806 ( 1.778 -24.537 -2.300) 24.709 18.806 ( 1.778 -24.537 2.300) 24.709 19.356 ( 10.191 -5.465 -3.640) 12.123 19.356 ( 10.191 -5.465 3.640) 12.123 20.582 ( -21.661 15.058 -7.594) 27.452 20.582 ( -21.661 15.058 7.594) 27.452 21.070 ( -11.091 3.747 -4.700) 12.615 21.070 ( -11.091 3.747 4.700) 12.615 ======================= Grid point 341 (110/120) ======================= q-point: ( 0.44 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.050 ( -2.390 7.586 -5.351) 9.586 3.050 ( -2.390 7.586 5.351) 9.586 3.932 ( -2.341 -2.444 -3.065) 4.566 3.932 ( -2.341 -2.444 3.065) 4.566 4.320 ( 0.258 -2.303 -8.110) 8.435 4.320 ( 0.258 -2.303 8.110) 8.435 4.423 ( -2.741 -6.717 -4.399) 8.484 4.423 ( -2.741 -6.717 4.399) 8.484 4.845 ( 1.527 6.407 -1.538) 6.764 4.845 ( 1.527 6.407 1.538) 6.764 5.868 ( 2.354 -15.535 -0.707) 15.729 5.868 ( 2.354 -15.535 0.707) 15.729 7.690 ( 0.117 18.654 -3.423) 18.966 7.690 ( 0.117 18.654 3.423) 18.966 8.288 ( 2.251 6.797 -12.342) 14.269 8.288 ( 2.251 6.797 12.342) 14.269 8.738 ( -0.214 1.397 -8.130) 8.252 8.738 ( -0.214 1.397 8.130) 8.252 9.628 ( 5.790 -12.826 -4.992) 14.931 9.628 ( 5.790 -12.826 4.992) 14.931 10.004 ( -3.247 -12.101 -8.256) 15.004 10.004 ( -3.247 -12.101 8.256) 15.004 10.264 ( 1.100 -1.397 -0.939) 2.011 10.264 ( 1.100 -1.397 0.939) 2.011 10.708 ( -0.131 8.723 -4.169) 9.669 10.708 ( -0.131 8.723 4.169) 9.669 11.095 ( 8.568 11.212 -11.052) 17.923 11.095 ( 8.568 11.212 11.052) 17.923 11.553 ( -6.548 -3.967 -5.323) 9.325 11.553 ( -6.548 -3.967 5.323) 9.325 12.299 ( -3.557 -10.233 -3.052) 11.255 12.299 ( -3.557 -10.233 3.052) 11.255 12.907 ( -1.347 8.602 -0.528) 8.723 12.907 ( -1.347 8.602 0.528) 8.723 13.095 ( -2.832 -1.448 -4.044) 5.145 13.095 ( -2.832 -1.448 4.044) 5.145 13.557 ( 0.699 -1.961 -3.999) 4.509 13.557 ( 0.699 -1.961 3.999) 4.509 13.680 ( 0.165 11.268 -0.776) 11.296 13.680 ( 0.165 11.268 0.776) 11.296 14.579 ( -5.215 27.189 -6.282) 28.389 14.579 ( -5.215 27.189 6.282) 28.389 15.744 ( 7.012 -24.643 -4.518) 26.016 15.744 ( 7.012 -24.643 4.518) 26.016 16.314 ( 6.707 -10.749 -3.987) 13.282 16.314 ( 6.707 -10.749 3.987) 13.282 17.303 ( -2.114 12.930 -8.332) 15.527 17.303 ( -2.114 12.930 8.332) 15.527 17.692 ( 3.400 4.690 -6.092) 8.406 17.692 ( 3.400 4.690 6.092) 8.406 18.480 ( 12.939 -7.497 -8.751) 17.326 18.480 ( 12.939 -7.497 8.751) 17.326 18.789 ( -3.647 -27.666 -3.685) 28.148 18.789 ( -3.647 -27.666 3.685) 28.148 19.524 ( 5.131 -8.726 -4.058) 10.905 19.524 ( 5.131 -8.726 4.058) 10.905 20.207 ( -11.633 23.045 -4.667) 26.233 20.207 ( -11.633 23.045 4.667) 26.233 20.890 ( -5.059 4.128 -2.064) 6.848 20.890 ( -5.059 4.128 2.064) 6.848 ======================= Grid point 351 (111/120) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.378 ( 0.000 -3.590 -5.589) 6.642 3.378 ( 0.000 -3.590 5.589) 6.642 3.903 ( 0.000 9.368 -19.004) 21.187 3.903 ( 0.000 9.368 19.004) 21.187 4.208 ( 0.000 1.594 -5.436) 5.665 4.208 ( 0.000 1.594 5.436) 5.665 4.608 ( 0.000 -5.889 -7.115) 9.236 4.608 ( 0.000 -5.889 7.115) 9.236 5.044 ( 0.000 -4.210 -3.509) 5.481 5.044 ( 0.000 -4.210 3.509) 5.481 5.516 ( 0.000 -11.054 -8.568) 13.986 5.516 ( 0.000 -11.054 8.568) 13.986 7.462 ( 0.000 4.606 -7.187) 8.536 7.462 ( 0.000 4.606 7.187) 8.536 7.904 ( 0.000 0.271 -1.032) 1.067 7.904 ( 0.000 0.271 1.032) 1.067 8.894 ( 0.000 2.513 -7.923) 8.312 8.894 ( 0.000 2.513 7.923) 8.312 9.219 ( 0.000 0.155 -12.980) 12.981 9.219 ( 0.000 0.155 12.980) 12.981 9.604 ( 0.000 10.802 -0.207) 10.804 9.604 ( 0.000 10.802 0.207) 10.804 9.909 ( 0.000 -1.187 -6.783) 6.886 9.909 ( 0.000 -1.187 6.783) 6.886 10.620 ( 0.000 12.002 -6.009) 13.422 10.620 ( 0.000 12.002 6.009) 13.422 11.593 ( 0.000 -11.650 -26.170) 28.646 11.593 ( 0.000 -11.650 26.170) 28.646 11.714 ( 0.000 0.426 -1.411) 1.474 11.714 ( 0.000 0.426 1.411) 1.474 13.031 ( 0.000 -9.926 -8.011) 12.756 13.031 ( 0.000 -9.926 8.011) 12.756 13.048 ( 0.000 -9.518 -2.372) 9.809 13.048 ( 0.000 -9.518 2.372) 9.809 13.302 ( 0.000 -1.068 -2.016) 2.281 13.302 ( 0.000 -1.068 2.016) 2.281 13.473 ( 0.000 15.168 -7.194) 16.788 13.473 ( 0.000 15.168 7.194) 16.788 14.299 ( 0.000 1.382 -9.921) 10.017 14.299 ( 0.000 1.382 9.921) 10.017 14.453 ( 0.000 4.753 -11.221) 12.186 14.453 ( 0.000 4.753 11.221) 12.186 15.202 ( 0.000 0.841 -13.133) 13.160 15.202 ( 0.000 0.841 13.133) 13.160 16.099 ( 0.000 18.401 -23.489) 29.838 16.099 ( 0.000 18.401 23.489) 29.838 16.425 ( 0.000 2.758 -19.852) 20.042 16.425 ( 0.000 2.758 19.852) 20.043 17.105 ( 0.000 2.786 -19.607) 19.804 17.105 ( 0.000 2.786 19.607) 19.804 18.012 ( 0.000 -25.443 -0.979) 25.462 18.012 ( 0.000 -25.443 0.979) 25.462 18.249 ( 0.000 -7.256 -5.005) 8.815 18.249 ( 0.000 -7.256 5.005) 8.815 18.763 ( 0.000 -7.913 -1.146) 7.995 18.763 ( 0.000 -7.913 1.146) 7.995 21.616 ( 0.000 5.660 -6.273) 8.450 21.616 ( 0.000 5.660 6.273) 8.450 21.646 ( 0.000 4.855 -5.177) 7.097 21.646 ( 0.000 4.855 5.177) 7.097 ======================= Grid point 353 (112/120) ======================= q-point: ( 0.11 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.366 ( -1.278 -0.477 -6.337) 6.482 3.366 ( -1.278 -0.477 6.337) 6.482 3.883 ( -0.427 5.608 -14.468) 15.523 3.883 ( -0.427 5.608 14.468) 15.523 4.330 ( 8.511 -5.287 -4.710) 11.071 4.330 ( 8.511 -5.287 4.710) 11.071 4.552 ( -4.295 0.342 -9.112) 10.079 4.552 ( -4.295 0.342 9.112) 10.079 4.964 ( -7.040 -3.567 -2.116) 8.171 4.964 ( -7.040 -3.567 2.116) 8.171 5.510 ( -0.426 -10.442 -7.090) 12.629 5.510 ( -0.426 -10.442 7.090) 12.629 7.554 ( 8.560 5.471 -6.781) 12.215 7.554 ( 8.560 5.471 6.781) 12.215 7.995 ( 7.926 3.650 -1.057) 8.790 7.995 ( 7.926 3.650 1.057) 8.790 8.913 ( 1.767 1.188 -10.028) 10.251 8.913 ( 1.767 1.188 10.028) 10.251 9.162 ( -3.364 -0.774 -17.289) 17.630 9.162 ( -3.364 -0.774 17.289) 17.630 9.694 ( 3.769 7.429 -6.610) 10.634 9.694 ( 3.769 7.429 6.610) 10.634 9.949 ( 6.365 0.287 -8.548) 10.661 9.949 ( 6.365 0.287 8.548) 10.661 10.618 ( -0.471 9.038 -17.613) 19.802 10.618 ( -0.471 9.038 17.613) 19.802 11.516 ( -6.915 -7.734 -22.643) 24.907 11.516 ( -6.915 -7.734 22.643) 24.907 11.684 ( -1.917 -1.398 -2.260) 3.277 11.684 ( -1.917 -1.398 2.260) 3.277 12.847 ( -15.045 -5.611 -7.100) 17.557 12.847 ( -15.045 -5.611 7.100) 17.557 13.016 ( -1.414 -4.782 -5.724) 7.592 13.016 ( -1.414 -4.782 5.724) 7.592 13.389 ( 4.956 -5.816 -7.590) 10.770 13.389 ( 4.956 -5.816 7.590) 10.770 13.565 ( 6.585 15.786 -5.664) 18.017 13.565 ( 6.585 15.786 5.664) 18.017 14.181 ( -8.196 0.901 -13.112) 15.489 14.181 ( -8.196 0.901 13.112) 15.489 14.474 ( 2.125 1.690 -11.518) 11.834 14.474 ( 2.125 1.690 11.518) 11.834 15.357 ( 12.605 -1.355 -12.114) 17.535 15.357 ( 12.605 -1.355 12.114) 17.535 15.903 ( -12.869 18.320 -21.197) 30.831 15.903 ( -12.869 18.320 21.197) 30.831 16.627 ( 13.432 1.066 -19.014) 23.304 16.627 ( 13.432 1.066 19.014) 23.304 17.218 ( 10.580 3.899 -18.030) 21.266 17.218 ( 10.580 3.899 18.030) 21.266 18.042 ( 2.216 -22.109 -5.500) 22.891 18.042 ( 2.216 -22.109 5.500) 22.891 18.268 ( 1.657 -7.665 -6.730) 10.334 18.268 ( 1.657 -7.665 6.730) 10.334 18.810 ( 4.753 -9.293 -1.463) 10.540 18.810 ( 4.753 -9.293 1.463) 10.540 21.515 ( -9.667 7.030 -6.860) 13.781 21.515 ( -9.667 7.030 6.860) 13.781 21.572 ( -6.627 4.300 -2.842) 8.396 21.572 ( -6.627 4.300 2.842) 8.396 ======================= Grid point 355 (113/120) ======================= q-point: ( 0.22 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.325 ( -2.415 4.752 -8.594) 10.113 3.325 ( -2.415 4.752 8.594) 10.113 3.902 ( 1.512 -0.945 -6.214) 6.465 3.902 ( 1.512 -0.945 6.214) 6.465 4.357 ( -5.657 -9.105 -8.830) 13.888 4.357 ( -5.657 -9.105 8.830) 13.888 4.551 ( 1.386 -0.884 -5.577) 5.814 4.551 ( 1.386 -0.884 5.577) 5.814 4.817 ( -3.797 1.955 -1.850) 4.654 4.817 ( -3.797 1.955 1.850) 4.654 5.507 ( 0.336 -9.811 -4.398) 10.757 5.507 ( 0.336 -9.811 4.398) 10.757 7.794 ( 13.400 9.762 -6.066) 17.654 7.794 ( 13.400 9.762 6.066) 17.654 8.179 ( 8.470 10.545 -1.897) 13.658 8.179 ( 8.470 10.545 1.897) 13.658 8.946 ( -0.381 1.175 -8.360) 8.451 8.946 ( -0.381 1.175 8.360) 8.451 9.137 ( 2.359 -4.871 -19.935) 20.657 9.137 ( 2.359 -4.871 19.935) 20.657 9.710 ( 0.014 -3.387 -10.740) 11.261 9.710 ( 0.014 -3.387 10.740) 11.261 10.129 ( 5.787 -2.808 -10.630) 12.425 10.129 ( 5.787 -2.808 10.630) 12.425 10.631 ( 4.373 9.497 -19.769) 22.364 10.631 ( 4.373 9.497 19.769) 22.364 11.366 ( -6.425 2.925 -12.132) 14.036 11.366 ( -6.425 2.925 12.132) 14.036 11.633 ( -3.185 -6.113 -5.284) 8.685 11.633 ( -3.185 -6.113 5.284) 8.685 12.505 ( -15.934 -7.849 -6.294) 18.844 12.505 ( -15.934 -7.849 6.294) 18.844 13.009 ( 0.472 0.864 -7.296) 7.362 13.009 ( 0.472 0.864 7.296) 7.362 13.396 ( -4.488 2.720 -9.528) 10.877 13.396 ( -4.488 2.720 9.528) 10.877 13.692 ( 3.938 7.526 -3.638) 9.240 13.692 ( 3.938 7.526 3.638) 9.240 14.004 ( -7.100 10.575 -8.123) 15.107 14.004 ( -7.100 10.575 8.123) 15.107 14.628 ( 12.868 -8.804 -12.469) 19.964 14.628 ( 12.868 -8.804 12.469) 19.964 15.563 ( -2.793 12.653 -12.424) 17.952 15.563 ( -2.793 12.653 12.424) 17.952 15.712 ( 3.412 -0.247 -7.724) 8.448 15.712 ( 3.412 -0.247 7.724) 8.448 16.907 ( 13.192 -4.472 -15.629) 20.936 16.907 ( 13.192 -4.472 15.629) 20.936 17.518 ( 17.046 5.460 -17.686) 25.163 17.518 ( 17.046 5.460 17.686) 25.163 18.067 ( -0.434 -10.298 -10.407) 14.648 18.067 ( -0.434 -10.298 10.407) 14.648 18.318 ( 3.331 -12.069 -9.715) 15.847 18.318 ( 3.331 -12.069 9.715) 15.847 18.959 ( 8.968 -12.318 -0.530) 15.246 18.959 ( 8.968 -12.318 0.530) 15.246 21.236 ( -16.258 9.970 -5.833) 19.943 21.236 ( -16.258 9.970 5.833) 19.943 21.385 ( -10.864 3.763 -3.233) 11.944 21.385 ( -10.864 3.763 3.233) 11.944 ======================= Grid point 357 (114/120) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.279 ( -1.862 9.026 -8.925) 12.829 3.279 ( -1.862 9.026 8.925) 12.829 3.907 ( -1.336 -4.413 -4.612) 6.522 3.907 ( -1.336 -4.413 4.612) 6.522 4.248 ( -3.658 -3.783 -15.818) 16.670 4.248 ( -3.658 -3.783 15.818) 16.670 4.454 ( -7.614 -7.360 -7.640) 13.058 4.454 ( -7.614 -7.360 7.640) 13.058 4.865 ( 5.530 4.519 -1.976) 7.410 4.865 ( 5.530 4.519 1.976) 7.410 5.527 ( 1.335 -11.745 -2.634) 12.111 5.527 ( 1.335 -11.745 2.634) 12.111 8.044 ( 8.610 19.619 -5.709) 22.173 8.044 ( 8.610 19.619 5.709) 22.173 8.346 ( 8.190 11.619 -12.209) 18.738 8.346 ( 8.190 11.619 12.209) 18.738 8.867 ( -5.465 5.288 -4.592) 8.884 8.867 ( -5.465 5.288 4.592) 8.884 9.251 ( 6.379 -11.703 -12.156) 18.040 9.251 ( 6.379 -11.703 12.156) 18.040 9.730 ( 1.125 -12.828 -10.732) 16.763 9.730 ( 1.125 -12.828 10.732) 16.763 10.123 ( -3.248 -11.983 -8.807) 15.221 10.123 ( -3.248 -11.983 8.807) 15.221 10.828 ( 10.720 13.691 -6.738) 18.649 10.828 ( 10.720 13.691 6.738) 18.649 11.263 ( -2.357 11.155 -13.230) 17.465 11.263 ( -2.357 11.155 13.230) 17.465 11.560 ( -3.471 -7.194 -7.255) 10.791 11.560 ( -3.471 -7.194 7.255) 10.791 12.231 ( -10.027 -10.984 -6.978) 16.429 12.231 ( -10.027 -10.984 6.978) 16.429 13.019 ( 0.211 3.098 -5.801) 6.580 13.019 ( 0.211 3.098 5.801) 6.580 13.243 ( -8.851 2.587 -2.477) 9.548 13.243 ( -8.851 2.587 2.477) 9.548 13.676 ( -3.640 5.523 -2.833) 7.196 13.676 ( -3.640 5.523 2.833) 7.196 13.972 ( 2.815 21.773 -4.645) 22.440 13.972 ( 2.815 21.773 4.645) 22.440 14.939 ( 14.786 -13.370 -10.246) 22.413 14.939 ( 14.786 -13.370 10.246) 22.413 15.382 ( -8.624 22.728 -11.986) 27.104 15.382 ( -8.624 22.728 11.986) 27.104 15.883 ( 7.135 -17.879 -0.318) 19.253 15.883 ( 7.135 -17.879 0.318) 19.253 17.159 ( 10.183 -11.113 -10.396) 18.310 17.159 ( 10.183 -11.113 10.396) 18.310 17.857 ( 12.108 10.640 -16.200) 22.853 17.857 ( 12.108 10.640 16.200) 22.853 18.057 ( 2.613 -4.687 -6.340) 8.306 18.057 ( 2.613 -4.687 6.340) 8.306 18.399 ( 3.774 -13.298 -6.286) 15.185 18.399 ( 3.774 -13.298 6.286) 15.185 19.146 ( 8.025 -15.090 -1.300) 17.141 19.146 ( 8.025 -15.090 1.300) 17.141 20.882 ( -16.368 14.100 -4.009) 21.972 20.882 ( -16.368 14.100 4.009) 21.972 21.148 ( -10.944 3.449 -3.191) 11.910 21.148 ( -10.944 3.449 3.191) 11.910 ======================= Grid point 359 (115/120) ======================= q-point: ( 0.44 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.251 ( -0.689 12.625 -3.993) 13.260 3.251 ( -0.689 12.625 3.993) 13.260 3.870 ( -1.372 -3.886 -2.824) 4.996 3.870 ( -1.372 -3.886 2.824) 4.996 4.223 ( 1.358 -6.409 -10.380) 12.275 4.223 ( 1.358 -6.409 10.380) 12.275 4.307 ( -5.881 -6.072 -6.218) 10.494 4.307 ( -5.881 -6.072 6.218) 10.494 4.970 ( 3.348 6.211 -1.613) 7.238 4.970 ( 3.348 6.211 1.613) 7.238 5.547 ( 0.461 -15.420 -1.209) 15.474 5.547 ( 0.461 -15.420 1.209) 15.474 8.140 ( 1.722 26.098 -2.323) 26.257 8.140 ( 1.722 26.098 2.323) 26.257 8.477 ( 2.692 12.221 -12.627) 17.778 8.477 ( 2.692 12.221 12.627) 17.778 8.798 ( -0.494 4.978 -5.540) 7.464 8.798 ( -0.494 4.978 5.540) 7.464 9.351 ( 2.750 -14.713 -4.806) 15.720 9.351 ( 2.750 -14.713 4.806) 15.720 9.716 ( -1.842 -16.248 -6.329) 17.534 9.716 ( -1.842 -16.248 6.329) 17.534 10.094 ( 0.282 -16.249 -2.392) 16.426 10.094 ( 0.282 -16.249 2.392) 16.426 10.932 ( 0.159 12.914 -2.968) 13.251 10.932 ( 0.159 12.914 2.968) 13.251 11.336 ( 7.669 11.686 -16.579) 21.685 11.336 ( 7.669 11.686 16.579) 21.685 11.483 ( -4.401 -2.200 -11.328) 12.350 11.483 ( -4.401 -2.200 11.328) 12.350 12.083 ( -3.986 -11.290 -3.957) 12.610 12.083 ( -3.986 -11.290 3.957) 12.610 13.021 ( 0.397 2.195 -2.899) 3.658 13.021 ( 0.397 2.195 2.899) 3.658 13.087 ( -5.017 0.398 -2.267) 5.520 13.087 ( -5.017 0.398 2.267) 5.520 13.620 ( -1.359 10.969 -1.827) 11.203 13.620 ( -1.359 10.969 1.827) 11.203 14.031 ( 1.860 21.748 -2.734) 21.998 14.031 ( 1.860 21.748 2.734) 21.998 15.163 ( 4.618 14.566 -3.202) 15.613 15.163 ( 4.618 14.566 3.202) 15.613 15.265 ( -1.440 -5.416 -3.333) 6.520 15.265 ( -1.440 -5.416 3.333) 6.520 15.977 ( 2.012 -22.582 -0.978) 22.692 15.977 ( 2.012 -22.582 0.978) 22.692 17.303 ( 3.351 -17.528 -3.625) 18.210 17.303 ( 3.351 -17.528 3.625) 18.210 17.932 ( -0.026 18.189 -4.256) 18.680 17.932 ( -0.026 18.189 4.256) 18.680 18.244 ( 9.024 -9.143 -6.000) 14.178 18.244 ( 9.024 -9.143 6.000) 14.178 18.441 ( -0.190 -9.342 -2.089) 9.574 18.441 ( -0.190 -9.342 2.090) 9.574 19.266 ( 3.077 -17.033 -1.221) 17.352 19.266 ( 3.077 -17.033 1.221) 17.352 20.617 ( -7.408 17.985 -1.602) 19.517 20.617 ( -7.408 17.985 1.602) 19.517 20.972 ( -4.869 3.422 -1.460) 6.128 20.972 ( -4.869 3.422 1.460) 6.128 ======================= Grid point 369 (116/120) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.367 ( 0.000 1.318 -3.435) 3.679 3.367 ( 0.000 1.318 3.435) 3.679 4.045 ( 0.000 -0.137 -9.021) 9.023 4.045 ( 0.000 -0.137 9.021) 9.023 4.098 ( 0.000 -2.464 -2.981) 3.867 4.098 ( 0.000 -2.464 2.981) 3.867 4.699 ( 0.000 10.498 -7.946) 13.166 4.699 ( 0.000 10.498 7.946) 13.166 4.909 ( 0.000 -9.187 -5.414) 10.664 4.909 ( 0.000 -9.187 5.414) 10.664 5.339 ( 0.000 -5.698 -3.728) 6.809 5.339 ( 0.000 -5.698 3.728) 6.809 7.521 ( 0.000 1.487 -2.299) 2.738 7.521 ( 0.000 1.487 2.299) 2.738 7.909 ( 0.000 0.194 -0.445) 0.486 7.909 ( 0.000 0.194 0.445) 0.486 8.953 ( 0.000 2.663 -3.325) 4.260 8.953 ( 0.000 2.663 3.325) 4.260 9.181 ( 0.000 -2.486 -3.413) 4.222 9.181 ( 0.000 -2.486 3.413) 4.222 9.795 ( 0.000 7.103 -3.200) 7.791 9.795 ( 0.000 7.103 3.200) 7.791 9.897 ( 0.000 -1.163 -5.486) 5.608 9.897 ( 0.000 -1.163 5.486) 5.608 10.902 ( 0.000 16.688 -19.464) 25.639 10.902 ( 0.000 16.688 19.464) 25.639 11.304 ( 0.000 -17.034 -26.485) 31.490 11.304 ( 0.000 -17.034 26.485) 31.490 11.733 ( 0.000 0.977 -0.601) 1.147 11.733 ( 0.000 0.977 0.601) 1.147 12.862 ( 0.000 -5.811 -1.113) 5.917 12.862 ( 0.000 -5.811 1.113) 5.917 12.888 ( 0.000 -4.511 -2.594) 5.203 12.888 ( 0.000 -4.511 2.594) 5.203 13.309 ( 0.000 0.591 -0.292) 0.659 13.309 ( 0.000 0.591 0.292) 0.659 13.695 ( 0.000 6.118 -2.617) 6.654 13.695 ( 0.000 6.118 2.617) 6.654 14.290 ( 0.000 -0.800 -0.515) 0.952 14.290 ( 0.000 -0.800 0.515) 0.952 14.653 ( 0.000 11.512 -0.852) 11.543 14.653 ( 0.000 11.512 0.852) 11.543 15.120 ( 0.000 -7.279 -4.952) 8.803 15.120 ( 0.000 -7.279 4.952) 8.803 16.279 ( 0.000 1.490 -3.566) 3.865 16.279 ( 0.000 1.490 3.566) 3.865 16.689 ( 0.000 20.084 -1.913) 20.175 16.689 ( 0.000 20.084 1.913) 20.175 17.152 ( 0.000 1.077 -16.161) 16.197 17.152 ( 0.000 1.077 16.161) 16.197 17.484 ( 0.000 -23.778 -11.734) 26.516 17.484 ( 0.000 -23.778 11.734) 26.516 18.165 ( 0.000 -2.127 -3.876) 4.421 18.165 ( 0.000 -2.127 3.876) 4.421 18.643 ( 0.000 -3.637 -0.437) 3.664 18.643 ( 0.000 -3.637 0.437) 3.664 21.695 ( 0.000 2.233 -1.445) 2.660 21.695 ( 0.000 2.233 1.445) 2.660 21.718 ( 0.000 2.020 -2.554) 3.257 21.718 ( 0.000 2.020 2.554) 3.257 ======================= Grid point 371 (117/120) ======================= q-point: ( 0.11 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.389 ( 1.723 2.007 -3.418) 4.322 3.389 ( 1.723 2.007 3.418) 4.322 3.985 ( -3.879 1.968 -3.999) 5.909 3.985 ( -3.879 1.968 3.999) 5.909 4.138 ( 2.202 -6.094 -2.295) 6.874 4.138 ( 2.202 -6.094 2.295) 6.874 4.671 ( -4.186 5.529 -4.877) 8.478 4.671 ( -4.186 5.529 4.877) 8.478 4.875 ( -1.621 -3.868 -2.087) 4.684 4.875 ( -1.621 -3.868 2.087) 4.684 5.349 ( 0.786 -5.174 -3.263) 6.167 5.349 ( 0.786 -5.174 3.263) 6.167 7.625 ( 9.935 1.827 -1.981) 10.294 7.625 ( 9.935 1.827 1.981) 10.294 8.051 ( 12.781 1.661 -0.585) 12.902 8.051 ( 12.781 1.661 0.585) 12.902 8.964 ( 0.511 3.421 -6.420) 7.293 8.964 ( 0.511 3.421 6.420) 7.293 9.103 ( -5.105 -4.019 -7.739) 10.105 9.103 ( -5.105 -4.019 7.739) 10.105 9.782 ( -3.358 1.872 -1.872) 4.276 9.782 ( -3.358 1.872 1.872) 4.276 10.002 ( 8.778 2.769 -1.660) 9.352 10.002 ( 8.778 2.769 1.660) 9.352 10.845 ( -4.026 13.412 -16.616) 21.730 10.845 ( -4.026 13.412 16.616) 21.730 11.275 ( -1.645 -14.354 -19.450) 24.230 11.275 ( -1.645 -14.354 19.450) 24.230 11.694 ( -3.522 1.065 -0.792) 3.763 11.694 ( -3.522 1.065 0.792) 3.763 12.746 ( -13.634 -3.289 -2.858) 14.314 12.746 ( -13.634 -3.289 2.858) 14.314 12.970 ( 8.034 -0.864 -2.688) 8.515 12.970 ( 8.034 -0.864 2.688) 8.515 13.264 ( -0.545 -4.292 -2.395) 4.946 13.264 ( -0.545 -4.292 2.395) 4.946 13.806 ( 7.645 6.896 -2.167) 10.521 13.806 ( 7.645 6.896 2.167) 10.521 14.155 ( -10.145 -2.115 -3.308) 10.879 14.155 ( -10.145 -2.115 3.308) 10.879 14.672 ( 1.796 13.979 -2.463) 14.308 14.672 ( 1.796 13.979 2.463) 14.308 15.207 ( 6.648 -11.137 -3.788) 13.513 15.207 ( 6.648 -11.137 3.788) 13.513 16.199 ( -6.446 8.770 -9.383) 14.370 16.199 ( -6.446 8.770 9.383) 14.370 16.728 ( 2.917 8.616 -9.329) 13.030 16.728 ( 2.917 8.616 9.329) 13.030 17.270 ( 10.745 0.518 -16.790) 19.941 17.270 ( 10.745 0.518 16.790) 19.941 17.577 ( 8.411 -18.458 -12.251) 23.697 17.577 ( 8.411 -18.458 12.251) 23.697 18.227 ( 5.399 0.277 -4.963) 7.339 18.227 ( 5.399 0.277 4.963) 7.339 18.651 ( 1.014 -5.506 -1.085) 5.703 18.651 ( 1.014 -5.506 1.085) 5.703 21.615 ( -7.728 2.856 -2.638) 8.651 21.615 ( -7.728 2.856 2.638) 8.651 21.634 ( -7.501 1.703 -0.787) 7.732 21.634 ( -7.501 1.703 0.787) 7.732 ======================= Grid point 373 (118/120) ======================= q-point: ( 0.22 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.419 ( 0.985 3.751 -3.779) 5.414 3.419 ( 0.985 3.751 3.779) 5.414 3.907 ( -3.507 0.072 -1.528) 3.826 3.907 ( -3.507 0.072 1.528) 3.826 4.188 ( 2.685 -4.985 -5.807) 8.111 4.188 ( 2.685 -4.985 5.807) 8.111 4.498 ( -11.087 -3.416 -2.737) 11.919 4.498 ( -11.087 -3.416 2.737) 11.919 4.880 ( 1.467 3.027 -1.717) 3.777 4.880 ( 1.467 3.027 1.717) 3.777 5.367 ( 0.788 -4.087 -2.101) 4.662 5.367 ( 0.788 -4.087 2.101) 4.662 7.922 ( 17.835 3.354 -1.168) 18.185 7.922 ( 17.835 3.354 1.168) 18.185 8.377 ( 16.343 7.407 -2.738) 18.151 8.377 ( 16.343 7.407 2.738) 18.151 8.955 ( -0.600 0.307 -7.283) 7.314 8.955 ( -0.600 0.307 7.283) 7.314 9.032 ( -2.207 -4.918 -13.843) 14.855 9.032 ( -2.207 -4.918 13.843) 14.855 9.679 ( -5.873 -0.046 -4.212) 7.228 9.679 ( -5.873 -0.046 4.212) 7.228 10.070 ( -4.940 -2.328 -4.624) 7.156 10.070 ( -4.940 -2.328 4.624) 7.156 10.869 ( 8.522 12.496 -12.702) 19.752 10.869 ( 8.522 12.496 12.702) 19.752 11.267 ( 0.964 -10.537 -11.443) 15.585 11.267 ( 0.964 -10.537 11.443) 15.585 11.600 ( -5.064 1.441 -2.699) 5.917 11.600 ( -5.064 1.441 2.699) 5.917 12.382 ( -18.714 -3.843 -2.767) 19.304 12.382 ( -18.714 -3.843 2.767) 19.304 13.105 ( 3.430 8.383 -5.602) 10.650 13.105 ( 3.430 8.383 5.602) 10.650 13.297 ( 0.949 -9.611 -5.661) 11.195 13.297 ( 0.949 -9.611 5.661) 11.195 13.864 ( -3.588 8.903 -4.863) 10.760 13.864 ( -3.588 8.903 4.863) 10.760 14.069 ( 5.550 -5.728 -3.614) 8.756 14.069 ( 5.550 -5.728 3.614) 8.756 14.736 ( 4.604 17.858 -4.172) 18.908 14.736 ( 4.604 17.858 4.172) 18.908 15.335 ( 4.848 -19.284 -0.675) 19.895 15.335 ( 4.848 -19.284 0.675) 19.895 16.057 ( -6.337 17.838 -10.065) 21.440 16.057 ( -6.337 17.838 10.065) 21.440 16.784 ( 1.902 -7.938 -9.346) 12.409 16.784 ( 1.902 -7.938 9.346) 12.409 17.557 ( 15.629 -1.042 -14.186) 21.133 17.557 ( 15.629 -1.042 14.186) 21.133 17.805 ( 12.624 -8.300 -10.589) 18.449 17.805 ( 12.624 -8.300 10.589) 18.449 18.351 ( 5.565 8.302 -5.543) 11.428 18.351 ( 5.565 8.302 5.543) 11.428 18.701 ( 4.012 -12.357 -1.663) 13.097 18.701 ( 4.012 -12.357 1.663) 13.097 21.385 ( -13.446 5.058 -2.729) 14.623 21.385 ( -13.446 5.058 2.729) 14.623 21.429 ( -11.655 0.367 -1.082) 11.711 21.429 ( -11.655 0.367 1.082) 11.711 ======================= Grid point 375 (119/120) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.445 ( 2.049 6.329 -3.921) 7.722 3.445 ( 2.049 6.329 3.921) 7.722 3.839 ( -3.034 -2.465 -2.554) 4.669 3.839 ( -3.034 -2.465 2.554) 4.669 4.201 ( -3.801 0.414 -16.596) 17.031 4.201 ( -3.801 0.414 16.596) 17.031 4.290 ( -6.346 -8.037 -12.108) 15.858 4.290 ( -6.346 -8.037 12.108) 15.858 4.940 ( 5.039 2.508 -1.044) 5.725 4.940 ( 5.039 2.508 1.044) 5.725 5.369 ( -1.026 -4.258 -1.424) 4.605 5.369 ( -1.026 -4.258 1.424) 4.605 8.323 ( 19.039 7.477 -0.810) 20.471 8.323 ( 19.039 7.477 0.810) 20.471 8.636 ( 7.233 16.725 -11.087) 21.330 8.636 ( 7.233 16.725 11.087) 21.330 8.948 ( -3.436 -1.499 -8.915) 9.671 8.948 ( -3.436 -1.499 8.915) 9.671 9.020 ( 4.631 -8.856 -8.774) 13.299 9.020 ( 4.631 -8.856 8.774) 13.299 9.554 ( -5.888 -3.477 -3.668) 7.760 9.554 ( -5.888 -3.477 3.668) 7.760 9.877 ( -10.574 -10.502 -5.476) 15.877 9.877 ( -10.574 -10.502 5.476) 15.877 11.095 ( 8.760 13.003 -4.156) 16.220 11.095 ( 8.760 13.003 4.156) 16.220 11.315 ( 3.281 -8.065 -5.144) 10.113 11.315 ( 3.281 -8.065 5.144) 10.113 11.521 ( -0.603 4.289 -2.348) 4.927 11.521 ( -0.603 4.289 2.348) 4.927 12.046 ( -12.320 -6.510 -4.482) 14.638 12.046 ( -12.320 -6.510 4.482) 14.638 13.108 ( -2.537 5.729 -4.971) 7.998 13.108 ( -2.537 5.729 4.971) 7.998 13.216 ( -7.457 -4.440 -4.537) 9.793 13.216 ( -7.457 -4.440 4.537) 9.793 13.867 ( 3.863 11.913 -5.821) 13.810 13.867 ( 3.863 11.913 5.821) 13.810 14.211 ( 6.020 -4.021 -6.187) 9.523 14.211 ( 6.020 -4.021 6.187) 9.523 14.860 ( 6.532 15.050 -5.698) 17.368 14.860 ( 6.532 15.050 5.698) 17.368 15.402 ( 1.713 -25.417 -3.189) 25.674 15.402 ( 1.713 -25.417 3.189) 25.674 15.962 ( -2.237 26.458 -7.737) 27.657 15.962 ( -2.237 26.458 7.737) 27.657 16.788 ( -1.692 -23.036 -6.166) 23.907 16.788 ( -1.692 -23.036 6.166) 23.907 17.881 ( 14.615 -0.492 -8.191) 16.761 17.881 ( 14.615 -0.492 8.191) 16.761 18.072 ( 12.185 -1.703 -7.388) 14.351 18.072 ( 12.185 -1.703 7.388) 14.351 18.436 ( 2.513 15.873 -1.818) 16.173 18.436 ( 2.513 15.873 1.818) 16.173 18.806 ( 5.264 -19.091 -0.366) 19.807 18.806 ( 5.264 -19.091 0.366) 19.807 21.096 ( -13.201 7.566 -1.676) 15.308 21.096 ( -13.201 7.566 1.676) 15.308 21.178 ( -11.532 -0.876 -1.557) 11.670 21.178 ( -11.532 -0.876 1.557) 11.670 ======================= Grid point 377 (120/120) ======================= q-point: ( 0.44 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.505 ( 2.884 11.886 -2.227) 12.432 3.505 ( 2.884 11.886 2.227) 12.432 3.771 ( -3.122 -6.460 -1.321) 7.295 3.771 ( -3.122 -6.460 1.321) 7.295 4.123 ( -0.327 -3.139 -7.045) 7.720 4.123 ( -0.327 -3.139 7.045) 7.720 4.189 ( -4.846 -4.420 -4.905) 8.190 4.189 ( -4.846 -4.420 4.905) 8.190 5.081 ( 6.657 4.726 -1.257) 8.260 5.081 ( 6.657 4.726 1.257) 8.260 5.315 ( -3.629 -7.808 -1.188) 8.692 5.315 ( -3.629 -7.808 1.188) 8.692 8.616 ( 6.282 19.249 -3.251) 20.508 8.616 ( 6.282 19.249 3.251) 20.508 8.729 ( 2.323 11.866 -9.795) 15.561 8.729 ( 2.323 11.866 9.795) 15.561 8.903 ( 2.561 2.293 -1.501) 3.751 8.903 ( 2.561 2.293 1.501) 3.751 9.096 ( -0.563 -9.233 -5.552) 10.788 9.096 ( -0.563 -9.233 5.552) 10.788 9.457 ( -2.277 -6.299 -3.402) 7.513 9.457 ( -2.277 -6.299 3.402) 7.513 9.702 ( -5.131 -20.280 -3.145) 21.154 9.702 ( -5.131 -20.280 3.145) 21.154 11.170 ( 0.334 11.053 -2.460) 11.329 11.170 ( 0.334 11.053 2.460) 11.329 11.349 ( 0.227 -6.691 -2.067) 7.007 11.349 ( 0.227 -6.691 2.067) 7.007 11.612 ( 5.772 10.203 -3.102) 12.126 11.612 ( 5.772 10.203 3.102) 12.126 11.878 ( -4.226 -9.249 -4.382) 11.073 11.878 ( -4.226 -9.249 4.382) 11.073 13.045 ( -1.830 1.106 -2.181) 3.054 13.045 ( -1.830 1.106 2.181) 3.054 13.077 ( -4.748 -1.216 -2.082) 5.325 13.077 ( -4.748 -1.216 2.082) 5.325 13.946 ( 2.424 20.327 -2.809) 20.663 13.946 ( 2.424 20.327 2.809) 20.663 14.297 ( 2.074 -4.969 -3.375) 6.354 14.297 ( 2.074 -4.969 3.375) 6.354 14.968 ( 2.984 8.889 -2.852) 9.800 14.968 ( 2.984 8.889 2.852) 9.800 15.416 ( 0.027 -26.274 -2.089) 26.357 15.416 ( 0.027 -26.274 2.089) 26.357 15.960 ( 1.043 35.181 -3.199) 35.341 15.960 ( 1.043 35.181 3.199) 35.341 16.734 ( -2.334 -35.599 -2.329) 35.751 16.734 ( -2.334 -35.599 2.329) 35.751 18.124 ( 7.299 3.975 -3.436) 8.993 18.124 ( 7.299 3.975 3.436) 8.993 18.265 ( 5.024 -4.673 -6.433) 9.405 18.265 ( 5.024 -4.673 6.433) 9.405 18.461 ( 0.215 20.324 -2.215) 20.446 18.461 ( 0.215 20.324 2.215) 20.446 18.887 ( 2.076 -21.504 -0.788) 21.618 18.887 ( 2.076 -21.504 0.788) 21.618 20.886 ( -5.752 9.582 -0.624) 11.194 20.886 ( -5.752 9.582 0.624) 11.194 20.994 ( -5.065 -1.769 -0.813) 5.427 20.994 ( -5.065 -1.769 0.813) 5.427 =================== 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 3/37800 10.0 25032.966 46286.574 28914.134 0.000 0.000 0.000 3/37800 20.0 4190.432 5989.807 4369.710 0.000 0.000 0.000 3/37800 30.0 1020.038 1523.063 1171.651 0.000 0.000 0.000 3/37800 40.0 432.036 650.681 514.720 0.000 0.000 0.000 3/37800 50.0 231.142 348.006 280.480 0.000 0.000 0.000 3/37800 60.0 142.813 214.702 174.868 0.000 0.000 0.000 3/37800 70.0 97.212 145.863 119.514 0.000 0.000 0.000 3/37800 80.0 70.851 106.010 87.208 0.000 0.000 0.000 3/37800 90.0 54.311 80.944 66.815 0.000 0.000 0.000 3/37800 100.0 43.279 64.181 53.162 0.000 0.000 0.000 3/37800 110.0 35.563 52.435 43.593 0.000 0.000 0.000 3/37800 120.0 29.959 43.895 36.637 0.000 0.000 0.000 3/37800 130.0 25.759 37.499 31.424 0.000 0.000 0.000 3/37800 140.0 22.528 32.586 27.415 0.000 0.000 0.000 3/37800 150.0 19.985 28.730 24.264 0.000 0.000 0.000 3/37800 160.0 17.945 25.646 21.738 0.000 0.000 0.000 3/37800 170.0 16.279 23.138 19.679 0.000 0.000 0.000 3/37800 180.0 14.898 21.068 17.974 0.000 0.000 0.000 3/37800 190.0 13.738 19.336 16.543 0.000 0.000 0.000 3/37800 200.0 12.750 17.869 15.328 0.000 0.000 0.000 3/37800 210.0 11.900 16.614 14.285 0.000 0.000 0.000 3/37800 220.0 11.162 15.528 13.379 0.000 0.000 0.000 3/37800 230.0 10.515 14.581 12.587 0.000 0.000 0.000 3/37800 240.0 9.943 13.748 11.888 0.000 0.000 0.000 3/37800 250.0 9.434 13.010 11.267 0.000 0.000 0.000 3/37800 260.0 8.978 12.351 10.711 0.000 0.000 0.000 3/37800 270.0 8.567 11.760 10.211 0.000 0.000 0.000 3/37800 280.0 8.194 11.226 9.758 0.000 0.000 0.000 3/37800 290.0 7.854 10.741 9.346 0.000 0.000 0.000 3/37800 300.0 7.544 10.299 8.970 0.000 0.000 0.000 3/37800 310.0 7.258 9.895 8.625 0.000 0.000 0.000 3/37800 320.0 6.995 9.523 8.306 0.000 0.000 0.000 3/37800 330.0 6.751 9.179 8.012 0.000 0.000 0.000 3/37800 340.0 6.525 8.861 7.740 0.000 0.000 0.000 3/37800 350.0 6.314 8.566 7.486 0.000 0.000 0.000 3/37800 360.0 6.117 8.291 7.249 0.000 0.000 0.000 3/37800 370.0 5.933 8.034 7.028 0.000 0.000 0.000 3/37800 380.0 5.760 7.793 6.820 0.000 0.000 0.000 3/37800 390.0 5.598 7.567 6.625 0.000 0.000 0.000 3/37800 400.0 5.444 7.355 6.441 0.000 0.000 0.000 3/37800 410.0 5.300 7.155 6.268 0.000 0.000 0.000 3/37800 420.0 5.163 6.965 6.104 0.000 0.000 0.000 3/37800 430.0 5.033 6.787 5.949 0.000 0.000 0.000 3/37800 440.0 4.910 6.617 5.802 0.000 0.000 0.000 3/37800 450.0 4.793 6.456 5.662 0.000 0.000 0.000 3/37800 460.0 4.682 6.303 5.529 0.000 0.000 0.000 3/37800 470.0 4.576 6.158 5.403 0.000 0.000 0.000 3/37800 480.0 4.474 6.019 5.282 0.000 0.000 0.000 3/37800 490.0 4.378 5.887 5.167 0.000 0.000 0.000 3/37800 500.0 4.285 5.760 5.057 0.000 0.000 0.000 3/37800 510.0 4.197 5.639 4.951 0.000 0.000 0.000 3/37800 520.0 4.112 5.523 4.850 0.000 0.000 0.000 3/37800 530.0 4.030 5.412 4.753 0.000 0.000 0.000 3/37800 540.0 3.952 5.306 4.661 0.000 0.000 0.000 3/37800 550.0 3.877 5.204 4.571 0.000 0.000 0.000 3/37800 560.0 3.805 5.105 4.486 0.000 0.000 0.000 3/37800 570.0 3.735 5.011 4.403 0.000 0.000 0.000 3/37800 580.0 3.669 4.920 4.323 0.000 0.000 0.000 3/37800 590.0 3.604 4.832 4.247 0.000 0.000 0.000 3/37800 600.0 3.542 4.748 4.173 0.000 0.000 0.000 3/37800 610.0 3.482 4.666 4.102 0.000 0.000 0.000 3/37800 620.0 3.423 4.588 4.033 0.000 0.000 0.000 3/37800 630.0 3.367 4.512 3.966 0.000 0.000 0.000 3/37800 640.0 3.313 4.438 3.902 0.000 0.000 0.000 3/37800 650.0 3.261 4.367 3.840 0.000 0.000 0.000 3/37800 660.0 3.210 4.298 3.780 0.000 0.000 0.000 3/37800 670.0 3.160 4.232 3.721 0.000 0.000 0.000 3/37800 680.0 3.113 4.167 3.665 0.000 0.000 0.000 3/37800 690.0 3.066 4.104 3.610 0.000 0.000 0.000 3/37800 700.0 3.021 4.044 3.557 0.000 0.000 0.000 3/37800 710.0 2.978 3.985 3.505 0.000 0.000 0.000 3/37800 720.0 2.935 3.928 3.455 0.000 0.000 0.000 3/37800 730.0 2.894 3.872 3.406 0.000 0.000 0.000 3/37800 740.0 2.854 3.818 3.359 0.000 0.000 0.000 3/37800 750.0 2.815 3.766 3.313 0.000 0.000 0.000 3/37800 760.0 2.778 3.715 3.268 0.000 0.000 0.000 3/37800 770.0 2.741 3.665 3.225 0.000 0.000 0.000 3/37800 780.0 2.705 3.617 3.182 0.000 0.000 0.000 3/37800 790.0 2.670 3.570 3.141 0.000 0.000 0.000 3/37800 800.0 2.636 3.524 3.101 0.000 0.000 0.000 3/37800 810.0 2.603 3.480 3.062 0.000 0.000 0.000 3/37800 820.0 2.570 3.436 3.024 0.000 0.000 0.000 3/37800 830.0 2.539 3.394 2.986 0.000 0.000 0.000 3/37800 840.0 2.508 3.352 2.950 0.000 0.000 0.000 3/37800 850.0 2.478 3.312 2.915 0.000 0.000 0.000 3/37800 860.0 2.449 3.273 2.880 0.000 0.000 0.000 3/37800 870.0 2.420 3.234 2.846 0.000 0.000 0.000 3/37800 880.0 2.392 3.197 2.813 0.000 0.000 0.000 3/37800 890.0 2.365 3.160 2.781 0.000 0.000 0.000 3/37800 900.0 2.338 3.124 2.750 0.000 0.000 0.000 3/37800 910.0 2.312 3.089 2.719 0.000 0.000 0.000 3/37800 920.0 2.287 3.055 2.689 0.000 0.000 0.000 3/37800 930.0 2.262 3.021 2.660 0.000 0.000 0.000 3/37800 940.0 2.238 2.989 2.631 0.000 0.000 0.000 3/37800 950.0 2.214 2.957 2.603 0.000 0.000 0.000 3/37800 960.0 2.190 2.925 2.575 0.000 0.000 0.000 3/37800 970.0 2.167 2.895 2.548 0.000 0.000 0.000 3/37800 980.0 2.145 2.865 2.522 0.000 0.000 0.000 3/37800 990.0 2.123 2.835 2.496 0.000 0.000 0.000 3/37800 1000.0 2.102 2.806 2.471 0.000 0.000 0.000 3/37800 Thermal conductivity related properties were written into "kappa-m9710.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:50:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|