----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:43:33]------------------------- 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: [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.032484720000000 -5.565245900000000 0.000000000000000 b 2.032484720000000 5.565245900000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.756372699999998 Atomic positions (fractional): *1 Y 0.86059001973762 0.13940998026238 0.56593702902205 88.906 2 Y 0.86059001973762 0.13940998026238 0.93406297097795 88.906 3 Y 0.13940998026238 0.86059001973762 0.06593702902205 88.906 4 Y 0.13940998026238 0.86059001973762 0.43406297097795 88.906 *5 Hf 0.82248138986524 0.17751861013476 0.25000000000000 178.490 6 Hf 0.17751861013476 0.82248138986524 0.75000000000000 178.490 *7 O 0.95145692256108 0.04854307743892 0.11908923528955 15.999 *8 O 0.70941919267776 0.29058080732224 0.41251605642912 15.999 9 O 0.95145692256108 0.04854307743892 0.38091076471045 15.999 10 O 0.70941919267776 0.29058080732224 0.08748394357088 15.999 *11 O 0.73473626624697 0.26526373375303 0.75000000000000 15.999 12 O 0.04854307743892 0.95145692256108 0.61908923528955 15.999 13 O 0.26526373375303 0.73473626624697 0.25000000000000 15.999 14 O 0.29058080732224 0.70941919267776 0.58748394357088 15.999 15 O 0.04854307743892 0.95145692256108 0.88091076471045 15.999 16 O 0.29058080732224 0.70941919267776 0.91251605642912 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.064969440000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.130491800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.756372699999998 Atomic positions (fractional): *1 Y 0.00000000000000 0.13940998026238 0.56593702902205 88.906 > 1 2 Y 0.00000000000000 0.13940998026238 0.93406297097795 88.906 > 2 3 Y 0.50000000000000 0.36059001973762 0.06593702902205 88.906 > 3 4 Y 0.50000000000000 0.36059001973762 0.43406297097795 88.906 > 4 5 Y 0.50000000000000 0.63940998026238 0.56593702902205 88.906 > 1 6 Y 0.50000000000000 0.63940998026238 0.93406297097795 88.906 > 2 7 Y 0.00000000000000 0.86059001973762 0.06593702902205 88.906 > 3 8 Y 0.00000000000000 0.86059001973762 0.43406297097795 88.906 > 4 *9 Hf 0.00000000000000 0.17751861013476 0.25000000000000 178.490 > 5 10 Hf 0.50000000000000 0.32248138986524 0.75000000000000 178.490 > 6 11 Hf 0.50000000000000 0.67751861013476 0.25000000000000 178.490 > 5 12 Hf 0.00000000000000 0.82248138986524 0.75000000000000 178.490 > 6 *13 O 0.00000000000000 0.04854307743892 0.11908923528955 15.999 > 7 *14 O 0.00000000000000 0.29058080732224 0.41251605642912 15.999 > 8 15 O 0.00000000000000 0.04854307743892 0.38091076471045 15.999 > 9 16 O 0.00000000000000 0.29058080732224 0.08748394357088 15.999 > 10 *17 O 0.00000000000000 0.26526373375303 0.75000000000000 15.999 > 11 18 O 0.50000000000000 0.45145692256108 0.61908923528955 15.999 > 12 19 O 0.50000000000000 0.23473626624697 0.25000000000000 15.999 > 13 20 O 0.50000000000000 0.20941919267776 0.58748394357088 15.999 > 14 21 O 0.50000000000000 0.45145692256108 0.88091076471045 15.999 > 15 22 O 0.50000000000000 0.20941919267776 0.91251605642912 15.999 > 16 23 O 0.50000000000000 0.54854307743892 0.11908923528955 15.999 > 7 24 O 0.50000000000000 0.79058080732224 0.41251605642912 15.999 > 8 25 O 0.50000000000000 0.54854307743892 0.38091076471045 15.999 > 9 26 O 0.50000000000000 0.79058080732224 0.08748394357088 15.999 > 10 27 O 0.50000000000000 0.76526373375303 0.75000000000000 15.999 > 11 28 O 0.00000000000000 0.95145692256108 0.61908923528955 15.999 > 12 29 O 0.00000000000000 0.73473626624697 0.25000000000000 15.999 > 13 30 O 0.00000000000000 0.70941919267776 0.58748394357088 15.999 > 14 31 O 0.00000000000000 0.95145692256108 0.88091076471045 15.999 > 15 32 O 0.00000000000000 0.70941919267776 0.91251605642912 15.999 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.194908320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.130491800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.756372699999998 Atomic positions (fractional): *1 Y 0.00000000000000 0.13940998026238 0.56593702902205 88.906 > 1 2 Y 0.33333333333333 0.13940998026238 0.56593702902205 88.906 > 1 3 Y 0.66666666666667 0.13940998026238 0.56593702902205 88.906 > 1 4 Y 0.00000000000000 0.13940998026238 0.93406297097795 88.906 > 2 5 Y 0.33333333333333 0.13940998026238 0.93406297097795 88.906 > 2 6 Y 0.66666666666667 0.13940998026238 0.93406297097795 88.906 > 2 7 Y 0.16666666666667 0.36059001973762 0.06593702902205 88.906 > 3 8 Y 0.50000000000000 0.36059001973762 0.06593702902205 88.906 > 3 9 Y 0.83333333333333 0.36059001973762 0.06593702902205 88.906 > 3 10 Y 0.16666666666667 0.36059001973762 0.43406297097795 88.906 > 4 11 Y 0.50000000000000 0.36059001973762 0.43406297097795 88.906 > 4 12 Y 0.83333333333333 0.36059001973762 0.43406297097795 88.906 > 4 13 Y 0.16666666666667 0.63940998026238 0.56593702902205 88.906 > 1 14 Y 0.50000000000000 0.63940998026238 0.56593702902205 88.906 > 1 15 Y 0.83333333333333 0.63940998026238 0.56593702902205 88.906 > 1 16 Y 0.16666666666667 0.63940998026238 0.93406297097795 88.906 > 2 17 Y 0.50000000000000 0.63940998026238 0.93406297097795 88.906 > 2 18 Y 0.83333333333333 0.63940998026238 0.93406297097795 88.906 > 2 19 Y 0.00000000000000 0.86059001973762 0.06593702902205 88.906 > 3 20 Y 0.33333333333333 0.86059001973762 0.06593702902205 88.906 > 3 21 Y 0.66666666666667 0.86059001973762 0.06593702902205 88.906 > 3 22 Y 0.00000000000000 0.86059001973762 0.43406297097795 88.906 > 4 23 Y 0.33333333333333 0.86059001973762 0.43406297097795 88.906 > 4 24 Y 0.66666666666667 0.86059001973762 0.43406297097795 88.906 > 4 *25 Hf 0.00000000000000 0.17751861013476 0.25000000000000 178.490 > 5 26 Hf 0.33333333333333 0.17751861013476 0.25000000000000 178.490 > 5 27 Hf 0.66666666666667 0.17751861013476 0.25000000000000 178.490 > 5 28 Hf 0.16666666666667 0.32248138986524 0.75000000000000 178.490 > 6 29 Hf 0.50000000000000 0.32248138986524 0.75000000000000 178.490 > 6 30 Hf 0.83333333333333 0.32248138986524 0.75000000000000 178.490 > 6 31 Hf 0.16666666666667 0.67751861013476 0.25000000000000 178.490 > 5 32 Hf 0.50000000000000 0.67751861013476 0.25000000000000 178.490 > 5 33 Hf 0.83333333333333 0.67751861013476 0.25000000000000 178.490 > 5 34 Hf 0.00000000000000 0.82248138986524 0.75000000000000 178.490 > 6 35 Hf 0.33333333333333 0.82248138986524 0.75000000000000 178.490 > 6 36 Hf 0.66666666666667 0.82248138986524 0.75000000000000 178.490 > 6 *37 O 0.00000000000000 0.04854307743892 0.11908923528955 15.999 > 7 38 O 0.33333333333333 0.04854307743892 0.11908923528955 15.999 > 7 39 O 0.66666666666667 0.04854307743892 0.11908923528955 15.999 > 7 *40 O 0.00000000000000 0.29058080732224 0.41251605642912 15.999 > 8 41 O 0.33333333333333 0.29058080732224 0.41251605642912 15.999 > 8 42 O 0.66666666666667 0.29058080732224 0.41251605642912 15.999 > 8 43 O 0.00000000000000 0.04854307743892 0.38091076471045 15.999 > 9 44 O 0.33333333333333 0.04854307743892 0.38091076471045 15.999 > 9 45 O 0.66666666666667 0.04854307743892 0.38091076471045 15.999 > 9 46 O 0.00000000000000 0.29058080732224 0.08748394357088 15.999 > 10 47 O 0.33333333333333 0.29058080732224 0.08748394357088 15.999 > 10 48 O 0.66666666666667 0.29058080732224 0.08748394357088 15.999 > 10 *49 O 0.00000000000000 0.26526373375303 0.75000000000000 15.999 > 11 50 O 0.33333333333333 0.26526373375303 0.75000000000000 15.999 > 11 51 O 0.66666666666667 0.26526373375303 0.75000000000000 15.999 > 11 52 O 0.16666666666667 0.45145692256108 0.61908923528955 15.999 > 12 53 O 0.50000000000000 0.45145692256108 0.61908923528955 15.999 > 12 54 O 0.83333333333333 0.45145692256108 0.61908923528955 15.999 > 12 55 O 0.16666666666667 0.23473626624697 0.25000000000000 15.999 > 13 56 O 0.50000000000000 0.23473626624697 0.25000000000000 15.999 > 13 57 O 0.83333333333333 0.23473626624697 0.25000000000000 15.999 > 13 58 O 0.16666666666667 0.20941919267776 0.58748394357088 15.999 > 14 59 O 0.50000000000000 0.20941919267776 0.58748394357088 15.999 > 14 60 O 0.83333333333333 0.20941919267776 0.58748394357088 15.999 > 14 61 O 0.16666666666667 0.45145692256108 0.88091076471045 15.999 > 15 62 O 0.50000000000000 0.45145692256108 0.88091076471045 15.999 > 15 63 O 0.83333333333333 0.45145692256108 0.88091076471045 15.999 > 15 64 O 0.16666666666667 0.20941919267776 0.91251605642912 15.999 > 16 65 O 0.50000000000000 0.20941919267776 0.91251605642912 15.999 > 16 66 O 0.83333333333333 0.20941919267776 0.91251605642912 15.999 > 16 67 O 0.16666666666667 0.54854307743892 0.11908923528955 15.999 > 7 68 O 0.50000000000000 0.54854307743892 0.11908923528955 15.999 > 7 69 O 0.83333333333333 0.54854307743892 0.11908923528955 15.999 > 7 70 O 0.16666666666667 0.79058080732224 0.41251605642912 15.999 > 8 71 O 0.50000000000000 0.79058080732224 0.41251605642912 15.999 > 8 72 O 0.83333333333333 0.79058080732224 0.41251605642912 15.999 > 8 73 O 0.16666666666667 0.54854307743892 0.38091076471045 15.999 > 9 74 O 0.50000000000000 0.54854307743892 0.38091076471045 15.999 > 9 75 O 0.83333333333333 0.54854307743892 0.38091076471045 15.999 > 9 76 O 0.16666666666667 0.79058080732224 0.08748394357088 15.999 > 10 77 O 0.50000000000000 0.79058080732224 0.08748394357088 15.999 > 10 78 O 0.83333333333333 0.79058080732224 0.08748394357088 15.999 > 10 79 O 0.16666666666667 0.76526373375303 0.75000000000000 15.999 > 11 80 O 0.50000000000000 0.76526373375303 0.75000000000000 15.999 > 11 81 O 0.83333333333333 0.76526373375303 0.75000000000000 15.999 > 11 82 O 0.00000000000000 0.95145692256108 0.61908923528955 15.999 > 12 83 O 0.33333333333333 0.95145692256108 0.61908923528955 15.999 > 12 84 O 0.66666666666667 0.95145692256108 0.61908923528955 15.999 > 12 85 O 0.00000000000000 0.73473626624697 0.25000000000000 15.999 > 13 86 O 0.33333333333333 0.73473626624697 0.25000000000000 15.999 > 13 87 O 0.66666666666667 0.73473626624697 0.25000000000000 15.999 > 13 88 O 0.00000000000000 0.70941919267776 0.58748394357088 15.999 > 14 89 O 0.33333333333333 0.70941919267776 0.58748394357088 15.999 > 14 90 O 0.66666666666667 0.70941919267776 0.58748394357088 15.999 > 14 91 O 0.00000000000000 0.95145692256108 0.88091076471045 15.999 > 15 92 O 0.33333333333333 0.95145692256108 0.88091076471045 15.999 > 15 93 O 0.66666666666667 0.95145692256108 0.88091076471045 15.999 > 15 94 O 0.00000000000000 0.70941919267776 0.91251605642912 15.999 > 16 95 O 0.33333333333333 0.70941919267776 0.91251605642912 15.999 > 16 96 O 0.66666666666667 0.70941919267776 0.91251605642912 15.999 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7336850 0.0000000 0.0000000 0.0000000 3.8620477 0.0000000 0.0000000 0.0000000 3.9181998 -------------------------- Born effective charges -------------------------- 1 Y 3.4120956 0.0000000 0.0000000 0.0000000 3.9330857 0.1087172 0.0000000 0.0942261 3.4821133 2 Y 3.4120956 0.0000000 0.0000000 0.0000000 3.9330857 -0.1087172 0.0000000 -0.0942261 3.4821133 3 Y 3.4120956 0.0000000 0.0000000 0.0000000 3.9330857 -0.1087172 0.0000000 -0.0942261 3.4821133 4 Y 3.4120956 0.0000000 0.0000000 0.0000000 3.9330857 0.1087172 0.0000000 0.0942261 3.4821133 5 Hf 4.6158009 0.0000000 0.0000000 0.0000000 4.2885031 0.0000000 0.0000000 0.0000000 5.8017492 6 Hf 4.6158009 0.0000000 0.0000000 0.0000000 4.2885031 0.0000000 0.0000000 0.0000000 5.8017492 7 O -0.9547111 0.0000000 0.0000000 0.0000000 -3.2997277 -0.6634727 0.0000000 -0.9048219 -3.0024599 8 O -2.9264092 0.0000000 0.0000000 0.0000000 -2.0246319 -0.3691245 0.0000000 -0.3035609 -2.3548923 9 O -0.9547111 0.0000000 0.0000000 0.0000000 -3.2997277 0.6634727 0.0000000 0.9048219 -3.0024599 10 O -2.9264092 0.0000000 0.0000000 0.0000000 -2.0246319 0.3691245 0.0000000 0.3035609 -2.3548923 11 O -3.6777515 0.0000000 0.0000000 0.0000000 -1.5059552 0.0000000 0.0000000 0.0000000 -2.0512714 12 O -0.9547111 0.0000000 0.0000000 0.0000000 -3.2997277 0.6634727 0.0000000 0.9048219 -3.0024599 13 O -3.6777515 0.0000000 0.0000000 0.0000000 -1.5059552 0.0000000 0.0000000 0.0000000 -2.0512714 14 O -2.9264092 0.0000000 0.0000000 0.0000000 -2.0246319 -0.3691245 0.0000000 -0.3035609 -2.3548923 15 O -0.9547111 0.0000000 0.0000000 0.0000000 -3.2997277 -0.6634727 0.0000000 -0.9048219 -3.0024599 16 O -2.9264092 0.0000000 0.0000000 0.0000000 -2.0246319 0.3691245 0.0000000 0.3035609 -2.3548923 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 8652/8652 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1000 Number of blocks in projector: 1000 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: 240 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 120 Use standard eigh solver. Tree of FC basis block matrices: - (1000, 979), data: False |-- (120, 120), data: True |-- (136, 136), data: True |-- (168, 163), data: True |-- (168, 163), data: True |-- (168, 163), data: True |-- (240, 234), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 0.873 Solver_block: 200 / 240 - Time: 0.886 Solver_block: 240 / 240 - Time: 0.416 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.194 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 8652/8652 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1000 Number of blocks in projector: 1000 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: 240 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 120 Use standard eigh solver. Tree of FC basis block matrices: - (1000, 979), data: False |-- (120, 120), data: True |-- (136, 136), data: True |-- (168, 163), data: True |-- (168, 163), data: True |-- (168, 163), data: True |-- (240, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:43:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:43:45]------------------------- 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): [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.032484720000000 -5.565245900000000 0.000000000000000 b 2.032484720000000 5.565245900000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.756372699999998 Atomic positions (fractional): 1 Y 0.86059001973762 0.13940998026238 0.56593702902205 88.906 2 Y 0.86059001973762 0.13940998026238 0.93406297097795 88.906 3 Y 0.13940998026238 0.86059001973762 0.06593702902205 88.906 4 Y 0.13940998026238 0.86059001973762 0.43406297097795 88.906 5 Hf 0.82248138986524 0.17751861013476 0.25000000000000 178.490 6 Hf 0.17751861013476 0.82248138986524 0.75000000000000 178.490 7 O 0.95145692256108 0.04854307743892 0.11908923528955 15.999 8 O 0.70941919267776 0.29058080732224 0.41251605642912 15.999 9 O 0.95145692256108 0.04854307743892 0.38091076471045 15.999 10 O 0.70941919267776 0.29058080732224 0.08748394357088 15.999 11 O 0.73473626624697 0.26526373375303 0.75000000000000 15.999 12 O 0.04854307743892 0.95145692256108 0.61908923528955 15.999 13 O 0.26526373375303 0.73473626624697 0.25000000000000 15.999 14 O 0.29058080732224 0.70941919267776 0.58748394357088 15.999 15 O 0.04854307743892 0.95145692256108 0.88091076471045 15.999 16 O 0.29058080732224 0.70941919267776 0.91251605642912 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.194908320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.130491800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.756372699999998 Atomic positions (fractional): 1 Y 0.00000000000000 0.13940998026238 0.56593702902205 88.906 > 1 2 Y 0.33333333333333 0.13940998026238 0.56593702902205 88.906 > 1 3 Y 0.66666666666667 0.13940998026238 0.56593702902205 88.906 > 1 4 Y 0.00000000000000 0.13940998026238 0.93406297097795 88.906 > 4 5 Y 0.33333333333333 0.13940998026238 0.93406297097795 88.906 > 4 6 Y 0.66666666666667 0.13940998026238 0.93406297097795 88.906 > 4 7 Y 0.16666666666667 0.36059001973762 0.06593702902205 88.906 > 7 8 Y 0.50000000000000 0.36059001973762 0.06593702902205 88.906 > 7 9 Y 0.83333333333333 0.36059001973762 0.06593702902205 88.906 > 7 10 Y 0.16666666666667 0.36059001973762 0.43406297097795 88.906 > 10 11 Y 0.50000000000000 0.36059001973762 0.43406297097795 88.906 > 10 12 Y 0.83333333333333 0.36059001973762 0.43406297097795 88.906 > 10 13 Y 0.16666666666667 0.63940998026238 0.56593702902205 88.906 > 1 14 Y 0.50000000000000 0.63940998026238 0.56593702902205 88.906 > 1 15 Y 0.83333333333333 0.63940998026238 0.56593702902205 88.906 > 1 16 Y 0.16666666666667 0.63940998026238 0.93406297097795 88.906 > 4 17 Y 0.50000000000000 0.63940998026238 0.93406297097795 88.906 > 4 18 Y 0.83333333333333 0.63940998026238 0.93406297097795 88.906 > 4 19 Y 0.00000000000000 0.86059001973762 0.06593702902205 88.906 > 7 20 Y 0.33333333333333 0.86059001973762 0.06593702902205 88.906 > 7 21 Y 0.66666666666667 0.86059001973762 0.06593702902205 88.906 > 7 22 Y 0.00000000000000 0.86059001973762 0.43406297097795 88.906 > 10 23 Y 0.33333333333333 0.86059001973762 0.43406297097795 88.906 > 10 24 Y 0.66666666666667 0.86059001973762 0.43406297097795 88.906 > 10 25 Hf 0.00000000000000 0.17751861013476 0.25000000000000 178.490 > 25 26 Hf 0.33333333333333 0.17751861013476 0.25000000000000 178.490 > 25 27 Hf 0.66666666666667 0.17751861013476 0.25000000000000 178.490 > 25 28 Hf 0.16666666666667 0.32248138986524 0.75000000000000 178.490 > 28 29 Hf 0.50000000000000 0.32248138986524 0.75000000000000 178.490 > 28 30 Hf 0.83333333333333 0.32248138986524 0.75000000000000 178.490 > 28 31 Hf 0.16666666666667 0.67751861013476 0.25000000000000 178.490 > 25 32 Hf 0.50000000000000 0.67751861013476 0.25000000000000 178.490 > 25 33 Hf 0.83333333333333 0.67751861013476 0.25000000000000 178.490 > 25 34 Hf 0.00000000000000 0.82248138986524 0.75000000000000 178.490 > 28 35 Hf 0.33333333333333 0.82248138986524 0.75000000000000 178.490 > 28 36 Hf 0.66666666666667 0.82248138986524 0.75000000000000 178.490 > 28 37 O 0.00000000000000 0.04854307743892 0.11908923528955 15.999 > 37 38 O 0.33333333333333 0.04854307743892 0.11908923528955 15.999 > 37 39 O 0.66666666666667 0.04854307743892 0.11908923528955 15.999 > 37 40 O 0.00000000000000 0.29058080732224 0.41251605642912 15.999 > 40 41 O 0.33333333333333 0.29058080732224 0.41251605642912 15.999 > 40 42 O 0.66666666666667 0.29058080732224 0.41251605642912 15.999 > 40 43 O 0.00000000000000 0.04854307743892 0.38091076471045 15.999 > 43 44 O 0.33333333333333 0.04854307743892 0.38091076471045 15.999 > 43 45 O 0.66666666666667 0.04854307743892 0.38091076471045 15.999 > 43 46 O 0.00000000000000 0.29058080732224 0.08748394357088 15.999 > 46 47 O 0.33333333333333 0.29058080732224 0.08748394357088 15.999 > 46 48 O 0.66666666666667 0.29058080732224 0.08748394357088 15.999 > 46 49 O 0.00000000000000 0.26526373375303 0.75000000000000 15.999 > 49 50 O 0.33333333333333 0.26526373375303 0.75000000000000 15.999 > 49 51 O 0.66666666666667 0.26526373375303 0.75000000000000 15.999 > 49 52 O 0.16666666666667 0.45145692256108 0.61908923528955 15.999 > 52 53 O 0.50000000000000 0.45145692256108 0.61908923528955 15.999 > 52 54 O 0.83333333333333 0.45145692256108 0.61908923528955 15.999 > 52 55 O 0.16666666666667 0.23473626624697 0.25000000000000 15.999 > 55 56 O 0.50000000000000 0.23473626624697 0.25000000000000 15.999 > 55 57 O 0.83333333333333 0.23473626624697 0.25000000000000 15.999 > 55 58 O 0.16666666666667 0.20941919267776 0.58748394357088 15.999 > 58 59 O 0.50000000000000 0.20941919267776 0.58748394357088 15.999 > 58 60 O 0.83333333333333 0.20941919267776 0.58748394357088 15.999 > 58 61 O 0.16666666666667 0.45145692256108 0.88091076471045 15.999 > 61 62 O 0.50000000000000 0.45145692256108 0.88091076471045 15.999 > 61 63 O 0.83333333333333 0.45145692256108 0.88091076471045 15.999 > 61 64 O 0.16666666666667 0.20941919267776 0.91251605642912 15.999 > 64 65 O 0.50000000000000 0.20941919267776 0.91251605642912 15.999 > 64 66 O 0.83333333333333 0.20941919267776 0.91251605642912 15.999 > 64 67 O 0.16666666666667 0.54854307743892 0.11908923528955 15.999 > 37 68 O 0.50000000000000 0.54854307743892 0.11908923528955 15.999 > 37 69 O 0.83333333333333 0.54854307743892 0.11908923528955 15.999 > 37 70 O 0.16666666666667 0.79058080732224 0.41251605642912 15.999 > 40 71 O 0.50000000000000 0.79058080732224 0.41251605642912 15.999 > 40 72 O 0.83333333333333 0.79058080732224 0.41251605642912 15.999 > 40 73 O 0.16666666666667 0.54854307743892 0.38091076471045 15.999 > 43 74 O 0.50000000000000 0.54854307743892 0.38091076471045 15.999 > 43 75 O 0.83333333333333 0.54854307743892 0.38091076471045 15.999 > 43 76 O 0.16666666666667 0.79058080732224 0.08748394357088 15.999 > 46 77 O 0.50000000000000 0.79058080732224 0.08748394357088 15.999 > 46 78 O 0.83333333333333 0.79058080732224 0.08748394357088 15.999 > 46 79 O 0.16666666666667 0.76526373375303 0.75000000000000 15.999 > 49 80 O 0.50000000000000 0.76526373375303 0.75000000000000 15.999 > 49 81 O 0.83333333333333 0.76526373375303 0.75000000000000 15.999 > 49 82 O 0.00000000000000 0.95145692256108 0.61908923528955 15.999 > 52 83 O 0.33333333333333 0.95145692256108 0.61908923528955 15.999 > 52 84 O 0.66666666666667 0.95145692256108 0.61908923528955 15.999 > 52 85 O 0.00000000000000 0.73473626624697 0.25000000000000 15.999 > 55 86 O 0.33333333333333 0.73473626624697 0.25000000000000 15.999 > 55 87 O 0.66666666666667 0.73473626624697 0.25000000000000 15.999 > 55 88 O 0.00000000000000 0.70941919267776 0.58748394357088 15.999 > 58 89 O 0.33333333333333 0.70941919267776 0.58748394357088 15.999 > 58 90 O 0.66666666666667 0.70941919267776 0.58748394357088 15.999 > 58 91 O 0.00000000000000 0.95145692256108 0.88091076471045 15.999 > 61 92 O 0.33333333333333 0.95145692256108 0.88091076471045 15.999 > 61 93 O 0.66666666666667 0.95145692256108 0.88091076471045 15.999 > 61 94 O 0.00000000000000 0.70941919267776 0.91251605642912 15.999 > 64 95 O 0.33333333333333 0.70941919267776 0.91251605642912 15.999 > 64 96 O 0.66666666666667 0.70941919267776 0.91251605642912 15.999 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7336850 0.0000000 0.0000000 0.0000000 3.8620477 0.0000000 0.0000000 0.0000000 3.9181998 -------------------------- Born effective charges -------------------------- 1 Y 3.4120956 0.0000000 0.0000000 0.0000000 3.9330857 0.1087172 0.0000000 0.0942261 3.4821133 2 Y 3.4120956 0.0000000 0.0000000 0.0000000 3.9330857 -0.1087172 0.0000000 -0.0942261 3.4821133 3 Y 3.4120956 0.0000000 0.0000000 0.0000000 3.9330857 -0.1087172 0.0000000 -0.0942261 3.4821133 4 Y 3.4120956 0.0000000 0.0000000 0.0000000 3.9330857 0.1087172 0.0000000 0.0942261 3.4821133 5 Hf 4.6158009 0.0000000 0.0000000 0.0000000 4.2885031 0.0000000 0.0000000 0.0000000 5.8017492 6 Hf 4.6158009 0.0000000 0.0000000 0.0000000 4.2885031 0.0000000 0.0000000 0.0000000 5.8017492 7 O -0.9547111 0.0000000 0.0000000 0.0000000 -3.2997277 -0.6634727 0.0000000 -0.9048219 -3.0024599 8 O -2.9264092 0.0000000 0.0000000 0.0000000 -2.0246319 -0.3691245 0.0000000 -0.3035609 -2.3548923 9 O -0.9547111 0.0000000 0.0000000 0.0000000 -3.2997277 0.6634727 0.0000000 0.9048219 -3.0024599 10 O -2.9264092 0.0000000 0.0000000 0.0000000 -2.0246319 0.3691245 0.0000000 0.3035609 -2.3548923 11 O -3.6777515 0.0000000 0.0000000 0.0000000 -1.5059552 0.0000000 0.0000000 0.0000000 -2.0512714 12 O -0.9547111 0.0000000 0.0000000 0.0000000 -3.2997277 0.6634727 0.0000000 0.9048219 -3.0024599 13 O -3.6777515 0.0000000 0.0000000 0.0000000 -1.5059552 0.0000000 0.0000000 0.0000000 -2.0512714 14 O -2.9264092 0.0000000 0.0000000 0.0000000 -2.0246319 -0.3691245 0.0000000 -0.3035609 -2.3548923 15 O -0.9547111 0.0000000 0.0000000 0.0000000 -3.2997277 -0.6634727 0.0000000 -0.9048219 -3.0024599 16 O -2.9264092 0.0000000 0.0000000 0.0000000 -2.0246319 0.3691245 0.0000000 0.3035609 -2.3548923 ---------------------------------------------------------------------------- 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[ 25, 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[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 40, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:43:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:43:57]------------------------- 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): [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.032484720000000 -5.565245900000000 0.000000000000000 b 2.032484720000000 5.565245900000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.756372699999998 Atomic positions (fractional): 1 Y 0.86059001973762 0.13940998026238 0.56593702902205 88.906 2 Y 0.86059001973762 0.13940998026238 0.93406297097795 88.906 3 Y 0.13940998026238 0.86059001973762 0.06593702902205 88.906 4 Y 0.13940998026238 0.86059001973762 0.43406297097795 88.906 5 Hf 0.82248138986524 0.17751861013476 0.25000000000000 178.490 6 Hf 0.17751861013476 0.82248138986524 0.75000000000000 178.490 7 O 0.95145692256108 0.04854307743892 0.11908923528955 15.999 8 O 0.70941919267776 0.29058080732224 0.41251605642912 15.999 9 O 0.95145692256108 0.04854307743892 0.38091076471045 15.999 10 O 0.70941919267776 0.29058080732224 0.08748394357088 15.999 11 O 0.73473626624697 0.26526373375303 0.75000000000000 15.999 12 O 0.04854307743892 0.95145692256108 0.61908923528955 15.999 13 O 0.26526373375303 0.73473626624697 0.25000000000000 15.999 14 O 0.29058080732224 0.70941919267776 0.58748394357088 15.999 15 O 0.04854307743892 0.95145692256108 0.88091076471045 15.999 16 O 0.29058080732224 0.70941919267776 0.91251605642912 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.194908320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.130491800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.756372699999998 Atomic positions (fractional): 1 Y 0.00000000000000 0.13940998026238 0.56593702902205 88.906 > 1 2 Y 0.33333333333333 0.13940998026238 0.56593702902205 88.906 > 1 3 Y 0.66666666666667 0.13940998026238 0.56593702902205 88.906 > 1 4 Y 0.00000000000000 0.13940998026238 0.93406297097795 88.906 > 4 5 Y 0.33333333333333 0.13940998026238 0.93406297097795 88.906 > 4 6 Y 0.66666666666667 0.13940998026238 0.93406297097795 88.906 > 4 7 Y 0.16666666666667 0.36059001973762 0.06593702902205 88.906 > 7 8 Y 0.50000000000000 0.36059001973762 0.06593702902205 88.906 > 7 9 Y 0.83333333333333 0.36059001973762 0.06593702902205 88.906 > 7 10 Y 0.16666666666667 0.36059001973762 0.43406297097795 88.906 > 10 11 Y 0.50000000000000 0.36059001973762 0.43406297097795 88.906 > 10 12 Y 0.83333333333333 0.36059001973762 0.43406297097795 88.906 > 10 13 Y 0.16666666666667 0.63940998026238 0.56593702902205 88.906 > 1 14 Y 0.50000000000000 0.63940998026238 0.56593702902205 88.906 > 1 15 Y 0.83333333333333 0.63940998026238 0.56593702902205 88.906 > 1 16 Y 0.16666666666667 0.63940998026238 0.93406297097795 88.906 > 4 17 Y 0.50000000000000 0.63940998026238 0.93406297097795 88.906 > 4 18 Y 0.83333333333333 0.63940998026238 0.93406297097795 88.906 > 4 19 Y 0.00000000000000 0.86059001973762 0.06593702902205 88.906 > 7 20 Y 0.33333333333333 0.86059001973762 0.06593702902205 88.906 > 7 21 Y 0.66666666666667 0.86059001973762 0.06593702902205 88.906 > 7 22 Y 0.00000000000000 0.86059001973762 0.43406297097795 88.906 > 10 23 Y 0.33333333333333 0.86059001973762 0.43406297097795 88.906 > 10 24 Y 0.66666666666667 0.86059001973762 0.43406297097795 88.906 > 10 25 Hf 0.00000000000000 0.17751861013476 0.25000000000000 178.490 > 25 26 Hf 0.33333333333333 0.17751861013476 0.25000000000000 178.490 > 25 27 Hf 0.66666666666667 0.17751861013476 0.25000000000000 178.490 > 25 28 Hf 0.16666666666667 0.32248138986524 0.75000000000000 178.490 > 28 29 Hf 0.50000000000000 0.32248138986524 0.75000000000000 178.490 > 28 30 Hf 0.83333333333333 0.32248138986524 0.75000000000000 178.490 > 28 31 Hf 0.16666666666667 0.67751861013476 0.25000000000000 178.490 > 25 32 Hf 0.50000000000000 0.67751861013476 0.25000000000000 178.490 > 25 33 Hf 0.83333333333333 0.67751861013476 0.25000000000000 178.490 > 25 34 Hf 0.00000000000000 0.82248138986524 0.75000000000000 178.490 > 28 35 Hf 0.33333333333333 0.82248138986524 0.75000000000000 178.490 > 28 36 Hf 0.66666666666667 0.82248138986524 0.75000000000000 178.490 > 28 37 O 0.00000000000000 0.04854307743892 0.11908923528955 15.999 > 37 38 O 0.33333333333333 0.04854307743892 0.11908923528955 15.999 > 37 39 O 0.66666666666667 0.04854307743892 0.11908923528955 15.999 > 37 40 O 0.00000000000000 0.29058080732224 0.41251605642912 15.999 > 40 41 O 0.33333333333333 0.29058080732224 0.41251605642912 15.999 > 40 42 O 0.66666666666667 0.29058080732224 0.41251605642912 15.999 > 40 43 O 0.00000000000000 0.04854307743892 0.38091076471045 15.999 > 43 44 O 0.33333333333333 0.04854307743892 0.38091076471045 15.999 > 43 45 O 0.66666666666667 0.04854307743892 0.38091076471045 15.999 > 43 46 O 0.00000000000000 0.29058080732224 0.08748394357088 15.999 > 46 47 O 0.33333333333333 0.29058080732224 0.08748394357088 15.999 > 46 48 O 0.66666666666667 0.29058080732224 0.08748394357088 15.999 > 46 49 O 0.00000000000000 0.26526373375303 0.75000000000000 15.999 > 49 50 O 0.33333333333333 0.26526373375303 0.75000000000000 15.999 > 49 51 O 0.66666666666667 0.26526373375303 0.75000000000000 15.999 > 49 52 O 0.16666666666667 0.45145692256108 0.61908923528955 15.999 > 52 53 O 0.50000000000000 0.45145692256108 0.61908923528955 15.999 > 52 54 O 0.83333333333333 0.45145692256108 0.61908923528955 15.999 > 52 55 O 0.16666666666667 0.23473626624697 0.25000000000000 15.999 > 55 56 O 0.50000000000000 0.23473626624697 0.25000000000000 15.999 > 55 57 O 0.83333333333333 0.23473626624697 0.25000000000000 15.999 > 55 58 O 0.16666666666667 0.20941919267776 0.58748394357088 15.999 > 58 59 O 0.50000000000000 0.20941919267776 0.58748394357088 15.999 > 58 60 O 0.83333333333333 0.20941919267776 0.58748394357088 15.999 > 58 61 O 0.16666666666667 0.45145692256108 0.88091076471045 15.999 > 61 62 O 0.50000000000000 0.45145692256108 0.88091076471045 15.999 > 61 63 O 0.83333333333333 0.45145692256108 0.88091076471045 15.999 > 61 64 O 0.16666666666667 0.20941919267776 0.91251605642912 15.999 > 64 65 O 0.50000000000000 0.20941919267776 0.91251605642912 15.999 > 64 66 O 0.83333333333333 0.20941919267776 0.91251605642912 15.999 > 64 67 O 0.16666666666667 0.54854307743892 0.11908923528955 15.999 > 37 68 O 0.50000000000000 0.54854307743892 0.11908923528955 15.999 > 37 69 O 0.83333333333333 0.54854307743892 0.11908923528955 15.999 > 37 70 O 0.16666666666667 0.79058080732224 0.41251605642912 15.999 > 40 71 O 0.50000000000000 0.79058080732224 0.41251605642912 15.999 > 40 72 O 0.83333333333333 0.79058080732224 0.41251605642912 15.999 > 40 73 O 0.16666666666667 0.54854307743892 0.38091076471045 15.999 > 43 74 O 0.50000000000000 0.54854307743892 0.38091076471045 15.999 > 43 75 O 0.83333333333333 0.54854307743892 0.38091076471045 15.999 > 43 76 O 0.16666666666667 0.79058080732224 0.08748394357088 15.999 > 46 77 O 0.50000000000000 0.79058080732224 0.08748394357088 15.999 > 46 78 O 0.83333333333333 0.79058080732224 0.08748394357088 15.999 > 46 79 O 0.16666666666667 0.76526373375303 0.75000000000000 15.999 > 49 80 O 0.50000000000000 0.76526373375303 0.75000000000000 15.999 > 49 81 O 0.83333333333333 0.76526373375303 0.75000000000000 15.999 > 49 82 O 0.00000000000000 0.95145692256108 0.61908923528955 15.999 > 52 83 O 0.33333333333333 0.95145692256108 0.61908923528955 15.999 > 52 84 O 0.66666666666667 0.95145692256108 0.61908923528955 15.999 > 52 85 O 0.00000000000000 0.73473626624697 0.25000000000000 15.999 > 55 86 O 0.33333333333333 0.73473626624697 0.25000000000000 15.999 > 55 87 O 0.66666666666667 0.73473626624697 0.25000000000000 15.999 > 55 88 O 0.00000000000000 0.70941919267776 0.58748394357088 15.999 > 58 89 O 0.33333333333333 0.70941919267776 0.58748394357088 15.999 > 58 90 O 0.66666666666667 0.70941919267776 0.58748394357088 15.999 > 58 91 O 0.00000000000000 0.95145692256108 0.88091076471045 15.999 > 61 92 O 0.33333333333333 0.95145692256108 0.88091076471045 15.999 > 61 93 O 0.66666666666667 0.95145692256108 0.88091076471045 15.999 > 61 94 O 0.00000000000000 0.70941919267776 0.91251605642912 15.999 > 64 95 O 0.33333333333333 0.70941919267776 0.91251605642912 15.999 > 64 96 O 0.66666666666667 0.70941919267776 0.91251605642912 15.999 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7336850 0.0000000 0.0000000 0.0000000 3.8620477 0.0000000 0.0000000 0.0000000 3.9181998 -------------------------- Born effective charges -------------------------- 1 Y 3.4120956 0.0000000 0.0000000 0.0000000 3.9330857 0.1087172 0.0000000 0.0942261 3.4821133 2 Y 3.4120956 0.0000000 0.0000000 0.0000000 3.9330857 -0.1087172 0.0000000 -0.0942261 3.4821133 3 Y 3.4120956 0.0000000 0.0000000 0.0000000 3.9330857 -0.1087172 0.0000000 -0.0942261 3.4821133 4 Y 3.4120956 0.0000000 0.0000000 0.0000000 3.9330857 0.1087172 0.0000000 0.0942261 3.4821133 5 Hf 4.6158009 0.0000000 0.0000000 0.0000000 4.2885031 0.0000000 0.0000000 0.0000000 5.8017492 6 Hf 4.6158009 0.0000000 0.0000000 0.0000000 4.2885031 0.0000000 0.0000000 0.0000000 5.8017492 7 O -0.9547111 0.0000000 0.0000000 0.0000000 -3.2997277 -0.6634727 0.0000000 -0.9048219 -3.0024599 8 O -2.9264092 0.0000000 0.0000000 0.0000000 -2.0246319 -0.3691245 0.0000000 -0.3035609 -2.3548923 9 O -0.9547111 0.0000000 0.0000000 0.0000000 -3.2997277 0.6634727 0.0000000 0.9048219 -3.0024599 10 O -2.9264092 0.0000000 0.0000000 0.0000000 -2.0246319 0.3691245 0.0000000 0.3035609 -2.3548923 11 O -3.6777515 0.0000000 0.0000000 0.0000000 -1.5059552 0.0000000 0.0000000 0.0000000 -2.0512714 12 O -0.9547111 0.0000000 0.0000000 0.0000000 -3.2997277 0.6634727 0.0000000 0.9048219 -3.0024599 13 O -3.6777515 0.0000000 0.0000000 0.0000000 -1.5059552 0.0000000 0.0000000 0.0000000 -2.0512714 14 O -2.9264092 0.0000000 0.0000000 0.0000000 -2.0246319 -0.3691245 0.0000000 -0.3035609 -2.3548923 15 O -0.9547111 0.0000000 0.0000000 0.0000000 -3.2997277 -0.6634727 0.0000000 -0.9048219 -3.0024599 16 O -2.9264092 0.0000000 0.0000000 0.0000000 -2.0246319 0.3691245 0.0000000 0.3035609 -2.3548923 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 5 ] 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: 0.67, Number of G-points: 291, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/147) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 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 2.195 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.264 ( 0.000 0.000 0.000) 0.000 3.306 ( 0.000 0.000 0.000) 0.000 3.322 ( 0.000 0.000 0.000) 0.000 3.756 ( 0.000 0.000 0.000) 0.000 4.113 ( 0.000 0.000 0.000) 0.000 4.635 ( 0.000 0.000 0.000) 0.000 5.117 ( 0.000 0.000 0.000) 0.000 5.265 ( 0.000 0.000 0.000) 0.000 5.298 ( 0.000 0.000 0.000) 0.000 5.508 ( 0.000 0.000 0.000) 0.000 5.520 ( 0.000 0.000 0.000) 0.000 5.760 ( 0.000 0.000 0.000) 0.000 5.802 ( 0.000 0.000 0.000) 0.000 6.436 ( 0.000 0.000 0.000) 0.000 6.827 ( 0.000 0.000 0.000) 0.000 7.484 ( 0.000 0.000 0.000) 0.000 7.931 ( 0.000 0.000 0.000) 0.000 8.280 ( 0.000 0.000 0.000) 0.000 8.952 ( 0.000 0.000 0.000) 0.000 9.603 ( 0.000 0.000 0.000) 0.000 9.913 ( 0.000 0.000 0.000) 0.000 10.421 ( 0.000 0.000 0.000) 0.000 10.761 ( 0.000 0.000 0.000) 0.000 11.192 ( 0.000 0.000 0.000) 0.000 11.385 ( 0.000 0.000 0.000) 0.000 12.425 ( 0.000 0.000 0.000) 0.000 12.517 ( 0.000 0.000 0.000) 0.000 12.745 ( 0.000 0.000 0.000) 0.000 12.745 ( 0.000 0.000 0.000) 0.000 13.219 ( 0.000 0.000 0.000) 0.000 13.557 ( 0.000 0.000 0.000) 0.000 14.201 ( 0.000 0.000 0.000) 0.000 14.215 ( 0.000 0.000 0.000) 0.000 14.508 ( 0.000 0.000 0.000) 0.000 15.096 ( 0.000 0.000 0.000) 0.000 16.029 ( 0.000 0.000 0.000) 0.000 16.333 ( 0.000 0.000 0.000) 0.000 16.432 ( 0.000 0.000 0.000) 0.000 17.011 ( 0.000 0.000 0.000) 0.000 17.914 ( 0.000 0.000 0.000) 0.000 20.674 ( 0.000 0.000 0.000) 0.000 21.063 ( 0.000 0.000 0.000) 0.000 21.380 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/147) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 10.944 -45.889 0.000) 47.176 0.663 ( 29.925 -11.734 0.000) 32.143 1.166 ( 56.117 -7.643 0.000) 56.635 2.292 ( 9.473 -0.995 0.000) 9.525 3.049 ( 2.029 0.501 0.000) 2.090 3.263 ( 1.264 2.159 0.000) 2.502 3.318 ( 2.125 -1.497 0.000) 2.599 3.424 ( 8.028 -4.059 0.000) 8.996 4.037 ( 18.122 5.549 0.000) 18.952 4.135 ( 2.330 1.858 0.000) 2.980 4.759 ( 11.730 0.216 0.000) 11.732 5.096 ( 6.204 17.840 0.000) 18.887 5.319 ( 4.870 -13.377 0.000) 14.236 5.514 ( 1.558 4.986 0.000) 5.223 5.598 ( 21.653 -6.561 0.000) 22.625 5.603 ( 8.488 4.641 0.000) 9.674 5.702 ( 7.971 11.225 0.000) 13.767 5.972 ( 4.363 -18.900 0.000) 19.397 6.721 ( 10.391 5.282 0.000) 11.656 6.859 ( 6.623 7.908 0.000) 10.315 7.491 ( -0.558 -3.963 0.000) 4.002 8.008 ( 6.269 -4.568 0.000) 7.757 8.270 ( 0.504 3.488 0.000) 3.524 8.872 ( -11.950 -5.250 0.000) 13.052 9.573 ( -3.081 0.097 0.000) 3.082 9.827 ( -7.976 2.771 0.000) 8.444 10.391 ( -2.966 0.899 0.000) 3.099 10.755 ( -14.256 -19.728 0.000) 24.340 11.134 ( -6.134 0.525 0.000) 6.156 11.328 ( -6.628 -2.153 0.000) 6.969 12.382 ( -13.343 0.132 0.000) 13.344 12.520 ( -11.854 10.411 0.000) 15.777 12.709 ( -8.318 -12.398 0.000) 14.930 13.124 ( -35.439 4.255 0.000) 35.693 13.464 ( 24.350 5.067 0.000) 24.872 14.087 ( -7.133 1.001 0.000) 7.203 14.188 ( -2.214 1.323 0.000) 2.579 14.458 ( -6.793 -3.671 0.000) 7.721 15.535 ( 34.529 1.205 0.000) 34.550 16.142 ( 10.822 -0.421 0.000) 10.830 16.202 ( 6.223 9.068 0.000) 10.998 16.265 ( -1.618 1.904 0.000) 2.499 17.131 ( 11.848 1.419 0.000) 11.933 17.960 ( 3.901 -2.882 0.000) 4.851 19.339 ( 33.590 99.918 0.000) 105.413 20.638 ( -2.307 3.714 0.000) 4.372 21.402 ( -0.746 -8.338 0.000) 8.371 21.559 ( -29.192 -86.520 0.000) 91.312 ======================= Grid point 2 (3/147) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 15.482 -37.352 0.000) 40.433 1.282 ( 26.835 -11.294 0.000) 29.115 2.192 ( 45.595 -9.199 0.000) 46.514 2.547 ( 15.530 -2.818 0.000) 15.783 3.123 ( 6.512 1.056 0.000) 6.597 3.325 ( 6.658 -0.473 0.000) 6.675 3.405 ( 3.840 -6.720 0.000) 7.740 3.662 ( 15.081 0.390 0.000) 15.086 4.156 ( 1.259 1.991 0.000) 2.356 4.398 ( 21.201 6.561 0.000) 22.193 4.989 ( 9.385 -3.386 0.000) 9.977 5.118 ( 8.628 18.365 0.000) 20.291 5.554 ( 11.695 13.866 0.000) 18.140 5.577 ( 10.544 -15.797 0.000) 18.992 5.697 ( 9.945 10.194 0.000) 14.241 6.000 ( 22.506 -2.871 0.000) 22.688 6.140 ( 31.030 -1.100 0.000) 31.050 6.208 ( 8.871 -12.593 0.000) 15.404 6.944 ( 13.445 -2.625 0.000) 13.699 6.992 ( 14.707 10.157 0.000) 17.873 7.528 ( 1.070 -6.832 0.000) 6.915 8.217 ( 10.479 -8.332 0.000) 13.387 8.274 ( 4.884 7.690 0.000) 9.110 8.670 ( -10.003 -2.001 0.000) 10.201 9.495 ( -4.644 -0.021 0.000) 4.644 9.584 ( -13.970 5.691 0.000) 15.085 10.289 ( -6.875 2.364 0.000) 7.270 10.568 ( -17.993 -15.535 0.000) 23.771 10.944 ( -13.452 0.959 0.000) 13.486 11.182 ( -10.501 -4.138 0.000) 11.287 12.062 ( -18.907 0.106 0.000) 18.907 12.229 ( -12.990 6.688 0.000) 14.610 12.427 ( -31.435 4.370 0.000) 31.737 12.599 ( -14.791 -18.646 0.000) 23.800 13.859 ( 16.499 -2.141 0.000) 16.638 13.928 ( -9.257 1.032 0.000) 9.315 14.124 ( -2.915 2.142 0.000) 3.617 14.311 ( -11.607 -4.466 0.000) 12.436 16.119 ( 2.777 17.514 0.000) 17.733 16.136 ( 28.776 6.126 0.000) 29.421 16.402 ( 14.841 -3.059 0.000) 15.153 16.412 ( 13.018 7.991 0.000) 15.275 17.400 ( 16.293 -0.478 0.000) 16.300 18.103 ( 8.076 -5.507 0.000) 9.775 19.265 ( 12.938 48.280 0.000) 49.984 20.542 ( -3.826 6.635 0.000) 7.659 21.463 ( -0.668 -12.782 0.000) 12.800 21.623 ( -9.157 -36.530 0.000) 37.660 ======================= Grid point 3 (4/147) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 17.783 -26.602 0.000) 31.998 1.825 ( 22.414 -10.495 0.000) 24.750 2.876 ( 18.113 -3.611 0.000) 18.470 3.025 ( 32.627 -10.981 0.000) 34.425 3.284 ( 11.222 0.667 0.000) 11.241 3.497 ( 8.392 -1.185 0.000) 8.476 3.572 ( 8.802 -11.204 0.000) 14.248 3.957 ( 16.791 4.347 0.000) 17.345 4.164 ( 0.864 -0.169 0.000) 0.880 4.647 ( 9.909 6.478 0.000) 11.838 5.141 ( 7.009 19.194 0.000) 20.433 5.142 ( 1.647 -9.813 0.000) 9.950 5.778 ( 21.420 14.532 0.000) 25.885 5.876 ( 16.988 13.121 0.000) 21.465 5.899 ( 10.489 -17.585 0.000) 20.476 6.448 ( 10.236 -11.039 0.000) 15.054 6.529 ( 28.692 3.070 0.000) 28.855 6.708 ( 30.873 10.991 0.000) 32.771 7.233 ( 12.450 -8.187 0.000) 14.900 7.254 ( 15.125 3.948 0.000) 15.632 7.681 ( 12.421 -8.272 0.000) 14.923 8.384 ( 13.806 10.290 0.000) 17.219 8.486 ( 9.372 -11.473 0.000) 14.815 8.589 ( 1.906 -0.084 0.000) 1.908 9.254 ( -14.968 7.475 0.000) 16.731 9.433 ( -0.543 -0.216 0.000) 0.584 10.095 ( -10.877 4.068 0.000) 11.613 10.307 ( -20.979 -16.956 0.000) 26.975 10.640 ( -16.309 1.512 0.000) 16.379 11.003 ( -11.577 -5.214 0.000) 12.697 11.712 ( -17.491 -0.485 0.000) 17.497 11.917 ( -16.859 2.670 0.000) 17.069 11.922 ( -19.166 4.405 0.000) 19.666 12.406 ( -18.961 -18.249 0.000) 26.316 13.722 ( -11.514 1.163 0.000) 11.572 14.046 ( -0.931 2.291 0.000) 2.473 14.083 ( -15.807 -4.988 0.000) 16.575 14.092 ( 2.755 -5.370 0.000) 6.035 16.124 ( 11.710 21.216 0.000) 24.233 16.490 ( 14.653 6.807 0.000) 16.157 16.585 ( 12.455 12.481 0.000) 17.632 16.736 ( 16.809 -2.403 0.000) 16.980 17.735 ( 17.101 -3.562 0.000) 17.468 18.332 ( 11.042 -7.199 0.000) 13.181 19.169 ( 5.073 28.358 0.000) 28.808 20.410 ( -4.510 8.210 0.000) 9.367 21.550 ( 0.434 -12.937 0.000) 12.945 21.710 ( -2.340 -19.599 0.000) 19.738 ======================= Grid point 4 (5/147) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 16.903 -15.838 0.000) 23.164 2.269 ( 17.174 -9.066 0.000) 19.420 3.218 ( 14.720 -4.601 0.000) 15.423 3.487 ( 13.646 1.137 0.000) 13.693 3.624 ( 4.967 1.082 0.000) 5.084 3.635 ( 20.594 -7.655 0.000) 21.971 3.863 ( 10.362 -13.886 0.000) 17.327 4.183 ( 9.047 2.916 0.000) 9.506 4.250 ( 9.325 -0.776 0.000) 9.357 4.777 ( 6.838 -4.689 0.000) 8.292 5.113 ( 4.309 19.634 0.000) 20.101 5.178 ( -3.911 -9.836 0.000) 10.585 6.078 ( 15.455 13.836 0.000) 20.743 6.116 ( 19.881 14.978 0.000) 24.892 6.197 ( 8.344 -16.100 0.000) 18.134 6.667 ( 9.288 -2.057 0.000) 9.513 7.048 ( 24.726 -0.382 0.000) 24.729 7.128 ( 21.861 13.611 0.000) 25.752 7.435 ( 8.326 2.340 0.000) 8.648 7.543 ( 15.693 -7.334 0.000) 17.322 8.130 ( 25.273 -8.135 0.000) 26.550 8.602 ( 11.876 6.397 0.000) 13.490 8.677 ( 1.619 -12.371 0.000) 12.477 8.752 ( 16.564 9.530 0.000) 19.110 8.981 ( -5.747 3.791 0.000) 6.885 9.531 ( 10.657 -0.451 0.000) 10.666 9.853 ( -10.054 4.916 0.000) 11.192 10.028 ( -20.779 -18.154 0.000) 27.592 10.363 ( -10.212 2.155 0.000) 10.437 10.813 ( -12.410 -4.011 0.000) 13.042 11.418 ( -14.226 -1.307 0.000) 14.286 11.560 ( -19.442 -1.043 0.000) 19.470 11.597 ( -13.027 4.680 0.000) 13.842 12.144 ( -20.245 -14.448 0.000) 24.872 13.489 ( -11.738 1.424 0.000) 11.825 13.790 ( -18.408 -5.090 0.000) 19.099 13.996 ( -2.006 1.103 0.000) 2.289 14.134 ( -1.910 -4.443 0.000) 4.836 16.234 ( 13.208 18.222 0.000) 22.505 16.658 ( 7.734 3.857 0.000) 8.642 16.711 ( 10.064 12.489 0.000) 16.039 17.018 ( 11.851 0.220 0.000) 11.853 18.071 ( 14.795 -4.811 0.000) 15.558 18.598 ( 11.096 -7.444 0.000) 13.362 19.069 ( 0.861 16.562 0.000) 16.584 20.265 ( -4.652 8.195 0.000) 9.424 21.652 ( 1.423 -10.729 0.000) 10.823 21.799 ( 0.383 -11.165 0.000) 11.172 ======================= Grid point 5 (6/147) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 12.478 -7.300 0.000) 14.456 2.595 ( 11.331 -6.731 0.000) 13.180 3.478 ( 9.507 -3.741 0.000) 10.217 3.664 ( 1.150 3.471 0.000) 3.656 3.702 ( 9.073 0.530 0.000) 9.088 3.955 ( 10.946 -0.242 0.000) 10.948 4.086 ( 4.388 -10.321 0.000) 11.215 4.364 ( 9.038 2.208 0.000) 9.304 4.443 ( 9.488 -7.946 0.000) 12.376 4.946 ( 2.284 -7.663 0.000) 7.996 5.036 ( 1.711 19.042 0.000) 19.118 5.228 ( 2.347 -19.286 0.000) 19.428 6.175 ( 9.727 24.243 0.000) 26.121 6.330 ( 8.630 4.751 0.000) 9.851 6.423 ( 5.226 -11.141 0.000) 12.306 6.843 ( 8.740 0.770 0.000) 8.774 7.316 ( 5.572 4.263 0.000) 7.016 7.444 ( 16.136 -1.900 0.000) 16.247 7.613 ( 13.204 6.960 0.000) 14.926 7.913 ( 17.480 -3.592 0.000) 17.845 8.594 ( -1.561 11.877 0.000) 11.980 8.617 ( 18.466 -5.593 0.000) 19.294 8.759 ( 0.796 -10.288 0.000) 10.319 9.006 ( 17.974 8.887 0.000) 20.051 9.126 ( 13.939 -2.734 0.000) 14.205 9.556 ( -8.428 8.635 0.000) 12.066 9.795 ( -15.490 -15.925 0.000) 22.216 9.895 ( 16.006 -4.164 0.000) 16.539 10.265 ( 1.558 2.046 0.000) 2.571 10.539 ( -19.794 -0.433 0.000) 19.798 11.182 ( -12.134 -1.590 0.000) 12.238 11.265 ( -11.256 -3.404 0.000) 11.760 11.336 ( -11.555 4.142 0.000) 12.275 11.863 ( -17.425 -9.746 0.000) 19.965 13.279 ( -8.711 1.887 0.000) 8.913 13.483 ( -16.515 -4.533 0.000) 17.126 13.959 ( -1.480 -0.003 0.000) 1.480 14.112 ( -2.222 -2.196 0.000) 3.124 16.342 ( 8.687 11.722 0.000) 14.590 16.746 ( 3.920 1.921 0.000) 4.366 16.797 ( 6.705 8.685 0.000) 10.972 17.186 ( 6.511 0.777 0.000) 6.557 18.347 ( 10.717 -4.506 0.000) 11.625 18.833 ( 8.319 -6.014 0.000) 10.265 18.973 ( -1.650 9.151 0.000) 9.299 20.129 ( -4.018 6.439 0.000) 7.590 21.743 ( 1.473 -7.144 0.000) 7.294 21.873 ( 1.107 -5.843 0.000) 5.947 ======================= Grid point 6 (7/147) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( 4.652 -1.919 0.000) 5.033 2.778 ( 4.183 -2.708 0.000) 4.983 3.622 ( 3.452 -1.738 0.000) 3.865 3.645 ( -0.325 1.914 0.000) 1.941 3.806 ( 2.614 0.613 0.000) 2.685 4.089 ( 3.755 0.697 0.000) 3.820 4.195 ( 1.663 -4.348 0.000) 4.655 4.440 ( 2.398 3.004 0.000) 3.844 4.704 ( 7.212 -15.693 0.000) 17.271 4.908 ( -2.062 17.664 0.000) 17.784 4.961 ( -1.253 -1.602 0.000) 2.034 5.468 ( 4.137 -16.770 0.000) 17.273 6.141 ( 3.132 16.672 0.000) 16.964 6.398 ( 1.627 0.973 0.000) 1.896 6.540 ( 1.647 -3.885 0.000) 4.220 6.963 ( 3.744 0.550 0.000) 3.784 7.349 ( 0.805 0.789 0.000) 1.127 7.662 ( 5.390 -0.877 0.000) 5.461 7.772 ( 5.987 2.985 0.000) 6.690 8.184 ( 7.717 -1.525 0.000) 7.867 8.526 ( 0.585 4.791 0.000) 4.827 8.785 ( 1.196 -3.019 0.000) 3.247 8.945 ( 7.012 -5.016 0.000) 8.622 9.158 ( 4.185 7.052 0.000) 8.201 9.345 ( -5.776 6.286 0.000) 8.536 9.493 ( 19.064 -5.955 0.000) 19.972 9.698 ( -1.396 -5.708 0.000) 5.876 10.081 ( -25.694 1.609 0.000) 25.744 10.211 ( 10.507 -4.060 0.000) 11.264 10.341 ( 5.386 2.493 0.000) 5.935 10.987 ( -7.902 -0.539 0.000) 7.921 11.128 ( -6.649 1.711 0.000) 6.865 11.185 ( -0.777 -1.343 0.000) 1.552 11.656 ( -8.094 -3.842 0.000) 8.960 13.154 ( -2.833 1.484 0.000) 3.199 13.271 ( -7.306 -2.429 0.000) 7.699 13.940 ( -0.559 -0.149 0.000) 0.579 14.092 ( -0.801 -0.607 0.000) 1.005 16.397 ( 2.881 4.019 0.000) 4.945 16.785 ( 1.208 0.574 0.000) 1.337 16.842 ( 2.358 3.049 0.000) 3.855 17.261 ( 2.049 0.352 0.000) 2.080 18.526 ( 4.802 -2.503 0.000) 5.415 18.889 ( -1.875 3.625 0.000) 4.081 18.976 ( 3.200 -2.461 0.000) 4.037 20.039 ( -1.748 2.589 0.000) 3.124 21.798 ( 0.609 -2.524 0.000) 2.597 21.916 ( 0.538 -1.823 0.000) 1.900 ======================= Grid point 14 (8/147) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 25.471 0.000 0.000) 25.471 1.201 ( 29.009 0.000 0.000) 29.009 2.134 ( 46.745 0.000 0.000) 46.745 2.528 ( 15.185 0.000 0.000) 15.185 3.130 ( 6.526 0.000 0.000) 6.526 3.325 ( 4.580 0.000 0.000) 4.580 3.351 ( 4.385 0.000 0.000) 4.385 3.667 ( 16.578 0.000 0.000) 16.578 4.171 ( 0.661 0.000 0.000) 0.661 4.450 ( 21.916 0.000 0.000) 21.916 4.958 ( 6.191 0.000 0.000) 6.191 5.340 ( 7.605 0.000 0.000) 7.605 5.376 ( 10.402 0.000 0.000) 10.402 5.643 ( 11.714 0.000 0.000) 11.714 5.882 ( 9.037 0.000 0.000) 9.037 5.887 ( 16.378 0.000 0.000) 16.378 6.113 ( 18.880 0.000 0.000) 18.880 6.128 ( 34.489 0.000 0.000) 34.489 6.927 ( 10.824 0.000 0.000) 10.824 7.079 ( 13.827 0.000 0.000) 13.827 7.467 ( 0.094 0.000 0.000) 0.094 8.158 ( 10.571 0.000 0.000) 10.571 8.336 ( 5.989 0.000 0.000) 5.989 8.645 ( -9.925 -0.000 0.000) 9.925 9.495 ( -4.726 -0.000 0.000) 4.726 9.624 ( -14.010 -0.000 0.000) 14.010 10.305 ( -6.672 -0.000 0.000) 6.672 10.452 ( -15.435 -0.000 0.000) 15.435 10.951 ( -13.460 -0.000 0.000) 13.460 11.153 ( -10.423 -0.000 0.000) 10.423 12.063 ( -19.028 -0.000 0.000) 19.028 12.356 ( -11.564 -0.000 0.000) 11.564 12.384 ( -16.803 -0.000 0.000) 16.803 12.459 ( -32.232 -0.000 0.000) 32.232 13.843 ( 15.187 0.000 0.000) 15.187 13.936 ( -9.393 -0.000 0.000) 9.393 14.140 ( -3.171 -0.000 0.000) 3.171 14.278 ( -11.109 -0.000 0.000) 11.109 16.186 ( 31.315 0.000 0.000) 31.315 16.250 ( 2.596 0.000 0.000) 2.596 16.375 ( 12.668 0.000 0.000) 12.668 16.464 ( 13.353 0.000 0.000) 13.353 17.397 ( 15.216 0.000 0.000) 15.216 18.063 ( 8.079 0.000 0.000) 8.079 19.744 ( -6.288 -0.000 0.000) 6.288 20.588 ( -4.132 -0.000 0.000) 4.132 21.150 ( 4.401 0.000 0.000) 4.401 21.456 ( 3.871 0.000 0.000) 3.871 ======================= Grid point 15 (9/147) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 27.551 -13.187 0.000) 30.544 1.724 ( 24.544 -3.787 0.000) 24.834 2.841 ( 17.122 -1.276 0.000) 17.169 2.920 ( 34.862 -3.875 0.000) 35.077 3.294 ( 10.668 0.495 0.000) 10.679 3.459 ( 7.944 -4.452 0.000) 9.107 3.482 ( 8.622 -0.719 0.000) 8.652 4.000 ( 18.276 1.731 0.000) 18.358 4.168 ( -0.404 0.307 0.000) 0.508 4.756 ( 10.195 7.498 0.000) 12.655 4.999 ( -1.994 -8.803 0.000) 9.026 5.397 ( 7.508 17.530 0.000) 19.070 5.657 ( 9.404 -17.029 0.000) 19.454 5.942 ( 19.945 6.489 0.000) 20.974 6.058 ( 18.091 14.415 0.000) 23.131 6.266 ( 14.900 -14.582 0.000) 20.848 6.587 ( 30.016 3.532 0.000) 30.223 6.801 ( 34.406 2.866 0.000) 34.525 7.131 ( 9.126 -5.042 0.000) 10.426 7.357 ( 15.990 9.169 0.000) 18.432 7.550 ( 9.145 -9.559 0.000) 13.229 8.373 ( 9.446 -4.311 0.000) 10.383 8.500 ( 8.611 6.495 0.000) 10.786 8.569 ( 7.398 -2.915 0.000) 7.952 9.326 ( -15.546 2.699 0.000) 15.778 9.430 ( -0.672 -0.115 0.000) 0.682 10.132 ( -10.869 1.322 0.000) 10.949 10.136 ( -20.061 -6.698 0.000) 21.150 10.655 ( -15.995 0.613 0.000) 16.006 10.954 ( -10.809 -1.804 0.000) 10.958 11.707 ( -17.856 -0.187 0.000) 17.857 11.966 ( -19.567 1.717 0.000) 19.642 11.988 ( -18.819 6.970 0.000) 20.069 12.182 ( -15.561 -12.938 0.000) 20.237 13.733 ( -11.593 0.420 0.000) 11.600 14.034 ( -15.327 -1.867 0.000) 15.441 14.035 ( 4.829 -1.886 0.000) 5.184 14.075 ( -3.214 0.825 0.000) 3.318 16.335 ( 8.672 8.226 0.000) 11.953 16.570 ( 10.711 3.969 0.000) 11.423 16.692 ( 11.363 3.450 0.000) 11.875 16.702 ( 20.682 -2.074 0.000) 20.786 17.703 ( 16.623 -1.126 0.000) 16.662 18.260 ( 11.300 -2.844 0.000) 11.653 19.536 ( -5.507 18.848 0.000) 19.636 20.488 ( -5.308 2.889 0.000) 6.044 21.306 ( 3.569 -15.544 0.000) 15.949 21.557 ( 4.940 -4.066 0.000) 6.398 ======================= Grid point 16 (10/147) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 25.912 -9.809 0.000) 27.706 2.172 ( 19.384 -4.825 0.000) 19.976 3.164 ( 14.899 -2.853 0.000) 15.169 3.504 ( 16.283 0.687 0.000) 16.297 3.526 ( 20.505 -6.348 0.000) 21.466 3.624 ( 6.763 -0.910 0.000) 6.823 3.703 ( 10.196 -8.274 0.000) 13.130 4.175 ( 1.881 -1.171 0.000) 2.215 4.301 ( 14.828 4.255 0.000) 15.427 4.778 ( 0.975 4.437 0.000) 4.543 5.029 ( -3.735 -11.189 0.000) 11.796 5.383 ( 4.486 19.267 0.000) 19.782 5.946 ( 7.782 -19.034 0.000) 20.563 6.217 ( 13.876 8.763 0.000) 16.411 6.344 ( 19.875 13.094 0.000) 23.800 6.622 ( 14.739 -4.511 0.000) 15.414 7.083 ( 23.411 6.335 0.000) 24.253 7.247 ( 13.065 3.203 0.000) 13.452 7.407 ( 16.087 -11.959 0.000) 20.045 7.561 ( 18.166 15.107 0.000) 23.627 7.988 ( 24.670 -12.370 0.000) 27.597 8.535 ( 3.067 -7.599 0.000) 8.195 8.634 ( 11.758 0.085 0.000) 11.758 8.877 ( 17.376 7.063 0.000) 18.756 9.045 ( -7.667 4.464 0.000) 8.871 9.524 ( 10.733 -0.495 0.000) 10.745 9.809 ( -20.644 -12.297 0.000) 24.029 9.906 ( -10.678 2.523 0.000) 10.972 10.390 ( -10.153 1.545 0.000) 10.270 10.772 ( -10.292 -1.984 0.000) 10.481 11.403 ( -14.612 -0.812 0.000) 14.634 11.573 ( -20.680 2.545 0.000) 20.836 11.651 ( -13.396 2.790 0.000) 13.683 11.956 ( -16.991 -11.695 0.000) 20.627 13.505 ( -11.623 0.823 0.000) 11.652 13.733 ( -17.867 -2.992 0.000) 18.116 14.012 ( -2.619 1.042 0.000) 2.819 14.084 ( -0.428 -2.673 0.000) 2.707 16.434 ( 7.803 10.052 0.000) 12.725 16.702 ( 5.829 2.292 0.000) 6.264 16.836 ( 7.144 5.683 0.000) 9.128 17.026 ( 13.206 0.781 0.000) 13.229 18.026 ( 15.763 -1.910 0.000) 15.879 18.510 ( 11.809 -4.793 0.000) 12.745 19.314 ( -4.807 16.430 0.000) 17.119 20.354 ( -6.004 4.471 0.000) 7.486 21.473 ( 3.537 -13.181 0.000) 13.648 21.685 ( 4.959 -5.108 0.000) 7.119 ======================= Grid point 17 (11/147) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 20.391 -1.608 0.000) 20.454 2.519 ( 13.941 -4.145 0.000) 14.544 3.423 ( 9.749 -3.577 0.000) 10.385 3.701 ( 1.390 2.074 0.000) 2.497 3.714 ( 9.176 0.564 0.000) 9.193 3.928 ( 14.187 -3.605 0.000) 14.638 3.930 ( 6.236 -10.832 0.000) 12.499 4.291 ( 7.587 -6.157 0.000) 9.771 4.487 ( 8.672 6.312 0.000) 10.726 4.822 ( 2.781 -7.141 0.000) 7.664 5.021 ( -3.661 -11.550 0.000) 12.117 5.304 ( 1.475 19.573 0.000) 19.628 6.203 ( 5.073 -18.901 0.000) 19.570 6.355 ( 5.987 4.576 0.000) 7.535 6.544 ( 12.450 20.898 0.000) 24.325 6.867 ( 10.673 2.565 0.000) 10.977 7.351 ( 2.254 0.944 0.000) 2.444 7.417 ( 14.826 -1.323 0.000) 14.885 7.788 ( 15.391 16.361 0.000) 22.463 7.835 ( 18.501 -7.441 0.000) 19.942 8.510 ( 19.539 -9.744 0.000) 21.834 8.629 ( 2.686 -7.881 0.000) 8.326 8.731 ( -6.003 7.851 0.000) 9.883 8.991 ( 17.806 -4.906 0.000) 18.469 9.211 ( 10.582 8.912 0.000) 13.835 9.581 ( -9.975 -14.110 0.000) 17.280 9.660 ( -7.297 6.298 0.000) 9.639 9.844 ( 14.745 -3.211 0.000) 15.091 10.291 ( 1.496 1.658 0.000) 2.233 10.536 ( -17.682 -0.058 0.000) 17.682 11.158 ( -12.371 -1.610 0.000) 12.476 11.247 ( -9.845 0.687 0.000) 9.869 11.389 ( -12.324 3.254 0.000) 12.746 11.722 ( -14.803 -10.091 0.000) 17.915 13.303 ( -8.421 1.532 0.000) 8.559 13.427 ( -15.719 -3.472 0.000) 16.098 13.965 ( -1.534 0.801 0.000) 1.731 14.081 ( -1.174 -2.149 0.000) 2.449 16.476 ( 2.877 7.345 0.000) 7.889 16.769 ( 2.748 1.309 0.000) 3.044 16.889 ( 2.530 4.778 0.000) 5.407 17.204 ( 6.948 1.719 0.000) 7.158 18.307 ( 12.351 -1.483 0.000) 12.440 18.753 ( 9.672 -5.231 0.000) 10.996 19.130 ( -4.173 12.323 0.000) 13.010 20.206 ( -6.030 4.499 0.000) 7.523 21.620 ( 3.493 -9.851 0.000) 10.452 21.805 ( 4.293 -3.767 0.000) 5.712 ======================= Grid point 18 (12/147) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 11.141 5.914 0.000) 12.614 2.749 ( 7.877 -1.581 0.000) 8.034 3.576 ( 3.694 -3.907 0.000) 5.377 3.667 ( -2.681 1.315 0.000) 2.986 3.826 ( 3.036 1.187 0.000) 3.260 4.088 ( 3.282 -8.963 0.000) 9.545 4.107 ( 4.495 1.472 0.000) 4.730 4.481 ( 4.778 -6.015 0.000) 7.681 4.561 ( 4.335 2.103 0.000) 4.818 4.899 ( -0.701 -7.161 0.000) 7.196 5.149 ( 4.307 -22.742 0.000) 23.146 5.165 ( -2.180 19.260 0.000) 19.383 6.386 ( 1.127 -16.601 0.000) 16.640 6.396 ( 1.656 3.766 0.000) 4.114 6.514 ( 1.804 25.952 0.000) 26.014 6.991 ( 4.217 3.270 0.000) 5.337 7.364 ( 0.262 0.899 0.000) 0.937 7.631 ( 5.219 -3.080 0.000) 6.060 7.894 ( 6.154 13.176 0.000) 14.543 8.137 ( 7.910 -5.205 0.000) 9.469 8.579 ( -5.720 2.851 0.000) 6.391 8.721 ( 3.591 -5.553 0.000) 6.613 8.852 ( 8.283 -7.908 0.000) 11.452 9.135 ( -11.465 -9.362 0.000) 14.802 9.444 ( -8.291 7.178 0.000) 10.966 9.460 ( 25.912 0.918 0.000) 25.928 9.658 ( 8.638 -0.104 0.000) 8.638 10.104 ( -24.721 1.592 0.000) 24.772 10.157 ( 12.117 -3.458 0.000) 12.601 10.377 ( 5.728 2.462 0.000) 6.235 10.967 ( -7.894 -1.958 0.000) 8.133 11.158 ( -8.456 2.299 0.000) 8.763 11.194 ( 2.583 2.638 0.000) 3.691 11.583 ( -4.372 -6.680 0.000) 7.983 13.165 ( -5.704 -0.012 0.000) 5.704 13.248 ( -3.097 -0.734 0.000) 3.183 13.944 ( -0.128 0.715 0.000) 0.727 14.078 ( -0.226 -1.282 0.000) 1.302 16.441 ( -2.925 2.342 0.000) 3.747 16.792 ( 0.355 0.388 0.000) 0.526 16.870 ( -2.421 0.996 0.000) 2.617 17.277 ( 2.158 1.708 0.000) 2.752 18.503 ( 7.306 -0.587 0.000) 7.330 18.932 ( 5.531 -3.669 0.000) 6.637 18.984 ( -3.243 9.231 0.000) 9.784 20.076 ( -4.732 2.576 0.000) 5.388 21.736 ( 2.823 -5.985 0.000) 6.618 21.894 ( 3.085 -1.390 0.000) 3.384 ======================= Grid point 19 (13/147) ======================= q-point: (-0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( 1.216 10.519 0.000) 10.589 2.822 ( 0.146 3.502 0.000) 3.505 3.610 ( -3.006 -3.011 0.000) 4.255 3.615 ( -2.632 -2.385 0.000) 3.552 3.821 ( -2.064 1.896 0.000) 2.803 4.097 ( -3.908 2.013 0.000) 4.396 4.169 ( -0.676 -6.269 0.000) 6.305 4.478 ( -1.845 6.133 0.000) 6.404 4.685 ( 1.568 -13.589 0.000) 13.679 4.940 ( 1.143 -4.568 0.000) 4.709 4.946 ( -7.216 18.785 0.000) 20.124 5.388 ( 2.027 -22.799 0.000) 22.888 6.247 ( -7.773 26.366 0.000) 27.487 6.396 ( -2.149 0.810 0.000) 2.296 6.472 ( -2.902 -12.923 0.000) 13.245 6.976 ( -3.538 2.336 0.000) 4.239 7.353 ( -0.906 1.133 0.000) 1.451 7.651 ( -5.169 -2.414 0.000) 5.705 7.823 ( -5.296 9.557 0.000) 10.926 8.180 ( -6.646 -2.081 0.000) 6.964 8.449 ( -8.586 -6.075 0.000) 10.518 8.795 ( 0.376 -1.406 0.000) 1.456 8.965 ( -0.825 -2.707 0.000) 2.830 8.989 ( -13.064 -15.403 0.000) 20.197 9.303 ( -1.185 0.850 0.000) 1.458 9.587 ( -17.056 6.846 0.000) 18.378 9.795 ( 9.883 7.323 0.000) 12.300 10.061 ( 26.763 -1.330 0.000) 26.796 10.252 ( -4.904 0.874 0.000) 4.981 10.325 ( -8.985 1.114 0.000) 9.054 10.974 ( 7.565 -2.190 0.000) 7.876 11.118 ( 5.350 0.237 0.000) 5.355 11.228 ( 4.087 4.551 0.000) 6.117 11.687 ( 12.254 0.636 0.000) 12.271 13.130 ( 1.893 -1.839 0.000) 2.640 13.308 ( 9.592 2.767 0.000) 9.983 13.949 ( 1.155 1.082 0.000) 1.582 14.094 ( 1.385 -0.319 0.000) 1.421 16.336 ( -8.904 -4.454 0.000) 9.956 16.777 ( -2.064 -0.589 0.000) 2.147 16.787 ( -7.565 -4.712 0.000) 8.912 17.268 ( -1.938 1.235 0.000) 2.298 18.564 ( -1.122 2.689 0.000) 2.914 18.897 ( -0.364 4.490 0.000) 4.504 18.995 ( -0.432 0.273 0.000) 0.511 20.008 ( -1.764 -1.759 0.000) 2.491 21.805 ( 1.694 -1.256 0.000) 2.109 21.940 ( 1.826 1.372 0.000) 2.284 ======================= Grid point 20 (14/147) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( -5.957 14.155 0.000) 15.358 2.703 ( -7.894 8.808 0.000) 11.828 3.502 ( -9.431 -0.696 0.000) 9.456 3.603 ( -1.991 -5.351 0.000) 5.709 3.719 ( -7.448 3.091 0.000) 8.064 3.950 ( -10.339 -0.192 0.000) 10.341 4.144 ( -5.218 -3.112 0.000) 6.076 4.366 ( -5.660 5.996 0.000) 8.246 4.633 ( -11.787 16.570 0.000) 20.335 4.785 ( -2.264 -16.547 0.000) 16.702 4.988 ( 0.376 -1.629 0.000) 1.672 5.459 ( -4.215 2.491 0.000) 4.896 5.926 ( -12.334 0.086 0.000) 12.334 6.305 ( -8.303 0.536 0.000) 8.321 6.452 ( -6.795 -7.921 0.000) 10.436 6.845 ( -8.113 1.038 0.000) 8.180 7.280 ( -7.999 1.033 0.000) 8.065 7.458 ( -16.114 -0.133 0.000) 16.115 7.607 ( -9.727 5.077 0.000) 10.972 7.936 ( -17.511 0.089 0.000) 17.512 8.405 ( -3.615 -15.476 0.000) 15.892 8.662 ( -17.071 0.840 0.000) 17.092 8.816 ( -16.582 -15.794 0.000) 22.900 8.899 ( 1.039 9.467 0.000) 9.524 9.218 ( -15.331 8.010 0.000) 17.297 9.431 ( 8.442 -8.944 0.000) 12.299 9.958 ( -17.337 4.821 0.000) 17.995 9.997 ( 17.990 12.747 0.000) 22.049 10.236 ( -1.254 -1.992 0.000) 2.354 10.547 ( 22.395 0.704 0.000) 22.406 11.190 ( 12.293 -0.929 0.000) 12.328 11.288 ( 10.547 -2.088 0.000) 10.751 11.341 ( 13.144 7.434 0.000) 15.101 11.980 ( 20.394 6.904 0.000) 21.531 13.252 ( 8.902 -1.961 0.000) 9.115 13.548 ( 17.507 4.649 0.000) 18.114 13.968 ( 1.596 1.340 0.000) 2.084 14.138 ( 3.664 1.424 0.000) 3.931 16.168 ( -15.109 -12.780 0.000) 19.789 16.654 ( -12.291 -11.613 0.000) 16.910 16.718 ( -5.123 -1.912 0.000) 5.468 17.186 ( -6.092 0.774 0.000) 6.141 18.427 ( -8.929 6.652 0.000) 11.134 18.895 ( -0.092 -2.045 0.000) 2.047 18.910 ( -6.404 4.839 0.000) 8.026 20.035 ( 1.178 -6.877 0.000) 6.977 21.815 ( 0.340 3.658 0.000) 3.674 21.951 ( 1.803 4.720 0.000) 5.052 ======================= Grid point 21 (15/147) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( -9.673 19.185 0.000) 21.486 2.418 ( -14.193 12.323 0.000) 18.796 3.273 ( -14.070 2.519 0.000) 14.294 3.490 ( -13.701 2.372 0.000) 13.905 3.588 ( -3.754 -4.276 0.000) 5.690 3.708 ( -15.623 2.652 0.000) 15.847 4.017 ( -9.342 1.590 0.000) 9.477 4.149 ( -13.003 6.266 0.000) 14.434 4.332 ( -8.090 9.414 0.000) 12.412 4.845 ( -4.511 -18.896 0.000) 19.427 4.886 ( -10.065 8.237 0.000) 13.006 5.299 ( -2.576 8.543 0.000) 8.922 5.790 ( -13.752 -21.506 0.000) 25.527 6.044 ( -18.138 0.995 0.000) 18.165 6.327 ( -9.384 -0.826 0.000) 9.420 6.686 ( -8.033 0.794 0.000) 8.072 6.979 ( -23.194 -3.198 0.000) 23.413 7.066 ( -23.991 1.564 0.000) 24.042 7.452 ( -4.888 3.550 0.000) 6.042 7.606 ( -15.038 1.865 0.000) 15.154 8.213 ( -25.848 3.796 0.000) 26.125 8.424 ( -12.777 -18.281 0.000) 22.303 8.636 ( -8.882 -8.235 0.000) 12.112 8.860 ( 0.768 13.587 0.000) 13.609 8.962 ( -3.320 1.377 0.000) 3.594 9.528 ( -8.448 -1.317 0.000) 8.551 9.780 ( 6.613 -5.106 0.000) 8.354 10.277 ( 21.731 16.752 0.000) 27.438 10.334 ( 10.259 -1.978 0.000) 10.448 10.881 ( 15.756 5.522 0.000) 16.696 11.436 ( 14.007 1.042 0.000) 14.045 11.529 ( 12.500 -4.878 0.000) 13.418 11.610 ( 18.871 6.338 0.000) 19.907 12.334 ( 23.366 12.483 0.000) 26.491 13.467 ( 11.831 -1.746 0.000) 11.959 13.867 ( 19.144 5.889 0.000) 20.030 13.987 ( 0.995 0.121 0.000) 1.003 14.201 ( 4.629 5.118 0.000) 6.901 15.952 ( -19.630 -21.744 0.000) 29.294 16.494 ( -15.243 -18.481 0.000) 23.957 16.602 ( -9.581 -3.936 0.000) 10.358 17.022 ( -10.722 0.875 0.000) 10.758 18.157 ( -14.156 7.395 0.000) 15.971 18.705 ( -10.035 7.747 0.000) 12.677 18.893 ( -4.281 -8.555 0.000) 9.566 20.134 ( 2.561 -10.452 0.000) 10.761 21.771 ( -0.755 7.343 0.000) 7.382 21.954 ( 4.108 9.775 0.000) 10.603 ======================= Grid point 22 (16/147) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -11.263 25.453 0.000) 27.833 2.005 ( -19.142 15.191 0.000) 24.437 2.937 ( -18.322 4.975 0.000) 18.985 3.182 ( -21.414 8.129 0.000) 22.905 3.304 ( -16.959 6.235 0.000) 18.069 3.503 ( -7.391 -0.811 0.000) 7.435 3.745 ( -11.147 12.559 0.000) 16.793 3.890 ( -13.777 -4.199 0.000) 14.403 4.186 ( -3.649 3.324 0.000) 4.936 4.606 ( -14.064 1.311 0.000) 14.125 4.870 ( -7.029 -19.703 0.000) 20.919 5.214 ( -6.791 -1.204 0.000) 6.897 5.577 ( -23.602 -16.029 0.000) 28.530 5.733 ( -11.248 -2.954 0.000) 11.629 6.115 ( -9.642 10.441 0.000) 14.212 6.475 ( -19.890 -1.998 0.000) 19.990 6.530 ( -27.423 -10.511 0.000) 29.368 6.606 ( -14.317 9.055 0.000) 16.940 7.253 ( -16.855 3.026 0.000) 17.124 7.330 ( -13.408 5.385 0.000) 14.449 7.769 ( -13.912 4.261 0.000) 14.550 8.214 ( -15.083 -14.483 0.000) 20.910 8.578 ( -0.181 -1.386 0.000) 1.398 8.675 ( -9.116 15.330 0.000) 17.836 9.129 ( 12.968 -10.203 0.000) 16.501 9.434 ( 0.428 -0.043 0.000) 0.431 10.021 ( 11.071 -6.458 0.000) 12.817 10.569 ( 22.037 19.511 0.000) 29.433 10.616 ( 16.559 -1.875 0.000) 16.665 11.098 ( 12.977 8.554 0.000) 15.543 11.719 ( 16.744 0.572 0.000) 16.754 11.853 ( 18.945 -5.342 0.000) 19.683 11.918 ( 16.286 2.872 0.000) 16.537 12.662 ( 21.504 17.973 0.000) 28.026 13.702 ( 11.385 -1.657 0.000) 11.505 14.007 ( -0.032 -2.925 0.000) 2.925 14.165 ( 16.519 6.654 0.000) 17.809 14.188 ( -2.836 8.170 0.000) 8.648 15.778 ( -14.782 -27.718 0.000) 31.414 16.345 ( -15.048 -21.970 0.000) 26.629 16.396 ( -16.578 -6.548 0.000) 17.824 16.766 ( -15.117 2.013 0.000) 15.251 17.801 ( -18.212 5.840 0.000) 19.126 18.447 ( -10.541 8.977 0.000) 13.846 18.842 ( -10.973 -17.771 0.000) 20.886 20.267 ( 3.037 -12.190 0.000) 12.563 21.694 ( -1.069 9.575 0.000) 9.635 21.984 ( 9.237 16.956 0.000) 19.309 ======================= Grid point 23 (17/147) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -22.251 18.548 0.000) 28.968 1.537 ( -13.590 29.122 0.000) 32.137 2.414 ( -34.727 22.356 0.000) 41.301 2.614 ( -17.987 8.351 0.000) 19.831 3.105 ( -6.546 -1.245 0.000) 6.663 3.332 ( -9.086 0.200 0.000) 9.088 3.513 ( -6.254 8.042 0.000) 10.188 3.668 ( -10.057 1.671 0.000) 10.195 4.122 ( -3.333 -2.511 0.000) 4.173 4.302 ( -20.976 -6.326 0.000) 21.909 4.851 ( -9.108 -19.972 0.000) 21.951 5.011 ( -14.913 -1.808 0.000) 15.022 5.315 ( -13.645 -18.087 0.000) 22.657 5.599 ( -6.718 -4.226 0.000) 7.937 5.811 ( -11.281 18.269 0.000) 21.471 6.023 ( -22.402 1.286 0.000) 22.438 6.122 ( -22.296 -5.341 0.000) 22.927 6.394 ( -4.348 13.197 0.000) 13.895 6.863 ( -20.075 -6.657 0.000) 21.150 6.997 ( -16.758 4.795 0.000) 17.431 7.616 ( -1.919 5.147 0.000) 5.493 8.142 ( -3.043 -11.437 0.000) 11.835 8.376 ( -10.181 14.104 0.000) 17.394 8.675 ( 9.293 -1.140 0.000) 9.362 9.471 ( 13.850 -10.525 0.000) 17.395 9.495 ( 4.454 -0.016 0.000) 4.454 10.240 ( 7.483 -4.607 0.000) 8.788 10.834 ( 20.949 21.223 0.000) 29.821 10.925 ( 13.337 -1.775 0.000) 13.455 11.265 ( 10.626 7.825 0.000) 13.196 12.059 ( 18.523 -0.420 0.000) 18.527 12.179 ( 12.399 -0.658 0.000) 12.417 12.351 ( 29.812 -6.115 0.000) 30.433 12.864 ( 12.675 19.063 0.000) 22.892 13.886 ( -19.982 1.075 0.000) 20.011 13.909 ( 8.940 -1.771 0.000) 9.114 14.085 ( 0.655 -3.392 0.000) 3.455 14.394 ( 12.631 7.192 0.000) 14.536 15.821 ( 0.108 -23.492 0.000) 23.493 16.041 ( -26.472 -7.118 0.000) 27.412 16.237 ( -10.202 -17.099 0.000) 19.911 16.443 ( -16.356 2.688 0.000) 16.575 17.413 ( -19.228 1.540 0.000) 19.290 18.205 ( -7.995 8.835 0.000) 11.916 18.702 ( -22.570 -30.699 0.000) 38.103 20.410 ( 2.968 -12.194 0.000) 12.550 21.604 ( -1.001 10.650 0.000) 10.697 22.093 ( 19.059 26.177 0.000) 32.380 ======================= Grid point 24 (18/147) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -20.897 24.271 0.000) 32.028 0.990 ( -31.059 16.380 0.000) 35.113 1.542 ( -24.758 49.340 0.000) 55.203 2.319 ( -9.953 3.002 0.000) 10.396 3.037 ( -1.852 -1.095 0.000) 2.152 3.213 ( -4.592 -4.169 0.000) 6.202 3.372 ( -3.684 5.589 0.000) 6.694 3.506 ( -3.608 7.225 0.000) 8.076 3.942 ( -19.634 -6.987 0.000) 20.840 4.085 ( -3.368 -5.243 0.000) 6.231 4.743 ( -12.961 -2.318 0.000) 13.166 4.829 ( -6.999 -20.201 0.000) 21.380 5.304 ( -3.309 -21.542 0.000) 21.794 5.504 ( -7.462 14.687 0.000) 16.474 5.522 ( -4.519 -4.243 0.000) 6.199 5.681 ( -11.671 2.599 0.000) 11.957 5.736 ( -15.083 11.328 0.000) 18.863 6.231 ( -1.557 17.820 0.000) 17.888 6.680 ( -8.365 -16.258 0.000) 18.284 6.681 ( -14.186 0.850 0.000) 14.211 7.565 ( -0.052 5.485 0.000) 5.485 8.129 ( -5.843 12.356 0.000) 13.668 8.197 ( 1.081 -7.044 0.000) 7.127 8.906 ( 12.717 -1.299 0.000) 12.784 9.570 ( 2.960 -0.265 0.000) 2.971 9.753 ( 8.346 -7.907 0.000) 11.497 10.366 ( 3.283 -2.746 0.000) 4.280 11.100 ( 26.330 24.770 0.000) 36.150 11.120 ( 6.079 -1.551 0.000) 6.274 11.384 ( 6.602 5.933 0.000) 8.877 12.378 ( 13.274 -0.536 0.000) 13.284 12.412 ( 10.492 -4.785 0.000) 11.532 12.869 ( -1.063 10.124 0.000) 10.179 13.023 ( 32.448 -9.342 0.000) 33.766 13.365 ( -37.061 -7.768 0.000) 37.866 14.063 ( 6.085 -2.273 0.000) 6.496 14.150 ( 2.147 -4.149 0.000) 4.671 14.545 ( 9.041 8.209 0.000) 12.212 15.505 ( -31.942 -2.918 0.000) 32.075 16.032 ( 5.799 -12.313 0.000) 13.610 16.152 ( -11.832 0.950 0.000) 11.870 16.230 ( 4.192 -3.218 0.000) 5.284 17.096 ( -13.515 -3.539 0.000) 13.971 18.034 ( -3.960 7.496 0.000) 8.478 18.333 ( -47.645 -44.313 0.000) 65.066 20.538 ( 1.988 -10.530 0.000) 10.716 21.513 ( -0.784 10.368 0.000) 10.397 22.407 ( 38.581 33.232 0.000) 50.920 ======================= Grid point 25 (19/147) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.218 ( 0.000 15.555 0.000) 15.555 0.467 ( 0.000 33.499 0.000) 33.499 0.925 ( 0.000 66.326 0.000) 66.326 2.207 ( 0.000 1.637 0.000) 1.637 3.031 ( -0.000 -0.715 0.000) 0.715 3.211 ( -0.000 -7.015 0.000) 7.015 3.300 ( 0.000 5.027 0.000) 5.027 3.424 ( 0.000 7.882 0.000) 7.882 3.738 ( -0.000 -2.637 0.000) 2.637 4.082 ( -0.000 -4.390 0.000) 4.390 4.622 ( -0.000 -1.826 0.000) 1.826 4.898 ( -0.000 -20.104 0.000) 20.104 5.358 ( 0.000 8.626 0.000) 8.626 5.435 ( -0.000 -19.949 0.000) 19.949 5.469 ( 0.000 17.875 0.000) 17.875 5.497 ( -0.000 -3.026 0.000) 3.026 5.560 ( -0.000 -1.465 0.000) 1.465 6.090 ( 0.000 20.151 0.000) 20.151 6.467 ( 0.000 4.280 0.000) 4.280 6.717 ( -0.000 -14.521 0.000) 14.521 7.529 ( 0.000 5.211 0.000) 5.211 7.996 ( 0.000 9.207 0.000) 9.207 8.253 ( -0.000 -3.985 0.000) 3.985 9.100 ( -0.000 -4.483 0.000) 4.483 9.601 ( -0.000 -0.275 0.000) 0.275 9.877 ( -0.000 -5.079 0.000) 5.079 10.410 ( -0.000 -1.593 0.000) 1.593 11.185 ( -0.000 -1.078 0.000) 1.078 11.415 ( 0.000 4.126 0.000) 4.126 11.628 ( 0.000 4.538 0.000) 4.538 12.424 ( -0.000 -0.091 0.000) 0.091 12.515 ( -0.000 -0.346 0.000) 0.346 12.745 ( 0.000 0.085 0.000) 0.085 12.763 ( 0.000 2.527 0.000) 2.527 13.475 ( -0.000 -10.673 0.000) 10.673 14.164 ( -0.000 -4.069 0.000) 4.069 14.197 ( -0.000 -2.649 0.000) 2.649 14.595 ( 0.000 10.448 0.000) 10.448 15.095 ( -0.000 -0.163 0.000) 0.163 16.029 ( 0.000 0.014 0.000) 0.014 16.132 ( -0.000 -0.992 0.000) 0.992 16.431 ( -0.000 -0.132 0.000) 0.132 17.011 ( -0.000 -0.047 0.000) 0.047 17.573 ( -0.000 -9.977 0.000) 9.977 17.952 ( 0.000 5.403 0.000) 5.403 20.621 ( -0.000 -7.497 0.000) 7.497 21.439 ( 0.000 8.143 0.000) 8.143 23.005 ( -0.000 -2.673 0.000) 2.673 ======================= Grid point 28 (20/147) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 30.349 0.000 0.000) 30.349 2.138 ( 20.210 0.000 0.000) 20.210 3.144 ( 15.001 0.000 0.000) 15.001 3.473 ( 24.347 0.000 0.000) 24.347 3.515 ( 12.597 0.000 0.000) 12.597 3.609 ( 9.419 0.000 0.000) 9.419 3.650 ( 8.118 0.000 0.000) 8.118 4.167 ( 0.995 0.000 0.000) 0.995 4.332 ( 15.192 0.000 0.000) 15.192 4.866 ( -5.016 -0.000 0.000) 5.016 4.896 ( 0.688 0.000 0.000) 0.688 5.599 ( 3.828 0.000 0.000) 3.828 5.730 ( 8.171 0.000 0.000) 8.171 6.287 ( 10.667 0.000 0.000) 10.667 6.448 ( 18.126 0.000 0.000) 18.126 6.570 ( 21.717 0.000 0.000) 21.717 7.199 ( 30.687 0.000 0.000) 30.687 7.253 ( 7.703 0.000 0.000) 7.703 7.263 ( 10.595 0.000 0.000) 10.595 7.769 ( 18.483 0.000 0.000) 18.483 7.808 ( 27.055 0.000 0.000) 27.055 8.480 ( 3.579 0.000 0.000) 3.579 8.632 ( 11.259 0.000 0.000) 11.259 8.927 ( 16.539 0.000 0.000) 16.539 9.080 ( -6.271 -0.000 0.000) 6.271 9.520 ( 10.654 0.000 0.000) 10.654 9.719 ( -21.173 -0.000 0.000) 21.173 9.923 ( -10.742 -0.000 0.000) 10.742 10.402 ( -10.126 -0.000 0.000) 10.126 10.758 ( -9.535 -0.000 0.000) 9.535 11.397 ( -14.776 -0.000 0.000) 14.776 11.602 ( -22.210 -0.000 0.000) 22.210 11.670 ( -13.552 -0.000 0.000) 13.552 11.862 ( -14.660 -0.000 0.000) 14.660 13.511 ( -11.557 -0.000 0.000) 11.557 13.711 ( -17.680 -0.000 0.000) 17.680 14.020 ( -2.716 -0.000 0.000) 2.716 14.064 ( -0.049 -0.000 0.000) 0.049 16.504 ( 5.563 0.000 0.000) 5.563 16.718 ( 5.018 0.000 0.000) 5.018 16.874 ( 6.358 0.000 0.000) 6.358 17.033 ( 13.802 0.000 0.000) 13.802 18.014 ( 16.244 0.000 0.000) 16.244 18.476 ( 12.073 0.000 0.000) 12.073 19.444 ( -8.574 -0.000 0.000) 8.574 20.385 ( -6.472 -0.000 0.000) 6.472 21.366 ( 6.500 0.000 0.000) 6.500 21.651 ( 6.003 0.000 0.000) 6.003 ======================= Grid point 29 (21/147) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 26.519 0.300 0.000) 26.520 2.481 ( 15.377 -1.390 0.000) 15.440 3.390 ( 10.115 -1.161 0.000) 10.181 3.709 ( 8.266 -0.953 0.000) 8.321 3.729 ( 1.639 2.158 0.000) 2.710 3.809 ( 7.696 -5.927 0.000) 9.714 3.881 ( 16.486 -2.082 0.000) 16.617 4.236 ( 5.730 -1.890 0.000) 6.033 4.552 ( 8.813 2.577 0.000) 9.182 4.790 ( -0.854 1.894 0.000) 2.078 4.887 ( -4.091 -7.582 0.000) 8.615 5.565 ( 0.977 16.429 0.000) 16.458 5.941 ( 5.383 -16.722 0.000) 17.567 6.397 ( 3.349 1.570 0.000) 3.699 6.754 ( 14.879 8.103 0.000) 16.942 6.903 ( 12.998 1.882 0.000) 13.134 7.356 ( 1.916 0.049 0.000) 1.917 7.423 ( 11.685 1.807 0.000) 11.824 7.729 ( 20.787 -6.132 0.000) 21.673 8.006 ( 12.738 12.412 0.000) 17.785 8.365 ( 22.044 -9.457 0.000) 23.987 8.553 ( 4.139 -2.914 0.000) 5.061 8.806 ( -9.775 2.857 0.000) 10.184 8.938 ( 17.872 -2.246 0.000) 18.012 9.314 ( -1.442 5.969 0.000) 6.140 9.424 ( 3.928 -8.157 0.000) 9.054 9.726 ( -7.964 3.033 0.000) 8.522 9.807 ( 15.675 -1.976 0.000) 15.799 10.308 ( 1.270 0.664 0.000) 1.433 10.536 ( -16.575 0.050 0.000) 16.575 11.142 ( -12.614 -0.645 0.000) 12.630 11.270 ( -8.674 1.695 0.000) 8.838 11.421 ( -12.763 1.202 0.000) 12.820 11.609 ( -13.472 -5.146 0.000) 14.422 13.319 ( -7.848 0.766 0.000) 7.885 13.392 ( -15.633 -1.478 0.000) 15.702 13.977 ( -1.545 0.612 0.000) 1.662 14.057 ( -0.683 -1.061 0.000) 1.261 16.542 ( -0.446 2.336 0.000) 2.378 16.781 ( 2.068 0.442 0.000) 2.115 16.932 ( 0.391 1.443 0.000) 1.495 17.225 ( 7.146 0.918 0.000) 7.205 18.298 ( 13.313 -0.096 0.000) 13.313 18.700 ( 10.408 -2.121 0.000) 10.622 19.269 ( -6.883 6.119 0.000) 9.210 20.249 ( -7.062 1.606 0.000) 7.242 21.508 ( 6.087 -4.956 0.000) 7.850 21.770 ( 5.799 -1.313 0.000) 5.946 ======================= Grid point 30 (22/147) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( 10.395 -0.647 0.000) 10.415 2.764 ( 17.307 7.877 0.000) 19.016 3.533 ( 3.893 -1.982 0.000) 4.369 3.682 ( -4.411 0.884 0.000) 4.499 3.821 ( 2.430 -1.899 0.000) 3.083 3.978 ( 5.187 -6.256 0.000) 8.127 4.115 ( 6.777 -0.519 0.000) 6.796 4.376 ( 4.990 -5.778 0.000) 7.635 4.635 ( 3.074 4.806 0.000) 5.705 4.794 ( -0.815 -5.655 0.000) 5.713 4.911 ( 0.977 -11.796 0.000) 11.836 5.433 ( -2.034 18.862 0.000) 18.971 6.128 ( 0.783 -19.247 0.000) 19.263 6.419 ( 0.209 0.862 0.000) 0.887 6.851 ( 4.716 18.978 0.000) 19.555 7.047 ( 4.713 4.350 0.000) 6.414 7.372 ( 0.280 0.251 0.000) 0.376 7.596 ( 4.919 -1.192 0.000) 5.062 8.044 ( 7.289 -7.592 0.000) 10.525 8.088 ( 5.171 13.089 0.000) 14.074 8.607 ( -9.812 1.362 0.000) 9.906 8.653 ( 5.717 -3.592 0.000) 6.752 8.734 ( 8.296 -8.641 0.000) 11.979 8.983 ( -15.568 -9.926 0.000) 18.463 9.478 ( 26.600 0.966 0.000) 26.617 9.527 ( -8.982 4.364 0.000) 9.986 9.675 ( 12.321 1.665 0.000) 12.433 10.119 ( 12.893 -1.916 0.000) 13.034 10.123 ( -23.927 1.034 0.000) 23.949 10.405 ( 6.457 1.428 0.000) 6.613 10.941 ( -8.089 -1.478 0.000) 8.223 11.185 ( -9.715 1.422 0.000) 9.819 11.255 ( 5.392 5.846 0.000) 7.953 11.479 ( -2.076 -7.985 0.000) 8.251 13.158 ( -7.852 -0.718 0.000) 7.885 13.247 ( 0.036 0.314 0.000) 0.316 13.957 ( 0.152 0.996 0.000) 1.007 14.059 ( 0.141 -1.285 0.000) 1.293 16.462 ( -6.679 0.849 0.000) 6.732 16.796 ( -0.223 0.178 0.000) 0.285 16.875 ( -5.726 -0.051 0.000) 5.726 17.302 ( 2.137 1.597 0.000) 2.668 18.505 ( 8.476 0.560 0.000) 8.495 18.885 ( 7.027 -2.737 0.000) 7.541 19.111 ( -4.614 7.850 0.000) 9.106 20.106 ( -6.618 1.581 0.000) 6.804 21.653 ( 5.329 -5.185 0.000) 7.435 21.878 ( 4.598 -0.881 0.000) 4.681 ======================= Grid point 31 (23/147) ======================= q-point: (-0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( 4.400 3.213 0.000) 5.448 2.901 ( 6.068 15.355 0.000) 16.510 3.564 ( -2.607 -2.955 0.000) 3.941 3.582 ( -5.822 -2.174 0.000) 6.214 3.830 ( -2.345 -1.197 0.000) 2.633 4.078 ( 0.585 -5.873 0.000) 5.902 4.137 ( -3.175 3.145 0.000) 4.469 4.469 ( -0.858 -8.102 0.000) 8.147 4.623 ( -0.098 4.677 0.000) 4.678 4.842 ( 0.399 -9.073 0.000) 9.082 5.068 ( 2.765 -19.653 0.000) 19.846 5.218 ( -6.619 20.268 0.000) 21.321 6.230 ( -4.477 -20.352 0.000) 20.839 6.399 ( -1.780 0.754 0.000) 1.933 6.664 ( -6.646 28.997 0.000) 29.748 7.024 ( -3.609 4.357 0.000) 5.658 7.369 ( -0.228 0.939 0.000) 0.966 7.606 ( -5.067 -3.157 0.000) 5.971 7.997 ( -5.151 14.029 0.000) 14.945 8.114 ( -5.410 -8.167 0.000) 9.797 8.373 ( -16.519 -4.202 0.000) 17.045 8.754 ( 0.031 -4.197 0.000) 4.197 8.773 ( -14.992 -14.408 0.000) 20.793 8.889 ( 4.954 -6.862 0.000) 8.463 9.347 ( -6.161 4.207 0.000) 7.460 9.672 ( -16.637 5.220 0.000) 17.437 9.880 ( 12.500 4.664 0.000) 13.342 10.045 ( 28.052 -0.947 0.000) 28.068 10.241 ( -1.314 -1.438 0.000) 1.948 10.363 ( -10.882 3.263 0.000) 11.360 10.937 ( 6.687 -2.782 0.000) 7.242 11.127 ( 5.046 0.778 0.000) 5.106 11.300 ( 5.966 5.430 0.000) 8.067 11.679 ( 16.561 -1.533 0.000) 16.631 13.107 ( 1.736 -1.391 0.000) 2.225 13.343 ( 10.800 2.068 0.000) 10.996 13.969 ( 1.890 1.658 0.000) 2.514 14.084 ( 1.697 -1.094 0.000) 2.019 16.282 ( -13.240 -3.190 0.000) 13.619 16.721 ( -11.975 -4.421 0.000) 12.766 16.770 ( -2.674 -0.406 0.000) 2.704 17.290 ( -1.970 1.774 0.000) 2.650 18.597 ( 1.596 2.116 0.000) 2.650 18.988 ( 0.200 2.171 0.000) 2.180 18.988 ( -0.905 4.170 0.000) 4.267 19.991 ( -4.797 -0.786 0.000) 4.861 21.775 ( 4.515 -2.642 0.000) 5.232 21.952 ( 3.031 0.389 0.000) 3.056 ======================= Grid point 32 (24/147) ======================= q-point: (-0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( -1.905 19.040 0.000) 19.135 2.833 ( -3.795 9.773 0.000) 10.484 3.472 ( -9.010 -2.872 0.000) 9.457 3.518 ( -4.070 -6.796 0.000) 7.922 3.757 ( -5.683 1.030 0.000) 5.776 3.970 ( -11.398 3.418 0.000) 11.900 4.072 ( -5.426 -5.341 0.000) 7.614 4.440 ( -5.182 -0.756 0.000) 5.237 4.600 ( -2.281 -5.289 0.000) 5.759 4.899 ( -12.011 20.490 0.000) 23.750 4.911 ( -0.462 -8.920 0.000) 8.932 5.245 ( -0.199 -22.058 0.000) 22.058 6.211 ( -16.298 27.294 0.000) 31.790 6.238 ( -9.747 -20.859 0.000) 23.024 6.345 ( -5.104 7.197 0.000) 8.823 6.872 ( -8.857 2.845 0.000) 9.303 7.327 ( -4.008 4.023 0.000) 5.679 7.439 ( -15.258 -2.424 0.000) 15.449 7.732 ( -11.148 12.181 0.000) 16.512 7.925 ( -17.884 -1.498 0.000) 17.946 8.164 ( -10.786 -19.434 0.000) 22.226 8.601 ( -13.499 -14.388 0.000) 19.729 8.642 ( -15.696 -3.489 0.000) 16.080 9.002 ( 4.692 4.649 0.000) 6.605 9.325 ( -15.632 7.043 0.000) 17.145 9.327 ( 5.627 -5.198 0.000) 7.661 10.024 ( -18.392 4.505 0.000) 18.936 10.138 ( 18.934 7.640 0.000) 20.417 10.211 ( -0.762 -1.605 0.000) 1.776 10.557 ( 24.676 0.632 0.000) 24.684 11.155 ( 12.296 -3.464 0.000) 12.775 11.283 ( 10.159 0.679 0.000) 10.181 11.457 ( 15.641 8.734 0.000) 17.915 12.053 ( 22.967 3.682 0.000) 23.260 13.226 ( 9.030 -1.651 0.000) 9.179 13.607 ( 18.373 3.779 0.000) 18.758 13.997 ( 2.313 2.749 0.000) 3.593 14.148 ( 4.896 -0.113 0.000) 4.897 16.007 ( -20.378 -9.841 0.000) 22.630 16.490 ( -17.978 -11.458 0.000) 21.319 16.695 ( -5.972 -1.360 0.000) 6.125 17.204 ( -5.954 1.660 0.000) 6.181 18.517 ( -7.030 5.921 0.000) 9.192 18.908 ( -2.288 3.290 0.000) 4.008 18.963 ( -4.084 2.780 0.000) 4.940 19.947 ( -2.072 -5.609 0.000) 5.980 21.853 ( 3.196 1.898 0.000) 3.718 21.995 ( 2.825 1.782 0.000) 3.340 ======================= Grid point 33 (25/147) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( -6.559 20.851 0.000) 21.858 2.604 ( -11.041 14.396 0.000) 18.143 3.278 ( -12.639 -1.311 0.000) 12.706 3.505 ( -3.269 -7.580 0.000) 8.254 3.556 ( -13.822 6.370 0.000) 15.219 3.718 ( -12.705 -0.482 0.000) 12.714 3.954 ( -10.578 -5.697 0.000) 12.014 4.296 ( -8.309 8.018 0.000) 11.547 4.501 ( -12.997 14.156 0.000) 19.217 4.613 ( -4.982 -11.671 0.000) 12.690 4.908 ( -6.754 -5.801 0.000) 8.903 5.328 ( -5.235 -13.342 0.000) 14.332 5.674 ( -22.039 14.280 0.000) 26.261 6.129 ( -11.865 10.583 0.000) 15.899 6.155 ( -13.783 -20.841 0.000) 24.986 6.691 ( -9.052 0.030 0.000) 9.052 7.069 ( -17.099 12.968 0.000) 21.460 7.079 ( -22.087 0.164 0.000) 22.087 7.516 ( -5.055 5.451 0.000) 7.434 7.604 ( -14.987 -1.757 0.000) 15.090 8.128 ( -13.010 -24.017 0.000) 27.314 8.235 ( -26.405 -0.541 0.000) 26.410 8.514 ( -2.726 -9.070 0.000) 9.471 9.007 ( -11.248 4.335 0.000) 12.054 9.037 ( 3.882 11.520 0.000) 12.157 9.484 ( -1.197 -4.908 0.000) 5.052 9.732 ( -2.718 -1.479 0.000) 3.095 10.309 ( 10.221 -1.614 0.000) 10.348 10.470 ( 22.163 10.827 0.000) 24.666 10.957 ( 19.821 5.188 0.000) 20.488 11.430 ( 14.722 -2.655 0.000) 14.959 11.484 ( 11.392 -0.718 0.000) 11.415 11.734 ( 19.494 11.208 0.000) 22.486 12.477 ( 25.713 8.098 0.000) 26.958 13.443 ( 11.902 -1.710 0.000) 12.024 13.947 ( 19.857 5.351 0.000) 20.566 14.006 ( 0.591 2.841 0.000) 2.902 14.267 ( 8.283 4.003 0.000) 9.200 15.661 ( -26.043 -19.437 0.000) 32.497 16.219 ( -21.504 -20.452 0.000) 29.676 16.554 ( -10.795 -2.898 0.000) 11.177 17.040 ( -10.269 1.572 0.000) 10.389 18.266 ( -13.979 7.968 0.000) 16.091 18.805 ( -8.629 6.532 0.000) 10.822 18.826 ( -6.373 -1.699 0.000) 6.596 19.986 ( -0.034 -10.589 0.000) 10.589 21.864 ( 1.121 6.134 0.000) 6.236 22.052 ( 5.724 4.413 0.000) 7.227 ======================= Grid point 34 (26/147) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -15.853 17.685 0.000) 23.750 2.277 ( -11.860 20.577 0.000) 23.750 3.004 ( -16.098 4.292 0.000) 16.660 3.231 ( -14.424 2.313 0.000) 14.608 3.439 ( -15.444 9.091 0.000) 17.921 3.469 ( -5.808 -4.192 0.000) 7.163 3.775 ( -11.741 -5.563 0.000) 12.992 3.981 ( -13.160 14.736 0.000) 19.757 4.254 ( -6.924 5.846 0.000) 9.062 4.607 ( -7.279 -17.579 0.000) 19.027 4.677 ( -17.369 6.419 0.000) 18.517 5.154 ( -16.150 -2.153 0.000) 16.293 5.324 ( -18.420 -19.525 0.000) 26.842 5.815 ( -10.847 11.834 0.000) 16.053 6.031 ( -13.442 -19.938 0.000) 24.046 6.449 ( -20.263 -2.152 0.000) 20.377 6.592 ( -20.349 17.137 0.000) 26.604 6.716 ( -9.889 6.880 0.000) 12.046 7.316 ( -17.072 5.576 0.000) 17.959 7.375 ( -11.972 1.085 0.000) 12.021 7.795 ( -15.242 -0.480 0.000) 15.250 7.981 ( -14.690 -19.187 0.000) 24.165 8.554 ( 1.271 -2.096 0.000) 2.452 8.892 ( -9.044 15.482 0.000) 17.930 8.989 ( 8.127 -9.403 0.000) 12.428 9.429 ( 0.677 -0.848 0.000) 1.084 9.925 ( 11.567 -7.035 0.000) 13.538 10.589 ( 16.393 -2.040 0.000) 16.520 10.806 ( 22.032 13.828 0.000) 26.012 11.237 ( 15.661 10.970 0.000) 19.121 11.726 ( 15.488 0.310 0.000) 15.491 11.783 ( 19.619 -4.447 0.000) 20.117 12.003 ( 16.164 9.721 0.000) 18.862 12.883 ( 23.681 13.408 0.000) 27.213 13.678 ( 11.270 -1.794 0.000) 11.412 13.979 ( -2.491 -0.536 0.000) 2.548 14.259 ( 17.206 6.682 0.000) 18.458 14.312 ( -2.895 9.514 0.000) 9.945 15.386 ( -16.046 -28.300 0.000) 32.532 15.999 ( -17.948 -27.123 0.000) 32.524 16.316 ( -17.577 -4.931 0.000) 18.256 16.792 ( -14.577 1.789 0.000) 14.686 17.892 ( -19.742 7.029 0.000) 20.956 18.571 ( -9.832 8.775 0.000) 13.178 18.675 ( -13.303 -7.305 0.000) 15.177 20.083 ( 1.115 -14.022 0.000) 14.066 21.823 ( 0.291 8.934 0.000) 8.939 22.158 ( 10.375 8.411 0.000) 13.357 ======================= Grid point 35 (27/147) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -17.872 21.586 0.000) 28.025 1.830 ( -23.600 14.987 0.000) 27.956 2.635 ( -16.277 8.742 0.000) 18.476 2.894 ( -17.066 26.651 0.000) 31.647 3.106 ( -7.839 3.847 0.000) 8.732 3.324 ( -10.539 -1.323 0.000) 10.621 3.595 ( -8.376 2.352 0.000) 8.699 3.723 ( -5.308 7.229 0.000) 8.968 4.102 ( -7.136 0.079 0.000) 7.137 4.249 ( -23.421 -0.199 0.000) 23.422 4.575 ( -9.428 -19.632 0.000) 21.778 4.902 ( -16.360 -13.683 0.000) 21.327 5.101 ( -15.351 -11.998 0.000) 19.483 5.593 ( -7.481 3.172 0.000) 8.126 5.942 ( -9.051 -15.311 0.000) 17.786 6.041 ( -19.960 1.269 0.000) 20.000 6.111 ( -15.913 20.021 0.000) 25.575 6.564 ( -1.789 11.357 0.000) 11.497 6.834 ( -25.885 2.030 0.000) 25.964 7.066 ( -17.361 4.740 0.000) 17.997 7.661 ( -2.365 1.249 0.000) 2.675 7.950 ( -2.079 -16.544 0.000) 16.674 8.586 ( -10.036 15.579 0.000) 18.532 8.650 ( 7.979 -2.070 0.000) 8.243 9.302 ( 13.485 -13.447 0.000) 19.044 9.494 ( 4.291 -0.168 0.000) 4.294 10.166 ( 8.498 -5.711 0.000) 10.239 10.895 ( 12.971 -2.523 0.000) 13.214 11.105 ( 20.695 16.307 0.000) 26.348 11.406 ( 11.341 12.971 0.000) 17.230 12.050 ( 17.952 -0.839 0.000) 17.972 12.211 ( 11.628 5.464 0.000) 12.848 12.271 ( 28.571 -5.020 0.000) 29.009 13.111 ( 8.992 16.267 0.000) 18.587 13.876 ( -20.634 -2.403 0.000) 20.773 13.882 ( 8.610 -2.051 0.000) 8.851 14.032 ( -9.666 -4.525 0.000) 10.673 14.500 ( 13.521 7.836 0.000) 15.628 15.514 ( 9.113 -19.995 0.000) 21.974 15.949 ( -25.247 -6.017 0.000) 25.954 15.958 ( -3.414 -22.218 0.000) 22.479 16.475 ( -16.945 1.959 0.000) 17.058 17.444 ( -23.001 3.010 0.000) 23.197 18.336 ( -7.764 9.740 0.000) 12.456 18.406 ( -23.450 -13.666 0.000) 27.142 20.214 ( 1.720 -15.698 0.000) 15.792 21.757 ( 0.153 11.156 0.000) 11.157 22.343 ( 16.874 11.152 0.000) 20.226 ======================= Grid point 36 (28/147) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -40.927 8.274 0.000) 41.755 1.289 ( -14.529 27.069 0.000) 30.721 2.278 ( -6.359 42.879 0.000) 43.348 2.395 ( -11.781 17.059 0.000) 20.731 3.025 ( -1.450 -0.450 0.000) 1.519 3.159 ( -7.199 -3.465 0.000) 7.989 3.460 ( -2.148 6.996 0.000) 7.319 3.612 ( -2.491 7.609 0.000) 8.006 3.852 ( -19.081 -5.881 0.000) 19.966 3.997 ( -5.865 -7.048 0.000) 9.169 4.548 ( -7.025 -20.103 0.000) 21.295 4.687 ( -12.895 -6.186 0.000) 14.303 5.004 ( -6.152 -20.471 0.000) 21.375 5.474 ( -4.917 -2.572 0.000) 5.549 5.730 ( -10.371 4.201 0.000) 11.189 5.735 ( -9.302 16.966 0.000) 19.349 5.860 ( -5.209 5.803 0.000) 7.798 6.460 ( 0.196 15.215 0.000) 15.216 6.462 ( -14.197 -12.557 0.000) 18.954 6.730 ( -13.042 5.393 0.000) 14.113 7.624 ( -0.612 2.685 0.000) 2.754 8.063 ( 1.819 -12.872 0.000) 13.000 8.329 ( -5.363 15.824 0.000) 16.708 8.858 ( 10.125 -4.566 0.000) 11.107 9.566 ( 2.763 -0.385 0.000) 2.790 9.614 ( 8.980 -11.880 0.000) 14.893 10.317 ( 3.861 -4.159 0.000) 5.675 11.091 ( 5.940 -2.557 0.000) 6.467 11.388 ( 21.669 15.393 0.000) 26.580 11.501 ( 8.547 12.413 0.000) 15.071 12.366 ( 13.128 -1.115 0.000) 13.175 12.382 ( 8.726 0.214 0.000) 8.728 12.892 ( 29.175 -8.808 0.000) 30.476 12.990 ( -10.791 7.595 0.000) 13.196 13.270 ( -38.724 -5.878 0.000) 39.167 14.028 ( 5.176 -2.662 0.000) 5.820 14.073 ( 2.358 -7.058 0.000) 7.442 14.667 ( 10.583 9.024 0.000) 13.907 15.460 ( -28.451 -3.426 0.000) 28.656 15.877 ( 15.272 -10.939 0.000) 18.785 16.166 ( -13.048 0.996 0.000) 13.086 16.185 ( 16.719 -2.815 0.000) 16.955 17.039 ( -17.225 -4.322 0.000) 17.759 17.939 ( -38.012 -17.290 0.000) 41.760 18.156 ( -3.977 9.693 0.000) 10.477 20.355 ( 1.417 -15.581 0.000) 15.646 21.676 ( -0.025 12.585 0.000) 12.585 22.655 ( 22.456 7.405 0.000) 23.645 ======================= Grid point 37 (29/147) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( 0.000 14.561 0.000) 14.561 0.922 ( 0.000 32.088 0.000) 32.088 1.824 ( 0.000 63.236 0.000) 63.236 2.240 ( 0.000 3.149 0.000) 3.149 3.021 ( -0.000 -0.550 0.000) 0.550 3.123 ( -0.000 -5.619 0.000) 5.619 3.394 ( 0.000 8.285 0.000) 8.285 3.530 ( 0.000 7.385 0.000) 7.385 3.685 ( -0.000 -4.825 0.000) 4.825 3.994 ( -0.000 -8.228 0.000) 8.228 4.583 ( -0.000 -3.852 0.000) 3.852 4.616 ( -0.000 -20.271 0.000) 20.271 5.111 ( -0.000 -24.139 0.000) 24.139 5.447 ( -0.000 -3.816 0.000) 3.816 5.532 ( 0.000 15.998 0.000) 15.998 5.599 ( 0.000 4.615 0.000) 4.615 5.705 ( 0.000 16.075 0.000) 16.075 6.352 ( 0.000 17.752 0.000) 17.752 6.466 ( -0.000 -20.492 0.000) 20.492 6.545 ( 0.000 6.497 0.000) 6.497 7.596 ( 0.000 3.851 0.000) 3.851 8.163 ( -0.000 -9.424 0.000) 9.424 8.170 ( 0.000 15.141 0.000) 15.141 9.018 ( -0.000 -6.885 0.000) 6.885 9.596 ( -0.000 -0.473 0.000) 0.473 9.776 ( -0.000 -9.481 0.000) 9.481 10.377 ( -0.000 -3.168 0.000) 3.168 11.162 ( -0.000 -2.146 0.000) 2.146 11.494 ( 0.000 7.030 0.000) 7.030 11.718 ( 0.000 8.211 0.000) 8.211 12.423 ( -0.000 -0.159 0.000) 0.159 12.507 ( -0.000 -0.925 0.000) 0.925 12.747 ( 0.000 0.150 0.000) 0.150 12.812 ( 0.000 4.557 0.000) 4.557 13.303 ( -0.000 -12.807 0.000) 12.807 14.108 ( -0.000 -3.840 0.000) 3.840 14.142 ( -0.000 -5.291 0.000) 5.291 14.750 ( 0.000 11.083 0.000) 11.083 15.092 ( -0.000 -0.289 0.000) 0.289 16.029 ( 0.000 0.024 0.000) 0.024 16.108 ( -0.000 -2.601 0.000) 2.601 16.428 ( -0.000 -0.233 0.000) 0.233 17.010 ( -0.000 -0.083 0.000) 0.083 17.399 ( -0.000 -14.013 0.000) 14.013 18.054 ( 0.000 8.875 0.000) 8.875 20.472 ( -0.000 -13.740 0.000) 13.740 21.587 ( 0.000 12.512 0.000) 12.512 22.952 ( -0.000 -4.862 0.000) 4.862 ======================= Grid point 42 (30/147) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 11.295 0.000 0.000) 11.295 2.828 ( 20.390 0.000 0.000) 20.390 3.522 ( 4.080 0.000 0.000) 4.080 3.689 ( -5.265 -0.000 0.000) 5.265 3.798 ( 1.647 0.000 0.000) 1.647 3.932 ( 6.262 0.000 0.000) 6.262 4.107 ( 7.834 0.000 0.000) 7.834 4.336 ( 4.499 0.000 0.000) 4.499 4.670 ( 3.020 0.000 0.000) 3.020 4.773 ( -3.790 -0.000 0.000) 3.790 4.813 ( 1.983 0.000 0.000) 1.983 5.614 ( -2.235 -0.000 0.000) 2.235 5.942 ( 0.932 0.000 0.000) 0.932 6.425 ( -0.198 -0.000 0.000) 0.198 6.985 ( 6.026 0.000 0.000) 6.026 7.085 ( 5.074 0.000 0.000) 5.074 7.373 ( 0.349 0.000 0.000) 0.349 7.598 ( 5.282 0.000 0.000) 5.282 7.975 ( 6.131 0.000 0.000) 6.131 8.195 ( 4.094 0.000 0.000) 4.094 8.617 ( -11.352 -0.000 0.000) 11.352 8.637 ( 8.713 0.000 0.000) 8.713 8.650 ( 6.648 0.000 0.000) 6.648 8.908 ( -16.085 -0.000 0.000) 16.085 9.484 ( 26.701 0.000 0.000) 26.701 9.558 ( -9.147 -0.000 0.000) 9.147 9.688 ( 12.834 0.000 0.000) 12.834 10.106 ( 13.184 0.000 0.000) 13.184 10.130 ( -23.606 -0.000 0.000) 23.606 10.415 ( 6.757 0.000 0.000) 6.757 10.930 ( -8.209 -0.000 0.000) 8.209 11.195 ( -10.161 -0.000 0.000) 10.161 11.328 ( 11.937 0.000 0.000) 11.937 11.391 ( -6.756 -0.000 0.000) 6.756 13.152 ( -8.191 -0.000 0.000) 8.191 13.250 ( 0.738 0.000 0.000) 0.738 13.966 ( 0.260 0.000 0.000) 0.260 14.049 ( 0.253 0.000 0.000) 0.253 16.468 ( -7.898 -0.000 0.000) 7.898 16.797 ( -0.419 -0.000 0.000) 0.419 16.874 ( -6.900 -0.000 0.000) 6.900 17.314 ( 2.092 0.000 0.000) 2.092 18.511 ( 8.782 0.000 0.000) 8.782 18.865 ( 7.545 0.000 0.000) 7.545 19.170 ( -5.367 -0.000 0.000) 5.367 20.117 ( -7.251 -0.000 0.000) 7.251 21.614 ( 6.525 0.000 0.000) 6.525 21.871 ( 5.090 0.000 0.000) 5.090 ======================= Grid point 43 (31/147) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( 7.313 1.354 0.000) 7.437 3.089 ( 9.785 9.188 0.000) 13.423 3.539 ( -2.519 -0.570 0.000) 2.582 3.560 ( -8.195 -0.911 0.000) 8.245 3.790 ( -3.161 -3.397 0.000) 4.640 4.020 ( 1.778 -2.242 0.000) 2.862 4.165 ( -1.770 0.642 0.000) 1.883 4.380 ( -1.330 -3.543 0.000) 3.784 4.681 ( -0.573 2.447 0.000) 2.513 4.736 ( -1.283 -4.208 0.000) 4.399 4.885 ( 2.573 -6.840 0.000) 7.308 5.485 ( -5.276 16.005 0.000) 16.852 5.955 ( -6.190 -16.510 0.000) 17.633 6.406 ( -1.474 0.240 0.000) 1.493 6.975 ( -3.001 12.925 0.000) 13.269 7.081 ( -4.274 2.874 0.000) 5.151 7.378 ( 0.258 0.302 0.000) 0.397 7.595 ( -4.680 1.913 0.000) 5.056 7.967 ( -9.367 -10.128 0.000) 13.796 8.162 ( -5.303 7.737 0.000) 9.380 8.341 ( -19.039 -0.845 0.000) 19.058 8.628 ( -14.696 -5.696 0.000) 15.761 8.693 ( -2.626 -3.627 0.000) 4.478 8.813 ( 9.214 -3.111 0.000) 9.725 9.393 ( -7.480 1.877 0.000) 7.712 9.724 ( -16.806 2.007 0.000) 16.926 9.922 ( 12.993 1.482 0.000) 13.077 10.035 ( 29.296 -0.378 0.000) 29.298 10.226 ( -0.770 -0.606 0.000) 0.980 10.397 ( -10.427 1.380 0.000) 10.518 10.907 ( 6.128 -1.213 0.000) 6.247 11.135 ( 4.990 0.328 0.000) 5.000 11.361 ( 5.681 2.682 0.000) 6.282 11.656 ( 20.314 -1.225 0.000) 20.351 13.094 ( 1.736 -0.511 0.000) 1.810 13.363 ( 11.366 0.759 0.000) 11.391 13.990 ( 2.645 1.073 0.000) 2.854 14.068 ( 1.550 -0.865 0.000) 1.775 16.252 ( -15.289 -1.102 0.000) 15.329 16.676 ( -14.521 -1.820 0.000) 14.635 16.766 ( -2.966 -0.138 0.000) 2.970 17.310 ( -2.070 0.828 0.000) 2.229 18.619 ( 2.640 0.882 0.000) 2.784 18.974 ( 3.379 -0.668 0.000) 3.444 19.069 ( -4.143 3.447 0.000) 5.389 19.985 ( -6.488 -0.186 0.000) 6.491 21.744 ( 6.565 -1.337 0.000) 6.700 21.954 ( 3.485 0.013 0.000) 3.485 ======================= Grid point 44 (32/147) ======================= q-point: (-0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( 1.169 8.154 0.000) 8.237 3.078 ( -0.174 17.671 0.000) 17.672 3.423 ( -7.762 -6.397 0.000) 10.058 3.438 ( -8.745 -1.787 0.000) 8.925 3.736 ( -5.274 -3.722 0.000) 6.455 4.017 ( -4.056 -2.410 0.000) 4.718 4.028 ( -10.931 3.787 0.000) 11.568 4.341 ( -6.493 -8.017 0.000) 10.317 4.628 ( -2.488 3.922 0.000) 4.645 4.767 ( -1.635 -10.112 0.000) 10.243 4.991 ( 0.999 -13.068 0.000) 13.106 5.197 ( -11.104 22.123 0.000) 24.753 5.922 ( -12.130 -23.562 0.000) 26.501 6.353 ( -4.668 2.731 0.000) 5.408 6.671 ( -12.880 27.204 0.000) 30.099 6.918 ( -10.102 3.219 0.000) 10.603 7.370 ( -0.758 2.111 0.000) 2.242 7.412 ( -14.168 0.117 0.000) 14.168 7.835 ( -13.452 -19.697 0.000) 23.852 7.906 ( -13.208 11.401 0.000) 17.448 7.937 ( -23.203 -4.401 0.000) 23.617 8.441 ( -9.834 -8.234 0.000) 12.826 8.576 ( -14.431 -5.306 0.000) 15.376 9.023 ( 9.931 -0.726 0.000) 9.957 9.296 ( 0.634 0.029 0.000) 0.634 9.404 ( -15.872 4.049 0.000) 16.380 10.076 ( -19.116 2.801 0.000) 19.321 10.193 ( -0.318 -0.912 0.000) 0.965 10.212 ( 19.182 3.312 0.000) 19.466 10.564 ( 26.091 0.344 0.000) 26.093 11.112 ( 12.351 -2.389 0.000) 12.580 11.294 ( 10.130 0.673 0.000) 10.153 11.562 ( 17.805 5.813 0.000) 18.730 12.087 ( 24.753 1.403 0.000) 24.792 13.208 ( 9.096 -0.950 0.000) 9.146 13.649 ( 18.945 2.110 0.000) 19.062 14.041 ( 3.861 3.516 0.000) 5.222 14.134 ( 5.046 -1.904 0.000) 5.394 15.905 ( -23.518 -4.893 0.000) 24.022 16.356 ( -22.375 -7.308 0.000) 23.539 16.682 ( -6.413 -0.654 0.000) 6.447 17.226 ( -6.035 1.317 0.000) 6.177 18.582 ( -5.402 3.263 0.000) 6.311 18.962 ( -4.721 3.666 0.000) 5.977 18.988 ( -2.005 1.012 0.000) 2.246 19.886 ( -4.811 -3.061 0.000) 5.703 21.871 ( 6.259 0.841 0.000) 6.316 22.006 ( 2.488 0.086 0.000) 2.489 ======================= Grid point 45 (33/147) ======================= q-point: (-0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( -8.061 15.197 0.000) 17.203 2.874 ( -7.469 19.199 0.000) 20.600 3.253 ( -11.376 -1.860 0.000) 11.527 3.379 ( -3.762 -10.633 0.000) 11.279 3.623 ( -9.471 1.427 0.000) 9.578 3.727 ( -15.569 3.159 0.000) 15.886 3.898 ( -9.703 -1.984 0.000) 9.904 4.265 ( -8.134 -10.326 0.000) 13.145 4.538 ( -4.391 3.114 0.000) 5.383 4.775 ( -6.136 -11.318 0.000) 12.874 4.780 ( -15.947 21.648 0.000) 26.888 5.083 ( -3.087 -17.092 0.000) 17.369 5.823 ( -16.031 -25.865 0.000) 30.430 5.983 ( -25.530 23.089 0.000) 34.422 6.320 ( -7.923 16.583 0.000) 18.378 6.687 ( -12.469 -0.574 0.000) 12.482 7.075 ( -19.232 -0.120 0.000) 19.233 7.256 ( -9.131 12.194 0.000) 15.233 7.571 ( -15.755 -2.645 0.000) 15.975 7.599 ( -9.353 6.347 0.000) 11.303 7.774 ( -12.646 -26.631 0.000) 29.481 8.202 ( -26.856 -3.841 0.000) 27.129 8.398 ( 0.428 -7.151 0.000) 7.164 9.066 ( -15.401 3.893 0.000) 15.885 9.164 ( 7.104 6.376 0.000) 9.546 9.414 ( 4.229 -4.253 0.000) 5.998 9.731 ( -10.651 0.802 0.000) 10.682 10.290 ( 10.048 -1.150 0.000) 10.114 10.579 ( 22.001 5.346 0.000) 22.641 11.016 ( 22.934 3.165 0.000) 23.151 11.385 ( 14.791 -2.953 0.000) 15.083 11.489 ( 11.318 0.705 0.000) 11.340 11.896 ( 21.845 11.135 0.000) 24.520 12.558 ( 26.577 3.752 0.000) 26.841 13.422 ( 11.955 -1.262 0.000) 12.022 14.010 ( 20.395 3.695 0.000) 20.727 14.068 ( 1.947 5.871 0.000) 6.185 14.300 ( 11.703 0.376 0.000) 11.709 15.437 ( -31.464 -12.188 0.000) 33.742 15.954 ( -27.781 -16.975 0.000) 32.557 16.523 ( -11.436 -1.600 0.000) 11.547 17.062 ( -10.298 1.492 0.000) 10.405 18.366 ( -13.842 6.036 0.000) 15.101 18.827 ( -8.288 1.138 0.000) 8.366 18.882 ( -6.968 4.439 0.000) 8.262 19.853 ( -2.716 -8.126 0.000) 8.568 21.942 ( 3.093 5.211 0.000) 6.060 22.080 ( 6.048 -0.060 0.000) 6.048 ======================= Grid point 46 (34/147) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( -13.375 18.123 0.000) 22.525 2.526 ( -17.168 15.275 0.000) 22.979 3.048 ( -10.886 2.174 0.000) 11.101 3.281 ( -18.166 4.816 0.000) 18.794 3.385 ( -3.588 -8.037 0.000) 8.802 3.520 ( -8.050 3.095 0.000) 8.624 3.707 ( -11.399 -3.275 0.000) 11.860 4.140 ( -10.923 1.257 0.000) 10.995 4.345 ( -12.280 10.450 0.000) 16.125 4.441 ( -8.476 -3.235 0.000) 9.073 4.673 ( -11.769 -6.899 0.000) 13.642 5.059 ( -16.260 -18.022 0.000) 24.273 5.293 ( -24.489 21.367 0.000) 32.500 5.700 ( -14.960 -26.055 0.000) 30.044 6.002 ( -13.736 13.954 0.000) 19.580 6.408 ( -19.818 -3.850 0.000) 20.189 6.802 ( -6.113 5.750 0.000) 8.392 6.872 ( -15.907 21.494 0.000) 26.740 7.366 ( -9.785 -2.097 0.000) 10.007 7.393 ( -16.378 5.044 0.000) 17.137 7.688 ( -13.384 -22.755 0.000) 26.399 7.754 ( -17.088 -5.514 0.000) 17.955 8.517 ( 5.269 -3.228 0.000) 6.179 8.885 ( -0.242 -5.331 0.000) 5.336 9.087 ( -9.902 12.231 0.000) 15.737 9.409 ( 1.752 -2.060 0.000) 2.704 9.840 ( 12.392 -4.830 0.000) 13.300 10.560 ( 15.785 -2.049 0.000) 15.917 10.948 ( 21.034 7.068 0.000) 22.190 11.376 ( 18.857 8.336 0.000) 20.617 11.720 ( 16.189 -1.687 0.000) 16.277 11.741 ( 18.888 -1.041 0.000) 18.917 12.183 ( 17.425 15.496 0.000) 23.318 13.019 ( 24.554 5.983 0.000) 25.272 13.655 ( 11.212 -1.521 0.000) 11.315 14.008 ( -4.829 5.188 0.000) 7.088 14.344 ( 17.735 5.298 0.000) 18.509 14.449 ( -3.443 10.257 0.000) 10.819 15.012 ( -15.908 -25.272 0.000) 29.862 15.620 ( -20.357 -26.755 0.000) 33.619 16.261 ( -18.153 -3.000 0.000) 18.399 16.815 ( -14.616 1.484 0.000) 14.691 17.987 ( -21.238 6.439 0.000) 22.192 18.616 ( -14.695 -1.975 0.000) 14.827 18.684 ( -8.936 7.377 0.000) 11.588 19.893 ( -0.958 -12.953 0.000) 12.989 21.937 ( 1.506 7.476 0.000) 7.626 22.227 ( 10.073 2.183 0.000) 10.307 ======================= Grid point 47 (35/147) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( -30.662 9.346 0.000) 32.055 2.076 ( -14.751 21.479 0.000) 26.056 2.745 ( -16.177 7.693 0.000) 17.913 3.037 ( -5.866 0.863 0.000) 5.929 3.300 ( -9.698 -2.153 0.000) 9.934 3.324 ( -5.493 17.290 0.000) 18.141 3.570 ( -5.156 -4.909 0.000) 7.120 3.867 ( -8.129 12.248 0.000) 14.700 4.122 ( -10.111 1.950 0.000) 10.297 4.318 ( -26.642 9.271 0.000) 28.209 4.328 ( -9.878 -14.598 0.000) 17.626 4.687 ( -18.486 -15.784 0.000) 24.308 4.995 ( -11.837 -1.716 0.000) 11.961 5.651 ( -8.237 -24.421 0.000) 25.772 5.664 ( -13.176 6.177 0.000) 14.552 6.053 ( -17.138 0.332 0.000) 17.141 6.428 ( -13.548 23.741 0.000) 27.335 6.709 ( 0.299 9.654 0.000) 9.659 6.892 ( -26.858 5.586 0.000) 27.432 7.120 ( -15.742 2.896 0.000) 16.006 7.647 ( -2.441 -3.330 0.000) 4.129 7.686 ( -2.326 -21.316 0.000) 21.443 8.628 ( 7.173 -0.773 0.000) 7.214 8.787 ( -10.469 12.790 0.000) 16.528 9.111 ( 12.443 -13.850 0.000) 18.618 9.489 ( 4.232 -0.661 0.000) 4.284 10.094 ( 9.911 -4.261 0.000) 10.788 10.856 ( 12.346 -3.116 0.000) 12.733 11.269 ( 18.416 8.060 0.000) 20.103 11.603 ( 13.226 13.683 0.000) 19.030 12.039 ( 17.552 -0.639 0.000) 17.564 12.216 ( 27.985 -3.135 0.000) 28.160 12.340 ( 10.349 13.500 0.000) 17.010 13.302 ( 6.511 10.789 0.000) 12.601 13.838 ( -15.937 -2.636 0.000) 16.153 13.854 ( 8.390 -1.853 0.000) 8.592 13.950 ( -28.702 -6.978 0.000) 29.538 14.603 ( 14.100 6.825 0.000) 15.665 15.268 ( 16.208 -16.437 0.000) 23.084 15.662 ( 9.522 -19.034 0.000) 21.283 15.877 ( -24.722 -4.239 0.000) 25.082 16.498 ( -17.329 1.383 0.000) 17.384 17.493 ( -26.504 3.823 0.000) 26.778 18.284 ( -23.406 -5.133 0.000) 23.962 18.467 ( -7.406 9.077 0.000) 11.715 19.989 ( 0.312 -16.291 0.000) 16.294 21.903 ( 1.192 9.722 0.000) 9.795 22.432 ( 13.397 2.685 0.000) 13.663 ======================= Grid point 48 (36/147) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -40.721 7.418 0.000) 41.391 1.659 ( -10.955 25.973 0.000) 28.189 2.430 ( -10.665 5.772 0.000) 12.126 2.954 ( 0.446 20.004 0.000) 20.009 3.084 ( -2.052 23.232 0.000) 23.323 3.121 ( -8.408 -2.014 0.000) 8.646 3.544 ( 1.048 3.245 0.000) 3.410 3.717 ( -1.834 8.436 0.000) 8.634 3.792 ( -21.495 -1.694 0.000) 21.562 3.913 ( -10.749 -3.926 0.000) 11.444 4.283 ( -6.520 -17.920 0.000) 19.069 4.558 ( -8.374 -12.368 0.000) 14.936 4.788 ( -10.851 -8.867 0.000) 14.013 5.452 ( -7.010 -0.632 0.000) 7.039 5.717 ( -1.343 -17.408 0.000) 17.459 5.789 ( -8.854 4.011 0.000) 9.721 6.067 ( -7.142 20.736 0.000) 21.931 6.409 ( -18.610 5.329 0.000) 19.358 6.650 ( 1.215 12.213 0.000) 12.273 6.813 ( -11.606 6.259 0.000) 13.186 7.635 ( -0.869 -1.150 0.000) 1.441 7.836 ( 1.654 -19.775 0.000) 19.844 8.543 ( -5.267 14.312 0.000) 15.250 8.802 ( 8.384 -3.122 0.000) 8.947 9.432 ( 9.572 -14.101 0.000) 17.043 9.559 ( 2.542 -0.627 0.000) 2.618 10.259 ( 4.625 -3.751 0.000) 5.955 11.049 ( 5.718 -3.471 0.000) 6.689 11.530 ( 13.807 7.474 0.000) 15.700 11.716 ( 11.576 15.848 0.000) 19.625 12.349 ( 12.950 -1.231 0.000) 13.008 12.416 ( 4.878 4.715 0.000) 6.784 12.792 ( 27.018 -5.635 0.000) 27.599 13.081 ( -19.788 5.537 0.000) 20.548 13.205 ( -32.404 -3.356 0.000) 32.578 13.956 ( 3.090 -9.857 0.000) 10.330 13.993 ( 4.627 -2.414 0.000) 5.218 14.786 ( 10.872 7.988 0.000) 13.491 15.414 ( -25.476 -3.199 0.000) 25.676 15.715 ( 20.265 -12.368 0.000) 23.741 16.161 ( 30.426 -0.628 0.000) 30.433 16.179 ( -14.010 0.805 0.000) 14.033 16.986 ( -23.336 -3.105 0.000) 23.541 17.783 ( -34.283 -6.911 0.000) 34.973 18.293 ( -3.913 9.847 0.000) 10.596 20.120 ( 0.714 -17.881 0.000) 17.895 21.847 ( 0.652 11.758 0.000) 11.776 22.688 ( 13.394 -1.073 0.000) 13.437 ======================= Grid point 49 (37/147) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 0.000 12.775 0.000) 12.775 1.350 ( 0.000 29.661 0.000) 29.661 2.292 ( 0.000 4.352 0.000) 4.352 2.652 ( 0.000 55.062 0.000) 55.062 3.024 ( 0.000 1.709 0.000) 1.709 3.058 ( -0.000 -3.697 0.000) 3.697 3.527 ( 0.000 10.867 0.000) 10.867 3.608 ( -0.000 -6.242 0.000) 6.242 3.626 ( 0.000 6.334 0.000) 6.334 3.862 ( -0.000 -10.453 0.000) 10.453 4.344 ( -0.000 -18.848 0.000) 18.848 4.518 ( -0.000 -5.500 0.000) 5.500 4.796 ( -0.000 -20.257 0.000) 20.257 5.400 ( -0.000 -2.812 0.000) 2.812 5.671 ( 0.000 5.344 0.000) 5.344 5.738 ( 0.000 7.634 0.000) 7.634 5.908 ( 0.000 13.244 0.000) 13.244 6.215 ( -0.000 -9.930 0.000) 9.930 6.580 ( 0.000 15.223 0.000) 15.223 6.638 ( 0.000 6.653 0.000) 6.653 7.628 ( 0.000 0.676 0.000) 0.676 7.984 ( -0.000 -16.685 0.000) 16.685 8.389 ( 0.000 15.695 0.000) 15.695 8.926 ( -0.000 -5.759 0.000) 5.759 9.588 ( -0.000 -0.628 0.000) 0.628 9.621 ( -0.000 -12.648 0.000) 12.648 10.327 ( -0.000 -3.739 0.000) 3.739 11.125 ( -0.000 -3.184 0.000) 3.184 11.601 ( 0.000 8.213 0.000) 8.213 11.845 ( 0.000 9.682 0.000) 9.682 12.420 ( -0.000 -0.187 0.000) 0.187 12.490 ( -0.000 -1.410 0.000) 1.410 12.749 ( 0.000 0.179 0.000) 0.179 12.887 ( 0.000 6.265 0.000) 6.265 13.147 ( -0.000 -9.280 0.000) 9.280 14.051 ( -0.000 -7.937 0.000) 7.937 14.059 ( -0.000 -3.235 0.000) 3.235 14.889 ( 0.000 8.791 0.000) 8.791 15.088 ( -0.000 -0.348 0.000) 0.348 16.030 ( 0.000 0.028 0.000) 0.028 16.059 ( -0.000 -4.377 0.000) 4.377 16.425 ( -0.000 -0.281 0.000) 0.281 17.008 ( -0.000 -0.100 0.000) 0.100 17.216 ( -0.000 -11.765 0.000) 11.765 18.187 ( 0.000 10.003 0.000) 10.003 20.252 ( -0.000 -17.618 0.000) 17.618 21.766 ( 0.000 12.935 0.000) 12.935 22.874 ( -0.000 -6.185 0.000) 6.185 ======================= Grid point 56 (38/147) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( 5.002 0.000 0.000) 5.002 3.223 ( 0.214 0.000 0.000) 0.214 3.370 ( -11.166 -0.000 0.000) 11.166 3.427 ( -8.928 -0.000 0.000) 8.928 3.692 ( -4.888 -0.000 0.000) 4.888 4.002 ( -3.045 -0.000 0.000) 3.045 4.054 ( -10.181 -0.000 0.000) 10.181 4.281 ( -7.429 -0.000 0.000) 7.429 4.657 ( -2.681 -0.000 0.000) 2.681 4.689 ( -2.159 -0.000 0.000) 2.159 4.898 ( 0.991 0.000 0.000) 0.991 5.434 ( -7.737 -0.000 0.000) 7.737 5.674 ( -15.853 -0.000 0.000) 15.853 6.372 ( -2.749 -0.000 0.000) 2.749 6.905 ( -14.626 -0.000 0.000) 14.626 6.929 ( -7.844 -0.000 0.000) 7.844 7.384 ( 0.259 0.000 0.000) 0.259 7.478 ( -8.417 -0.000 0.000) 8.417 7.586 ( -23.420 -0.000 0.000) 23.420 7.922 ( -22.819 -0.000 0.000) 22.819 7.997 ( -14.185 -0.000 0.000) 14.185 8.383 ( -8.422 -0.000 0.000) 8.422 8.530 ( -13.664 -0.000 0.000) 13.664 9.013 ( 11.593 0.000 0.000) 11.593 9.301 ( -1.019 -0.000 0.000) 1.019 9.432 ( -15.971 -0.000 0.000) 15.971 10.096 ( -19.422 -0.000 0.000) 19.422 10.187 ( -0.106 -0.000 0.000) 0.106 10.235 ( 19.230 0.000 0.000) 19.230 10.566 ( 26.552 0.000 0.000) 26.552 11.095 ( 12.441 0.000 0.000) 12.441 11.299 ( 10.124 0.000 0.000) 10.124 11.604 ( 18.619 0.000 0.000) 18.619 12.096 ( 25.425 0.000 0.000) 25.425 13.201 ( 9.115 0.000 0.000) 9.115 13.664 ( 19.143 0.000 0.000) 19.143 14.080 ( 6.576 0.000 0.000) 6.576 14.106 ( 3.003 0.000 0.000) 3.003 15.872 ( -24.464 -0.000 0.000) 24.464 16.303 ( -24.106 -0.000 0.000) 24.106 16.677 ( -6.543 -0.000 0.000) 6.543 17.236 ( -6.103 -0.000 0.000) 6.103 18.605 ( -4.798 -0.000 0.000) 4.798 18.990 ( -5.771 -0.000 0.000) 5.771 18.995 ( -1.152 -0.000 0.000) 1.152 19.865 ( -5.899 -0.000 0.000) 5.899 21.877 ( 7.748 0.000 0.000) 7.748 22.005 ( 2.015 0.000 0.000) 2.015 ======================= Grid point 58 (39/147) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.017 ( -4.806 14.561 0.000) 15.333 3.084 ( -11.545 9.169 0.000) 14.743 3.215 ( -5.847 -12.958 0.000) 14.216 3.235 ( -10.018 -0.543 0.000) 10.033 3.609 ( -5.482 -1.698 0.000) 5.739 3.780 ( -17.247 2.656 0.000) 17.450 3.896 ( -8.029 0.939 0.000) 8.083 4.133 ( -9.463 -6.401 0.000) 11.425 4.582 ( -4.629 1.937 0.000) 5.017 4.646 ( -4.961 -5.662 0.000) 7.528 4.910 ( -2.727 -6.877 0.000) 7.398 5.103 ( -16.128 24.697 0.000) 29.497 5.461 ( -17.302 -26.154 0.000) 31.359 6.213 ( -16.196 8.820 0.000) 18.442 6.530 ( -17.529 8.820 0.000) 19.623 6.697 ( -15.354 3.163 0.000) 15.676 7.111 ( -16.693 6.846 0.000) 18.042 7.374 ( -0.983 4.402 0.000) 4.510 7.407 ( -11.994 -22.158 0.000) 25.196 7.552 ( -15.097 -1.466 0.000) 15.168 7.678 ( -15.803 4.003 0.000) 16.302 8.148 ( -27.168 -2.966 0.000) 27.330 8.328 ( 1.878 -2.718 0.000) 3.303 9.105 ( -17.162 1.506 0.000) 17.228 9.211 ( 8.969 0.951 0.000) 9.019 9.383 ( 6.159 -0.584 0.000) 6.186 9.742 ( -14.078 0.564 0.000) 14.089 10.279 ( 9.856 -0.434 0.000) 9.865 10.626 ( 21.858 1.571 0.000) 21.914 11.044 ( 24.374 1.007 0.000) 24.395 11.357 ( 15.059 -1.076 0.000) 15.098 11.497 ( 11.180 0.293 0.000) 11.184 12.011 ( 24.248 4.635 0.000) 24.687 12.589 ( 26.334 0.951 0.000) 26.352 13.409 ( 11.986 -0.466 0.000) 11.995 14.045 ( 20.678 1.315 0.000) 20.720 14.157 ( 4.648 5.991 0.000) 7.583 14.274 ( 12.463 -3.557 0.000) 12.960 15.331 ( -33.550 -3.482 0.000) 33.730 15.779 ( -32.752 -7.089 0.000) 33.511 16.509 ( -11.696 -0.490 0.000) 11.706 17.077 ( -10.444 0.615 0.000) 10.462 18.425 ( -13.631 2.234 0.000) 13.813 18.843 ( -9.694 0.772 0.000) 9.724 18.925 ( -5.647 1.616 0.000) 5.874 19.773 ( -4.617 -3.107 0.000) 5.565 22.008 ( 4.650 4.297 0.000) 6.331 22.059 ( 5.697 -2.830 0.000) 6.361 ======================= Grid point 59 (40/147) ======================= q-point: (-0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( -23.197 8.110 0.000) 24.574 2.724 ( -12.667 15.767 0.000) 20.225 3.072 ( -7.153 1.465 0.000) 7.301 3.250 ( -1.478 -10.768 0.000) 10.869 3.347 ( -21.010 3.895 0.000) 21.368 3.545 ( -4.922 1.217 0.000) 5.070 3.697 ( -11.281 1.605 0.000) 11.394 4.027 ( -8.385 -10.913 0.000) 13.762 4.449 ( -8.140 2.535 0.000) 8.526 4.564 ( -8.271 -6.838 0.000) 10.732 4.598 ( -18.091 21.557 0.000) 28.143 4.846 ( -13.316 -11.809 0.000) 17.798 5.335 ( -14.720 -26.187 0.000) 30.040 5.632 ( -25.859 23.992 0.000) 35.274 6.153 ( -20.008 4.600 0.000) 20.530 6.359 ( -18.399 -1.136 0.000) 18.434 6.887 ( -2.859 7.208 0.000) 7.754 7.161 ( -12.502 19.663 0.000) 23.301 7.315 ( -8.082 -8.764 0.000) 11.922 7.386 ( -11.373 -15.774 0.000) 19.446 7.445 ( -13.698 1.892 0.000) 13.828 7.646 ( -21.773 -9.574 0.000) 23.785 8.472 ( 9.555 -2.836 0.000) 9.967 8.839 ( -7.841 -1.635 0.000) 8.010 9.220 ( -12.189 6.709 0.000) 13.914 9.376 ( 3.799 -2.329 0.000) 4.456 9.797 ( 13.564 -1.611 0.000) 13.660 10.535 ( 15.040 -1.430 0.000) 15.108 11.014 ( 20.421 2.937 0.000) 20.631 11.459 ( 20.545 3.780 0.000) 20.890 11.697 ( 20.079 -1.202 0.000) 20.115 11.737 ( 15.244 -0.065 0.000) 15.244 12.392 ( 20.752 12.940 0.000) 24.456 13.056 ( 22.857 0.126 0.000) 22.858 13.638 ( 11.203 -0.874 0.000) 11.237 14.119 ( -6.719 10.123 0.000) 12.149 14.401 ( 18.062 2.908 0.000) 18.295 14.587 ( 6.374 7.723 0.000) 10.013 14.705 ( -24.613 -16.881 0.000) 29.846 15.284 ( -22.407 -20.707 0.000) 30.510 16.231 ( -18.477 -1.340 0.000) 18.526 16.832 ( -14.844 0.879 0.000) 14.870 18.061 ( -22.301 3.904 0.000) 22.640 18.603 ( -15.714 -0.252 0.000) 15.716 18.769 ( -7.998 4.627 0.000) 9.240 19.742 ( -2.743 -8.228 0.000) 8.673 22.025 ( 1.947 5.009 0.000) 5.374 22.233 ( 10.011 -0.863 0.000) 10.048 ======================= Grid point 60 (41/147) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -34.323 5.805 0.000) 34.810 2.355 ( -13.261 18.292 0.000) 22.593 2.848 ( -16.749 7.099 0.000) 18.191 3.037 ( -5.499 -0.589 0.000) 5.530 3.256 ( -5.735 -4.775 0.000) 7.463 3.460 ( -2.244 4.082 0.000) 4.658 3.502 ( -7.224 -3.415 0.000) 7.990 3.947 ( -6.577 -5.594 0.000) 8.634 4.166 ( -14.534 6.422 0.000) 15.889 4.259 ( -9.459 7.189 0.000) 11.881 4.410 ( -19.669 1.514 0.000) 19.727 4.493 ( -20.924 -11.576 0.000) 23.913 5.121 ( -11.756 19.788 0.000) 23.016 5.295 ( -8.103 -26.360 0.000) 27.577 5.738 ( -18.892 3.506 0.000) 19.214 6.047 ( -14.784 -1.192 0.000) 14.832 6.738 ( -16.980 19.678 0.000) 25.992 6.833 ( 1.428 8.352 0.000) 8.473 6.977 ( -22.563 7.011 0.000) 23.628 7.144 ( -13.266 0.521 0.000) 13.276 7.380 ( -2.704 -21.981 0.000) 22.146 7.568 ( -2.115 -7.986 0.000) 8.262 8.633 ( 7.531 1.585 0.000) 7.696 8.929 ( -11.255 7.572 0.000) 13.565 8.930 ( 10.258 -11.889 0.000) 15.702 9.474 ( 4.173 -1.412 0.000) 4.406 10.058 ( 11.483 -0.955 0.000) 11.523 10.812 ( 11.629 -2.944 0.000) 11.996 11.349 ( 17.415 3.940 0.000) 17.856 11.750 ( 14.057 7.390 0.000) 15.881 12.035 ( 17.367 0.147 0.000) 17.367 12.181 ( 27.879 -1.925 0.000) 27.946 12.572 ( 9.457 18.813 0.000) 21.056 13.393 ( 7.659 2.117 0.000) 7.946 13.762 ( -20.299 -9.739 0.000) 22.514 13.832 ( 8.304 -1.270 0.000) 8.401 13.911 ( -40.730 3.416 0.000) 40.873 14.683 ( 14.465 4.618 0.000) 15.184 15.041 ( 16.560 -16.077 0.000) 23.080 15.465 ( 26.844 -9.202 0.000) 28.377 15.831 ( -24.677 -2.429 0.000) 24.797 16.514 ( -17.656 0.861 0.000) 17.677 17.543 ( -29.147 3.224 0.000) 29.325 18.241 ( -23.611 -1.686 0.000) 23.671 18.581 ( -6.984 7.140 0.000) 9.987 19.781 ( -0.979 -13.093 0.000) 13.130 22.020 ( 1.825 6.998 0.000) 7.232 22.440 ( 11.071 -0.939 0.000) 11.111 ======================= Grid point 61 (42/147) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -39.608 5.891 0.000) 40.044 1.995 ( -9.133 22.216 0.000) 24.020 2.510 ( -11.965 5.609 0.000) 13.214 3.020 ( 2.540 2.264 0.000) 3.403 3.104 ( -8.703 -0.550 0.000) 8.720 3.405 ( 1.299 9.402 0.000) 9.491 3.511 ( 2.495 -6.962 0.000) 7.396 3.836 ( -26.425 5.493 0.000) 26.990 3.848 ( -3.248 6.481 0.000) 7.249 3.916 ( -10.211 4.653 0.000) 11.221 4.080 ( -7.245 -7.976 0.000) 10.775 4.403 ( -3.045 -7.758 0.000) 8.334 4.793 ( -12.288 11.181 0.000) 16.613 5.396 ( -0.960 -26.651 0.000) 26.668 5.451 ( -9.402 0.186 0.000) 9.404 5.831 ( -7.746 1.572 0.000) 7.904 6.301 ( -15.424 11.659 0.000) 19.335 6.584 ( -9.999 18.739 0.000) 21.240 6.792 ( -0.351 8.167 0.000) 8.174 6.898 ( -8.165 5.972 0.000) 10.116 7.531 ( 0.921 -23.513 0.000) 23.532 7.589 ( -0.875 -5.500 0.000) 5.570 8.710 ( -5.524 9.582 0.000) 11.060 8.780 ( 7.728 0.198 0.000) 7.730 9.234 ( 9.744 -14.282 0.000) 17.290 9.546 ( 2.328 -1.344 0.000) 2.689 10.225 ( 5.447 -0.979 0.000) 5.535 10.998 ( 5.470 -3.825 0.000) 6.675 11.617 ( 13.630 5.238 0.000) 14.602 11.898 ( 8.959 9.988 0.000) 13.417 12.336 ( 12.780 -0.523 0.000) 12.791 12.512 ( -3.697 8.719 0.000) 9.471 12.734 ( 25.987 -2.978 0.000) 26.157 13.141 ( -31.327 2.996 0.000) 31.469 13.183 ( -18.344 0.504 0.000) 18.351 13.803 ( 4.242 -12.048 0.000) 12.773 13.964 ( 4.391 -1.737 0.000) 4.722 14.884 ( 10.626 6.101 0.000) 12.253 15.373 ( -23.641 -2.628 0.000) 23.787 15.550 ( 26.231 -10.877 0.000) 28.397 16.162 ( 38.934 0.542 0.000) 38.938 16.188 ( -14.667 0.549 0.000) 14.677 16.956 ( -29.600 -1.345 0.000) 29.631 17.721 ( -33.094 -2.619 0.000) 33.198 18.422 ( -3.796 8.658 0.000) 9.454 19.877 ( 0.023 -16.549 0.000) 16.549 21.993 ( 1.125 9.211 0.000) 9.280 22.651 ( 8.975 -3.604 0.000) 9.671 ======================= Grid point 62 (43/147) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 0.000 10.088 0.000) 10.088 1.735 ( 0.000 25.812 0.000) 25.812 2.357 ( 0.000 4.902 0.000) 4.902 3.021 ( -0.000 -1.607 0.000) 1.607 3.038 ( 0.000 4.520 0.000) 4.520 3.322 ( 0.000 34.219 0.000) 34.219 3.518 ( -0.000 -6.580 0.000) 6.580 3.634 ( -0.000 -3.910 0.000) 3.910 3.703 ( 0.000 4.831 0.000) 4.831 3.779 ( 0.000 7.587 0.000) 7.587 4.102 ( -0.000 -15.899 0.000) 15.899 4.438 ( -0.000 -5.788 0.000) 5.788 4.608 ( -0.000 -3.408 0.000) 3.408 5.371 ( -0.000 -1.471 0.000) 1.471 5.582 ( -0.000 -24.435 0.000) 24.435 5.737 ( 0.000 3.844 0.000) 3.844 6.069 ( 0.000 9.848 0.000) 9.848 6.340 ( 0.000 21.621 0.000) 21.621 6.723 ( 0.000 5.481 0.000) 5.481 6.771 ( 0.000 12.354 0.000) 12.354 7.611 ( -0.000 -3.297 0.000) 3.297 7.706 ( -0.000 -22.947 0.000) 22.947 8.584 ( 0.000 11.983 0.000) 11.983 8.870 ( -0.000 -2.124 0.000) 2.124 9.433 ( -0.000 -14.202 0.000) 14.202 9.577 ( -0.000 -1.092 0.000) 1.092 10.284 ( -0.000 -2.001 0.000) 2.001 11.076 ( -0.000 -3.915 0.000) 3.915 11.714 ( 0.000 7.871 0.000) 7.871 11.970 ( 0.000 7.902 0.000) 7.902 12.418 ( -0.000 -0.173 0.000) 0.173 12.472 ( -0.000 -1.061 0.000) 1.061 12.752 ( 0.000 0.167 0.000) 0.167 12.988 ( 0.000 8.462 0.000) 8.462 13.049 ( -0.000 -5.081 0.000) 5.081 13.923 ( -0.000 -10.440 0.000) 10.440 14.020 ( -0.000 -2.352 0.000) 2.352 14.991 ( 0.000 6.058 0.000) 6.058 15.083 ( -0.000 -0.327 0.000) 0.327 15.994 ( -0.000 -4.750 0.000) 4.750 16.030 ( 0.000 0.026 0.000) 0.026 16.421 ( -0.000 -0.265 0.000) 0.265 17.007 ( -0.000 -0.095 0.000) 0.095 17.085 ( -0.000 -7.131 0.000) 7.131 18.323 ( 0.000 9.481 0.000) 9.481 20.000 ( -0.000 -18.203 0.000) 18.203 21.933 ( 0.000 10.975 0.000) 10.975 22.786 ( -0.000 -6.386 0.000) 6.386 ======================= Grid point 71 (44/147) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( -25.554 -0.000 0.000) 25.554 2.864 ( -14.963 -0.000 0.000) 14.963 3.084 ( -6.413 -0.000 0.000) 6.413 3.145 ( 1.594 0.000 0.000) 1.594 3.375 ( -21.592 -0.000 0.000) 21.592 3.556 ( -4.459 -0.000 0.000) 4.459 3.721 ( -11.220 -0.000 0.000) 11.220 3.934 ( -8.061 -0.000 0.000) 8.061 4.467 ( -8.882 -0.000 0.000) 8.882 4.514 ( -6.738 -0.000 0.000) 6.738 4.759 ( -12.413 -0.000 0.000) 12.413 4.850 ( -22.221 -0.000 0.000) 22.221 5.053 ( -10.881 -0.000 0.000) 10.881 5.843 ( -24.369 -0.000 0.000) 24.369 6.131 ( -23.094 -0.000 0.000) 23.094 6.379 ( -19.257 -0.000 0.000) 19.257 6.985 ( -1.324 -0.000 0.000) 1.324 7.139 ( -8.158 -0.000 0.000) 8.158 7.329 ( -9.304 -0.000 0.000) 9.304 7.388 ( -14.714 -0.000 0.000) 14.714 7.397 ( 0.098 0.000 0.000) 0.098 7.552 ( -32.907 -0.000 0.000) 32.907 8.451 ( 11.019 0.000 0.000) 11.019 8.829 ( -10.486 -0.000 0.000) 10.486 9.268 ( -14.836 -0.000 0.000) 14.836 9.357 ( 6.160 0.000 0.000) 6.160 9.787 ( 14.246 0.000 0.000) 14.246 10.524 ( 14.688 0.000 0.000) 14.688 11.034 ( 20.258 0.000 0.000) 20.258 11.485 ( 20.999 0.000 0.000) 20.999 11.689 ( 21.022 0.000 0.000) 21.022 11.737 ( 14.437 0.000 0.000) 14.437 12.490 ( 23.171 0.000 0.000) 23.171 13.050 ( 21.102 0.000 0.000) 21.102 13.632 ( 11.207 0.000 0.000) 11.207 14.224 ( -10.158 -0.000 0.000) 10.158 14.422 ( 18.173 0.000 0.000) 18.173 14.516 ( 6.332 0.000 0.000) 6.332 14.703 ( -20.314 -0.000 0.000) 20.314 15.114 ( -24.153 -0.000 0.000) 24.153 16.222 ( -18.585 -0.000 0.000) 18.585 16.838 ( -14.961 -0.000 0.000) 14.961 18.089 ( -22.684 -0.000 0.000) 22.684 18.602 ( -16.107 -0.000 0.000) 16.107 18.803 ( -7.536 -0.000 0.000) 7.536 19.682 ( -3.511 -0.000 0.000) 3.511 22.063 ( 1.668 0.000 0.000) 1.668 22.222 ( 10.408 0.000 0.000) 10.408 ======================= Grid point 73 (45/147) ======================= q-point: (-0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( -35.940 2.017 0.000) 35.997 2.553 ( -13.639 8.772 0.000) 16.216 2.933 ( -19.039 4.538 0.000) 19.573 3.018 ( -3.455 -1.924 0.000) 3.954 3.178 ( -1.109 -4.682 0.000) 4.812 3.485 ( -3.175 0.504 0.000) 3.215 3.489 ( -11.236 0.613 0.000) 11.253 3.840 ( -4.375 -5.705 0.000) 7.190 4.212 ( -16.645 1.211 0.000) 16.689 4.376 ( -29.130 -4.151 0.000) 29.424 4.399 ( -5.644 -1.738 0.000) 5.905 4.475 ( -9.110 17.305 0.000) 19.556 4.952 ( -8.343 -20.574 0.000) 22.202 5.424 ( -11.701 18.426 0.000) 21.827 5.733 ( -20.544 -4.397 0.000) 21.009 6.029 ( -16.104 -0.903 0.000) 16.129 6.913 ( -29.373 5.054 0.000) 29.805 6.946 ( 0.404 8.714 0.000) 8.723 7.102 ( -4.835 -13.408 0.000) 14.253 7.109 ( -10.692 10.431 0.000) 14.937 7.153 ( -8.015 -2.485 0.000) 8.391 7.441 ( -0.797 -8.728 0.000) 8.764 8.672 ( 10.376 3.708 0.000) 11.018 8.792 ( 6.138 -7.422 0.000) 9.631 8.997 ( -11.768 2.373 0.000) 12.004 9.456 ( 4.097 -0.866 0.000) 4.188 10.058 ( 12.533 0.381 0.000) 12.538 10.781 ( 11.107 -1.291 0.000) 11.182 11.384 ( 17.193 1.221 0.000) 17.237 11.814 ( 14.221 2.149 0.000) 14.383 12.039 ( 17.095 0.296 0.000) 17.097 12.162 ( 28.144 -0.773 0.000) 28.154 12.802 ( 10.702 11.433 0.000) 15.660 13.378 ( 11.842 -2.770 0.000) 12.162 13.637 ( -35.898 -5.777 0.000) 36.359 13.820 ( 8.294 -0.450 0.000) 8.306 13.982 ( -43.128 4.250 0.000) 43.337 14.727 ( 14.667 1.633 0.000) 14.757 14.862 ( 21.137 -7.951 0.000) 22.583 15.391 ( 35.644 -2.296 0.000) 35.718 15.809 ( -24.796 -0.782 0.000) 24.809 16.522 ( -17.861 0.298 0.000) 17.864 17.576 ( -30.589 1.265 0.000) 30.615 18.228 ( -23.798 -0.382 0.000) 23.801 18.654 ( -6.648 2.969 0.000) 7.281 19.649 ( -1.806 -5.278 0.000) 5.578 22.089 ( 2.014 2.745 0.000) 3.404 22.423 ( 10.104 -0.954 0.000) 10.149 ======================= Grid point 74 (46/147) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -38.823 3.283 0.000) 38.962 2.255 ( -8.627 14.476 0.000) 16.852 2.578 ( -13.104 3.835 0.000) 13.654 3.052 ( 5.629 2.059 0.000) 5.994 3.099 ( -7.854 -0.346 0.000) 7.862 3.404 ( 0.291 -6.912 0.000) 6.918 3.436 ( -1.932 -0.819 0.000) 2.098 3.831 ( -1.962 -6.181 0.000) 6.485 3.832 ( -27.775 -4.689 0.000) 28.168 3.924 ( -10.989 0.369 0.000) 10.996 4.215 ( -5.430 19.961 0.000) 20.686 4.343 ( -1.390 -2.223 0.000) 2.622 5.018 ( -2.395 -26.908 0.000) 27.015 5.083 ( -9.171 26.245 0.000) 27.801 5.448 ( -10.432 -1.136 0.000) 10.493 5.819 ( -7.804 -3.440 0.000) 8.529 6.406 ( -19.120 4.521 0.000) 19.648 6.858 ( -5.269 18.406 0.000) 19.145 6.872 ( -4.870 3.481 0.000) 5.987 6.974 ( -2.647 4.821 0.000) 5.500 7.225 ( 0.316 -18.818 0.000) 18.821 7.488 ( -0.654 -8.626 0.000) 8.651 8.806 ( -5.826 4.404 0.000) 7.304 8.811 ( 7.915 4.280 0.000) 8.998 9.047 ( 9.346 -12.348 0.000) 15.486 9.524 ( 2.182 -1.544 0.000) 2.673 10.229 ( 6.074 1.166 0.000) 6.185 10.950 ( 5.260 -2.783 0.000) 5.951 11.673 ( 14.538 2.759 0.000) 14.797 11.993 ( 7.400 4.077 0.000) 8.448 12.334 ( 12.624 0.073 0.000) 12.625 12.630 ( -16.666 7.153 0.000) 18.136 12.705 ( 25.663 -1.336 0.000) 25.698 13.169 ( -36.429 1.542 0.000) 36.462 13.220 ( -5.958 4.415 0.000) 7.415 13.633 ( 5.250 -11.743 0.000) 12.863 13.945 ( 4.354 -0.880 0.000) 4.442 14.952 ( 10.572 3.457 0.000) 11.123 15.343 ( -23.023 -1.625 0.000) 23.080 15.429 ( 31.632 -6.133 0.000) 32.221 16.171 ( 43.110 0.521 0.000) 43.113 16.194 ( -15.052 0.278 0.000) 15.055 16.945 ( -33.964 -0.326 0.000) 33.965 17.699 ( -32.732 -0.858 0.000) 32.744 18.524 ( -3.676 5.686 0.000) 6.771 19.684 ( -0.498 -10.597 0.000) 10.608 22.095 ( 1.391 5.365 0.000) 5.542 22.603 ( 6.966 -2.989 0.000) 7.580 ======================= Grid point 75 (47/147) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 0.000 6.507 0.000) 6.507 2.052 ( 0.000 19.414 0.000) 19.414 2.422 ( 0.000 4.205 0.000) 4.205 3.011 ( -0.000 -0.026 0.000) 0.026 3.116 ( 0.000 7.163 0.000) 7.163 3.433 ( -0.000 -5.351 0.000) 5.351 3.496 ( -0.000 -11.129 0.000) 11.129 3.545 ( -0.000 -0.599 0.000) 0.599 3.757 ( 0.000 2.919 0.000) 2.919 3.914 ( -0.000 -10.982 0.000) 10.982 4.008 ( 0.000 20.951 0.000) 20.951 4.366 ( -0.000 -4.346 0.000) 4.346 4.781 ( 0.000 26.085 0.000) 26.085 5.200 ( -0.000 -29.060 0.000) 29.060 5.358 ( -0.000 -0.575 0.000) 0.575 5.763 ( -0.000 -0.730 0.000) 0.730 6.179 ( 0.000 6.064 0.000) 6.064 6.662 ( 0.000 22.824 0.000) 22.824 6.786 ( 0.000 3.547 0.000) 3.547 6.917 ( 0.000 8.447 0.000) 8.447 7.377 ( -0.000 -23.108 0.000) 23.108 7.536 ( -0.000 -7.351 0.000) 7.351 8.713 ( 0.000 6.689 0.000) 6.689 8.871 ( 0.000 2.311 0.000) 2.311 9.238 ( -0.000 -13.781 0.000) 13.781 9.557 ( -0.000 -1.743 0.000) 1.743 10.277 ( 0.000 0.874 0.000) 0.874 11.022 ( -0.000 -3.658 0.000) 3.658 11.812 ( 0.000 6.099 0.000) 6.099 12.053 ( 0.000 3.957 0.000) 3.957 12.416 ( -0.000 -0.120 0.000) 0.120 12.463 ( -0.000 -0.254 0.000) 0.254 12.754 ( 0.000 0.117 0.000) 0.117 12.999 ( -0.000 -2.386 0.000) 2.386 13.122 ( 0.000 10.775 0.000) 10.775 13.766 ( -0.000 -12.003 0.000) 12.003 13.995 ( -0.000 -1.342 0.000) 1.342 15.057 ( 0.000 3.492 0.000) 3.492 15.079 ( -0.000 -0.232 0.000) 0.232 15.937 ( -0.000 -3.277 0.000) 3.277 16.031 ( 0.000 0.018 0.000) 0.018 16.418 ( -0.000 -0.188 0.000) 0.188 17.006 ( -0.000 -0.067 0.000) 0.067 17.014 ( -0.000 -3.378 0.000) 3.378 18.443 ( 0.000 7.555 0.000) 7.555 19.768 ( -0.000 -14.571 0.000) 14.571 22.064 ( 0.000 7.660 0.000) 7.660 22.704 ( -0.000 -5.199 0.000) 5.199 ======================= Grid point 86 (48/147) ======================= q-point: (-0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -38.558 -0.000 0.000) 38.558 2.363 ( -8.788 -0.000 0.000) 8.788 2.606 ( -13.656 -0.000 0.000) 13.656 3.068 ( 7.543 0.000 0.000) 7.543 3.094 ( -6.448 -0.000 0.000) 6.448 3.352 ( -1.667 -0.000 0.000) 1.667 3.428 ( -2.563 -0.000 0.000) 2.563 3.779 ( -0.705 -0.000 0.000) 0.705 3.787 ( -29.000 -0.000 0.000) 29.000 3.930 ( -12.049 -0.000 0.000) 12.049 4.328 ( -1.569 -0.000 0.000) 1.569 4.437 ( -3.435 -0.000 0.000) 3.435 4.751 ( -3.873 -0.000 0.000) 3.873 5.370 ( -13.939 -0.000 0.000) 13.939 5.382 ( -3.134 -0.000 0.000) 3.134 5.772 ( -9.243 -0.000 0.000) 9.243 6.437 ( -19.595 -0.000 0.000) 19.595 6.895 ( -6.685 -0.000 0.000) 6.685 7.012 ( -4.809 -0.000 0.000) 4.809 7.027 ( -2.658 -0.000 0.000) 2.658 7.066 ( 2.186 0.000 0.000) 2.186 7.404 ( -0.191 -0.000 0.000) 0.191 8.836 ( -5.946 -0.000 0.000) 5.946 8.898 ( 8.598 0.000 0.000) 8.598 8.903 ( 8.587 0.000 0.000) 8.587 9.512 ( 2.138 0.000 0.000) 2.138 10.240 ( 6.302 0.000 0.000) 6.302 10.929 ( 5.168 0.000 0.000) 5.168 11.692 ( 14.989 0.000 0.000) 14.989 12.020 ( 6.903 0.000 0.000) 6.903 12.335 ( 12.551 0.000 0.000) 12.551 12.683 ( -23.805 -0.000 0.000) 23.805 12.695 ( 25.619 0.000 0.000) 25.619 13.181 ( -37.777 -0.000 0.000) 37.777 13.270 ( 0.652 0.000 0.000) 0.652 13.530 ( 5.191 0.000 0.000) 5.191 13.939 ( 4.365 0.000 0.000) 4.365 14.976 ( 10.690 0.000 0.000) 10.690 15.331 ( -23.028 -0.000 0.000) 23.028 15.386 ( 33.788 0.000 0.000) 33.788 16.174 ( 44.364 0.000 0.000) 44.364 16.196 ( -15.180 -0.000 0.000) 15.180 16.944 ( -35.502 -0.000 0.000) 35.502 17.693 ( -32.653 -0.000 0.000) 32.653 18.566 ( -3.623 -0.000 0.000) 3.623 19.607 ( -0.696 -0.000 0.000) 0.696 22.134 ( 1.470 0.000 0.000) 1.470 22.580 ( 6.392 0.000 0.000) 6.392 ======================= Grid point 88 (49/147) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 0.000 2.253 0.000) 2.253 2.248 ( 0.000 7.910 0.000) 7.910 2.465 ( 0.000 1.735 0.000) 1.735 3.015 ( 0.000 0.278 0.000) 0.278 3.232 ( 0.000 8.551 0.000) 8.551 3.374 ( -0.000 -5.250 0.000) 5.250 3.379 ( -0.000 -2.142 0.000) 2.142 3.443 ( -0.000 -9.538 0.000) 9.538 3.779 ( -0.000 -0.226 0.000) 0.226 3.813 ( -0.000 -2.835 0.000) 2.835 4.314 ( 0.000 20.890 0.000) 20.890 4.323 ( -0.000 -1.604 0.000) 1.604 4.817 ( -0.000 -23.714 0.000) 23.714 5.152 ( 0.000 20.366 0.000) 20.366 5.353 ( -0.000 -0.135 0.000) 0.135 5.710 ( -0.000 -5.740 0.000) 5.740 6.235 ( 0.000 2.047 0.000) 2.047 6.819 ( 0.000 1.222 0.000) 1.222 6.922 ( 0.000 12.351 0.000) 12.351 6.997 ( 0.000 2.941 0.000) 2.941 7.126 ( -0.000 -10.731 0.000) 10.731 7.427 ( -0.000 -6.644 0.000) 6.644 8.773 ( 0.000 2.042 0.000) 2.042 8.935 ( 0.000 6.987 0.000) 6.987 9.063 ( -0.000 -11.190 0.000) 11.190 9.536 ( -0.000 -0.972 0.000) 0.972 10.295 ( 0.000 1.066 0.000) 1.066 10.983 ( -0.000 -1.610 0.000) 1.610 11.874 ( 0.000 2.478 0.000) 2.478 12.083 ( 0.000 0.840 0.000) 0.840 12.414 ( -0.000 -0.043 0.000) 0.043 12.462 ( 0.000 0.050 0.000) 0.050 12.755 ( 0.000 0.042 0.000) 0.042 12.979 ( -0.000 -0.716 0.000) 0.716 13.266 ( 0.000 8.271 0.000) 8.271 13.612 ( -0.000 -8.606 0.000) 8.606 13.983 ( -0.000 -0.420 0.000) 0.420 15.077 ( -0.000 -0.084 0.000) 0.084 15.089 ( 0.000 1.136 0.000) 1.136 15.906 ( -0.000 -1.101 0.000) 1.101 16.031 ( 0.000 0.006 0.000) 0.006 16.416 ( -0.000 -0.068 0.000) 0.068 16.985 ( -0.000 -0.960 0.000) 0.960 17.005 ( -0.000 -0.024 0.000) 0.024 18.520 ( 0.000 3.164 0.000) 3.164 19.621 ( -0.000 -5.857 0.000) 5.857 22.139 ( 0.000 2.902 0.000) 2.902 22.651 ( -0.000 -2.150 0.000) 2.150 ======================= Grid point 175 (50/147) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 0.000 0.000 32.447) 32.447 0.646 ( 0.000 0.000 34.504) 34.504 1.220 ( 0.000 0.000 64.045) 64.045 2.054 ( 0.000 0.000 -14.459) 14.459 2.528 ( 0.000 0.000 -31.708) 31.708 3.366 ( 0.000 0.000 4.050) 4.050 3.372 ( 0.000 0.000 6.119) 6.119 3.774 ( 0.000 0.000 2.619) 2.619 3.785 ( 0.000 0.000 33.201) 33.201 4.038 ( 0.000 0.000 -14.656) 14.656 4.511 ( 0.000 0.000 -13.013) 13.013 4.896 ( 0.000 0.000 -16.408) 16.408 5.110 ( 0.000 0.000 -0.716) 0.716 5.141 ( 0.000 0.000 -6.058) 6.058 5.473 ( 0.000 0.000 -19.027) 19.027 5.617 ( 0.000 0.000 -14.398) 14.398 5.738 ( 0.000 0.000 15.964) 15.964 6.056 ( 0.000 0.000 23.765) 23.765 6.389 ( 0.000 0.000 -5.102) 5.102 6.824 ( 0.000 0.000 -2.777) 2.777 7.623 ( 0.000 0.000 12.973) 12.973 8.240 ( 0.000 0.000 -4.377) 4.377 8.549 ( 0.000 0.000 3.687) 3.687 8.901 ( 0.000 0.000 -5.235) 5.235 9.927 ( 0.000 0.000 1.679) 1.679 10.274 ( 0.000 0.000 -10.705) 10.705 10.946 ( 0.000 0.000 14.228) 14.228 11.249 ( 0.000 0.000 6.078) 6.078 11.371 ( 0.000 0.000 -1.684) 1.684 11.925 ( 0.000 0.000 -10.234) 10.234 12.451 ( 0.000 0.000 2.734) 2.734 12.708 ( 0.000 0.000 -3.699) 3.699 12.801 ( 0.000 0.000 5.378) 5.378 13.167 ( 0.000 0.000 -5.075) 5.075 13.602 ( 0.000 0.000 4.664) 4.664 14.119 ( 0.000 0.000 -9.293) 9.293 14.240 ( 0.000 0.000 3.861) 3.861 14.476 ( 0.000 0.000 -2.102) 2.102 15.168 ( 0.000 0.000 7.429) 7.429 15.784 ( 0.000 0.000 8.607) 8.607 15.878 ( 0.000 0.000 -13.015) 13.015 16.289 ( 0.000 0.000 -4.732) 4.732 16.554 ( 0.000 0.000 9.940) 9.940 16.979 ( 0.000 0.000 -3.392) 3.392 20.412 ( 0.000 0.000 1.804) 1.804 20.628 ( 0.000 0.000 -4.265) 4.265 21.113 ( 0.000 0.000 4.609) 4.609 21.359 ( 0.000 0.000 -2.219) 2.219 ======================= Grid point 176 (51/147) ======================= q-point: ( 0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 6.541 -26.283 26.430) 37.843 0.959 ( 25.277 -4.466 21.324) 33.370 1.646 ( 35.558 -8.099 45.742) 58.500 2.147 ( 9.220 -1.029 -14.267) 17.018 2.556 ( 2.257 -3.795 -31.262) 31.572 3.360 ( 3.612 5.146 6.435) 8.997 3.480 ( 6.497 -5.571 7.011) 11.064 3.810 ( 3.928 2.039 32.000) 32.305 3.976 ( 18.816 2.363 -2.217) 19.093 4.114 ( 6.513 0.476 -7.446) 9.904 4.615 ( 10.109 0.761 -14.290) 17.521 4.933 ( 3.748 -0.856 -17.552) 17.968 5.152 ( 9.884 8.593 -1.530) 13.186 5.303 ( 10.458 -0.344 -9.392) 14.061 5.441 ( 6.637 13.379 -16.519) 22.270 5.683 ( 2.650 -9.852 -14.895) 18.053 5.820 ( 7.841 -4.670 15.982) 18.404 6.190 ( 11.931 -3.939 21.919) 25.265 6.539 ( 12.811 -1.779 -9.666) 16.146 6.873 ( 6.747 3.510 -0.734) 7.641 7.624 ( -0.950 -3.040 12.011) 12.426 8.186 ( -4.446 0.754 -2.159) 5.000 8.423 ( -5.463 3.338 11.892) 13.506 8.815 ( -9.038 -1.833 -4.781) 10.388 9.841 ( -8.017 2.895 1.880) 8.728 10.189 ( -8.362 10.974 -4.302) 14.451 10.510 ( -39.219 15.301 48.287) 64.062 10.978 ( -21.144 -22.055 19.452) 36.220 11.182 ( -6.939 0.661 4.978) 8.566 11.325 ( -6.947 -2.582 -0.068) 7.411 12.209 ( -11.595 2.273 -13.842) 18.199 12.451 ( -17.048 5.320 -8.851) 19.932 12.716 ( -10.783 -7.281 1.504) 13.098 13.016 ( -23.323 3.963 -7.805) 24.912 13.643 ( 16.614 3.450 14.679) 22.436 14.122 ( -5.903 3.283 3.341) 7.535 14.267 ( -1.387 -1.226 3.941) 4.354 14.449 ( -6.437 -3.389 -1.287) 7.388 15.570 ( 32.080 1.336 3.614) 32.311 15.951 ( 14.283 -0.150 -12.530) 19.001 16.190 ( 3.048 11.348 -3.149) 12.165 16.295 ( 5.354 -2.294 -1.908) 6.130 17.100 ( 15.430 3.026 -4.164) 16.266 17.251 ( 40.006 -7.121 -29.851) 50.421 19.891 ( -4.141 59.494 27.942) 65.859 20.592 ( -3.515 3.564 -5.115) 7.157 21.363 ( -4.177 -28.810 -4.259) 29.421 21.434 ( -3.910 -35.776 -5.531) 36.412 ======================= Grid point 177 (52/147) ======================= q-point: ( 0.15 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 13.613 -30.494 16.153) 37.096 1.486 ( 24.906 -7.741 16.870) 31.062 2.395 ( 16.645 -2.747 -12.440) 20.960 2.442 ( 36.888 -9.178 24.884) 45.433 2.685 ( 7.883 -6.598 -28.856) 30.632 3.446 ( 8.308 2.399 9.284) 12.687 3.658 ( 7.236 -5.743 12.176) 15.284 3.925 ( 11.006 4.544 24.982) 27.674 4.212 ( 4.182 0.843 3.806) 5.717 4.353 ( 20.694 6.345 -3.410) 21.912 4.823 ( 9.956 -3.067 -14.693) 18.011 5.034 ( 6.695 4.684 -13.605) 15.870 5.274 ( 8.058 4.659 -16.421) 18.876 5.482 ( 17.440 11.005 -9.459) 22.687 5.658 ( 17.697 8.082 -5.136) 20.121 5.865 ( 12.083 -5.280 -17.881) 22.217 6.132 ( 19.666 -9.727 12.896) 25.450 6.527 ( 20.111 -2.499 18.714) 27.584 6.840 ( 16.013 -4.963 -8.493) 18.793 7.049 ( 15.021 4.083 3.062) 15.865 7.636 ( 0.191 -4.031 10.254) 11.020 8.160 ( 3.132 -0.014 -4.242) 5.273 8.391 ( 2.991 0.647 7.324) 7.937 8.642 ( -8.600 -1.594 -2.632) 9.134 9.598 ( -13.685 5.655 2.699) 15.051 9.816 ( -12.641 10.699 22.051) 27.577 10.151 ( -12.367 -4.812 -2.478) 13.499 10.767 ( -17.168 -11.071 13.614) 24.549 10.974 ( -14.196 0.419 3.109) 14.539 11.182 ( -10.374 -4.435 0.075) 11.283 11.929 ( -15.148 2.695 -12.218) 19.647 12.084 ( -17.324 5.354 -13.531) 22.624 12.438 ( -23.006 -2.219 1.362) 23.153 12.594 ( -18.384 -13.453 -1.497) 22.830 13.950 ( 5.986 -0.203 7.614) 9.687 13.977 ( -1.371 1.318 5.790) 6.095 14.200 ( -4.643 0.866 5.537) 7.277 14.299 ( -11.463 -3.992 -0.605) 12.153 16.059 ( 14.003 13.613 -3.161) 19.784 16.203 ( 18.172 9.187 3.346) 20.635 16.268 ( 18.643 4.204 -8.156) 20.779 16.453 ( 10.858 2.168 -0.532) 11.085 17.404 ( 17.717 -0.979 0.593) 17.754 17.831 ( 20.700 -3.732 -19.963) 28.999 19.552 ( 0.928 36.405 22.724) 42.926 20.470 ( -4.947 7.201 -7.695) 11.642 21.459 ( -0.141 -14.596 -0.175) 14.598 21.579 ( -4.390 -29.330 -3.715) 29.888 ======================= Grid point 178 (53/147) ======================= q-point: ( 0.23 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 16.987 -23.629 10.852) 31.059 1.985 ( 21.529 -8.458 14.582) 27.343 2.723 ( 16.012 -3.561 -14.960) 22.200 2.937 ( 14.026 -6.285 -22.853) 27.540 3.165 ( 29.697 -10.328 15.725) 35.154 3.635 ( 11.643 -1.323 10.296) 15.599 3.825 ( 6.639 -5.726 17.514) 19.586 4.142 ( 14.089 5.007 14.066) 20.529 4.264 ( 2.219 -0.704 11.388) 11.624 4.593 ( 10.019 6.953 -4.651) 13.052 5.007 ( 4.564 -3.779 -10.072) 11.686 5.083 ( 4.998 7.886 -10.813) 14.286 5.498 ( 15.072 -3.781 -22.218) 27.112 5.751 ( 18.199 12.127 -10.424) 24.226 5.939 ( 18.355 8.465 -0.155) 20.214 6.192 ( 19.189 2.356 -16.677) 25.532 6.633 ( 25.012 -6.805 9.690) 27.673 6.928 ( 21.638 3.778 12.307) 25.178 7.201 ( 16.037 -9.227 -1.506) 18.563 7.363 ( 17.748 1.319 7.201) 19.198 7.731 ( 9.037 -4.865 6.172) 11.976 8.297 ( 12.686 4.472 -7.555) 15.428 8.514 ( 7.452 -5.268 1.684) 9.280 8.577 ( 2.142 -0.672 -1.033) 2.472 9.280 ( -14.484 6.733 3.528) 16.358 9.599 ( -4.895 5.207 11.014) 13.129 9.938 ( -12.915 -3.530 -5.642) 14.529 10.459 ( -21.044 -7.443 5.916) 23.092 10.689 ( -15.456 -1.822 7.016) 17.072 11.005 ( -11.969 -5.550 0.076) 13.194 11.633 ( -14.166 1.604 -7.376) 16.052 11.751 ( -13.597 6.046 -9.939) 17.894 12.042 ( -20.287 -2.445 5.465) 21.152 12.355 ( -19.317 -17.049 -4.984) 26.243 13.766 ( -11.930 -0.361 4.392) 12.718 14.040 ( -10.726 -2.505 -2.315) 11.255 14.108 ( -6.678 0.886 4.101) 7.887 14.140 ( -0.324 -3.801 3.992) 5.521 16.141 ( 12.980 20.684 1.956) 24.497 16.475 ( 12.915 12.404 -4.038) 18.357 16.556 ( 15.819 6.692 -0.381) 17.181 16.718 ( 15.920 -1.616 -1.994) 16.125 17.760 ( 17.584 -3.721 2.714) 18.177 18.189 ( 15.205 -4.611 -11.858) 19.826 19.367 ( 0.345 22.300 17.688) 28.465 20.318 ( -5.220 8.331 -9.617) 13.753 21.564 ( 1.109 -12.896 1.389) 13.018 21.690 ( -0.965 -17.875 -1.896) 18.002 ======================= Grid point 179 (54/147) ======================= q-point: ( 0.31 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 16.440 -14.303 8.169) 23.272 2.406 ( 16.788 -7.594 12.967) 22.531 3.031 ( 13.458 -4.252 -15.890) 21.253 3.255 ( 14.475 -3.410 -17.565) 23.015 3.671 ( 17.773 -4.268 9.852) 20.765 3.869 ( 9.752 -1.943 13.816) 17.022 4.008 ( 8.383 -8.435 12.732) 17.422 4.312 ( 3.433 -6.486 9.341) 11.879 4.382 ( 12.322 6.125 14.489) 19.982 4.728 ( 7.346 -4.927 -4.537) 9.941 5.004 ( 0.486 9.398 -8.806) 12.888 5.154 ( 1.826 -3.175 -6.267) 7.259 5.812 ( 12.870 -5.312 -19.967) 24.342 5.998 ( 16.683 12.853 -12.794) 24.642 6.203 ( 15.304 10.066 -1.253) 18.361 6.485 ( 14.059 6.384 -13.585) 20.566 7.119 ( 21.163 -6.012 7.596) 23.274 7.281 ( 18.235 5.734 9.909) 21.531 7.537 ( 13.367 -6.214 2.671) 14.981 7.622 ( 13.556 2.404 12.699) 18.730 8.092 ( 21.562 -5.227 -2.794) 22.362 8.530 ( 12.211 3.490 -7.000) 14.502 8.717 ( 11.396 -5.068 1.222) 12.531 8.736 ( 12.016 2.117 0.314) 12.205 9.010 ( -7.203 4.031 4.051) 9.194 9.536 ( -2.207 1.484 -5.704) 6.294 9.775 ( -2.520 -2.148 2.924) 4.418 10.144 ( -16.413 -7.097 3.976) 18.318 10.423 ( -12.991 -0.788 7.570) 15.057 10.800 ( -13.831 -4.534 -1.385) 14.621 11.375 ( -12.700 0.856 -3.815) 13.288 11.464 ( -12.901 4.730 -6.236) 15.089 11.700 ( -17.645 -3.497 6.858) 19.251 12.096 ( -19.036 -13.857 -4.857) 24.042 13.532 ( -12.789 -0.559 4.166) 13.462 13.771 ( -17.880 -5.309 -2.078) 18.767 14.017 ( -3.046 1.808 2.101) 4.119 14.130 ( -3.057 -2.612 -0.477) 4.049 16.262 ( 13.049 17.739 3.000) 22.225 16.586 ( 8.299 10.724 -5.723) 14.718 16.763 ( 10.665 5.711 3.781) 12.675 16.992 ( 11.822 0.326 -2.701) 12.131 18.099 ( 14.682 -4.644 2.909) 15.672 18.480 ( 12.065 -4.416 -9.508) 15.983 19.245 ( -0.762 12.344 15.509) 19.837 20.164 ( -4.971 7.863 -10.373) 13.933 21.673 ( 1.857 -10.296 2.115) 10.674 21.790 ( 0.901 -10.784 -0.984) 10.866 ======================= Grid point 180 (55/147) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 12.087 -6.759 6.646) 15.360 2.716 ( 11.042 -5.131 11.316) 16.623 3.282 ( 9.535 -4.855 -14.282) 17.846 3.483 ( 8.248 1.758 -14.157) 16.479 3.911 ( 5.934 -1.115 14.650) 15.845 4.005 ( 7.473 3.007 7.068) 10.716 4.232 ( 5.593 -11.686 10.141) 16.452 4.457 ( 6.701 -5.164 7.486) 11.296 4.530 ( 7.015 2.619 9.779) 12.316 4.886 ( 0.027 -0.142 -6.903) 6.904 4.998 ( 6.296 0.892 -2.462) 6.819 5.219 ( 2.432 -12.504 -2.007) 12.896 6.017 ( 8.275 4.760 -15.371) 18.094 6.177 ( 9.443 8.512 -14.375) 19.191 6.368 ( 8.494 6.797 -3.748) 11.506 6.640 ( 7.445 6.137 -14.302) 17.252 7.492 ( 10.804 -4.448 9.525) 15.074 7.519 ( 12.799 1.102 9.401) 15.919 7.770 ( 11.618 3.643 12.086) 17.156 7.930 ( 16.635 -1.357 3.218) 16.998 8.425 ( 8.961 4.064 -9.055) 13.372 8.688 ( 10.052 4.441 -1.839) 11.142 8.808 ( -1.111 -8.838 5.722) 10.587 9.028 ( 18.747 4.284 2.753) 19.426 9.114 ( 12.520 -2.739 -1.290) 12.881 9.432 ( -4.964 1.017 -9.518) 10.783 9.898 ( -7.787 -5.518 5.569) 11.050 9.942 ( 6.322 -4.196 5.709) 9.495 10.273 ( -0.861 2.076 1.213) 2.554 10.509 ( -19.697 -1.154 -2.765) 19.923 11.117 ( -12.994 -0.342 -3.819) 13.548 11.235 ( -9.135 2.367 -4.473) 10.443 11.436 ( -12.259 -3.320 9.158) 15.658 11.844 ( -15.229 -8.685 -2.275) 17.679 13.312 ( -9.936 0.152 3.267) 10.460 13.476 ( -15.998 -4.851 -0.897) 16.741 13.962 ( -1.910 0.625 0.379) 2.045 14.085 ( -2.616 -1.129 -2.672) 3.907 16.367 ( 8.349 11.382 2.622) 14.357 16.652 ( 5.056 6.709 -6.176) 10.427 16.887 ( 6.161 4.004 5.827) 9.378 17.160 ( 6.574 0.840 -2.704) 7.158 18.369 ( 10.430 -4.259 2.324) 11.504 18.690 ( 7.157 -2.115 -9.018) 11.705 19.169 ( -0.788 4.888 14.582) 15.400 20.028 ( -4.110 5.977 -10.339) 12.629 21.768 ( 1.704 -6.750 2.366) 7.353 21.869 ( 1.316 -5.833 -0.456) 5.997 ======================= Grid point 181 (56/147) ======================= q-point: ( 0.46 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( 4.498 -1.917 5.872) 7.642 2.883 ( 3.909 -1.728 9.603) 10.511 3.452 ( 4.464 -4.899 -12.387) 14.048 3.543 ( 1.127 4.501 -9.740) 10.789 3.964 ( 0.954 0.003 13.669) 13.702 4.113 ( 3.792 0.982 3.932) 5.550 4.359 ( 1.429 -6.089 12.838) 14.280 4.527 ( 1.810 4.200 7.410) 8.708 4.694 ( 5.153 -10.634 -1.245) 11.882 4.826 ( -1.677 7.955 -6.610) 10.478 5.041 ( 0.285 2.299 6.510) 6.910 5.428 ( 3.968 -14.833 -4.303) 15.946 6.070 ( 3.475 9.567 -8.302) 13.134 6.241 ( 1.930 2.098 -14.830) 15.102 6.441 ( 2.390 1.293 -7.257) 7.749 6.699 ( 2.351 2.622 -17.001) 17.362 7.607 ( 3.003 0.334 15.804) 16.090 7.725 ( 4.667 -2.910 5.413) 7.717 7.911 ( 5.103 3.360 13.538) 14.853 8.185 ( 7.551 -1.483 0.759) 7.733 8.459 ( 1.597 4.051 -6.185) 7.564 8.825 ( 4.058 2.169 -8.483) 9.651 8.870 ( 1.104 -4.139 6.826) 8.059 9.236 ( 5.946 -4.153 4.278) 8.421 9.362 ( -0.322 10.371 1.782) 10.528 9.458 ( 16.858 -5.744 -3.403) 18.132 9.729 ( -4.312 -4.560 3.317) 7.098 10.019 ( -20.561 1.326 -5.494) 21.324 10.241 ( 6.208 -3.239 2.350) 7.386 10.333 ( 4.236 3.095 -0.855) 5.316 10.930 ( -6.616 -0.550 -3.602) 7.553 11.065 ( -6.091 1.098 -5.470) 8.260 11.310 ( -3.014 -1.520 10.303) 10.841 11.667 ( -6.743 -3.104 0.399) 7.433 13.177 ( -3.543 0.653 2.272) 4.260 13.274 ( -6.893 -2.446 0.171) 7.316 13.935 ( -0.670 0.090 -0.392) 0.781 14.056 ( -0.898 -0.275 -3.525) 3.648 16.419 ( 2.759 3.894 2.318) 5.306 16.685 ( 1.703 2.229 -6.339) 6.932 16.945 ( 2.024 1.445 6.619) 7.071 17.236 ( 2.074 0.381 -2.667) 3.400 18.540 ( 4.535 -2.287 1.520) 5.302 18.769 ( 1.222 0.480 -6.957) 7.079 19.148 ( 0.172 0.509 12.557) 12.568 19.940 ( -1.764 2.376 -10.110) 10.534 21.824 ( 0.683 -2.371 2.428) 3.462 21.915 ( 0.594 -1.850 -0.201) 1.954 ======================= Grid point 189 (57/147) ======================= q-point: ( 0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 18.976 0.000 22.138) 29.158 1.431 ( 25.641 0.000 18.610) 31.683 2.376 ( 39.530 0.000 26.407) 47.539 2.382 ( 15.413 0.000 -13.393) 20.419 2.636 ( 7.936 0.000 -31.603) 32.584 3.470 ( 6.872 0.000 9.961) 12.102 3.611 ( 7.927 0.000 12.454) 14.763 3.959 ( 11.272 0.000 27.096) 29.348 4.216 ( 3.398 0.000 2.185) 4.040 4.406 ( 23.169 0.000 -2.858) 23.345 4.790 ( 5.968 0.000 -15.847) 16.933 5.056 ( 8.967 0.000 -22.520) 24.239 5.323 ( 5.646 0.000 -6.545) 8.644 5.580 ( 14.616 0.000 -11.982) 18.900 5.750 ( 19.689 0.000 -13.132) 23.666 5.785 ( 14.286 0.000 -8.027) 16.387 6.051 ( 20.531 0.000 12.707) 24.145 6.512 ( 22.577 0.000 20.387) 30.419 6.802 ( 14.394 0.000 -10.452) 17.789 7.083 ( 14.202 0.000 -0.553) 14.213 7.603 ( 0.347 0.000 12.558) 12.563 8.151 ( 2.854 0.000 -2.553) 3.829 8.408 ( 2.762 0.000 5.497) 6.152 8.625 ( -8.790 -0.000 -2.084) 9.034 9.639 ( -13.845 -0.000 2.512) 14.071 9.928 ( -19.108 -0.000 37.916) 42.458 10.082 ( -10.249 -0.000 -13.740) 17.142 10.685 ( -13.387 -0.000 14.438) 19.689 10.979 ( -14.515 -0.000 2.761) 14.775 11.149 ( -10.389 -0.000 -0.657) 10.409 11.951 ( -15.782 -0.000 -10.226) 18.805 12.138 ( -17.069 -0.000 -17.235) 24.257 12.398 ( -17.872 -0.000 1.256) 17.916 12.504 ( -24.759 -0.000 0.361) 24.762 13.948 ( 4.727 0.000 8.826) 10.012 13.987 ( -1.950 -0.000 6.312) 6.606 14.203 ( -5.329 -0.000 3.035) 6.133 14.274 ( -10.359 -0.000 1.090) 10.416 16.149 ( 22.173 0.000 -2.793) 22.348 16.285 ( 11.751 0.000 2.900) 12.104 16.286 ( 18.768 0.000 -7.416) 20.180 16.473 ( 9.567 0.000 -0.811) 9.602 17.397 ( 16.617 0.000 0.199) 16.618 17.803 ( 21.124 0.000 -20.268) 29.275 19.906 ( -11.213 -0.000 13.219) 17.334 20.514 ( -5.260 -0.000 -7.250) 8.957 21.201 ( 4.473 0.000 4.771) 6.539 21.438 ( 4.002 0.000 -1.944) 4.450 ======================= Grid point 190 (58/147) ======================= q-point: ( 0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 24.881 -11.209 14.514) 30.909 1.905 ( 22.803 -3.006 16.015) 28.026 2.701 ( 17.229 -0.104 -12.730) 21.422 2.856 ( 13.734 -4.205 -28.072) 31.533 3.066 ( 31.432 -3.572 16.371) 35.620 3.631 ( 10.053 0.279 12.347) 15.924 3.761 ( 7.106 -2.828 16.729) 18.394 4.203 ( 13.166 3.274 15.770) 20.803 4.251 ( 1.722 -1.177 9.266) 9.498 4.718 ( 8.826 10.212 -3.919) 14.055 4.875 ( 3.126 -10.675 -10.056) 14.995 5.217 ( 7.948 6.357 -19.287) 21.807 5.434 ( 8.252 -3.619 -17.262) 19.473 5.886 ( 18.105 5.329 -14.614) 23.870 6.057 ( 19.062 8.277 2.614) 20.945 6.183 ( 21.793 -3.968 -4.458) 22.595 6.571 ( 29.245 -1.703 3.408) 29.492 6.983 ( 24.578 4.083 10.270) 26.949 7.077 ( 14.344 -7.526 -2.552) 16.398 7.396 ( 18.494 2.304 1.623) 18.708 7.667 ( 6.902 -3.378 11.918) 14.180 8.299 ( 10.638 -1.645 -6.869) 12.769 8.513 ( 6.323 3.093 0.902) 7.096 8.556 ( 5.246 -2.383 -0.970) 5.842 9.347 ( -15.176 2.610 2.989) 15.686 9.674 ( -6.582 4.748 19.480) 21.103 9.865 ( -14.136 -5.283 -10.843) 18.583 10.386 ( -18.642 -2.566 10.068) 21.342 10.683 ( -15.205 0.105 3.411) 15.583 10.949 ( -11.291 -2.192 -0.798) 11.530 11.652 ( -14.715 0.913 -5.012) 15.572 11.836 ( -12.832 5.119 -10.443) 17.318 12.024 ( -20.938 -0.027 1.397) 20.985 12.154 ( -17.939 -10.365 -2.710) 20.895 13.761 ( -12.277 -0.272 3.069) 12.658 14.007 ( -14.634 -1.429 -2.669) 14.944 14.101 ( 1.977 -1.222 5.897) 6.338 14.130 ( -4.964 0.871 4.970) 7.079 16.346 ( 10.030 8.101 1.417) 12.971 16.582 ( 10.889 3.463 1.138) 11.483 16.635 ( 14.174 4.324 -5.405) 15.774 16.692 ( 17.975 -2.172 -1.451) 18.163 17.727 ( 17.428 -1.165 2.578) 17.657 18.142 ( 15.388 -1.854 -10.583) 18.768 19.657 ( -7.682 14.922 11.516) 20.354 20.395 ( -6.267 2.578 -9.295) 11.503 21.347 ( 4.199 -12.768 3.927) 14.003 21.543 ( 5.050 -4.429 -1.514) 6.885 ======================= Grid point 191 (59/147) ======================= q-point: ( 0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 24.600 -8.687 10.142) 27.991 2.322 ( 18.398 -4.321 14.101) 23.580 3.004 ( 14.628 0.398 -14.619) 20.685 3.186 ( 15.927 -6.069 -20.969) 27.023 3.602 ( 21.491 -4.811 10.371) 24.343 3.831 ( 9.721 -2.121 12.827) 16.234 3.923 ( 7.303 -4.400 17.510) 19.475 4.255 ( 1.147 -2.026 7.869) 8.206 4.445 ( 11.692 3.078 10.591) 16.073 4.722 ( 0.862 2.679 -5.660) 6.321 4.970 ( -1.683 -7.147 -4.374) 8.547 5.266 ( 5.381 12.593 -13.190) 19.013 5.692 ( 11.451 -10.591 -18.904) 24.508 6.137 ( 13.062 7.334 -13.680) 20.286 6.361 ( 18.045 9.863 2.855) 20.762 6.571 ( 17.404 5.239 -4.251) 18.666 7.060 ( 20.809 -1.064 2.530) 20.989 7.310 ( 13.864 -4.639 -0.184) 14.621 7.470 ( 19.259 -0.964 8.093) 20.912 7.682 ( 15.559 6.381 8.878) 19.016 7.997 ( 21.776 -8.108 2.413) 23.362 8.497 ( 7.110 -4.786 -4.281) 9.580 8.662 ( 12.482 -1.863 2.242) 12.817 8.812 ( 16.012 5.103 -4.776) 17.471 9.072 ( -8.246 4.119 3.211) 9.761 9.546 ( -9.368 0.183 -8.754) 12.823 9.723 ( 0.687 -4.471 8.783) 9.879 10.075 ( -14.906 -2.691 7.755) 17.017 10.427 ( -11.030 0.749 4.411) 11.903 10.751 ( -11.805 -2.504 -2.292) 12.283 11.391 ( -12.551 1.226 -0.920) 12.645 11.539 ( -15.231 5.981 -3.856) 16.812 11.661 ( -17.156 -2.392 1.647) 17.400 11.913 ( -15.807 -11.663 -4.391) 20.129 13.524 ( -12.613 -0.500 2.056) 12.789 13.711 ( -17.540 -3.087 -2.252) 17.952 14.040 ( -3.657 1.393 2.738) 4.776 14.103 ( -1.984 -1.369 1.628) 2.908 16.456 ( 7.730 9.748 2.405) 12.671 16.686 ( 4.714 4.128 -2.162) 6.629 16.835 ( 9.482 4.101 0.519) 10.344 17.000 ( 13.030 0.719 -2.653) 13.317 18.055 ( 15.748 -1.734 3.160) 16.156 18.428 ( 12.967 -2.909 -7.608) 15.313 19.433 ( -5.726 12.943 11.533) 18.257 20.249 ( -6.492 4.152 -10.568) 13.079 21.511 ( 4.035 -11.527 3.567) 12.723 21.675 ( 5.037 -5.445 -1.083) 7.496 ======================= Grid point 192 (60/147) ======================= q-point: ( 0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 19.109 -1.184 7.397) 20.525 2.655 ( 13.650 -3.791 12.855) 19.130 3.240 ( 9.894 -0.915 -14.057) 17.215 3.483 ( 11.102 -2.097 -17.003) 20.415 3.898 ( 6.771 -0.581 13.978) 15.543 4.009 ( 7.772 -3.346 9.245) 12.533 4.095 ( 6.289 -6.630 12.503) 15.487 4.350 ( 5.709 -6.868 6.240) 10.895 4.606 ( 7.176 4.038 8.994) 12.194 4.778 ( 3.378 -8.192 -4.798) 10.077 4.950 ( -3.279 -6.829 -6.322) 9.867 5.255 ( 2.421 12.039 -6.109) 13.716 5.954 ( 7.842 -10.088 -17.260) 21.474 6.281 ( 6.783 5.288 -13.701) 16.177 6.555 ( 11.053 15.258 1.994) 18.946 6.751 ( 8.313 10.399 -7.847) 15.454 7.403 ( 12.601 -5.836 5.866) 15.075 7.547 ( 9.339 -0.497 7.409) 11.931 7.813 ( 16.110 1.471 3.134) 16.477 7.931 ( 13.969 3.177 8.631) 16.725 8.430 ( 15.794 -2.960 -5.166) 16.878 8.659 ( 6.237 -6.760 1.849) 9.382 8.771 ( -5.207 2.489 2.358) 6.234 8.995 ( 17.333 -4.502 0.408) 17.913 9.174 ( 7.861 6.377 -3.136) 10.597 9.403 ( -0.663 -4.504 -9.997) 10.985 9.845 ( -12.248 -1.605 9.973) 15.876 9.906 ( 13.280 -1.613 6.148) 14.722 10.303 ( 0.098 2.051 1.229) 2.393 10.497 ( -17.388 -0.590 -3.584) 17.764 11.123 ( -13.690 1.135 -1.771) 13.851 11.275 ( -8.706 3.192 -2.264) 9.545 11.394 ( -12.523 -2.792 4.344) 13.546 11.718 ( -12.175 -9.005 -1.144) 15.187 13.313 ( -9.275 0.052 1.107) 9.341 13.415 ( -15.151 -3.733 -1.245) 15.654 13.975 ( -2.168 1.204 1.054) 2.695 14.070 ( -2.006 -1.049 -1.178) 2.552 16.497 ( 2.694 7.106 2.180) 7.906 16.720 ( 1.735 3.297 -4.140) 5.569 16.937 ( 4.176 3.038 4.087) 6.586 17.178 ( 6.926 1.601 -2.732) 7.615 18.332 ( 12.086 -1.258 2.666) 12.440 18.661 ( 9.386 -2.075 -7.599) 12.254 19.266 ( -3.977 8.410 12.340) 15.454 20.099 ( -6.085 4.094 -10.826) 13.076 21.656 ( 3.739 -8.774 3.355) 10.111 21.799 ( 4.337 -4.097 -0.733) 6.011 ======================= Grid point 193 (61/147) ======================= q-point: ( 0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 9.974 4.545 5.506) 12.266 2.874 ( 7.552 0.233 11.288) 13.584 3.390 ( 4.437 -3.366 -11.969) 13.201 3.606 ( 2.535 3.801 -12.520) 13.328 3.949 ( -0.089 -1.779 15.548) 15.649 4.137 ( 3.750 1.203 4.284) 5.819 4.233 ( 2.704 -8.942 11.116) 14.520 4.517 ( 4.463 -8.648 2.737) 10.109 4.653 ( 2.514 5.952 7.861) 10.176 4.846 ( -1.542 -4.536 -6.016) 7.691 5.058 ( 4.014 -12.443 -4.678) 13.886 5.209 ( 0.265 1.585 0.398) 1.656 6.115 ( 3.014 -6.616 -16.947) 18.440 6.324 ( 1.455 5.124 -14.204) 15.170 6.558 ( 1.682 18.316 2.224) 18.527 6.777 ( 2.006 8.476 -12.523) 15.255 7.590 ( 3.651 -4.287 13.505) 14.632 7.682 ( 3.900 -0.963 5.612) 6.901 7.998 ( 6.056 7.493 9.129) 13.273 8.142 ( 6.575 -3.988 1.587) 7.852 8.504 ( -3.451 2.478 -5.996) 7.348 8.789 ( 4.774 -6.479 6.585) 10.399 8.819 ( 0.652 -2.637 -5.100) 5.778 9.116 ( -3.394 -12.225 -1.060) 12.731 9.421 ( 15.215 0.533 -1.164) 15.268 9.505 ( 6.940 8.717 1.707) 11.272 9.689 ( 1.480 -1.385 4.042) 4.522 10.040 ( -17.741 1.489 -5.558) 18.650 10.204 ( 4.862 -1.959 3.821) 6.487 10.376 ( 4.568 2.886 -0.453) 5.423 10.927 ( -5.961 0.287 -2.572) 6.498 11.091 ( -7.323 2.095 -6.000) 9.696 11.293 ( -0.189 -0.553 8.787) 8.807 11.604 ( -3.982 -5.897 1.171) 7.211 13.177 ( -5.225 -0.650 1.222) 5.405 13.248 ( -2.972 -1.240 -0.141) 3.224 13.943 ( -0.524 0.945 -0.073) 1.083 14.049 ( -0.667 -0.652 -2.840) 2.990 16.462 ( -2.875 2.258 2.157) 4.244 16.707 ( -1.554 0.991 -5.746) 6.034 16.959 ( -0.318 0.648 6.271) 6.312 17.250 ( 2.064 1.530 -2.777) 3.783 18.521 ( 7.024 -0.300 1.919) 7.287 18.790 ( 3.629 1.649 -7.727) 8.694 19.173 ( -1.356 3.369 12.773) 13.279 19.973 ( -4.519 2.310 -10.403) 11.575 21.768 ( 2.859 -5.280 3.026) 6.724 21.890 ( 3.084 -1.684 -0.465) 3.545 ======================= Grid point 194 (62/147) ======================= q-point: (-0.54 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( 0.811 8.687 4.930) 10.021 2.925 ( -0.491 4.373 9.134) 10.138 3.454 ( -0.933 -4.388 -10.418) 11.343 3.552 ( -3.701 5.577 -8.972) 11.194 3.942 ( -2.264 -2.952 12.449) 12.993 4.123 ( -3.887 2.144 4.219) 6.124 4.318 ( -0.340 -8.372 12.184) 14.787 4.560 ( -1.678 3.998 5.858) 7.288 4.688 ( 0.969 -7.467 0.410) 7.541 4.822 ( -2.715 4.183 -7.422) 8.942 5.046 ( -2.350 3.845 5.908) 7.430 5.353 ( 1.336 -20.621 -3.615) 20.978 6.131 ( -3.877 7.311 -12.721) 15.176 6.247 ( -3.800 6.903 -12.573) 14.839 6.432 ( -4.901 2.723 -3.504) 6.612 6.719 ( -3.094 5.260 -16.336) 17.439 7.611 ( -2.687 0.566 15.992) 16.226 7.701 ( -4.192 -5.145 5.346) 8.522 7.946 ( -5.455 7.241 11.255) 14.452 8.176 ( -6.740 -2.793 0.313) 7.302 8.395 ( -8.075 -4.993 -5.192) 10.821 8.749 ( -9.224 -8.565 -10.840) 16.612 8.891 ( 2.242 -1.047 7.525) 7.921 9.172 ( -5.066 -11.434 7.916) 14.801 9.319 ( -4.087 3.896 1.971) 5.980 9.559 ( -15.452 7.579 -3.073) 17.483 9.806 ( 10.662 5.912 1.301) 12.261 10.005 ( 22.322 -0.689 -4.920) 22.868 10.272 ( -1.692 -0.762 1.279) 2.253 10.312 ( -8.687 1.948 -1.100) 8.971 10.936 ( 7.012 0.271 -2.856) 7.576 11.066 ( 5.678 0.909 -4.396) 7.238 11.334 ( 5.210 2.116 9.207) 10.788 11.686 ( 10.018 -0.341 -0.465) 10.035 13.163 ( 3.395 -1.259 3.249) 4.865 13.310 ( 9.403 2.489 -0.073) 9.727 13.941 ( 0.938 0.921 -0.665) 1.474 14.056 ( 1.148 -0.245 -3.687) 3.869 16.359 ( -8.640 -4.372 2.478) 9.995 16.646 ( -5.789 -3.335 -7.003) 9.678 16.922 ( -3.945 -1.725 7.421) 8.580 17.241 ( -2.073 0.999 -2.873) 3.681 18.577 ( -1.039 2.813 1.440) 3.327 18.792 ( -0.424 3.575 -6.379) 7.325 19.151 ( -0.429 0.740 11.772) 11.803 19.911 ( -1.466 -1.635 -9.858) 10.100 21.832 ( 1.568 -0.917 2.606) 3.176 21.937 ( 1.740 1.179 -0.355) 2.131 ======================= Grid point 195 (63/147) ======================= q-point: (-0.46 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( -6.188 12.716 5.254) 15.086 2.801 ( -8.061 7.345 8.894) 14.072 3.358 ( -8.770 4.925 -12.084) 15.723 3.450 ( -6.133 -1.798 -10.378) 12.188 3.908 ( -3.807 -3.277 13.908) 14.788 3.970 ( -10.679 0.164 4.665) 11.655 4.322 ( -4.291 -4.095 14.073) 15.272 4.452 ( -6.188 5.751 6.742) 10.808 4.644 ( -7.893 11.450 1.216) 13.960 4.756 ( -1.675 -12.164 -3.257) 12.704 5.006 ( -2.840 -0.987 2.762) 4.083 5.404 ( -4.678 1.377 -5.949) 7.692 5.897 ( -11.122 1.754 -3.821) 11.890 6.132 ( -8.662 0.094 -15.834) 18.048 6.319 ( -8.935 -4.316 -10.649) 14.556 6.592 ( -7.986 0.553 -17.956) 19.659 7.487 ( -10.303 0.450 13.128) 16.694 7.561 ( -13.494 0.305 8.704) 16.061 7.747 ( -9.727 1.853 12.750) 16.144 7.938 ( -17.226 -0.471 0.722) 17.248 8.321 ( -6.280 -10.724 -7.092) 14.309 8.582 ( -15.571 -10.621 -6.934) 20.083 8.902 ( -3.737 -1.777 7.541) 8.602 8.972 ( -10.800 4.351 6.133) 13.160 9.203 ( -15.284 7.744 -1.546) 17.204 9.383 ( 5.793 -5.032 -4.831) 9.067 9.958 ( -12.395 3.391 0.265) 12.853 10.035 ( 12.782 7.601 2.321) 15.051 10.251 ( 3.503 -0.816 2.470) 4.363 10.529 ( 22.360 1.659 -1.757) 22.491 11.123 ( 11.924 0.082 -5.059) 12.953 11.217 ( 9.243 -0.039 -4.452) 10.260 11.489 ( 13.592 4.520 10.586) 17.811 11.945 ( 18.390 5.684 -3.501) 19.564 13.308 ( 10.554 -0.419 5.443) 11.882 13.544 ( 17.170 4.899 -0.586) 17.865 13.961 ( 1.729 0.671 -0.485) 1.917 14.099 ( 3.593 0.785 -3.851) 5.325 16.197 ( -14.676 -12.541 3.066) 19.547 16.535 ( -10.651 -9.917 -7.661) 16.446 16.835 ( -7.205 -3.353 7.398) 10.858 17.158 ( -6.243 0.505 -2.969) 6.932 18.446 ( -8.597 6.489 2.004) 10.955 18.726 ( -4.877 3.385 -8.182) 10.109 19.132 ( -1.364 -0.825 13.813) 13.905 19.941 ( 1.415 -6.354 -9.664) 11.652 21.839 ( 0.175 3.697 2.242) 4.327 21.945 ( 1.451 4.591 -0.616) 4.854 ======================= Grid point 196 (64/147) ======================= q-point: (-0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( -9.853 17.581 5.876) 20.993 2.528 ( -14.263 9.947 10.201) 20.160 3.113 ( -12.308 7.069 -13.412) 19.528 3.281 ( -12.263 0.710 -14.374) 18.907 3.713 ( -14.827 2.019 8.010) 16.973 3.850 ( -7.120 -4.360 13.985) 16.288 4.158 ( -10.777 11.309 7.006) 17.121 4.279 ( -10.969 -6.824 15.849) 20.447 4.433 ( -6.076 9.869 10.179) 15.425 4.806 ( -3.558 -15.800 -4.433) 16.791 4.845 ( -11.655 8.944 -3.542) 15.112 5.252 ( -3.662 7.915 -6.136) 10.663 5.745 ( -13.202 -16.959 -5.680) 22.230 5.878 ( -16.832 2.291 -15.178) 22.780 6.134 ( -13.268 -3.270 -14.073) 19.616 6.404 ( -13.599 -3.852 -19.086) 23.749 7.201 ( -20.585 5.608 11.540) 24.256 7.218 ( -18.392 -2.799 13.578) 23.032 7.592 ( -6.968 0.911 11.661) 13.615 7.614 ( -15.286 1.609 1.548) 15.448 8.132 ( -19.743 0.278 -6.444) 20.770 8.383 ( -15.522 -15.823 -4.994) 22.721 8.683 ( -11.533 -3.488 4.073) 12.719 8.861 ( -7.538 10.607 -1.195) 13.067 8.989 ( 3.348 1.979 4.580) 6.008 9.501 ( 0.691 -3.527 -5.400) 6.487 9.781 ( 0.866 -0.652 3.690) 3.846 10.231 ( 13.888 3.900 -4.188) 15.021 10.472 ( 18.379 6.633 11.648) 22.748 10.872 ( 16.544 5.747 -0.684) 17.527 11.365 ( 12.530 -1.018 -6.877) 14.329 11.414 ( 11.444 -2.087 -6.607) 13.378 11.763 ( 18.545 5.838 10.516) 22.104 12.277 ( 22.286 11.754 -5.633) 25.818 13.537 ( 12.898 0.245 6.702) 14.537 13.852 ( 18.202 6.158 -1.842) 19.304 13.997 ( 2.252 -0.744 1.164) 2.642 14.174 ( 5.234 3.502 -2.854) 6.914 15.986 ( -19.348 -21.291 3.697) 29.005 16.388 ( -14.504 -17.379 -8.017) 24.014 16.690 ( -11.205 -4.629 6.278) 13.652 16.993 ( -10.882 0.545 -3.049) 11.314 18.183 ( -13.890 7.308 2.717) 15.929 18.546 ( -10.767 5.119 -10.189) 15.683 19.118 ( -2.592 -5.877 17.004) 18.177 20.040 ( 2.793 -9.848 -9.809) 14.178 21.792 ( -0.793 7.409 2.113) 7.745 21.938 ( 3.139 9.417 -1.633) 10.060 ======================= Grid point 197 (65/147) ======================= q-point: (-0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( -11.388 22.943 7.014) 26.557 2.133 ( -18.809 12.873 11.993) 25.755 2.799 ( -15.493 7.231 -13.708) 21.914 3.012 ( -12.892 4.354 -17.234) 21.958 3.323 ( -23.336 11.061 12.054) 28.499 3.664 ( -12.930 1.849 10.227) 16.589 3.906 ( -7.504 6.066 14.159) 17.134 4.075 ( -14.654 -4.618 15.974) 22.164 4.285 ( -4.598 3.473 10.070) 11.602 4.552 ( -13.558 1.639 -4.087) 14.255 4.837 ( -5.840 -17.103 -4.640) 18.659 5.134 ( -6.601 3.111 -10.165) 12.513 5.467 ( -24.524 -10.091 -11.061) 28.733 5.620 ( -10.743 -4.209 -12.196) 16.789 5.870 ( -16.141 -0.447 -13.436) 21.006 6.129 ( -17.809 -6.066 -20.912) 28.130 6.737 ( -22.464 7.736 13.503) 27.327 6.890 ( -16.878 -1.175 14.627) 22.365 7.306 ( -16.938 5.311 0.773) 17.768 7.376 ( -16.729 3.344 7.341) 18.572 7.783 ( -10.508 2.125 2.205) 10.946 8.174 ( -13.263 -12.257 -4.255) 18.554 8.576 ( -1.032 -0.525 -0.142) 1.167 8.643 ( -7.701 11.383 -2.773) 14.020 9.175 ( 12.302 -7.731 5.109) 15.401 9.534 ( 2.909 -4.350 5.983) 7.949 9.951 ( 12.054 -1.237 -1.995) 12.280 10.543 ( 20.708 3.099 -3.565) 21.240 10.770 ( 18.597 10.416 13.387) 25.171 11.096 ( 12.489 7.474 0.125) 14.555 11.613 ( 13.426 -1.263 -11.010) 17.409 11.682 ( 14.525 -3.717 -8.845) 17.407 12.091 ( 19.910 4.931 10.076) 22.853 12.597 ( 21.356 17.224 -6.365) 28.164 13.769 ( 11.130 -0.051 6.247) 12.763 14.031 ( 1.907 -3.083 1.597) 3.961 14.147 ( 13.545 6.005 -0.770) 14.836 14.210 ( 2.052 6.054 1.335) 6.530 15.803 ( -16.030 -27.136 2.839) 31.644 16.236 ( -15.707 -21.592 -8.610) 28.055 16.464 ( -16.910 -6.217 4.699) 18.619 16.738 ( -15.148 1.286 -2.975) 15.491 17.829 ( -18.243 6.107 3.005) 19.471 18.262 ( -14.988 5.793 -12.809) 20.549 19.114 ( -4.888 -13.504 21.667) 25.994 20.175 ( 3.419 -11.945 -9.755) 15.797 21.714 ( -0.946 10.066 2.137) 10.334 21.944 ( 7.056 16.065 -3.925) 17.980 ======================= Grid point 198 (66/147) ======================= q-point: (-0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -19.276 17.245 9.427) 27.528 1.666 ( -14.664 24.879 14.252) 32.204 2.451 ( -15.663 5.272 -13.795) 21.527 2.649 ( -29.364 20.211 20.091) 40.919 2.802 ( -8.944 10.176 -19.077) 23.398 3.422 ( -10.833 -0.832 7.742) 13.341 3.747 ( -6.529 6.621 11.899) 15.101 3.850 ( -10.755 -5.544 20.071) 23.436 4.177 ( -9.099 -4.499 2.497) 10.453 4.280 ( -15.584 -2.646 0.816) 15.828 4.780 ( -12.930 -12.434 -7.737) 19.536 4.970 ( -7.133 -1.076 -7.098) 10.120 5.158 ( -14.738 -14.246 -14.902) 25.342 5.412 ( -13.875 2.299 -17.982) 22.829 5.550 ( -16.750 -5.668 -8.715) 19.714 5.893 ( -9.251 -1.928 -19.329) 21.515 6.279 ( -18.295 10.937 14.360) 25.701 6.584 ( -14.557 5.624 14.746) 21.470 6.916 ( -18.003 4.852 -3.094) 18.900 7.004 ( -17.610 -0.716 6.347) 18.733 7.691 ( -0.020 3.178 6.979) 7.669 8.107 ( -2.359 -8.100 -3.531) 9.146 8.444 ( -4.634 8.418 5.327) 10.987 8.652 ( 8.158 -0.242 -2.258) 8.469 9.491 ( 13.225 -9.524 2.992) 16.570 9.682 ( 7.767 -8.471 12.971) 17.330 10.181 ( 11.111 -0.147 0.261) 11.116 10.911 ( 18.970 3.676 1.325) 19.368 11.022 ( 16.368 12.192 12.481) 23.924 11.259 ( 9.982 6.232 0.136) 11.768 11.893 ( 14.590 -2.104 -16.208) 21.909 12.018 ( 17.898 -4.001 -10.922) 21.346 12.462 ( 22.435 1.975 6.774) 23.518 12.818 ( 14.135 17.396 -4.707) 22.903 13.944 ( -2.757 -1.571 4.770) 5.729 13.953 ( -6.646 -2.087 5.110) 8.640 14.179 ( 3.205 -1.832 7.933) 8.749 14.377 ( 12.383 6.800 -1.604) 14.218 15.795 ( -4.282 -22.238 -1.841) 22.721 16.063 ( -18.577 -12.574 -2.434) 22.565 16.156 ( -17.684 -10.185 -2.597) 20.572 16.435 ( -14.607 -0.250 -1.954) 14.740 17.428 ( -20.263 2.588 1.797) 20.507 17.895 ( -20.390 5.265 -19.027) 28.382 19.124 ( -7.265 -23.327 30.397) 38.999 20.328 ( 3.532 -12.723 -8.950) 15.952 21.622 ( -0.755 11.862 2.053) 12.062 21.995 ( 13.640 24.886 -9.104) 29.803 ======================= Grid point 199 (67/147) ======================= q-point: (-0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -26.887 9.719 15.398) 32.473 1.256 ( -8.787 30.458 20.242) 37.612 1.914 ( -24.031 32.630 37.157) 54.980 2.175 ( -9.608 3.020 -14.082) 17.313 2.649 ( -2.004 9.009 -26.311) 27.883 3.285 ( -5.776 -5.144 6.667) 10.211 3.566 ( -6.374 6.081 4.631) 9.952 3.762 ( -3.370 -4.368 26.932) 27.491 3.924 ( -16.341 -4.604 -0.453) 16.983 4.098 ( -7.289 -1.971 -2.540) 7.967 4.580 ( -11.500 -5.256 -13.124) 18.224 4.892 ( -4.969 -8.808 -0.246) 10.115 5.081 ( -8.903 -2.500 -17.176) 19.507 5.149 ( -6.378 -13.219 -15.478) 21.330 5.351 ( -9.031 -2.615 -11.018) 14.484 5.781 ( -2.842 3.428 -14.636) 15.299 5.931 ( -9.722 10.372 14.912) 20.603 6.290 ( -9.372 9.685 15.898) 20.842 6.587 ( -12.494 4.954 -7.032) 15.169 6.798 ( -7.310 -5.980 6.504) 11.467 7.685 ( 1.455 4.629 8.983) 10.210 8.156 ( 2.356 -4.493 -3.245) 6.023 8.388 ( 2.190 0.491 14.947) 15.114 8.837 ( 9.427 0.385 -5.606) 10.974 9.764 ( 8.291 -8.052 2.314) 11.787 9.950 ( 10.561 -18.179 17.027) 27.055 10.389 ( 11.196 -4.179 14.460) 18.759 11.165 ( 7.608 -1.221 4.351) 8.849 11.271 ( 24.271 17.595 11.494) 32.106 11.390 ( 9.842 6.767 4.111) 12.631 12.166 ( 11.383 -2.978 -16.935) 20.621 12.376 ( 15.672 -4.736 -6.967) 17.793 12.825 ( 6.307 5.699 -3.527) 9.203 12.936 ( 8.585 -5.044 -4.066) 10.755 13.565 ( -21.009 -6.900 14.959) 26.698 14.064 ( 3.033 -4.327 0.144) 5.286 14.270 ( 3.938 -1.396 9.037) 9.956 14.531 ( 8.967 7.747 -1.656) 11.965 15.538 ( -28.842 -3.069 3.217) 29.183 15.956 ( -9.044 0.555 -12.605) 15.524 16.018 ( 3.176 -11.710 -1.349) 12.208 16.288 ( 0.112 -2.522 -1.166) 2.781 17.059 ( -18.388 -2.663 -3.484) 18.904 17.365 ( -32.132 7.833 -25.258) 41.615 19.184 ( -7.168 -36.586 44.763) 58.255 20.474 ( 2.514 -12.079 -7.233) 14.302 21.524 ( -0.578 12.418 1.467) 12.518 22.116 ( 20.613 36.513 -23.144) 47.893 ======================= Grid point 200 (68/147) ======================= q-point: (-0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 0.000 5.192 30.592) 31.029 0.955 ( 0.000 30.227 27.204) 40.667 1.426 ( 0.000 32.025 50.899) 60.136 2.066 ( 0.000 1.735 -14.383) 14.487 2.579 ( 0.000 7.053 -29.035) 29.880 3.272 ( -0.000 -6.871 5.949) 9.089 3.460 ( 0.000 5.802 2.745) 6.419 3.761 ( -0.000 -3.076 30.310) 30.465 3.764 ( -0.000 -1.377 3.589) 3.844 4.028 ( -0.000 -1.546 -11.795) 11.896 4.490 ( -0.000 -3.232 -12.903) 13.302 4.935 ( 0.000 5.568 -17.939) 18.783 4.936 ( -0.000 -14.471 3.337) 14.851 5.243 ( 0.000 4.582 -10.101) 11.091 5.260 ( -0.000 -21.102 -16.427) 26.742 5.722 ( 0.000 6.679 -12.833) 14.467 5.783 ( 0.000 6.499 16.183) 17.439 6.130 ( 0.000 9.587 17.536) 19.986 6.421 ( 0.000 4.431 -4.979) 6.666 6.776 ( -0.000 -6.074 2.198) 6.459 7.665 ( 0.000 5.155 10.335) 11.549 8.217 ( -0.000 -3.497 -4.004) 5.316 8.469 ( -0.000 -7.514 13.878) 15.782 8.929 ( 0.000 2.193 -7.882) 8.181 9.890 ( -0.000 -5.341 1.746) 5.619 10.190 ( -0.000 -14.191 -2.785) 14.461 10.675 ( -0.000 -27.122 33.018) 42.729 11.240 ( -0.000 -1.067 5.698) 5.797 11.399 ( 0.000 3.802 -1.896) 4.248 11.905 ( -0.000 -2.321 4.961) 5.478 12.450 ( -0.000 -0.076 2.746) 2.747 12.460 ( -0.000 -31.099 7.089) 31.897 12.709 ( 0.000 0.066 -3.713) 3.714 12.878 ( -0.000 -9.095 3.875) 9.886 13.534 ( -0.000 -8.043 6.185) 10.146 14.113 ( -0.000 -2.559 -6.179) 6.688 14.318 ( 0.000 2.793 8.092) 8.560 14.574 ( 0.000 10.707 -2.352) 10.962 15.167 ( -0.000 -0.150 7.439) 7.441 15.877 ( -0.000 -0.032 -13.035) 13.035 16.031 ( 0.000 11.844 -7.640) 14.095 16.452 ( 0.000 21.882 -26.882) 34.662 16.554 ( -0.000 -0.092 9.955) 9.956 16.979 ( -0.000 -0.048 -3.394) 3.394 19.429 ( -0.000 -59.274 54.225) 80.335 20.576 ( -0.000 -9.608 -5.242) 10.945 21.436 ( 0.000 10.635 -0.059) 10.635 22.084 ( 0.000 56.860 -45.481) 72.812 ======================= Grid point 203 (69/147) ======================= q-point: ( 0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 28.607 0.000 10.993) 30.647 2.291 ( 18.843 0.000 14.234) 23.614 3.021 ( 15.459 0.000 -10.251) 18.549 3.127 ( 16.061 0.000 -25.290) 29.959 3.565 ( 22.510 0.000 10.049) 24.651 3.818 ( 9.038 0.000 14.086) 16.736 3.890 ( 7.400 0.000 16.974) 18.517 4.243 ( 0.201 0.000 7.806) 7.809 4.468 ( 11.328 0.000 9.208) 14.599 4.753 ( -3.407 -0.000 -11.066) 11.579 4.908 ( 1.185 0.000 2.455) 2.726 5.387 ( 5.707 0.000 -20.747) 21.518 5.584 ( 10.544 0.000 -12.393) 16.272 6.189 ( 11.389 0.000 -14.223) 18.220 6.439 ( 17.674 0.000 2.965) 17.921 6.602 ( 21.225 0.000 1.750) 21.297 7.085 ( 22.578 0.000 -2.053) 22.672 7.229 ( 10.011 0.000 -2.166) 10.243 7.476 ( 20.175 0.000 11.312) 23.130 7.756 ( 17.204 0.000 -1.456) 17.265 7.912 ( 21.619 0.000 10.499) 24.033 8.459 ( 6.738 0.000 -2.939) 7.351 8.650 ( 12.130 0.000 1.861) 12.272 8.849 ( 16.402 0.000 -5.932) 17.442 9.104 ( -7.860 -0.000 2.690) 8.308 9.546 ( -16.637 -0.000 -12.254) 20.663 9.686 ( 6.087 0.000 14.735) 15.942 10.059 ( -14.006 -0.000 7.712) 15.989 10.433 ( -10.609 -0.000 3.595) 11.202 10.733 ( -11.001 -0.000 -2.738) 11.336 11.401 ( -12.385 -0.000 0.686) 12.404 11.610 ( -21.402 -0.000 0.922) 21.421 11.627 ( -12.916 -0.000 -4.278) 13.606 11.817 ( -13.514 -0.000 -4.584) 14.270 13.520 ( -12.509 -0.000 1.227) 12.569 13.689 ( -17.427 -0.000 -2.305) 17.579 14.051 ( -3.787 -0.000 2.918) 4.781 14.093 ( -1.746 -0.000 2.508) 3.056 16.524 ( 5.524 0.000 2.170) 5.935 16.713 ( 3.782 0.000 -1.000) 3.912 16.864 ( 8.781 0.000 -0.438) 8.792 17.006 ( 13.588 0.000 -2.700) 13.853 18.045 ( 16.260 0.000 3.293) 16.590 18.406 ( 13.268 0.000 -6.647) 14.840 19.536 ( -8.866 -0.000 9.251) 12.814 20.277 ( -6.966 -0.000 -10.660) 12.734 21.419 ( 6.493 0.000 4.905) 8.138 21.638 ( 6.116 0.000 -1.430) 6.281 ======================= Grid point 204 (70/147) ======================= q-point: ( 0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 25.135 0.868 8.090) 26.419 2.612 ( 14.420 -2.031 12.443) 19.154 3.254 ( 9.851 2.059 -10.758) 14.732 3.432 ( 13.376 -3.773 -19.140) 23.653 3.900 ( 10.218 0.800 8.920) 13.587 3.948 ( 5.193 -3.551 12.792) 14.255 4.036 ( 7.162 -2.414 16.053) 17.743 4.287 ( 4.249 -2.156 5.248) 7.088 4.629 ( 6.172 0.527 3.079) 6.917 4.720 ( 0.004 -1.707 -7.523) 7.714 4.883 ( -3.667 -2.340 1.136) 4.496 5.420 ( 2.061 9.216 -15.150) 17.852 5.807 ( 8.022 -8.654 -9.841) 15.365 6.330 ( 4.726 1.773 -11.099) 12.193 6.699 ( 11.148 5.337 -0.484) 12.369 6.894 ( 11.485 6.926 -1.474) 13.493 7.372 ( 11.606 2.435 3.128) 12.265 7.482 ( 10.680 -7.597 2.632) 13.368 7.818 ( 16.435 -0.026 7.729) 18.162 8.005 ( 11.515 4.928 -0.282) 12.528 8.371 ( 20.857 -3.892 1.865) 21.299 8.588 ( 6.004 -2.793 2.941) 7.246 8.801 ( -9.238 1.333 -0.637) 9.356 8.948 ( 14.750 -1.976 0.605) 14.894 9.239 ( -5.629 2.648 -6.243) 8.814 9.344 ( 13.824 -2.821 -5.796) 15.253 9.840 ( -10.571 0.199 8.804) 13.758 9.892 ( 13.604 -0.529 7.486) 15.537 10.324 ( 0.546 0.860 1.550) 1.855 10.492 ( -16.188 -0.157 -4.135) 16.709 11.142 ( -14.035 1.117 0.418) 14.085 11.315 ( -7.533 2.169 2.331) 8.179 11.361 ( -14.053 -1.685 -2.995) 14.467 11.618 ( -10.052 -4.409 -0.327) 10.982 13.314 ( -8.510 0.129 -0.320) 8.517 13.378 ( -15.032 -1.534 -1.426) 15.178 13.990 ( -2.285 0.688 1.338) 2.736 14.058 ( -1.790 -0.531 -0.054) 1.868 16.561 ( -0.509 2.262 1.947) 3.028 16.748 ( 0.444 0.945 -3.039) 3.213 16.966 ( 2.633 1.054 3.268) 4.328 17.197 ( 7.072 0.825 -2.892) 7.685 18.326 ( 13.035 0.010 2.900) 13.354 18.638 ( 10.484 -1.024 -5.791) 12.021 19.366 ( -6.715 4.590 9.605) 12.586 20.137 ( -7.084 1.382 -11.129) 13.264 21.557 ( 6.050 -4.275 4.631) 8.736 21.759 ( 5.863 -1.509 -1.184) 6.169 ======================= Grid point 205 (71/147) ======================= q-point: ( 0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( 12.825 5.946 5.796) 15.278 2.882 ( 12.825 0.574 11.026) 16.922 3.369 ( 3.410 0.380 -10.666) 11.204 3.633 ( 5.345 -0.156 -14.156) 15.132 3.927 ( -1.794 -1.023 17.511) 17.632 4.095 ( 3.772 -5.184 6.676) 9.256 4.174 ( 4.600 -1.321 9.418) 10.564 4.408 ( 4.220 -5.948 3.342) 8.023 4.710 ( 2.446 -0.535 2.407) 3.474 4.762 ( 0.214 -4.239 -3.413) 5.447 4.860 ( 0.004 -8.772 -2.667) 9.169 5.355 ( -0.880 12.264 -8.536) 14.968 5.974 ( 2.173 -11.431 -11.391) 16.283 6.363 ( 0.436 1.578 -10.325) 10.454 6.784 ( 3.530 10.313 -2.986) 11.302 6.950 ( 2.940 15.295 -4.762) 16.286 7.523 ( 3.938 -3.364 9.297) 10.643 7.665 ( 3.776 -3.153 5.539) 7.408 8.055 ( 6.989 -1.557 2.069) 7.454 8.131 ( 4.656 4.595 3.740) 7.536 8.531 ( -7.613 1.663 -4.108) 8.810 8.701 ( 5.323 -6.022 3.281) 8.681 8.779 ( 1.592 -2.223 1.145) 2.964 8.946 ( -6.891 -10.721 -2.131) 12.922 9.436 ( 18.121 1.091 -1.128) 18.189 9.603 ( 6.430 5.442 1.282) 8.521 9.679 ( 3.014 -0.661 3.667) 4.793 10.057 ( -13.815 0.854 -5.171) 14.776 10.187 ( 1.567 -0.580 5.075) 5.343 10.408 ( 5.351 1.693 -0.074) 5.613 10.938 ( -5.918 1.150 -0.161) 6.031 11.108 ( -9.065 0.201 -6.076) 10.914 11.308 ( 3.992 2.833 5.045) 7.029 11.513 ( -2.942 -6.693 2.162) 7.624 13.164 ( -6.555 -0.942 0.668) 6.656 13.238 ( -0.020 -0.290 -0.955) 0.998 13.958 ( -0.428 1.074 0.118) 1.162 14.039 ( -0.577 -0.723 -1.979) 2.185 16.482 ( -6.531 0.821 2.073) 6.901 16.715 ( -3.684 0.250 -5.466) 6.596 16.964 ( -2.037 0.093 6.358) 6.677 17.272 ( 1.971 1.390 -3.074) 3.907 18.527 ( 8.229 0.750 2.266) 8.568 18.802 ( 6.044 0.138 -6.462) 8.849 19.234 ( -3.648 4.511 10.748) 12.214 19.999 ( -6.237 1.346 -10.669) 12.432 21.695 ( 5.158 -4.476 4.034) 7.932 21.870 ( 4.642 -1.141 -0.913) 4.867 ======================= Grid point 206 (72/147) ======================= q-point: (-0.62 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( 4.274 8.804 3.766) 10.486 3.013 ( 3.884 8.818 9.193) 13.318 3.395 ( -1.428 -3.535 -8.678) 9.479 3.630 ( -2.975 5.053 -8.493) 10.321 3.893 ( -3.745 -3.977 13.466) 14.532 4.143 ( -2.845 -1.415 4.887) 5.829 4.218 ( -0.116 -3.541 9.569) 10.203 4.493 ( -0.917 -8.510 1.990) 8.788 4.712 ( -0.455 5.550 6.413) 8.493 4.786 ( -0.534 -7.242 -6.040) 9.445 5.000 ( 1.618 -17.752 -4.799) 18.460 5.223 ( -3.834 10.895 -1.025) 11.596 6.047 ( -3.328 -12.524 -13.642) 18.815 6.334 ( -2.322 2.022 -11.260) 11.673 6.657 ( -6.163 22.583 -0.007) 23.409 6.833 ( -3.803 11.587 -10.821) 16.304 7.573 ( -2.065 -5.977 11.732) 13.328 7.662 ( -4.759 -0.352 6.258) 7.870 8.062 ( -5.098 7.605 5.446) 10.653 8.113 ( -5.977 -5.314 1.098) 8.073 8.327 ( -14.706 -4.460 -3.998) 15.879 8.607 ( -13.885 -10.725 -10.212) 20.301 8.858 ( 2.810 -2.972 7.998) 8.983 9.020 ( 1.578 -9.626 7.769) 12.470 9.384 ( -7.179 4.674 3.712) 9.336 9.651 ( -16.031 5.471 -2.366) 17.104 9.877 ( 13.529 3.989 -0.185) 14.106 10.000 ( 23.795 -0.214 -4.081) 24.143 10.246 ( -1.519 -1.883 0.378) 2.449 10.357 ( -8.608 3.305 -0.932) 9.268 10.941 ( 6.744 0.599 -0.067) 6.771 11.076 ( 5.352 0.083 -3.277) 6.276 11.375 ( 7.121 4.004 6.250) 10.286 11.661 ( 13.365 -3.075 -1.692) 13.818 13.146 ( 3.825 -1.078 3.850) 5.534 13.339 ( 10.969 1.708 -0.586) 11.116 13.959 ( 1.375 1.532 -0.874) 2.237 14.049 ( 1.190 -0.779 -3.358) 3.647 16.306 ( -12.947 -3.190 2.531) 13.573 16.599 ( -9.794 -3.225 -7.259) 12.610 16.901 ( -4.874 -1.251 8.131) 9.562 17.259 ( -2.169 1.474 -3.285) 4.204 18.613 ( 1.541 2.370 1.755) 3.327 18.849 ( 0.419 3.776 -6.563) 7.583 19.169 ( -1.162 1.965 11.135) 11.367 19.895 ( -4.220 -0.761 -9.707) 10.612 21.808 ( 4.151 -2.180 3.187) 5.669 21.946 ( 3.055 0.199 -0.656) 3.131 ======================= Grid point 207 (73/147) ======================= q-point: (-0.54 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( -2.362 14.511 2.912) 14.988 2.925 ( -5.246 11.136 6.951) 14.137 3.359 ( -5.679 -3.800 -7.446) 10.106 3.488 ( -7.169 6.138 -7.400) 11.993 3.836 ( -5.727 -5.986 10.611) 13.462 4.001 ( -10.478 2.966 5.643) 12.265 4.224 ( -4.231 -7.088 12.669) 15.121 4.488 ( -5.338 -6.836 2.055) 8.913 4.647 ( -3.216 2.266 3.659) 5.373 4.781 ( -4.258 2.612 -6.386) 8.108 4.990 ( -6.012 1.756 3.775) 7.313 5.211 ( -1.402 -18.683 -3.394) 19.040 6.001 ( -10.319 -6.135 -14.782) 19.042 6.223 ( -6.160 12.548 -12.153) 18.523 6.293 ( -14.741 11.972 0.651) 19.002 6.655 ( -8.264 7.496 -15.255) 18.900 7.492 ( -13.917 -4.520 6.013) 15.820 7.530 ( -6.398 0.715 13.688) 15.126 7.825 ( -12.003 7.966 7.438) 16.212 7.919 ( -17.077 -2.161 -0.061) 17.214 8.133 ( -10.538 -16.369 -2.878) 19.679 8.415 ( -15.611 -12.337 -10.450) 22.475 8.835 ( -10.299 -5.218 11.349) 16.189 9.058 ( 1.295 4.330 5.065) 6.789 9.302 ( -11.924 4.645 -2.164) 12.978 9.328 ( -0.210 -0.425 -0.363) 0.597 10.001 ( -15.268 2.797 -1.974) 15.647 10.113 ( 8.808 3.195 -2.945) 9.821 10.257 ( 10.614 1.617 5.007) 11.846 10.554 ( 24.359 1.795 -0.559) 24.431 11.120 ( 11.013 -0.192 -3.786) 11.647 11.223 ( 8.985 0.269 -3.773) 9.748 11.564 ( 16.174 6.261 8.759) 19.430 11.998 ( 21.107 2.030 -4.992) 21.785 13.301 ( 11.149 -0.457 7.195) 13.277 13.607 ( 18.371 3.943 -0.394) 18.793 13.981 ( 2.037 2.100 -1.385) 3.237 14.104 ( 4.473 -0.236 -4.339) 6.236 16.038 ( -19.963 -9.847 3.232) 22.493 16.392 ( -16.692 -10.185 -7.708) 21.018 16.797 ( -7.512 -2.116 8.014) 11.186 17.171 ( -6.170 1.296 -3.454) 7.189 18.535 ( -6.734 5.957 1.900) 9.189 18.784 ( -3.989 4.794 -6.854) 9.266 19.134 ( -2.216 0.691 11.846) 12.071 19.860 ( -1.570 -5.134 -8.922) 10.413 21.876 ( 2.792 1.921 2.313) 4.103 21.989 ( 2.614 1.821 -0.684) 3.259 ======================= Grid point 208 (74/147) ======================= q-point: (-0.46 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( -6.570 18.840 3.457) 20.250 2.678 ( -12.093 11.663 6.461) 18.000 3.204 ( -10.288 4.586 -7.537) 13.553 3.292 ( -10.890 2.245 -11.999) 16.358 3.728 ( -13.240 -1.461 4.856) 14.178 3.778 ( -7.687 -3.497 13.817) 16.193 4.142 ( -9.556 -7.407 15.740) 19.848 4.345 ( -10.932 7.715 2.604) 13.632 4.541 ( -8.281 0.142 1.922) 8.502 4.639 ( -4.535 -0.730 4.383) 6.349 4.883 ( -8.867 -3.725 -1.247) 9.698 5.265 ( -5.663 -12.390 -6.977) 15.306 5.648 ( -21.183 9.534 -3.837) 23.544 5.983 ( -9.612 12.243 -12.569) 20.007 6.018 ( -16.817 -12.204 -11.517) 23.757 6.419 ( -12.313 5.197 -19.680) 23.789 7.187 ( -19.371 -2.737 10.331) 22.124 7.284 ( -17.007 6.769 12.681) 22.268 7.593 ( -11.134 -0.354 4.871) 12.158 7.635 ( -9.463 1.219 4.884) 10.718 8.066 ( -13.036 -14.269 -6.444) 20.373 8.160 ( -18.963 -11.110 -4.764) 22.488 8.624 ( -9.908 -4.617 8.767) 14.012 8.972 ( -12.437 5.623 -3.260) 14.033 9.077 ( 3.504 9.304 4.006) 10.718 9.441 ( 1.786 -4.761 -4.758) 6.964 9.772 ( -2.697 -0.488 4.846) 5.567 10.253 ( 11.523 0.106 -5.346) 12.703 10.578 ( 21.842 7.324 9.779) 25.027 10.952 ( 19.559 5.534 -0.241) 20.328 11.343 ( 11.872 -1.650 -8.063) 14.446 11.406 ( 10.995 0.218 -6.179) 12.614 11.866 ( 20.347 8.967 10.998) 24.807 12.410 ( 25.101 7.256 -6.287) 26.874 13.539 ( 12.969 0.022 8.962) 15.764 13.935 ( 17.587 5.779 -1.728) 18.593 14.003 ( 2.969 1.780 0.207) 3.468 14.221 ( 8.333 3.053 -4.627) 10.008 15.700 ( -25.606 -19.286 4.136) 32.322 16.128 ( -21.200 -19.454 -8.051) 29.878 16.636 ( -11.661 -3.149 7.139) 14.031 17.005 ( -10.563 1.130 -3.636) 11.228 18.291 ( -13.567 7.962 2.633) 15.950 18.620 ( -9.764 5.471 -9.065) 14.403 19.072 ( -4.390 -1.294 15.346) 16.014 19.902 ( 0.304 -9.756 -8.775) 13.126 21.884 ( 1.054 5.903 2.044) 6.335 22.035 ( 4.783 4.559 -1.777) 6.842 ======================= Grid point 209 (75/147) ======================= q-point: (-0.38 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -16.755 15.328 4.873) 23.226 2.352 ( -10.469 18.448 7.603) 22.533 2.915 ( -15.417 9.140 -9.551) 20.309 3.056 ( -11.036 1.984 -12.938) 17.121 3.443 ( -14.866 6.180 6.799) 17.476 3.651 ( -10.830 -3.934 11.644) 16.381 3.974 ( -11.986 -2.832 13.389) 18.192 4.045 ( -11.457 6.898 10.197) 16.818 4.365 ( -8.212 6.050 9.651) 14.042 4.588 ( -9.423 -9.515 -0.122) 13.392 4.639 ( -14.247 0.954 -5.056) 15.148 5.135 ( -11.927 1.032 -3.158) 12.381 5.255 ( -22.358 -18.199 -6.628) 29.581 5.656 ( -14.150 5.801 -16.096) 22.202 5.839 ( -11.128 -6.086 -13.992) 18.885 6.092 ( -18.734 3.249 -21.780) 28.912 6.830 ( -18.924 4.283 12.384) 23.018 6.910 ( -14.168 5.277 13.476) 20.252 7.355 ( -15.218 2.266 2.481) 15.584 7.434 ( -15.706 4.106 5.808) 17.242 7.780 ( -12.150 -3.025 -0.720) 12.541 7.975 ( -12.244 -15.899 -1.014) 20.093 8.563 ( -0.354 -1.393 0.970) 1.734 8.783 ( -6.103 7.106 -7.160) 11.790 9.097 ( 5.876 -1.853 7.696) 9.859 9.475 ( 1.961 -4.229 1.989) 5.068 9.920 ( 12.109 -2.691 2.516) 12.658 10.555 ( 18.967 -0.470 -4.086) 19.408 10.928 ( 21.190 10.409 11.255) 26.155 11.208 ( 13.059 8.642 -2.043) 15.793 11.594 ( 13.582 -1.395 -13.355) 19.099 11.655 ( 15.328 -0.367 -7.414) 17.031 12.186 ( 19.905 9.044 13.307) 25.595 12.813 ( 23.740 13.410 -6.739) 28.086 13.766 ( 10.352 -0.244 7.952) 13.056 13.991 ( -0.973 -1.822 1.170) 2.374 14.242 ( 15.261 7.176 -1.550) 16.935 14.304 ( 1.663 7.535 -1.151) 7.801 15.417 ( -17.718 -27.927 3.597) 33.268 15.899 ( -18.453 -26.306 -9.068) 33.388 16.388 ( -17.591 -4.651 6.426) 19.297 16.755 ( -15.003 1.125 -3.940) 15.552 17.924 ( -19.367 7.311 3.364) 20.972 18.344 ( -15.052 5.909 -12.146) 20.224 18.990 ( -6.474 -5.068 21.095) 22.641 19.999 ( 1.432 -13.180 -8.990) 16.018 21.846 ( 0.490 8.838 2.446) 9.184 22.113 ( 8.467 8.536 -4.427) 12.813 ======================= Grid point 210 (76/147) ======================= q-point: (-0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -23.947 13.367 5.575) 27.986 1.998 ( -12.764 20.725 13.459) 27.813 2.537 ( -16.873 7.115 -11.516) 21.632 2.863 ( -6.656 7.841 -11.448) 15.390 3.044 ( -15.460 24.086 10.317) 30.423 3.420 ( -13.101 -0.052 7.426) 15.059 3.786 ( -8.271 -2.137 15.126) 17.371 3.837 ( -7.850 5.008 11.104) 14.492 4.127 ( -14.939 -0.232 -0.080) 14.941 4.277 ( -14.680 1.461 6.074) 15.954 4.550 ( -10.785 -18.114 -4.116) 21.480 4.895 ( -16.070 -14.826 -0.906) 21.883 4.991 ( -14.145 -5.017 -10.952) 18.579 5.422 ( -9.346 -1.131 -16.286) 18.811 5.581 ( -16.494 8.354 -22.221) 28.907 5.813 ( -9.312 -8.437 -15.117) 19.658 6.430 ( -16.423 11.000 14.258) 24.373 6.674 ( -8.772 7.036 10.190) 15.175 6.957 ( -19.996 2.599 7.707) 21.587 7.048 ( -18.791 5.270 -0.034) 19.516 7.709 ( -0.211 -1.025 4.423) 4.545 7.951 ( -1.719 -13.724 -0.309) 13.835 8.591 ( -5.528 11.592 0.316) 12.847 8.639 ( 7.358 -1.315 -1.073) 7.551 9.344 ( 12.219 -11.379 4.332) 17.250 9.582 ( 5.084 -5.963 6.156) 9.965 10.163 ( 10.839 -1.936 3.301) 11.495 10.910 ( 16.078 -1.432 0.387) 16.146 11.231 ( 19.874 13.853 11.550) 26.838 11.354 ( 9.187 8.239 -4.334) 13.079 11.877 ( 15.328 -0.212 -19.950) 25.159 11.978 ( 17.701 -1.576 -8.399) 19.656 12.506 ( 19.503 4.881 12.289) 23.563 13.052 ( 10.282 16.040 -5.937) 19.956 13.906 ( -6.916 -3.713 3.307) 8.518 13.914 ( -7.340 -3.464 3.463) 8.824 14.151 ( -3.060 -2.526 9.818) 10.589 14.475 ( 12.695 6.871 -2.637) 14.673 15.497 ( 6.285 -19.737 -1.144) 20.745 15.826 ( -7.071 -20.325 -9.568) 23.551 16.043 ( -21.057 -6.316 6.202) 22.842 16.438 ( -16.887 0.407 -4.053) 17.371 17.475 ( -23.215 4.128 3.309) 23.810 17.968 ( -20.980 5.123 -16.968) 27.465 18.905 ( -7.537 -9.410 29.982) 32.315 20.132 ( 2.088 -15.224 -9.023) 17.820 21.785 ( 0.490 11.379 3.097) 11.803 22.246 ( 13.247 12.049 -9.427) 20.237 ======================= Grid point 211 (77/147) ======================= q-point: (-0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -30.029 9.966 11.297) 33.596 1.603 ( -12.064 21.874 23.825) 34.520 2.229 ( -10.425 4.687 -13.334) 17.563 2.493 ( -9.178 45.848 19.409) 50.626 2.784 ( -1.417 10.200 -17.621) 20.410 3.225 ( -7.860 -3.458 6.210) 10.597 3.635 ( -8.516 3.605 1.976) 9.457 3.707 ( -3.232 -2.847 17.155) 17.688 3.866 ( -11.840 -3.031 3.695) 12.768 4.060 ( -9.249 -3.298 3.770) 10.518 4.450 ( -10.225 -13.198 -8.501) 18.735 4.757 ( -8.808 -10.664 4.571) 14.567 4.853 ( -6.595 -17.095 -13.823) 22.952 5.227 ( -8.793 11.261 -24.179) 28.084 5.314 ( -6.264 -1.926 -13.060) 14.612 5.765 ( -2.724 -6.150 -15.425) 16.828 6.087 ( -10.518 11.786 13.592) 20.839 6.435 ( -8.125 10.767 12.517) 18.402 6.661 ( -11.043 4.996 -2.555) 12.387 6.749 ( -7.864 0.402 9.842) 12.604 7.728 ( 1.505 1.071 7.328) 7.557 8.047 ( 1.580 -11.219 -1.966) 11.499 8.458 ( -0.590 8.926 10.564) 13.842 8.821 ( 8.833 -2.274 -3.585) 9.800 9.631 ( 8.511 -10.834 2.466) 13.996 9.744 ( 5.569 -11.704 11.939) 17.622 10.345 ( 6.946 -2.606 8.140) 11.014 11.143 ( 7.178 -1.950 4.805) 8.855 11.448 ( 7.172 8.481 -5.172) 12.251 11.526 ( 22.271 12.435 13.069) 28.660 12.145 ( 12.036 0.235 -20.433) 23.715 12.318 ( 15.250 -3.781 -7.929) 17.599 12.801 ( 4.231 -5.278 -2.772) 7.311 12.965 ( -9.752 5.857 -2.746) 11.702 13.472 ( -20.458 -6.156 14.969) 26.086 14.006 ( 3.493 -4.208 -1.135) 5.585 14.228 ( 4.247 -4.358 12.170) 13.606 14.643 ( 10.552 7.863 -2.729) 13.440 15.492 ( -24.346 -3.452 3.029) 24.775 15.863 ( 9.110 -10.542 -2.906) 14.232 15.976 ( 2.331 1.802 -9.409) 9.859 16.241 ( 3.821 -3.822 -2.212) 5.840 17.028 ( -21.460 -1.705 -0.080) 21.527 17.454 ( -30.042 5.154 -20.730) 36.862 18.851 ( -5.988 -13.941 41.487) 44.175 20.278 ( 1.713 -15.809 -8.607) 18.082 21.707 ( 0.268 13.333 3.567) 13.805 22.441 ( 15.610 13.192 -19.430) 28.200 ======================= Grid point 212 (78/147) ======================= q-point: (-0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 0.000 8.317 26.688) 27.954 1.314 ( 0.000 23.539 30.552) 38.568 2.052 ( 0.000 52.889 25.511) 58.720 2.101 ( 0.000 3.287 -14.196) 14.572 2.706 ( 0.000 10.457 -22.359) 24.684 3.183 ( -0.000 -5.868 6.034) 8.417 3.518 ( 0.000 2.135 -1.964) 2.901 3.715 ( -0.000 -2.996 23.487) 23.677 3.746 ( -0.000 -0.585 6.779) 6.804 3.991 ( -0.000 -3.887 -4.957) 6.299 4.412 ( -0.000 -8.370 -11.568) 14.278 4.746 ( -0.000 -12.313 7.313) 14.321 4.935 ( -0.000 -20.003 -15.569) 25.347 5.070 ( 0.000 8.619 -21.108) 22.799 5.263 ( -0.000 -0.760 -12.742) 12.765 5.765 ( -0.000 -0.768 -13.446) 13.468 5.906 ( 0.000 10.534 14.562) 17.973 6.281 ( 0.000 11.077 12.797) 16.925 6.501 ( 0.000 6.702 -4.702) 8.187 6.696 ( -0.000 -3.689 10.339) 10.977 7.730 ( 0.000 3.267 8.084) 8.719 8.136 ( -0.000 -8.529 -3.080) 9.068 8.427 ( 0.000 2.451 16.974) 17.150 8.933 ( -0.000 -1.705 -6.628) 6.844 9.785 ( -0.000 -9.473 2.320) 9.752 9.922 ( -0.000 -18.985 14.869) 24.115 10.456 ( -0.000 -7.214 16.867) 18.344 11.221 ( -0.000 -1.694 5.822) 6.064 11.470 ( 0.000 6.289 -3.362) 7.131 11.888 ( 0.000 0.380 14.866) 14.871 12.275 ( -0.000 -1.982 -18.367) 18.474 12.449 ( -0.000 -0.132 2.777) 2.780 12.710 ( 0.000 0.116 -3.752) 3.754 12.754 ( -0.000 -10.193 -6.062) 11.860 13.431 ( -0.000 -5.662 11.119) 12.478 14.072 ( -0.000 -3.169 -4.185) 5.250 14.310 ( -0.000 -2.971 13.670) 13.989 14.724 ( 0.000 10.238 -2.739) 10.598 15.164 ( -0.000 -0.265 7.466) 7.471 15.877 ( -0.000 -0.058 -13.089) 13.090 16.087 ( 0.000 0.124 -1.745) 1.750 16.552 ( -0.000 -0.162 9.997) 9.998 16.690 ( 0.000 10.422 -36.788) 38.236 16.978 ( -0.000 -0.086 -3.397) 3.398 18.906 ( -0.000 -21.721 50.966) 55.402 20.403 ( -0.000 -14.835 -7.853) 16.785 21.613 ( 0.000 13.990 3.142) 14.338 22.539 ( 0.000 15.899 -33.264) 36.868 ======================= Grid point 217 (79/147) ======================= q-point: ( 0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( 9.869 0.000 9.867) 13.955 2.884 ( 19.353 0.000 6.067) 20.282 3.380 ( 2.663 0.000 -8.878) 9.269 3.621 ( 7.164 0.000 -14.367) 16.054 3.922 ( -3.063 -0.000 18.001) 18.260 4.057 ( 3.925 0.000 6.379) 7.490 4.159 ( 5.726 0.000 10.535) 11.991 4.366 ( 3.806 0.000 2.907) 4.789 4.688 ( 0.362 0.000 -2.541) 2.567 4.731 ( 2.040 0.000 -8.168) 8.419 4.820 ( -1.826 -0.000 5.691) 5.977 5.462 ( -0.773 -0.000 -15.162) 15.182 5.873 ( 1.837 0.000 -5.094) 5.415 6.374 ( 0.002 0.000 -8.945) 8.945 6.854 ( 3.781 0.000 -4.287) 5.716 7.076 ( 4.483 0.000 -1.808) 4.833 7.518 ( 3.110 0.000 8.671) 9.212 7.616 ( 5.018 0.000 2.009) 5.405 8.036 ( 5.358 0.000 5.785) 7.885 8.175 ( 4.889 0.000 -1.732) 5.187 8.549 ( -10.514 -0.000 -1.559) 10.629 8.647 ( 5.214 0.000 0.496) 5.238 8.767 ( 6.455 0.000 6.124) 8.898 8.861 ( -10.455 -0.000 -3.741) 11.104 9.444 ( 18.960 0.000 -1.119) 18.993 9.652 ( 14.180 0.000 -3.482) 14.601 9.664 ( -4.626 -0.000 7.821) 9.087 10.063 ( -11.723 -0.000 -4.860) 12.691 10.184 ( -0.343 -0.000 5.471) 5.482 10.420 ( 5.711 0.000 0.099) 5.712 10.949 ( -6.081 -0.000 1.659) 6.303 11.106 ( -9.517 -0.000 -6.569) 11.564 11.345 ( 8.427 0.000 2.097) 8.684 11.450 ( -5.498 -0.000 3.587) 6.565 13.157 ( -6.754 -0.000 0.521) 6.775 13.237 ( 0.774 0.000 -1.381) 1.583 13.966 ( -0.373 -0.000 0.136) 0.397 14.033 ( -0.582 -0.000 -1.553) 1.658 16.487 ( -7.729 -0.000 2.052) 7.997 16.716 ( -4.445 -0.000 -5.398) 6.993 16.964 ( -2.627 -0.000 6.457) 6.971 17.283 ( 1.907 0.000 -3.238) 3.758 18.533 ( 8.545 0.000 2.403) 8.877 18.801 ( 6.869 0.000 -5.486) 8.791 19.270 ( -4.676 -0.000 9.415) 10.512 20.009 ( -6.794 -0.000 -10.791) 12.752 21.662 ( 6.213 0.000 4.548) 7.700 21.862 ( 5.172 0.000 -1.121) 5.292 ======================= Grid point 218 (80/147) ======================= q-point: ( 0.31 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( 5.595 2.852 6.333) 8.918 3.137 ( 8.788 6.310 5.193) 12.001 3.367 ( -3.530 -0.366 -7.888) 8.650 3.678 ( -0.958 1.496 -9.001) 9.174 3.843 ( -5.584 -2.429 17.255) 18.298 4.095 ( -0.775 -2.686 5.883) 6.514 4.212 ( -0.579 0.041 8.189) 8.209 4.403 ( -1.569 -3.705 2.207) 4.589 4.688 ( -0.996 -4.503 -4.477) 6.428 4.768 ( 0.113 1.984 0.810) 2.146 4.817 ( 0.531 -6.828 -1.951) 7.121 5.392 ( -3.245 9.665 -10.142) 14.381 5.873 ( -5.249 -9.744 -5.937) 12.560 6.349 ( -2.172 0.520 -8.747) 9.028 6.855 ( -1.532 6.283 -5.746) 8.651 7.034 ( -5.015 11.903 -2.951) 13.249 7.517 ( -2.784 -0.407 8.187) 8.657 7.635 ( -4.101 -3.805 3.377) 6.534 8.012 ( -8.731 -5.114 4.943) 11.261 8.161 ( -6.008 3.379 -0.164) 6.895 8.292 ( -16.636 -0.355 -3.154) 16.936 8.491 ( -15.143 -5.029 -9.008) 18.323 8.823 ( 0.087 -1.618 8.960) 9.106 8.923 ( 6.850 -3.864 8.283) 11.422 9.432 ( -7.560 1.883 3.945) 8.733 9.704 ( -16.418 2.016 -2.184) 16.684 9.913 ( 14.205 1.297 -0.788) 14.286 9.998 ( 25.041 -0.043 -3.447) 25.277 10.228 ( -1.802 -0.696 0.373) 1.967 10.390 ( -8.239 1.321 -1.307) 8.446 10.951 ( 6.532 0.619 3.735) 7.550 11.069 ( 4.993 -0.641 -4.101) 6.492 11.433 ( 6.837 3.333 5.096) 9.156 11.614 ( 16.898 -2.822 -3.625) 17.512 13.135 ( 4.167 -0.411 4.122) 5.876 13.355 ( 11.789 0.594 -0.997) 11.846 13.978 ( 1.959 1.003 -1.056) 2.441 14.038 ( 0.880 -0.679 -2.929) 3.133 16.275 ( -15.031 -1.120 2.503) 15.279 16.565 ( -12.293 -1.359 -7.175) 14.298 16.889 ( -5.138 -0.434 8.448) 9.897 17.276 ( -2.290 0.688 -3.625) 4.343 18.638 ( 2.555 0.995 2.032) 3.413 18.882 ( 1.700 1.105 -6.000) 6.333 19.197 ( -2.508 1.423 9.929) 10.339 19.889 ( -5.723 -0.198 -9.658) 11.228 21.783 ( 5.960 -1.117 3.676) 7.092 21.946 ( 3.619 -0.065 -0.864) 3.722 ======================= Grid point 219 (81/147) ======================= q-point: (-0.62 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( -0.255 8.759 2.490) 9.110 3.114 ( -3.210 14.146 2.906) 14.794 3.296 ( -5.179 -4.820 -4.353) 8.307 3.574 ( -6.666 5.713 -3.325) 9.387 3.752 ( -7.335 -6.077 11.425) 14.874 4.028 ( -8.491 0.379 4.820) 9.771 4.159 ( -4.485 -1.852 10.524) 11.589 4.361 ( -6.747 -8.254 1.779) 10.808 4.699 ( -3.204 -2.481 -3.380) 5.277 4.725 ( -2.012 -1.502 3.188) 4.059 4.897 ( -0.850 -12.939 -7.343) 14.902 5.204 ( -7.439 13.923 -1.117) 15.825 5.811 ( -11.004 -16.558 -8.783) 21.735 6.277 ( -5.425 2.180 -10.126) 11.692 6.644 ( -12.287 24.233 -1.852) 27.233 6.780 ( -9.952 10.276 -8.655) 16.720 7.406 ( -11.854 -4.618 4.301) 13.429 7.549 ( -5.874 -0.691 7.993) 9.944 7.845 ( -14.523 -14.049 2.197) 20.325 7.905 ( -18.725 -2.062 -0.200) 18.839 7.959 ( -14.812 3.820 1.887) 15.413 8.268 ( -13.273 -8.343 -10.886) 19.086 8.770 ( -9.229 -3.856 13.161) 16.531 9.076 ( 6.950 -0.845 4.419) 8.279 9.318 ( -0.858 1.482 1.955) 2.599 9.386 ( -15.636 3.857 -1.559) 16.180 10.033 ( -15.887 1.639 -3.753) 16.406 10.133 ( 3.748 0.394 -4.300) 5.718 10.283 ( 16.338 1.692 5.458) 17.308 10.575 ( 25.308 1.219 0.470) 25.341 11.123 ( 10.626 0.554 -0.169) 10.642 11.218 ( 8.782 -0.918 -4.661) 9.985 11.649 ( 18.190 5.363 6.812) 20.151 12.007 ( 23.076 -0.348 -6.917) 24.093 13.296 ( 11.652 -0.242 8.364) 14.345 13.650 ( 19.328 2.202 -0.281) 19.455 14.017 ( 3.043 2.950 -2.304) 4.824 14.091 ( 4.562 -1.678 -4.152) 6.393 15.934 ( -23.227 -5.031 3.094) 23.967 16.272 ( -21.275 -6.550 -7.112) 23.369 16.776 ( -7.605 -0.978 8.144) 11.186 17.189 ( -6.280 1.050 -3.935) 7.485 18.601 ( -5.207 3.374 2.025) 6.526 18.845 ( -3.869 3.432 -6.201) 8.074 19.145 ( -2.707 0.788 10.391) 10.766 19.804 ( -4.039 -2.783 -8.349) 9.683 21.895 ( 5.453 0.816 2.295) 5.972 22.001 ( 2.563 0.187 -0.564) 2.631 ======================= Grid point 220 (82/147) ======================= q-point: (-0.54 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( -8.907 11.592 2.125) 14.772 2.880 ( -8.462 16.576 0.804) 18.628 3.212 ( -7.033 -2.190 -4.075) 8.418 3.366 ( -10.885 6.878 -4.569) 13.663 3.645 ( -8.986 -7.578 7.386) 13.883 3.797 ( -12.502 3.487 8.557) 15.547 4.057 ( -8.998 -4.389 14.073) 17.271 4.285 ( -8.573 -11.772 0.553) 14.573 4.577 ( -7.519 6.228 -1.156) 9.832 4.688 ( -5.961 -2.962 -1.664) 6.861 4.847 ( -9.868 3.055 2.893) 10.728 5.044 ( -5.626 -12.147 -3.225) 13.770 5.676 ( -15.376 -14.874 -11.683) 24.375 5.990 ( -23.666 11.775 -3.620) 26.681 6.217 ( -9.949 21.389 -7.478) 24.746 6.509 ( -13.014 6.907 -14.037) 20.350 7.134 ( -18.223 -4.298 6.317) 19.760 7.379 ( -12.857 5.783 7.098) 15.784 7.581 ( -14.413 -1.245 1.409) 14.535 7.639 ( -10.016 -3.190 4.088) 11.278 7.798 ( -10.049 -17.199 1.909) 20.011 8.059 ( -16.725 -6.539 -9.457) 20.295 8.566 ( -10.122 -3.599 12.240) 16.285 9.037 ( -15.518 3.701 -3.241) 16.279 9.189 ( 5.238 5.730 2.425) 8.133 9.387 ( 2.389 -2.361 -2.805) 4.376 9.769 ( -5.895 0.061 4.561) 7.454 10.248 ( 10.912 -0.519 -4.611) 11.858 10.657 ( 22.261 3.977 7.717) 23.894 11.018 ( 22.028 3.825 0.364) 22.360 11.329 ( 11.543 -0.285 -6.282) 13.144 11.405 ( 10.904 -0.557 -6.845) 12.886 11.999 ( 22.853 9.478 9.176) 26.387 12.476 ( 26.759 2.571 -6.963) 27.769 13.539 ( 13.012 0.080 10.673) 16.830 14.011 ( 18.751 5.051 -0.984) 19.444 14.043 ( 3.509 3.758 -1.539) 5.367 14.248 ( 11.471 0.464 -5.196) 12.602 15.475 ( -31.015 -12.550 3.966) 33.692 15.876 ( -27.624 -16.085 -7.227) 32.773 16.603 ( -11.966 -1.727 7.420) 14.185 17.021 ( -10.656 1.107 -4.252) 11.526 18.391 ( -13.358 6.083 2.651) 14.915 18.691 ( -9.542 4.512 -7.523) 12.961 19.068 ( -5.052 0.357 12.761) 13.730 19.781 ( -2.152 -7.370 -7.594) 10.799 21.957 ( 2.852 4.674 1.495) 5.676 22.068 ( 5.255 0.448 -1.291) 5.430 ======================= Grid point 221 (83/147) ======================= q-point: (-0.46 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -18.403 12.380 1.484) 22.229 2.599 ( -10.176 16.768 4.648) 20.158 3.045 ( -16.094 9.291 -5.180) 19.292 3.069 ( -8.774 0.169 -8.605) 12.290 3.496 ( -9.656 0.528 2.364) 9.955 3.583 ( -9.864 -3.611 11.859) 15.842 3.897 ( -10.616 -5.422 16.215) 20.125 4.148 ( -12.018 -0.072 0.451) 12.026 4.365 ( -9.176 0.087 -0.594) 9.195 4.531 ( -9.554 3.026 8.958) 13.441 4.646 ( -12.052 -2.789 -0.686) 12.390 4.993 ( -14.933 -17.975 -6.876) 24.359 5.286 ( -22.588 18.910 -1.115) 29.480 5.556 ( -18.587 -17.007 -13.342) 28.508 5.902 ( -11.244 13.161 -8.999) 19.509 6.170 ( -18.671 5.604 -19.019) 27.235 6.857 ( -11.657 1.101 6.726) 13.503 7.027 ( -15.465 9.850 8.355) 20.150 7.370 ( -11.562 -0.184 2.065) 11.746 7.480 ( -14.462 2.194 6.109) 15.851 7.664 ( -15.019 -14.415 -1.470) 20.869 7.783 ( -10.160 -9.985 2.140) 14.405 8.536 ( 2.036 -2.429 2.125) 3.816 8.817 ( -4.664 -0.732 -5.766) 7.452 9.142 ( -3.833 6.634 4.698) 8.987 9.416 ( 2.196 -4.197 -0.649) 4.781 9.889 ( 12.863 -1.414 6.697) 14.571 10.542 ( 18.115 -1.205 -2.815) 18.372 11.034 ( 20.472 5.037 8.613) 22.774 11.323 ( 14.375 7.358 -4.603) 16.792 11.581 ( 14.845 -0.373 -11.853) 19.000 11.658 ( 15.887 0.396 -7.737) 17.675 12.342 ( 20.907 12.987 13.490) 28.067 12.954 ( 25.774 6.691 -5.767) 27.246 13.762 ( 9.876 -0.391 9.257) 13.542 14.001 ( -3.520 3.714 -0.622) 5.154 14.332 ( 16.255 5.587 -1.173) 17.228 14.421 ( 1.377 9.346 -3.079) 9.936 15.047 ( -18.830 -25.084 4.057) 31.626 15.532 ( -20.869 -26.044 -8.378) 34.409 16.337 ( -17.984 -2.861 7.139) 19.560 16.769 ( -15.206 0.942 -4.790) 15.971 18.023 ( -20.579 6.661 3.684) 21.941 18.420 ( -15.564 4.936 -10.315) 19.314 18.955 ( -6.763 -0.626 17.929) 19.172 19.823 ( -0.536 -11.852 -7.545) 14.060 21.955 ( 1.662 6.976 1.992) 7.443 22.188 ( 8.488 2.743 -3.911) 9.740 ======================= Grid point 222 (84/147) ======================= q-point: (-0.38 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -26.911 10.770 2.526) 29.096 2.257 ( -13.056 17.362 12.355) 24.991 2.641 ( -18.309 7.590 -9.532) 21.993 2.936 ( -3.966 3.757 -8.188) 9.843 3.302 ( -6.524 10.977 3.128) 13.147 3.407 ( -11.472 -1.987 7.393) 13.792 3.753 ( -7.537 -3.485 13.683) 16.006 3.913 ( -7.692 6.111 5.884) 11.451 4.195 ( -13.593 4.999 4.282) 15.103 4.307 ( -17.023 -0.384 4.658) 17.653 4.343 ( -14.732 -4.016 -2.302) 15.442 4.673 ( -19.414 -15.385 -1.067) 24.794 4.957 ( -11.197 1.678 -3.198) 11.765 5.373 ( -10.718 -9.232 -19.560) 24.139 5.653 ( -9.680 0.147 -9.857) 13.816 5.768 ( -17.167 5.813 -19.240) 26.432 6.582 ( -14.157 10.821 8.865) 19.902 6.773 ( -5.408 7.187 6.333) 11.000 7.009 ( -20.852 4.768 8.731) 23.104 7.114 ( -17.383 3.817 -0.159) 17.798 7.634 ( -0.969 -11.695 1.450) 11.824 7.763 ( -1.494 -11.175 4.582) 12.170 8.624 ( 6.876 -0.664 -0.374) 6.918 8.734 ( -4.346 8.025 -4.397) 10.130 9.192 ( 8.686 -9.808 7.235) 14.967 9.512 ( 4.119 -4.323 0.991) 6.053 10.141 ( 11.492 -0.847 6.998) 13.481 10.884 ( 15.096 -2.273 1.839) 15.376 11.351 ( 16.230 4.581 7.317) 18.383 11.500 ( 12.136 11.129 -8.893) 18.714 11.885 ( 17.144 1.305 -20.789) 26.978 11.975 ( 17.260 0.837 -6.915) 18.613 12.608 ( 15.929 10.125 16.026) 24.761 13.253 ( 7.936 12.551 -5.191) 15.731 13.849 ( -13.545 -4.174 1.655) 14.270 13.861 ( -7.849 -4.185 2.572) 9.259 14.103 ( -11.002 -4.282 11.527) 16.500 14.558 ( 11.968 4.811 -4.676) 13.720 15.258 ( 16.075 -15.155 -0.617) 22.101 15.548 ( 6.309 -18.286 -9.400) 21.507 15.972 ( -21.450 -4.001 7.983) 23.235 16.444 ( -17.963 0.428 -5.532) 18.800 17.537 ( -25.976 4.659 4.561) 26.782 18.034 ( -22.165 4.208 -13.967) 26.535 18.833 ( -6.632 -1.859 25.382) 26.300 19.919 ( 0.688 -15.146 -7.794) 17.048 21.929 ( 1.471 9.303 2.901) 9.855 22.351 ( 11.084 3.937 -8.031) 14.243 ======================= Grid point 223 (85/147) ======================= q-point: (-0.31 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -32.038 8.479 10.318) 34.710 1.896 ( -10.132 20.703 20.669) 30.959 2.302 ( -11.555 5.690 -12.722) 18.104 2.868 ( 0.336 7.301 -10.760) 13.007 3.099 ( -1.207 27.972 7.182) 28.904 3.198 ( -8.963 2.883 6.769) 11.596 3.675 ( -5.290 2.354 8.562) 10.336 3.689 ( -11.925 1.035 -1.183) 12.028 3.863 ( -6.475 3.668 9.717) 12.239 4.016 ( -12.664 -2.571 7.730) 15.057 4.247 ( -7.607 -14.834 -3.954) 17.133 4.552 ( -6.093 -15.469 -3.964) 17.092 4.724 ( -12.334 -3.673 -2.290) 13.072 5.272 ( -4.442 -2.373 -15.940) 16.717 5.416 ( -8.387 12.666 -24.299) 28.656 5.618 ( -4.087 -13.910 -12.246) 18.978 6.247 ( -11.521 10.988 10.719) 19.193 6.582 ( -8.083 10.567 13.042) 18.631 6.724 ( -7.018 5.051 3.165) 9.208 6.809 ( -8.532 6.531 2.759) 11.094 7.704 ( 1.170 -5.402 4.914) 7.396 7.857 ( 1.042 -15.136 1.846) 15.284 8.602 ( -1.707 10.813 5.253) 12.142 8.788 ( 8.010 -2.072 -1.461) 8.401 9.463 ( 8.672 -13.327 3.251) 16.229 9.621 ( 3.261 -6.506 4.485) 8.548 10.317 ( 6.293 -1.293 8.804) 10.899 11.110 ( 6.867 -2.806 5.873) 9.462 11.547 ( 7.316 6.170 -4.692) 10.658 11.687 ( 16.988 10.060 3.225) 20.005 12.173 ( 13.780 3.491 -23.692) 27.629 12.277 ( 13.875 -1.894 -7.545) 15.907 12.745 ( -4.217 -2.506 1.428) 5.109 13.040 ( -19.599 4.794 -4.147) 20.598 13.402 ( -14.230 -3.791 14.944) 20.981 13.943 ( 4.922 -5.099 -0.536) 7.107 14.158 ( 4.260 -5.374 13.446) 15.094 14.738 ( 10.780 5.596 -5.239) 13.228 15.445 ( -20.638 -3.190 3.183) 21.124 15.719 ( 16.329 -10.000 -0.303) 19.150 16.007 ( 9.872 2.559 -8.915) 13.546 16.192 ( 5.834 -3.131 -3.904) 7.686 17.014 ( -25.773 -0.356 3.476) 26.009 17.512 ( -30.378 3.325 -16.182) 34.579 18.743 ( -4.361 -3.169 33.666) 34.095 20.049 ( 0.971 -16.993 -8.056) 18.831 21.880 ( 0.902 11.501 3.845) 12.160 22.541 ( 10.538 2.694 -14.219) 17.903 ======================= Grid point 224 (86/147) ======================= q-point: (-0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 0.000 9.092 22.999) 24.731 1.636 ( 0.000 23.158 25.726) 34.614 2.155 ( 0.000 4.425 -14.013) 14.695 2.762 ( 0.000 39.447 5.713) 39.859 2.866 ( 0.000 19.876 -6.264) 20.839 3.113 ( -0.000 -4.209 5.582) 6.991 3.511 ( -0.000 -3.000 -5.667) 6.412 3.700 ( 0.000 1.463 14.820) 14.892 3.757 ( 0.000 1.898 8.754) 8.957 3.923 ( -0.000 -5.457 3.358) 6.408 4.261 ( -0.000 -12.915 -7.063) 14.721 4.604 ( -0.000 -8.457 7.429) 11.257 4.651 ( -0.000 -18.414 -13.367) 22.754 5.241 ( 0.000 13.899 -24.783) 28.415 5.243 ( -0.000 -1.590 -13.248) 13.344 5.681 ( -0.000 -11.750 -16.343) 20.128 6.055 ( 0.000 10.512 12.226) 16.124 6.426 ( 0.000 10.436 17.709) 20.555 6.596 ( 0.000 6.846 -4.399) 8.138 6.707 ( 0.000 5.121 9.323) 10.637 7.741 ( -0.000 -1.854 7.315) 7.546 7.976 ( -0.000 -14.466 -0.892) 14.493 8.520 ( 0.000 9.633 11.262) 14.820 8.894 ( -0.000 -3.229 -3.218) 4.559 9.640 ( -0.000 -11.793 2.128) 11.984 9.717 ( -0.000 -10.820 9.321) 14.281 10.393 ( -0.000 -2.795 10.935) 11.286 11.192 ( -0.000 -2.555 6.668) 7.140 11.567 ( 0.000 7.533 -5.751) 9.477 11.908 ( 0.000 2.150 8.409) 8.679 12.304 ( 0.000 4.603 -22.288) 22.759 12.447 ( -0.000 -0.156 2.820) 2.824 12.609 ( -0.000 -9.900 -13.662) 16.872 12.712 ( 0.000 0.138 -3.805) 3.808 13.384 ( -0.000 -1.432 15.218) 15.285 14.026 ( -0.000 -3.492 -2.581) 4.343 14.251 ( -0.000 -5.137 15.853) 16.664 14.844 ( 0.000 6.832 -4.731) 8.310 15.160 ( -0.000 -0.319 7.503) 7.510 15.876 ( -0.000 -0.072 -13.167) 13.167 16.071 ( -0.000 -1.985 1.448) 2.457 16.549 ( -0.000 -0.195 10.055) 10.057 16.769 ( 0.000 2.579 -30.460) 30.569 16.977 ( -0.000 -0.103 -3.401) 3.403 18.729 ( -0.000 -6.172 40.492) 40.960 20.179 ( -0.000 -17.236 -8.321) 19.140 21.803 ( 0.000 13.065 4.262) 13.743 22.647 ( 0.000 2.188 -21.016) 21.130 ======================= Grid point 231 (87/147) ======================= q-point: (-0.69 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.057 ( 2.264 0.000 2.718) 3.537 3.225 ( -7.182 -0.000 -2.735) 7.685 3.257 ( -2.719 -0.000 -0.551) 2.774 3.630 ( -4.660 -0.000 -7.150) 8.535 3.689 ( -9.294 -0.000 18.873) 21.037 4.024 ( -6.124 -0.000 4.218) 7.436 4.153 ( -5.394 -0.000 10.606) 11.899 4.298 ( -7.709 -0.000 1.570) 7.868 4.640 ( -2.363 -0.000 -5.226) 5.735 4.749 ( -3.380 -0.000 6.587) 7.404 4.797 ( 0.075 0.000 -9.603) 9.604 5.353 ( -5.415 -0.000 -9.424) 10.869 5.648 ( -14.098 -0.000 -0.725) 14.116 6.293 ( -4.434 -0.000 -9.600) 10.574 6.807 ( -6.620 -0.000 -6.619) 9.361 6.897 ( -14.241 -0.000 -1.169) 14.288 7.422 ( -9.343 -0.000 1.926) 9.540 7.474 ( -9.885 -0.000 -0.381) 9.892 7.716 ( -16.003 -0.000 11.055) 19.451 7.889 ( -19.661 -0.000 -1.784) 19.742 8.016 ( -13.968 -0.000 0.904) 13.997 8.202 ( -12.810 -0.000 -11.380) 17.135 8.741 ( -8.410 -0.000 14.246) 16.543 9.066 ( 8.400 0.000 4.372) 9.470 9.331 ( -1.680 -0.000 2.971) 3.413 9.413 ( -16.009 -0.000 -1.720) 16.101 10.044 ( -16.009 -0.000 -4.442) 16.614 10.135 ( 2.661 0.000 -4.273) 5.034 10.296 ( 17.590 0.000 5.245) 18.355 10.584 ( 25.537 0.000 0.865) 25.552 11.129 ( 10.521 0.000 2.809) 10.890 11.208 ( 8.789 0.000 -6.548) 10.960 11.690 ( 18.760 0.000 6.549) 19.870 12.002 ( 23.905 0.000 -8.167) 25.262 13.295 ( 11.864 0.000 8.790) 14.765 13.665 ( 19.705 0.000 -0.235) 19.706 14.054 ( 5.829 0.000 -2.533) 6.355 14.063 ( 2.214 0.000 -4.147) 4.701 15.900 ( -24.259 -0.000 2.967) 24.440 16.224 ( -23.040 -0.000 -6.782) 24.017 16.769 ( -7.627 -0.000 8.155) 11.166 17.196 ( -6.353 -0.000 -4.138) 7.582 18.625 ( -4.646 -0.000 2.114) 5.104 18.870 ( -3.723 -0.000 -5.981) 7.045 19.151 ( -3.053 -0.000 9.824) 10.287 19.785 ( -5.009 -0.000 -8.137) 9.555 21.900 ( 6.722 0.000 2.264) 7.093 22.001 ( 2.255 0.000 -0.479) 2.305 ======================= Grid point 233 (88/147) ======================= q-point: (-0.62 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( -11.764 7.349 -2.596) 14.112 3.050 ( -5.728 5.872 -2.776) 8.660 3.174 ( -6.589 -1.998 0.301) 6.891 3.456 ( -10.637 5.848 6.943) 13.984 3.546 ( -9.019 -6.356 3.165) 11.478 3.846 ( -11.430 2.766 7.564) 13.982 4.023 ( -8.632 -0.898 12.069) 14.865 4.144 ( -9.964 -6.635 0.770) 11.996 4.589 ( -5.108 -3.892 -6.260) 8.968 4.658 ( -5.587 1.658 5.166) 7.788 4.791 ( -3.637 -6.303 -10.059) 12.415 5.126 ( -12.348 16.805 0.491) 20.859 5.415 ( -16.688 -19.716 -3.162) 26.023 6.121 ( -15.127 5.059 -10.491) 19.091 6.501 ( -18.774 14.343 -2.163) 23.725 6.593 ( -15.210 4.336 -7.506) 17.507 7.109 ( -15.951 2.710 1.230) 16.226 7.335 ( -13.251 -14.336 -4.499) 20.034 7.537 ( -5.368 -1.237 10.867) 12.183 7.564 ( -14.035 -1.065 1.660) 14.172 7.734 ( -12.925 1.305 4.105) 13.624 7.979 ( -15.010 -4.007 -10.825) 18.935 8.530 ( -10.307 -1.364 14.266) 17.653 9.071 ( -16.347 1.221 -3.719) 16.809 9.228 ( 6.036 0.701 1.772) 6.330 9.380 ( 2.671 0.549 -0.825) 2.849 9.771 ( -7.680 0.102 3.959) 8.641 10.243 ( 10.672 -0.248 -4.166) 11.459 10.691 ( 22.071 1.153 6.751) 23.109 11.055 ( 23.348 1.357 0.904) 23.405 11.332 ( 11.381 0.407 -3.140) 11.813 11.394 ( 10.986 -0.742 -8.883) 14.148 12.101 ( 24.885 4.329 7.899) 26.465 12.491 ( 27.171 0.136 -7.817) 28.273 13.541 ( 13.037 0.086 11.655) 17.487 14.057 ( 20.354 1.479 1.117) 20.438 14.107 ( 4.744 4.446 -5.180) 8.313 14.232 ( 12.601 -2.213 -4.093) 13.432 15.362 ( -33.564 -3.874 3.306) 33.948 15.711 ( -32.618 -6.675 -6.415) 33.907 16.587 ( -12.098 -0.534 7.493) 14.241 17.033 ( -10.820 0.461 -4.652) 11.787 18.450 ( -13.138 2.266 2.705) 13.604 18.736 ( -9.743 1.778 -6.592) 11.897 19.074 ( -5.061 0.312 11.069) 12.175 19.708 ( -3.857 -2.795 -6.790) 8.294 22.014 ( 4.230 3.598 0.597) 5.585 22.055 ( 5.058 -2.141 -0.415) 5.508 ======================= Grid point 234 (89/147) ======================= q-point: (-0.54 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( -20.210 7.140 -1.851) 21.514 2.810 ( -11.313 13.493 2.298) 17.758 3.048 ( -10.597 -3.061 -8.890) 14.167 3.175 ( -12.571 8.844 4.463) 16.005 3.426 ( -8.068 -8.014 2.853) 11.725 3.604 ( -10.564 4.337 8.612) 14.303 3.845 ( -10.174 -1.899 14.426) 17.755 4.027 ( -9.501 -11.234 -0.722) 14.730 4.459 ( -9.041 5.630 -7.401) 12.970 4.520 ( -8.999 -1.809 3.107) 9.691 4.675 ( -11.711 4.306 3.867) 13.063 4.796 ( -14.747 -5.743 -1.396) 15.887 5.258 ( -14.899 -20.390 -7.661) 26.390 5.607 ( -25.262 19.376 -3.405) 32.019 6.074 ( -18.523 8.888 -6.853) 21.658 6.229 ( -18.931 3.924 -11.278) 22.382 6.883 ( -6.437 3.037 0.590) 7.142 7.122 ( -14.574 -0.053 -4.353) 15.210 7.356 ( -9.462 -1.222 2.794) 9.942 7.444 ( -6.988 -4.740 8.914) 12.278 7.539 ( -17.599 -0.650 4.124) 18.088 7.656 ( -13.249 -9.495 1.482) 16.367 8.502 ( 4.715 -2.168 3.322) 6.161 8.804 ( -8.417 -0.694 -3.629) 9.192 9.229 ( -8.484 5.038 1.029) 9.921 9.364 ( 3.268 -3.071 -1.601) 4.762 9.881 ( 14.084 0.044 9.312) 16.884 10.526 ( 17.389 -1.005 -1.844) 17.515 11.078 ( 19.378 1.727 6.461) 20.500 11.403 ( 15.271 4.128 -5.168) 16.642 11.580 ( 15.516 0.063 -10.316) 18.632 11.660 ( 16.841 -0.082 -7.655) 18.499 12.518 ( 23.274 11.064 11.550) 28.240 13.000 ( 25.965 0.562 -4.203) 26.309 13.757 ( 9.374 -0.245 9.833) 13.588 14.091 ( -4.174 8.402 -2.874) 9.812 14.397 ( 15.064 4.109 -0.347) 15.618 14.551 ( 11.697 7.639 -3.668) 14.444 14.744 ( -27.798 -16.723 4.343) 32.730 15.201 ( -23.746 -20.801 -7.910) 32.544 16.308 ( -18.199 -1.298 7.418) 19.696 16.780 ( -15.487 0.565 -5.393) 16.408 18.099 ( -21.487 4.026 3.898) 22.205 18.475 ( -16.244 2.783 -8.487) 18.538 18.959 ( -6.436 0.803 14.695) 16.063 19.685 ( -2.162 -7.410 -6.094) 9.835 22.036 ( 2.130 4.480 1.191) 5.101 22.202 ( 8.551 -0.311 -3.065) 9.089 ======================= Grid point 235 (90/147) ======================= q-point: (-0.46 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( -29.896 6.802 1.899) 30.719 2.481 ( -12.394 14.596 8.084) 20.785 2.732 ( -18.866 4.646 -9.332) 21.554 2.988 ( -3.344 4.677 -2.007) 6.090 3.354 ( -6.848 -6.206 4.326) 10.204 3.380 ( -9.060 2.698 0.865) 9.493 3.704 ( -5.898 -2.792 14.903) 16.269 3.922 ( -8.325 -7.174 -2.537) 11.279 4.220 ( -8.991 7.259 -0.526) 11.567 4.298 ( -14.619 0.659 5.848) 15.759 4.411 ( -21.536 1.282 0.697) 21.585 4.501 ( -14.215 -6.818 3.133) 16.073 5.106 ( -12.504 19.001 -1.666) 22.808 5.156 ( -9.309 -19.408 -12.914) 25.102 5.678 ( -17.773 2.568 -6.319) 19.037 5.863 ( -15.323 5.822 -16.077) 22.960 6.720 ( -11.652 8.635 -0.239) 14.505 6.864 ( -6.497 5.224 1.401) 8.454 7.080 ( -18.826 4.952 6.965) 20.675 7.149 ( -14.849 1.290 0.820) 14.927 7.423 ( -2.076 -14.770 5.997) 16.076 7.637 ( -1.183 -8.825 5.249) 10.336 8.625 ( 7.289 0.908 -0.590) 7.369 8.788 ( 1.146 -0.472 -6.601) 6.716 9.098 ( 0.097 -3.287 9.224) 9.792 9.460 ( 3.913 -3.180 -1.941) 5.403 10.144 ( 12.464 1.152 9.976) 16.006 10.851 ( 14.170 -2.429 3.088) 14.705 11.391 ( 15.087 1.814 3.092) 15.507 11.623 ( 12.525 6.395 -10.997) 17.853 11.909 ( 19.116 1.896 -19.108) 27.095 11.989 ( 17.319 0.837 -6.764) 18.612 12.782 ( 12.787 14.275 16.183) 25.083 13.384 ( 10.099 5.911 -1.572) 11.806 13.770 ( -17.117 -7.458 2.331) 18.816 13.828 ( -18.516 -0.265 -0.318) 18.521 14.051 ( -14.860 -2.244 11.344) 18.829 14.596 ( 10.101 0.303 -8.305) 13.080 15.069 ( 20.001 -11.765 2.298) 23.318 15.355 ( 23.401 -9.265 -9.202) 26.798 15.930 ( -21.391 -2.210 8.626) 23.170 16.449 ( -18.552 0.310 -6.481) 19.654 17.597 ( -28.155 3.716 5.382) 28.905 18.082 ( -23.322 2.753 -11.101) 25.975 18.833 ( -5.771 1.229 20.290) 21.131 19.728 ( -0.521 -11.886 -6.009) 13.329 22.038 ( 2.045 6.418 2.105) 7.057 22.374 ( 9.432 0.056 -6.487) 11.447 ======================= Grid point 236 (91/147) ======================= q-point: (-0.38 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -32.756 6.331 10.326) 34.923 2.168 ( -8.117 18.050 14.899) 24.772 2.381 ( -12.748 5.579 -11.555) 18.088 2.940 ( 1.108 4.338 -7.435) 8.679 3.155 ( -9.458 -0.876 5.033) 10.749 3.347 ( 1.142 0.977 -2.050) 2.543 3.666 ( 0.085 -1.995 10.649) 10.835 3.753 ( -16.414 2.323 -4.449) 17.164 3.974 ( -7.737 7.212 10.020) 14.570 4.000 ( -14.450 0.934 6.415) 15.838 4.083 ( -7.371 -5.852 0.276) 9.415 4.413 ( -1.172 -3.131 0.987) 3.486 4.756 ( -14.074 10.991 -2.267) 18.001 5.188 ( -0.546 -12.462 -16.045) 20.324 5.421 ( -10.686 -8.511 -7.397) 15.535 5.591 ( -7.513 9.176 -19.328) 22.676 6.382 ( -13.504 8.221 7.383) 17.449 6.726 ( -5.395 9.339 6.452) 12.568 6.806 ( -6.777 7.081 3.428) 10.383 6.899 ( -6.507 5.904 0.813) 8.824 7.534 ( 0.754 -17.690 3.129) 17.980 7.692 ( 0.193 -8.969 6.450) 11.049 8.735 ( -1.330 7.556 1.911) 7.907 8.775 ( 7.526 0.723 -0.507) 7.578 9.276 ( 7.690 -13.234 4.624) 15.989 9.549 ( 2.637 -4.230 -0.390) 5.000 10.315 ( 6.395 1.053 10.911) 12.691 11.067 ( 6.504 -3.374 6.861) 10.039 11.620 ( 10.215 4.309 -3.870) 11.743 11.797 ( 11.170 5.841 -6.540) 14.201 12.226 ( 15.165 3.173 -22.688) 27.473 12.274 ( 12.519 1.874 -9.956) 16.105 12.731 ( -13.091 0.330 4.624) 13.887 13.095 ( -28.796 3.062 -4.771) 29.349 13.370 ( -5.495 -0.713 14.762) 15.768 13.860 ( 7.374 -6.921 2.721) 10.473 14.091 ( 4.100 -4.054 12.600) 13.857 14.794 ( 10.832 2.547 -9.122) 14.389 15.407 ( -17.773 -2.183 3.870) 18.320 15.596 ( 22.361 -7.445 3.517) 23.828 16.044 ( 14.277 2.570 -8.368) 16.747 16.156 ( 6.879 -2.212 -5.505) 9.084 17.016 ( -29.870 0.544 6.110) 30.494 17.549 ( -31.227 2.168 -12.590) 33.739 18.735 ( -3.399 1.301 26.312) 26.563 19.822 ( 0.304 -15.209 -6.343) 16.481 22.020 ( 1.306 8.560 3.083) 9.192 22.545 ( 7.506 -1.346 -10.505) 12.981 ======================= Grid point 237 (92/147) ======================= q-point: (-0.31 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 0.000 7.976 20.340) 21.848 1.947 ( 0.000 21.431 20.083) 29.370 2.220 ( 0.000 4.800 -13.980) 14.781 2.931 ( 0.000 5.782 -10.285) 11.799 3.069 ( -0.000 -2.239 4.814) 5.310 3.367 ( 0.000 26.832 6.462) 27.599 3.451 ( -0.000 -5.087 -5.739) 7.669 3.734 ( 0.000 0.569 6.726) 6.750 3.786 ( 0.000 2.024 6.908) 7.199 3.895 ( 0.000 5.306 11.964) 13.088 4.077 ( -0.000 -12.910 -2.511) 13.152 4.493 ( -0.000 -0.443 -10.770) 10.779 4.505 ( -0.000 -6.060 7.013) 9.268 5.226 ( -0.000 -0.843 -13.225) 13.252 5.397 ( -0.000 -2.771 -22.081) 22.254 5.482 ( -0.000 -5.398 -13.925) 14.935 6.187 ( 0.000 8.393 10.508) 13.448 6.588 ( 0.000 13.056 16.891) 21.349 6.684 ( 0.000 5.632 -4.140) 6.990 6.806 ( 0.000 8.037 3.291) 8.685 7.656 ( -0.000 -12.886 3.237) 13.286 7.767 ( -0.000 -12.661 5.208) 13.690 8.660 ( 0.000 9.728 6.827) 11.884 8.860 ( -0.000 -1.298 -1.076) 1.686 9.456 ( -0.000 -14.160 2.719) 14.419 9.611 ( -0.000 -5.546 2.298) 6.003 10.373 ( -0.000 -0.174 11.310) 11.311 11.151 ( -0.000 -3.412 7.618) 8.347 11.672 ( 0.000 7.571 -7.720) 10.813 11.937 ( 0.000 1.754 -0.192) 1.765 12.377 ( 0.000 5.220 -18.745) 19.458 12.445 ( -0.000 -0.143 2.864) 2.868 12.498 ( -0.000 -5.708 -19.439) 20.260 12.714 ( 0.000 0.129 -3.861) 3.864 13.383 ( 0.000 1.084 16.674) 16.709 13.973 ( -0.000 -4.287 -0.001) 4.287 14.177 ( -0.000 -5.173 16.442) 17.237 14.913 ( 0.000 3.375 -7.907) 8.597 15.155 ( -0.000 -0.300 7.543) 7.549 15.875 ( -0.000 -0.069 -13.248) 13.249 16.042 ( -0.000 -1.886 4.964) 5.310 16.547 ( -0.000 -0.184 10.116) 10.118 16.789 ( 0.000 0.794 -23.303) 23.316 16.975 ( -0.000 -0.098 -3.406) 3.408 18.695 ( 0.000 0.310 31.274) 31.276 19.939 ( -0.000 -16.985 -7.059) 18.393 21.966 ( 0.000 10.395 3.818) 11.073 22.640 ( -0.000 -2.344 -14.160) 14.353 ======================= Grid point 246 (93/147) ======================= q-point: (-0.62 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( -21.265 -0.000 -2.952) 21.469 2.948 ( -14.159 -0.000 4.259) 14.786 2.986 ( -8.156 -0.000 -11.450) 14.058 3.269 ( -10.114 -0.000 18.732) 21.288 3.335 ( -10.186 -0.000 -7.853) 12.861 3.646 ( -10.813 -0.000 8.415) 13.702 3.838 ( -10.127 -0.000 12.576) 16.147 3.931 ( -8.951 -0.000 -0.517) 8.966 4.461 ( -7.398 -0.000 -5.257) 9.076 4.540 ( -7.418 -0.000 3.050) 8.021 4.649 ( -10.254 -0.000 -9.773) 14.165 4.897 ( -21.195 -0.000 8.186) 22.721 5.027 ( -11.852 -0.000 -4.862) 12.811 5.764 ( -22.532 -0.000 -8.641) 24.133 6.115 ( -23.799 -0.000 -1.182) 23.828 6.278 ( -19.270 -0.000 -8.280) 20.974 6.930 ( -5.123 -0.000 -4.107) 6.566 7.053 ( -10.429 -0.000 -6.432) 12.253 7.349 ( -9.400 -0.000 2.738) 9.790 7.495 ( -1.178 -0.000 8.112) 8.197 7.497 ( -11.192 -0.000 7.915) 13.707 7.566 ( -26.017 -0.000 0.276) 26.018 8.485 ( 5.597 0.000 3.865) 6.802 8.800 ( -10.204 -0.000 -3.181) 10.688 9.267 ( -11.240 -0.000 -0.040) 11.240 9.340 ( 5.084 0.000 -1.713) 5.365 9.883 ( 14.742 0.000 10.115) 17.879 10.519 ( 17.047 0.000 -1.488) 17.112 11.089 ( 19.013 0.000 5.600) 19.820 11.433 ( 15.558 0.000 -4.871) 16.303 11.581 ( 15.507 0.000 -9.981) 18.441 11.659 ( 17.408 0.000 -7.528) 18.965 12.603 ( 25.017 0.000 10.514) 27.136 12.997 ( 25.215 0.000 -3.570) 25.466 13.756 ( 9.218 0.000 10.016) 13.612 14.172 ( -3.373 -0.000 -5.350) 6.324 14.455 ( 14.147 0.000 3.290) 14.524 14.509 ( 10.312 0.000 -0.366) 10.319 14.703 ( -23.289 -0.000 0.140) 23.289 15.024 ( -27.941 -0.000 -8.554) 29.221 16.299 ( -18.270 -0.000 7.487) 19.744 16.784 ( -15.612 -0.000 -5.614) 16.591 18.127 ( -21.821 -0.000 3.975) 22.180 18.494 ( -16.559 -0.000 -7.718) 18.270 18.966 ( -6.168 -0.000 13.323) 14.682 19.632 ( -2.848 -0.000 -5.461) 6.159 22.070 ( 1.936 0.000 0.732) 2.069 22.196 ( 8.909 0.000 -2.596) 9.280 ======================= Grid point 248 (94/147) ======================= q-point: (-0.54 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -31.487 2.328 2.020) 31.637 2.646 ( -12.912 8.463 5.211) 16.294 2.752 ( -16.825 -1.605 -11.859) 20.647 3.083 ( -4.280 8.649 5.810) 11.264 3.236 ( -5.093 -9.810 0.771) 11.080 3.412 ( -13.168 1.768 1.754) 13.401 3.683 ( -5.291 -0.471 14.226) 15.186 3.813 ( -6.277 -5.530 -3.014) 8.892 4.264 ( -14.351 -0.393 0.064) 14.356 4.339 ( -22.988 -3.155 -2.986) 23.395 4.389 ( -7.773 4.627 -1.556) 9.178 4.540 ( -9.747 9.436 10.024) 16.868 4.878 ( -9.626 -17.668 -7.515) 21.478 5.380 ( -11.834 14.698 -5.245) 19.585 5.688 ( -21.163 -1.320 -3.803) 21.543 5.916 ( -16.438 1.915 -10.081) 19.378 6.807 ( -11.177 3.648 -5.581) 13.015 6.892 ( -7.758 -0.965 -6.141) 9.941 7.119 ( -15.297 0.435 5.246) 16.178 7.155 ( -12.207 -0.160 1.082) 12.256 7.323 ( -4.655 0.782 12.322) 13.196 7.515 ( -0.738 -7.491 6.250) 9.784 8.646 ( 9.131 1.673 -1.962) 9.488 8.751 ( 4.015 -3.023 -3.377) 6.055 9.084 ( -6.244 0.068 7.404) 9.686 9.428 ( 3.828 -1.274 -2.980) 5.015 10.162 ( 13.187 0.981 11.364) 17.436 10.824 ( 13.507 -1.137 3.736) 14.060 11.407 ( 15.111 0.512 1.215) 15.168 11.680 ( 11.994 2.004 -11.841) 16.973 11.931 ( 20.987 1.034 -18.695) 28.125 11.994 ( 16.929 -0.019 -5.670) 17.853 12.959 ( 12.106 8.882 14.170) 20.646 13.416 ( 16.922 -0.278 2.979) 17.184 13.672 ( -33.613 -4.877 3.683) 34.164 13.836 ( -14.130 0.604 -1.166) 14.190 14.049 ( -23.175 1.156 7.822) 24.487 14.571 ( 11.002 -2.482 -11.704) 16.254 14.959 ( 24.167 -3.790 5.774) 25.135 15.279 ( 32.454 -2.385 -9.381) 33.866 15.910 ( -21.367 -0.699 8.884) 23.151 16.452 ( -18.838 0.114 -6.955) 20.082 17.633 ( -29.385 1.426 5.784) 29.983 18.108 ( -23.981 0.948 -9.380) 25.767 18.852 ( -5.243 1.021 17.024) 17.842 19.609 ( -1.273 -4.729 -4.647) 6.751 22.101 ( 2.222 2.465 1.408) 3.605 22.367 ( 8.718 -0.556 -5.475) 10.309 ======================= Grid point 249 (95/147) ======================= q-point: (-0.46 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -32.940 3.434 10.426) 34.721 2.375 ( -7.709 11.020 5.175) 14.409 2.448 ( -12.715 3.817 -6.527) 14.793 3.009 ( 1.337 6.215 -5.208) 8.218 3.150 ( -9.770 0.044 4.627) 10.811 3.272 ( -0.250 -9.145 -3.171) 9.683 3.639 ( -2.273 -1.086 10.724) 11.016 3.710 ( -10.947 -5.775 -5.393) 13.500 3.937 ( -14.168 -6.042 4.950) 16.178 3.994 ( -12.939 -1.031 4.721) 13.812 4.207 ( -3.906 16.065 -0.516) 16.541 4.412 ( -1.113 1.072 7.964) 8.113 4.897 ( -4.724 -15.764 -11.589) 20.128 5.069 ( -6.264 18.626 -1.576) 19.714 5.365 ( -13.376 -1.686 -7.695) 15.523 5.673 ( -7.719 2.028 -13.417) 15.611 6.468 ( -15.200 4.211 5.803) 16.806 6.799 ( -3.333 1.447 -3.949) 5.366 6.918 ( -8.609 5.593 1.450) 10.369 6.969 ( -2.666 5.609 -0.647) 6.244 7.318 ( -0.363 -10.460 9.870) 14.386 7.566 ( -0.080 -9.116 6.194) 11.022 8.780 ( 4.913 1.644 -0.828) 5.247 8.834 ( 3.550 5.057 0.048) 6.179 9.111 ( 5.013 -10.051 6.909) 13.187 9.501 ( 2.349 -2.615 -2.662) 4.409 10.340 ( 6.617 2.052 12.392) 14.197 11.023 ( 6.215 -2.603 7.417) 10.020 11.665 ( 12.696 2.187 -3.383) 13.320 11.853 ( 7.917 2.520 -12.299) 14.842 12.254 ( 12.464 1.381 -10.331) 16.248 12.311 ( 15.836 2.327 -23.630) 28.541 12.746 ( -22.690 1.433 6.074) 23.532 13.126 ( -35.095 1.443 -4.850) 35.458 13.381 ( 1.708 1.887 13.772) 14.005 13.761 ( 10.225 -6.736 7.683) 14.455 14.050 ( 4.012 -1.847 10.761) 11.632 14.812 ( 11.733 0.419 -12.739) 17.325 15.388 ( -17.624 -0.549 5.003) 18.328 15.517 ( 27.573 -4.006 6.479) 28.606 16.077 ( 16.392 2.175 -7.870) 18.313 16.129 ( 7.386 -1.766 -6.706) 10.131 17.025 ( -32.717 0.585 7.627) 33.600 17.572 ( -31.874 1.117 -10.372) 33.538 18.763 ( -2.901 2.121 21.163) 21.466 19.646 ( -0.181 -9.554 -4.503) 10.563 22.113 ( 1.522 4.842 2.134) 5.506 22.519 ( 6.003 -1.857 -8.251) 10.371 ======================= Grid point 250 (96/147) ======================= q-point: (-0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 0.000 5.424 18.720) 19.490 2.214 ( 0.000 16.476 15.550) 22.655 2.282 ( 0.000 3.938 -14.176) 14.713 3.000 ( 0.000 4.829 -10.003) 11.108 3.050 ( -0.000 -0.584 3.974) 4.017 3.382 ( -0.000 -4.449 -4.858) 6.587 3.469 ( -0.000 -6.783 2.338) 7.175 3.727 ( -0.000 -1.885 9.703) 9.884 3.806 ( 0.000 0.772 4.160) 4.231 3.920 ( -0.000 -9.231 0.415) 9.241 4.051 ( 0.000 15.609 5.965) 16.709 4.437 ( -0.000 -3.749 7.693) 8.558 4.700 ( 0.000 24.878 -8.187) 26.190 5.131 ( -0.000 -21.146 -6.011) 21.983 5.219 ( -0.000 -0.233 -13.062) 13.064 5.577 ( 0.000 5.992 -16.352) 17.416 6.283 ( 0.000 5.326 9.457) 10.854 6.749 ( 0.000 3.642 -3.954) 5.376 6.768 ( 0.000 11.289 7.420) 13.509 6.908 ( 0.000 6.589 -0.785) 6.635 7.417 ( -0.000 -17.210 5.870) 18.184 7.631 ( -0.000 -9.324 6.691) 11.476 8.772 ( 0.000 5.988 5.020) 7.814 8.867 ( 0.000 2.792 -0.319) 2.810 9.263 ( -0.000 -13.388 3.293) 13.787 9.547 ( -0.000 -3.758 -1.420) 4.017 10.387 ( 0.000 2.024 12.639) 12.800 11.102 ( -0.000 -3.394 8.252) 8.922 11.771 ( 0.000 6.447 -8.155) 10.395 11.951 ( 0.000 0.071 -7.202) 7.202 12.413 ( -0.000 -0.709 -5.634) 5.679 12.443 ( -0.000 -0.100 2.901) 2.903 12.474 ( 0.000 2.323 -32.908) 32.990 12.715 ( 0.000 0.091 -3.907) 3.908 13.410 ( 0.000 2.680 16.243) 16.462 13.905 ( -0.000 -5.338 5.098) 7.381 14.119 ( -0.000 -3.113 14.855) 15.177 14.943 ( 0.000 1.158 -11.073) 11.133 15.152 ( -0.000 -0.213 7.576) 7.579 15.874 ( -0.000 -0.050 -13.316) 13.316 16.023 ( -0.000 -0.877 8.275) 8.322 16.544 ( -0.000 -0.130 10.167) 10.168 16.798 ( 0.000 0.564 -18.412) 18.420 16.974 ( -0.000 -0.069 -3.410) 3.411 18.718 ( 0.000 2.466 24.513) 24.637 19.725 ( -0.000 -13.253 -5.105) 14.203 22.087 ( 0.000 6.975 2.781) 7.509 22.599 ( -0.000 -3.137 -10.345) 10.811 ======================= Grid point 261 (97/147) ======================= q-point: (-0.54 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -32.973 -0.000 10.465) 34.594 2.451 ( -12.347 -0.000 -14.567) 19.096 2.478 ( -7.743 -0.000 10.648) 13.165 3.106 ( -3.262 -0.000 -6.838) 7.576 3.131 ( 4.752 0.000 7.183) 8.613 3.169 ( -10.628 -0.000 -2.396) 10.895 3.642 ( 0.846 0.000 12.737) 12.765 3.654 ( -13.577 -0.000 -6.984) 15.268 3.888 ( -14.538 -0.000 4.822) 15.317 3.986 ( -13.007 -0.000 3.586) 13.492 4.349 ( -0.346 -0.000 -1.759) 1.792 4.461 ( -4.589 -0.000 7.298) 8.621 4.689 ( -2.712 -0.000 -6.587) 7.123 5.286 ( -5.979 -0.000 -9.881) 11.549 5.333 ( -14.164 -0.000 -2.459) 14.376 5.670 ( -8.747 -0.000 -9.536) 12.940 6.498 ( -15.752 -0.000 5.492) 16.682 6.798 ( -2.450 -0.000 -6.153) 6.622 6.938 ( -9.641 -0.000 -1.568) 9.768 7.028 ( -0.390 -0.000 -3.600) 3.621 7.265 ( -1.767 -0.000 14.100) 14.211 7.484 ( 0.018 0.000 6.779) 6.779 8.795 ( 4.005 0.000 -1.633) 4.325 8.878 ( 8.639 0.000 -1.991) 8.866 9.028 ( 0.758 0.000 10.044) 10.072 9.482 ( 2.234 0.000 -3.275) 3.964 10.357 ( 6.721 0.000 12.842) 14.494 11.004 ( 6.100 0.000 7.567) 9.720 11.680 ( 13.652 0.000 -3.215) 14.025 11.870 ( 6.894 0.000 -14.008) 15.613 12.265 ( 11.180 0.000 -6.315) 12.840 12.327 ( 17.611 0.000 -28.054) 33.123 12.758 ( -27.187 -0.000 6.134) 27.870 13.136 ( -37.205 -0.000 -4.817) 37.515 13.401 ( 4.161 0.000 12.572) 13.243 13.706 ( 11.791 0.000 10.539) 15.815 14.038 ( 4.046 0.000 10.018) 10.804 14.814 ( 12.438 0.000 -14.130) 18.824 15.386 ( -20.031 -0.000 5.458) 20.762 15.488 ( 31.568 0.000 7.552) 32.458 16.102 ( 40.501 0.000 -6.720) 41.055 16.107 ( -15.942 -0.000 -8.093) 17.879 17.030 ( -33.733 -0.000 8.117) 34.696 17.580 ( -32.104 -0.000 -9.623) 33.515 18.780 ( -2.743 -0.000 19.258) 19.452 19.577 ( -0.363 -0.000 -3.675) 3.693 22.148 ( 1.585 0.000 1.703) 2.327 22.505 ( 5.559 0.000 -7.460) 9.304 ======================= Grid point 263 (98/147) ======================= q-point: (-0.46 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 0.000 1.921 17.972) 18.074 2.322 ( 0.000 1.569 -14.439) 14.524 2.379 ( 0.000 6.571 12.442) 14.071 3.047 ( 0.000 0.045 3.391) 3.391 3.070 ( 0.000 4.484 -12.968) 13.721 3.337 ( -0.000 -1.794 -4.150) 4.521 3.344 ( -0.000 -7.631 4.376) 8.796 3.686 ( -0.000 -2.407 13.286) 13.503 3.803 ( -0.000 -1.318 2.105) 2.484 3.840 ( -0.000 -1.980 2.069) 2.864 4.299 ( 0.000 17.161 -1.394) 17.218 4.402 ( -0.000 -1.243 8.489) 8.580 4.745 ( -0.000 -16.741 -7.784) 18.463 5.129 ( 0.000 15.751 -0.710) 15.767 5.218 ( -0.000 -0.023 -12.940) 12.940 5.601 ( -0.000 -1.703 -10.538) 10.675 6.333 ( 0.000 1.819 8.962) 9.145 6.783 ( 0.000 1.255 -3.858) 4.057 6.835 ( -0.000 -0.591 -3.134) 3.189 7.006 ( 0.000 6.001 -4.225) 7.339 7.262 ( -0.000 -4.253 13.167) 13.837 7.509 ( -0.000 -6.651 6.742) 9.471 8.819 ( 0.000 1.331 3.520) 3.763 8.941 ( 0.000 6.927 -0.003) 6.927 9.096 ( -0.000 -10.054 4.997) 11.227 9.509 ( -0.000 -1.522 -2.978) 3.344 10.415 ( 0.000 1.376 13.340) 13.410 11.065 ( -0.000 -1.542 8.507) 8.646 11.843 ( 0.000 3.411 -6.214) 7.089 11.941 ( -0.000 -1.116 -12.719) 12.768 12.402 ( -0.000 -0.405 -6.021) 6.035 12.442 ( -0.000 -0.036 2.922) 2.922 12.505 ( 0.000 1.307 -32.624) 32.651 12.716 ( 0.000 0.033 -3.933) 3.933 13.446 ( 0.000 1.871 14.612) 14.732 13.841 ( -0.000 -3.021 10.223) 10.660 14.092 ( -0.000 -0.890 13.002) 13.032 14.951 ( 0.000 0.220 -12.982) 12.984 15.150 ( -0.000 -0.077 7.594) 7.595 15.874 ( -0.000 -0.018 -13.354) 13.354 16.016 ( -0.000 -0.183 10.196) 10.198 16.543 ( -0.000 -0.047 10.196) 10.196 16.804 ( 0.000 0.239 -16.045) 16.046 16.973 ( -0.000 -0.025 -3.412) 3.412 18.749 ( 0.000 1.441 20.785) 20.835 19.592 ( -0.000 -5.255 -3.600) 6.370 22.155 ( 0.000 2.594 1.970) 3.257 22.565 ( -0.000 -1.475 -8.509) 8.636 ======================= Grid point 350 (99/147) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 0.000 0.000 29.324) 29.324 1.279 ( 0.000 0.000 33.569) 33.569 1.691 ( 0.000 0.000 -23.740) 23.740 1.880 ( 0.000 0.000 -28.399) 28.399 2.421 ( 0.000 0.000 54.880) 54.880 3.415 ( 0.000 0.000 -47.690) 47.690 3.442 ( 0.000 0.000 3.373) 3.373 3.464 ( 0.000 0.000 1.921) 1.921 3.903 ( 0.000 0.000 12.309) 12.309 4.203 ( 0.000 0.000 -18.167) 18.167 4.404 ( 0.000 0.000 33.027) 33.027 4.925 ( 0.000 0.000 12.913) 12.913 4.999 ( 0.000 0.000 -28.013) 28.013 5.087 ( 0.000 0.000 -0.565) 0.565 5.094 ( 0.000 0.000 -0.884) 0.884 5.279 ( 0.000 0.000 -20.339) 20.339 6.023 ( 0.000 0.000 14.054) 14.054 6.248 ( 0.000 0.000 -9.941) 9.941 6.456 ( 0.000 0.000 18.009) 18.009 6.713 ( 0.000 0.000 -9.682) 9.682 7.888 ( 0.000 0.000 14.072) 14.072 8.112 ( 0.000 0.000 -9.540) 9.540 8.645 ( 0.000 0.000 6.435) 6.435 8.777 ( 0.000 0.000 -7.429) 7.429 9.982 ( 0.000 0.000 4.411) 4.411 10.097 ( 0.000 0.000 -7.940) 7.940 11.183 ( 0.000 0.000 9.978) 9.978 11.314 ( 0.000 0.000 -4.684) 4.684 11.423 ( 0.000 0.000 12.660) 12.660 11.686 ( 0.000 0.000 -14.452) 14.452 12.523 ( 0.000 0.000 4.792) 4.792 12.620 ( 0.000 0.000 -5.369) 5.369 12.920 ( 0.000 0.000 6.971) 6.971 13.051 ( 0.000 0.000 -6.951) 6.951 13.726 ( 0.000 0.000 8.697) 8.697 13.917 ( 0.000 0.000 -11.360) 11.360 14.328 ( 0.000 0.000 5.131) 5.131 14.417 ( 0.000 0.000 -4.156) 4.156 15.358 ( 0.000 0.000 12.497) 12.497 15.614 ( 0.000 0.000 -14.554) 14.554 15.974 ( 0.000 0.000 10.877) 10.877 16.161 ( 0.000 0.000 -8.776) 8.776 16.738 ( 0.000 0.000 9.213) 9.213 16.886 ( 0.000 0.000 -6.581) 6.581 20.462 ( 0.000 0.000 3.508) 3.508 20.540 ( 0.000 0.000 -4.717) 4.717 21.209 ( 0.000 0.000 5.312) 5.312 21.299 ( 0.000 0.000 -4.146) 4.146 ======================= Grid point 351 (100/147) ======================= q-point: ( 0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 3.991 -11.978 28.506) 31.176 1.371 ( 15.203 -4.573 22.614) 27.630 1.816 ( 11.722 -0.944 -19.399) 22.685 1.958 ( 4.688 -7.341 -29.686) 30.937 2.621 ( 18.204 -5.229 51.867) 55.217 3.405 ( 4.854 -0.037 -14.683) 15.464 3.588 ( 11.747 0.285 2.686) 12.053 3.693 ( 18.083 -0.054 -22.324) 28.728 4.031 ( 12.459 -0.765 8.910) 15.336 4.297 ( 8.920 0.028 -17.077) 19.266 4.415 ( 3.894 5.256 31.288) 31.964 4.900 ( -1.964 -1.334 10.884) 11.140 4.975 ( 2.396 11.609 -25.570) 28.184 5.133 ( 3.994 0.100 -6.450) 7.587 5.239 ( 14.663 2.280 -1.064) 14.877 5.358 ( 8.375 -2.351 -15.105) 17.431 6.113 ( 8.260 -3.614 14.593) 17.154 6.352 ( 9.617 -2.617 -11.044) 14.877 6.562 ( 10.245 -2.316 16.515) 19.573 6.794 ( 8.224 -0.786 -8.252) 11.676 7.872 ( -1.480 -0.210 13.208) 13.292 8.080 ( -2.478 0.795 -8.687) 9.068 8.582 ( -5.368 0.034 7.020) 8.837 8.708 ( -6.774 -0.664 -6.512) 9.420 9.901 ( -7.489 2.773 4.765) 9.300 10.023 ( -6.587 3.047 -8.416) 11.113 11.066 ( -12.610 12.650 14.619) 23.081 11.218 ( -11.479 2.043 -2.151) 11.856 11.324 ( -13.002 -2.918 9.673) 16.466 11.403 ( -24.212 -9.897 6.134) 26.867 12.036 ( -21.888 4.216 0.307) 22.292 12.221 ( -27.292 2.443 -14.233) 30.877 12.774 ( -13.398 -1.950 4.593) 14.297 12.880 ( -16.904 0.957 -6.648) 18.190 13.931 ( 17.175 4.855 15.240) 23.469 14.145 ( 7.565 9.663 -4.891) 13.211 14.290 ( -4.060 -9.228 2.208) 10.320 14.380 ( -5.218 -5.210 -5.776) 9.367 15.660 ( 24.376 1.900 5.761) 25.120 15.774 ( 15.337 0.801 -6.688) 16.751 16.139 ( 8.761 6.470 -0.562) 10.906 16.196 ( 8.319 -1.263 -5.941) 10.300 17.005 ( 24.608 -1.550 0.293) 24.659 17.061 ( 16.978 -2.304 -4.177) 17.635 20.249 ( -7.195 25.808 13.487) 29.996 20.454 ( -5.374 8.842 -9.253) 13.881 21.327 ( 0.193 -22.481 0.888) 22.500 21.368 ( 1.390 -14.545 -2.910) 14.899 ======================= Grid point 352 (101/147) ======================= q-point: ( 0.15 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 10.803 -19.613 23.801) 32.678 1.788 ( 22.450 -7.421 13.992) 27.475 2.089 ( 13.711 -2.627 -18.639) 23.287 2.174 ( 13.351 -10.055 -22.814) 28.282 3.092 ( 24.247 -7.744 38.569) 46.211 3.566 ( 11.241 0.807 -3.029) 11.670 3.843 ( 13.886 -1.627 6.629) 15.473 4.039 ( 17.017 0.853 -17.681) 24.555 4.294 ( 10.478 -3.109 5.380) 12.182 4.441 ( 8.900 7.150 5.761) 12.787 4.572 ( 14.044 0.782 2.458) 14.279 4.887 ( 1.020 3.015 -0.063) 3.183 4.970 ( 6.315 7.938 -11.397) 15.257 5.236 ( 7.412 -1.809 -18.990) 20.466 5.581 ( 24.174 8.430 -1.370) 25.638 5.622 ( 19.246 5.446 -6.120) 20.917 6.390 ( 16.563 -8.177 13.740) 23.022 6.622 ( 15.378 -4.697 -10.516) 19.212 6.864 ( 18.841 -3.991 12.425) 22.919 7.034 ( 16.285 -1.372 -5.103) 17.121 7.855 ( 0.290 -0.068 11.965) 11.969 8.047 ( 0.853 1.096 -8.215) 8.332 8.501 ( -2.181 -0.825 4.851) 5.382 8.581 ( -5.777 -1.203 -3.811) 7.025 9.676 ( -12.655 5.111 5.881) 14.861 9.817 ( -11.285 5.704 -8.824) 15.419 10.537 ( -24.655 7.198 26.576) 36.959 10.862 ( -22.863 3.053 -6.810) 24.050 11.094 ( -13.881 -9.150 8.931) 18.873 11.187 ( -12.561 -8.284 -0.514) 15.056 11.723 ( -10.839 5.540 -5.767) 13.470 11.813 ( -14.625 1.711 -13.120) 19.722 12.477 ( -20.180 -6.056 2.862) 21.263 12.541 ( -19.883 -9.195 -3.643) 22.207 14.062 ( -8.014 1.193 5.333) 9.700 14.112 ( 2.075 4.467 2.932) 5.732 14.248 ( -4.842 -5.068 2.854) 7.568 14.310 ( -5.195 -0.561 -0.687) 5.270 16.026 ( 17.163 12.196 0.402) 21.058 16.095 ( 20.154 9.042 -7.018) 23.177 16.303 ( 16.185 5.134 5.215) 17.763 16.399 ( 12.642 2.975 -4.643) 13.792 17.434 ( 21.190 -2.770 3.184) 21.606 17.547 ( 24.539 -4.526 -9.908) 26.848 19.951 ( -5.998 21.691 19.290) 29.641 20.263 ( -6.504 11.419 -14.210) 19.355 21.469 ( 1.075 -16.412 1.512) 16.516 21.513 ( 0.402 -19.691 -3.095) 19.937 ======================= Grid point 353 (102/147) ======================= q-point: ( 0.23 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 15.247 -16.761 19.074) 29.618 2.270 ( 21.419 -8.448 14.031) 26.963 2.373 ( 13.873 -6.092 -20.674) 25.632 2.562 ( 18.940 -8.083 -16.725) 26.529 3.575 ( 20.152 -6.677 23.728) 31.838 3.786 ( 12.298 0.911 2.987) 12.688 4.131 ( 13.351 -6.876 12.154) 19.320 4.281 ( 9.533 1.405 -1.010) 9.689 4.464 ( 5.533 -5.420 5.334) 9.404 4.563 ( 7.406 3.905 -0.252) 8.376 4.767 ( 6.907 -0.193 -8.658) 11.077 4.869 ( 1.711 10.358 -10.372) 14.758 5.196 ( 16.919 -4.973 -1.443) 17.694 5.455 ( 15.570 4.462 -20.090) 25.806 5.941 ( 21.243 13.730 0.902) 25.310 5.989 ( 24.218 12.958 -5.135) 27.943 6.821 ( 21.146 -9.346 9.715) 25.078 6.974 ( 17.770 -5.663 -5.797) 19.531 7.285 ( 20.626 -4.440 8.723) 22.830 7.406 ( 20.058 -2.758 -2.894) 20.452 7.914 ( 7.156 0.921 12.021) 14.020 8.128 ( 9.475 2.573 -10.448) 14.337 8.538 ( 5.185 -2.482 1.062) 5.845 8.557 ( 3.402 -1.385 -1.019) 3.812 9.387 ( -13.196 5.062 7.774) 16.131 9.557 ( -11.498 4.406 -9.725) 15.691 10.130 ( -15.464 1.574 18.427) 24.108 10.411 ( -20.864 1.273 -9.947) 23.149 10.879 ( -15.732 -8.478 10.095) 20.525 10.993 ( -14.034 -7.846 -2.220) 16.231 11.514 ( -8.106 5.367 -2.927) 10.153 11.571 ( -9.447 5.300 -8.151) 13.556 12.138 ( -20.421 -8.496 5.280) 22.739 12.245 ( -19.981 -13.635 -6.207) 24.973 13.867 ( -12.736 -2.381 5.919) 14.244 13.971 ( -13.100 -3.183 -4.885) 14.339 14.187 ( -5.887 1.896 3.269) 6.996 14.203 ( -4.275 -0.068 1.741) 4.616 16.208 ( 15.143 19.107 5.528) 24.999 16.342 ( 15.056 16.961 -8.285) 24.146 16.596 ( 15.673 2.005 3.472) 16.178 16.664 ( 15.347 -0.108 -3.588) 15.761 17.839 ( 18.484 -4.033 5.809) 19.791 17.981 ( 18.407 -4.070 -9.604) 21.157 19.727 ( -4.412 15.031 19.695) 25.166 20.070 ( -5.858 10.161 -16.505) 20.248 21.600 ( 1.865 -13.208 2.376) 13.549 21.647 ( 1.151 -14.886 -2.588) 15.153 ======================= Grid point 354 (103/147) ======================= q-point: ( 0.31 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 15.355 -10.127 15.188) 23.854 2.645 ( 14.712 -1.302 0.880) 14.795 2.729 ( 16.236 -11.204 -4.992) 20.349 2.952 ( 16.159 -6.099 -14.724) 22.696 3.917 ( 13.474 -0.791 13.090) 18.802 4.018 ( 11.505 -1.788 2.535) 11.916 4.334 ( 3.879 -0.961 18.477) 18.904 4.506 ( 9.300 -11.013 8.992) 16.989 4.590 ( 5.909 -7.509 2.591) 9.900 4.650 ( 3.103 0.809 -1.690) 3.625 4.827 ( 1.300 5.569 -7.839) 9.704 4.930 ( 8.654 -4.596 -15.105) 18.004 5.544 ( 14.870 -3.000 -3.368) 15.539 5.707 ( 14.555 8.142 -16.053) 23.148 6.202 ( 17.026 16.773 1.817) 23.969 6.283 ( 16.796 14.973 -7.315) 23.660 7.267 ( 18.855 -7.987 6.978) 21.633 7.354 ( 17.431 -4.882 -1.757) 18.187 7.645 ( 15.081 -2.031 8.328) 17.346 7.760 ( 15.193 -0.786 -1.397) 15.277 8.132 ( 15.736 2.023 9.282) 18.381 8.350 ( 14.621 3.917 -11.776) 19.177 8.729 ( 13.617 -1.690 1.074) 13.764 8.747 ( 13.545 -2.974 -0.385) 13.873 9.141 ( -9.170 1.747 9.523) 13.336 9.343 ( -9.151 0.057 -11.732) 14.879 9.941 ( -2.924 1.182 10.775) 11.227 10.110 ( -9.777 0.096 -6.456) 11.717 10.612 ( -17.395 -5.498 10.350) 20.975 10.753 ( -16.780 -6.060 -4.459) 18.389 11.318 ( -9.598 4.824 -1.244) 10.813 11.353 ( -9.625 6.003 -4.814) 12.323 11.837 ( -17.421 -9.124 7.664) 21.107 11.978 ( -17.414 -12.453 -7.334) 22.630 13.624 ( -14.762 -3.755 5.263) 16.115 13.713 ( -16.548 -5.288 -4.073) 17.843 14.065 ( -4.789 2.446 2.814) 6.069 14.110 ( -4.842 0.792 -1.803) 5.227 16.345 ( 12.116 16.419 5.719) 21.191 16.465 ( 10.127 14.333 -6.911) 18.862 16.840 ( 11.438 2.371 4.493) 12.515 16.924 ( 11.727 0.867 -4.307) 12.523 18.179 ( 14.308 -4.213 5.688) 15.963 18.309 ( 13.503 -3.753 -8.299) 16.288 19.570 ( -3.482 9.227 18.510) 20.974 19.905 ( -4.958 7.858 -16.750) 19.154 21.720 ( 2.293 -9.820 2.576) 10.408 21.762 ( 1.869 -10.076 -1.928) 10.427 ======================= Grid point 355 (104/147) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 11.241 -4.573 12.413) 17.360 2.883 ( 9.750 -0.094 -2.404) 10.043 3.067 ( 11.767 -8.264 -0.543) 14.389 3.235 ( 10.206 -2.763 -12.068) 16.045 4.125 ( 8.934 0.931 9.302) 12.931 4.193 ( 5.376 1.086 5.482) 7.754 4.410 ( 3.828 -4.180 11.786) 13.078 4.616 ( 0.087 -6.123 7.342) 9.560 4.663 ( 0.746 4.386 -5.538) 7.104 4.725 ( 1.322 -0.617 -3.322) 3.629 4.992 ( 10.471 -14.072 3.746) 17.936 5.131 ( 6.975 -9.591 -7.542) 14.054 5.773 ( 8.611 0.079 -5.708) 10.331 5.877 ( 8.756 6.408 -14.323) 17.969 6.344 ( 9.922 15.835 1.258) 18.729 6.426 ( 8.878 13.092 -7.960) 17.709 7.621 ( 12.618 -6.003 4.976) 14.833 7.654 ( 11.004 -2.291 2.298) 11.473 7.926 ( 13.988 -1.133 6.801) 15.594 8.022 ( 13.392 0.807 -0.077) 13.416 8.365 ( 9.325 7.344 6.099) 13.345 8.559 ( 10.107 7.233 -10.637) 16.359 8.939 ( 1.794 -8.753 7.391) 11.595 9.048 ( 11.789 -6.871 -3.569) 14.104 9.127 ( 11.098 2.038 5.092) 12.379 9.258 ( 2.919 -0.448 -8.628) 9.119 9.974 ( 1.998 -0.014 3.509) 4.038 10.016 ( -1.645 -0.723 0.150) 1.803 10.337 ( -10.894 -0.227 5.745) 12.318 10.443 ( -17.738 -1.865 -4.686) 18.441 11.081 ( -11.554 1.845 0.456) 11.709 11.137 ( -10.153 2.520 -4.988) 11.589 11.618 ( -11.013 -6.068 9.596) 15.817 11.768 ( -11.935 -7.370 -6.130) 15.308 13.383 ( -12.395 -3.100 3.969) 13.379 13.445 ( -14.560 -4.926 -2.494) 15.572 13.979 ( -2.792 1.557 1.694) 3.618 14.026 ( -3.140 0.902 -3.204) 4.576 16.436 ( 7.376 10.435 4.750) 13.633 16.538 ( 6.079 8.940 -5.963) 12.346 16.994 ( 6.533 2.108 5.579) 8.845 17.090 ( 6.655 1.175 -4.631) 8.192 18.434 ( 9.632 -3.582 4.624) 11.269 18.541 ( 8.447 -2.654 -6.908) 11.230 19.465 ( -2.596 4.694 16.806) 17.642 19.775 ( -3.839 5.180 -15.952) 17.206 21.816 ( 1.942 -6.144 2.481) 6.905 21.853 ( 1.742 -5.868 -1.386) 6.276 ======================= Grid point 356 (105/147) ======================= q-point: ( 0.46 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 4.079 -1.244 10.683) 11.503 3.007 ( 3.309 0.140 -2.024) 3.882 3.270 ( 4.753 -3.596 -1.748) 6.211 3.371 ( 3.239 -0.118 -8.412) 9.015 4.226 ( 1.277 1.703 11.126) 11.328 4.242 ( 2.778 -0.037 8.800) 9.228 4.518 ( 2.911 -5.572 0.559) 6.312 4.593 ( -1.317 4.739 -4.394) 6.596 4.682 ( 0.533 -2.493 2.862) 3.833 4.737 ( 0.324 0.526 -0.066) 0.621 5.185 ( 2.895 -3.854 8.198) 9.510 5.321 ( 3.804 -9.395 -6.554) 12.070 5.888 ( 3.636 -0.140 -6.648) 7.578 5.951 ( 2.563 2.865 -12.771) 13.337 6.376 ( 2.772 7.121 0.562) 7.663 6.459 ( 2.448 6.221 -8.509) 10.821 7.799 ( 3.925 -0.297 4.728) 6.152 7.810 ( 3.720 -2.320 2.768) 5.185 8.153 ( 7.507 -0.531 8.454) 11.318 8.249 ( 8.883 -2.500 2.098) 9.464 8.374 ( -1.255 6.742 4.053) 7.967 8.608 ( 0.801 4.645 -13.711) 14.499 9.055 ( 3.874 -5.716 11.029) 13.012 9.229 ( 3.713 -8.334 -5.991) 10.915 9.385 ( 13.202 5.566 0.928) 14.357 9.410 ( 9.611 0.205 -1.232) 9.691 9.811 ( -10.709 -1.844 5.103) 12.006 9.911 ( -15.814 0.340 -5.675) 16.805 10.280 ( 3.578 -0.543 1.801) 4.042 10.311 ( 2.678 2.492 -1.501) 3.954 10.900 ( -5.977 -0.141 0.852) 6.039 10.959 ( -6.066 0.250 -5.084) 7.919 11.506 ( -3.676 -1.900 9.669) 10.517 11.638 ( -4.773 -2.308 -4.157) 6.737 13.228 ( -4.895 -1.038 2.801) 5.734 13.267 ( -6.007 -2.193 -1.210) 6.509 13.938 ( -0.906 0.495 1.057) 1.477 13.983 ( -1.019 0.365 -3.676) 3.832 16.480 ( 2.433 3.544 4.248) 6.043 16.573 ( 2.030 3.001 -5.604) 6.673 17.064 ( 2.090 0.823 6.066) 6.469 17.166 ( 2.110 0.507 -4.754) 5.226 18.583 ( 3.787 -1.682 3.163) 5.213 18.658 ( 2.676 -0.769 -4.991) 5.715 19.409 ( -1.018 1.362 15.175) 15.270 19.696 ( -1.614 1.918 -15.103) 15.310 21.872 ( 0.764 -2.110 2.367) 3.262 21.904 ( 0.711 -1.936 -1.085) 2.331 ======================= Grid point 364 (106/147) ======================= q-point: ( 0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 12.881 0.000 28.150) 30.957 1.735 ( 22.157 0.000 10.953) 24.716 2.071 ( 10.381 0.000 -25.790) 27.801 2.103 ( 18.120 0.000 -15.183) 23.640 3.038 ( 25.047 0.000 40.049) 47.237 3.570 ( 11.459 0.000 -6.900) 13.376 3.835 ( 13.152 0.000 10.579) 16.879 4.046 ( 17.409 0.000 -18.206) 25.190 4.275 ( 10.145 0.000 4.209) 10.984 4.468 ( 7.159 0.000 -16.496) 17.983 4.610 ( 16.441 0.000 28.187) 32.632 4.863 ( -0.968 -0.000 6.218) 6.292 5.115 ( -1.594 -0.000 -14.777) 14.862 5.166 ( 12.794 0.000 -27.969) 30.756 5.645 ( 25.358 0.000 -0.998) 25.377 5.669 ( 22.829 0.000 -3.645) 23.118 6.326 ( 15.772 0.000 15.028) 21.786 6.586 ( 15.135 0.000 -12.774) 19.805 6.836 ( 18.986 0.000 13.999) 23.589 7.025 ( 16.149 0.000 -6.335) 17.347 7.854 ( 0.410 0.000 12.890) 12.896 8.052 ( 0.589 0.000 -8.091) 8.112 8.498 ( -2.155 -0.000 4.278) 4.790 8.571 ( -5.895 -0.000 -3.541) 6.877 9.712 ( -12.943 -0.000 5.721) 14.151 9.858 ( -11.700 -0.000 -10.024) 15.407 10.604 ( -30.885 -0.000 29.292) 42.567 10.875 ( -21.267 -0.000 1.790) 21.343 11.035 ( -14.201 -0.000 3.504) 14.627 11.114 ( -10.505 -0.000 -3.419) 11.048 11.769 ( -11.412 -0.000 -6.522) 13.145 11.823 ( -13.881 -0.000 -13.073) 19.068 12.429 ( -19.763 -0.000 2.144) 19.879 12.476 ( -22.015 -0.000 -2.574) 22.165 14.069 ( -10.466 -0.000 5.857) 11.994 14.168 ( -9.768 -0.000 -4.452) 10.735 14.185 ( 6.005 0.000 10.900) 12.444 14.309 ( -3.188 -0.000 -1.373) 3.471 16.111 ( 20.442 0.000 -0.608) 20.451 16.154 ( 22.217 0.000 -5.477) 22.883 16.348 ( 13.798 0.000 3.892) 14.336 16.424 ( 10.903 0.000 -3.910) 11.583 17.415 ( 20.749 0.000 2.209) 20.867 17.513 ( 25.757 0.000 -9.645) 27.503 20.143 ( -11.326 -0.000 11.829) 16.377 20.347 ( -8.130 -0.000 -10.164) 13.016 21.299 ( 4.498 0.000 5.220) 6.890 21.384 ( 4.292 0.000 -3.819) 5.745 ======================= Grid point 365 (107/147) ======================= q-point: ( 0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 20.318 -7.614 23.474) 31.966 2.171 ( 21.694 -4.255 4.031) 22.472 2.334 ( 16.259 -0.843 -17.003) 23.541 2.480 ( 19.722 -3.273 -13.409) 24.072 3.499 ( 21.460 -3.216 26.695) 34.402 3.799 ( 12.180 0.558 0.352) 12.197 4.071 ( 11.239 -1.890 16.117) 19.739 4.306 ( 9.810 1.054 -5.803) 11.447 4.413 ( 5.407 -1.064 2.413) 6.016 4.551 ( 1.721 -2.839 -11.960) 12.412 4.839 ( 6.139 7.393 -0.639) 9.631 4.936 ( 3.349 -1.302 0.906) 3.705 5.156 ( 13.831 -0.416 -3.705) 14.325 5.486 ( 18.752 0.646 -24.754) 31.061 6.102 ( 23.678 7.991 1.848) 25.058 6.133 ( 26.124 5.921 -1.736) 26.843 6.711 ( 22.016 -5.273 9.906) 24.711 6.898 ( 16.171 -4.033 -9.524) 19.196 7.244 ( 22.140 -1.445 10.170) 24.407 7.377 ( 19.497 -1.194 -3.938) 19.926 7.919 ( 7.306 0.043 13.490) 15.342 8.140 ( 8.928 -0.080 -10.154) 13.521 8.528 ( 4.890 0.479 0.679) 4.960 8.540 ( 4.366 -1.109 -0.720) 4.562 9.438 ( -14.481 2.007 6.824) 16.133 9.601 ( -13.902 1.780 -10.667) 17.613 10.148 ( -16.882 0.824 21.651) 27.467 10.426 ( -21.956 0.612 -6.810) 22.996 10.797 ( -13.499 -3.087 7.719) 15.854 10.910 ( -12.587 -3.518 -3.881) 13.634 11.574 ( -8.352 2.653 -1.658) 8.919 11.639 ( -6.656 3.478 -8.642) 11.450 12.051 ( -21.122 -3.546 1.804) 21.493 12.096 ( -20.400 -6.671 -3.058) 21.680 13.842 ( -13.675 -1.053 5.167) 14.656 13.937 ( -14.532 -1.367 -4.703) 15.335 14.202 ( -2.829 0.280 3.698) 4.664 14.212 ( -5.830 0.853 2.624) 6.449 16.398 ( 12.769 7.559 4.435) 15.487 16.509 ( 13.736 6.651 -7.086) 16.826 16.613 ( 13.786 0.798 2.049) 13.961 16.655 ( 15.992 -1.135 -2.300) 16.196 17.802 ( 19.086 -1.268 5.676) 19.952 17.944 ( 19.340 -1.347 -9.560) 21.615 19.908 ( -9.165 8.648 14.488) 19.201 20.174 ( -8.124 4.163 -13.672) 16.440 21.429 ( 5.007 -8.488 4.379) 10.784 21.500 ( 5.208 -5.733 -3.108) 8.346 ======================= Grid point 366 (108/147) ======================= q-point: ( 0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 21.600 -5.897 18.454) 29.015 2.594 ( 18.344 -6.727 7.120) 20.795 2.656 ( 17.094 1.549 -14.542) 22.496 2.867 ( 17.246 -5.704 -13.940) 22.897 3.874 ( 15.148 -4.469 15.921) 22.426 4.011 ( 10.649 0.784 3.999) 11.402 4.287 ( 7.794 -5.381 18.663) 20.929 4.420 ( 3.905 -1.035 6.045) 7.270 4.508 ( 3.730 -3.176 -0.685) 4.947 4.607 ( 1.269 -5.789 -6.160) 8.548 4.894 ( -1.806 3.679 -6.727) 7.876 4.935 ( 6.788 2.816 -17.299) 18.795 5.510 ( 17.200 -1.718 5.375) 18.103 5.798 ( 14.981 4.762 -20.150) 25.556 6.418 ( 17.644 13.183 3.520) 22.305 6.491 ( 17.916 13.376 -4.184) 22.747 7.159 ( 19.558 -6.724 6.291) 21.617 7.260 ( 17.035 -8.169 -4.303) 19.376 7.629 ( 17.204 -0.060 7.719) 18.856 7.736 ( 16.236 -2.343 -2.975) 16.672 8.145 ( 15.927 0.061 12.054) 19.974 8.361 ( 12.872 -1.088 -10.134) 16.419 8.704 ( 13.988 -1.188 2.254) 14.219 8.747 ( 14.746 1.332 -2.483) 15.013 9.170 ( -10.957 1.957 7.270) 13.294 9.339 ( -12.586 -0.488 -10.753) 16.561 9.956 ( -2.833 0.820 12.075) 12.430 10.112 ( -10.332 0.100 -3.830) 11.020 10.554 ( -14.053 -2.779 8.092) 16.452 10.683 ( -14.234 -3.763 -5.234) 15.626 11.390 ( -9.493 5.331 1.386) 10.976 11.450 ( -10.345 7.657 -4.761) 13.723 11.716 ( -17.226 -8.027 4.149) 19.452 11.811 ( -15.334 -11.030 -5.860) 19.777 13.580 ( -14.727 -2.396 3.791) 15.395 13.653 ( -16.527 -3.122 -3.793) 17.242 14.095 ( -5.128 1.695 2.645) 6.013 14.122 ( -4.529 0.764 -0.039) 4.593 16.522 ( 7.003 8.847 4.591) 12.181 16.615 ( 5.255 7.180 -4.968) 10.191 16.869 ( 11.769 1.664 3.042) 12.269 16.937 ( 12.569 0.807 -3.846) 13.169 18.141 ( 15.548 -1.412 5.979) 16.718 18.274 ( 14.705 -1.475 -8.131) 16.868 19.696 ( -6.979 8.003 15.883) 19.106 19.996 ( -7.169 4.923 -15.680) 17.930 21.584 ( 4.794 -8.676 3.816) 10.622 21.643 ( 5.100 -6.568 -2.469) 8.674 ======================= Grid point 367 (109/147) ======================= q-point: ( 0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( 16.626 0.180 14.256) 21.902 2.908 ( 12.054 2.248 5.103) 13.281 2.962 ( 14.094 -5.386 -7.582) 16.885 3.187 ( 12.318 -4.311 -14.307) 19.365 4.131 ( 9.628 -1.466 10.136) 14.056 4.184 ( 6.893 -1.155 5.337) 8.794 4.370 ( 0.781 -0.944 16.061) 16.108 4.515 ( 1.672 -7.537 9.832) 12.500 4.640 ( 3.533 -9.007 -9.669) 13.678 4.675 ( 1.485 -5.420 -4.029) 6.914 4.861 ( 2.547 -1.344 1.080) 3.075 5.059 ( 5.764 -1.628 -14.535) 15.721 5.770 ( 9.396 -0.386 1.509) 9.524 5.971 ( 7.539 6.186 -16.556) 19.215 6.585 ( 10.428 16.350 1.692) 19.467 6.638 ( 9.224 16.856 -4.282) 19.687 7.525 ( 13.473 -7.226 6.000) 16.424 7.598 ( 12.194 -6.099 -1.338) 13.699 7.915 ( 13.730 0.006 6.790) 15.317 8.016 ( 12.154 -1.632 -2.041) 12.432 8.442 ( 13.212 3.591 7.592) 15.655 8.610 ( 11.409 0.371 -7.564) 13.694 8.845 ( -4.572 -4.232 6.180) 8.775 8.963 ( 3.986 -4.963 -5.067) 8.136 9.157 ( 10.635 1.946 2.643) 11.130 9.249 ( 9.603 -0.686 -6.606) 11.676 9.977 ( -2.632 0.332 4.779) 5.467 10.009 ( 1.318 -0.269 2.275) 2.643 10.344 ( -6.567 1.002 3.523) 7.520 10.422 ( -14.175 -1.119 -4.319) 14.860 11.119 ( -13.541 3.527 1.675) 14.092 11.186 ( -12.135 4.201 -5.120) 13.824 11.528 ( -8.520 -6.692 8.101) 13.528 11.659 ( -8.705 -7.946 -5.367) 12.950 13.343 ( -11.373 -2.569 2.043) 11.837 13.383 ( -13.591 -3.858 -2.108) 14.284 14.003 ( -3.275 1.689 1.849) 4.123 14.040 ( -3.296 0.914 -1.941) 3.933 16.554 ( 2.142 6.394 3.905) 7.793 16.636 ( 1.540 5.168 -4.664) 7.129 17.022 ( 5.853 1.824 4.805) 7.789 17.110 ( 6.685 1.482 -4.418) 8.149 18.405 ( 11.358 -0.788 5.116) 12.482 18.519 ( 10.302 -0.650 -7.127) 12.543 19.536 ( -5.008 5.291 16.049) 17.625 19.840 ( -5.880 3.997 -15.995) 17.504 21.723 ( 4.159 -6.765 3.456) 8.660 21.775 ( 4.360 -5.100 -1.995) 7.000 ======================= Grid point 368 (110/147) ======================= q-point: ( 0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( 8.021 4.154 11.084) 14.299 3.044 ( 5.134 4.992 -1.146) 7.252 3.212 ( 7.864 -4.619 -0.097) 9.120 3.373 ( 5.356 -0.014 -11.534) 12.717 4.242 ( -0.487 0.597 11.912) 11.937 4.255 ( 3.511 1.552 7.060) 8.036 4.425 ( 1.830 -7.116 8.615) 11.322 4.580 ( 0.245 -5.267 3.033) 6.082 4.671 ( -1.296 -0.316 -9.132) 9.229 4.727 ( 1.265 -3.133 -3.465) 4.840 5.041 ( 5.702 -15.783 4.524) 17.380 5.167 ( 2.703 -6.712 -5.510) 9.095 5.889 ( 3.380 -0.546 -3.529) 4.917 6.019 ( 2.254 5.515 -14.945) 16.089 6.577 ( 1.587 18.944 0.827) 19.028 6.622 ( 1.414 15.798 -4.728) 16.551 7.747 ( 4.929 -6.095 4.855) 9.221 7.781 ( 3.908 -2.737 1.993) 5.171 8.138 ( 7.660 -1.642 5.825) 9.763 8.210 ( 6.084 -2.734 0.932) 6.735 8.459 ( -5.370 5.490 5.178) 9.263 8.651 ( -5.514 1.582 -11.476) 12.830 8.944 ( 7.302 -8.990 8.575) 14.411 9.073 ( 5.649 -12.332 -4.593) 14.321 9.427 ( 14.476 2.766 2.277) 14.913 9.487 ( 12.442 5.955 -3.104) 14.139 9.798 ( -9.391 -0.061 6.711) 11.543 9.922 ( -14.553 1.166 -6.623) 16.032 10.281 ( 2.212 0.640 4.169) 4.763 10.348 ( 2.447 2.729 -2.707) 4.557 10.912 ( -5.340 1.832 1.394) 5.815 10.978 ( -5.909 2.072 -5.361) 8.243 11.467 ( -1.668 -3.452 8.789) 9.589 11.587 ( -2.828 -4.877 -3.592) 6.684 13.207 ( -4.083 -1.814 1.831) 4.829 13.237 ( -3.119 -2.053 -1.159) 3.910 13.950 ( -1.267 1.208 1.137) 2.087 13.990 ( -1.371 0.617 -3.038) 3.390 16.519 ( -2.724 1.995 3.933) 5.184 16.604 ( -2.381 1.549 -5.154) 5.885 17.075 ( 0.955 0.752 6.019) 6.141 17.178 ( 1.711 1.123 -4.858) 5.272 18.575 ( 6.222 0.443 3.848) 7.330 18.664 ( 5.013 1.300 -5.782) 7.762 19.436 ( -2.740 2.440 15.222) 15.659 19.725 ( -3.865 2.089 -15.290) 15.908 21.829 ( 2.961 -3.850 3.050) 5.736 21.872 ( 3.053 -2.539 -1.594) 4.279 ======================= Grid point 369 (111/147) ======================= q-point: (-0.54 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( -0.280 6.593 9.474) 11.546 3.041 ( -1.673 4.922 -1.469) 5.402 3.300 ( -0.552 0.465 -1.659) 1.809 3.389 ( -2.225 2.718 -7.821) 8.573 4.204 ( -3.174 -1.441 13.133) 13.588 4.252 ( -2.654 1.501 7.690) 8.272 4.495 ( -0.151 -8.183 1.932) 8.409 4.568 ( -3.343 0.460 -6.151) 7.016 4.670 ( -0.226 -2.674 2.073) 3.391 4.753 ( 0.584 0.944 -1.065) 1.538 5.166 ( -1.137 -6.372 6.604) 9.247 5.271 ( -0.326 -13.461 -4.675) 14.254 5.907 ( -2.156 0.260 -6.621) 6.968 5.980 ( -2.590 6.032 -12.813) 14.397 6.410 ( -6.287 12.537 1.377) 14.093 6.492 ( -4.892 10.490 -7.935) 14.033 7.787 ( -3.845 -2.456 4.426) 6.357 7.808 ( -2.531 -2.321 3.021) 4.574 8.156 ( -7.073 -0.015 7.925) 10.623 8.265 ( -9.483 -1.928 10.778) 14.485 8.283 ( -4.893 -4.522 -5.296) 8.511 8.523 ( -8.161 -7.457 -13.395) 17.367 9.074 ( 0.761 -2.561 10.353) 10.692 9.214 ( -0.168 -8.151 -3.407) 8.836 9.388 ( -10.136 5.824 4.777) 12.628 9.479 ( -11.940 7.859 -5.009) 15.146 9.846 ( 12.909 2.855 2.904) 13.536 9.913 ( 16.701 0.607 -4.429) 17.289 10.282 ( -2.865 -1.666 0.299) 3.328 10.295 ( -4.556 1.572 -0.855) 4.895 10.914 ( 6.255 1.860 1.138) 6.624 10.975 ( 6.377 2.323 -4.784) 8.304 11.517 ( 5.744 -0.313 9.290) 10.926 11.647 ( 7.072 -1.068 -4.362) 8.378 13.235 ( 6.364 0.078 4.014) 7.525 13.294 ( 8.555 1.547 -1.974) 8.915 13.938 ( 0.573 0.512 0.790) 1.102 13.981 ( 0.669 0.045 -3.711) 3.771 16.425 ( -7.927 -4.164 4.526) 10.033 16.524 ( -6.932 -3.854 -6.009) 9.950 17.054 ( -3.088 -0.615 6.653) 7.361 17.165 ( -2.465 0.341 -5.158) 5.727 18.618 ( -0.822 3.121 2.987) 4.397 18.689 ( -0.577 3.428 -4.662) 5.816 19.398 ( -0.552 -0.223 14.520) 14.532 19.675 ( -0.919 -1.134 -14.623) 14.695 21.885 ( 1.449 -0.152 2.655) 3.028 21.922 ( 1.551 0.632 -1.356) 2.155 ======================= Grid point 370 (112/147) ======================= q-point: (-0.46 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( -6.817 9.336 9.639) 15.051 2.917 ( -7.828 4.686 -1.342) 9.222 3.179 ( -8.622 7.632 -2.403) 11.763 3.271 ( -8.294 2.820 -8.499) 12.206 4.115 ( -8.574 -0.722 9.976) 13.174 4.166 ( -5.364 -1.973 9.182) 10.815 4.458 ( -6.268 2.018 0.147) 6.586 4.548 ( -1.095 -9.338 -2.868) 9.829 4.670 ( -1.928 -2.322 5.411) 6.196 4.736 ( -0.798 3.401 1.792) 3.926 5.106 ( -7.545 1.553 7.238) 10.570 5.253 ( -7.009 1.058 -8.931) 11.402 5.781 ( -9.169 2.504 -5.538) 11.001 5.841 ( -8.520 3.214 -12.168) 15.198 6.210 ( -11.125 -2.411 0.407) 11.390 6.317 ( -9.763 -0.493 -10.658) 14.462 7.662 ( -10.553 -0.518 5.380) 11.857 7.684 ( -10.962 2.187 3.105) 11.601 7.936 ( -13.807 0.191 5.558) 14.885 7.994 ( -16.139 -3.024 2.267) 16.576 8.246 ( -7.829 -9.664 3.359) 12.883 8.417 ( -11.859 -12.733 -10.603) 20.376 9.062 ( -0.326 6.329 7.671) 9.950 9.080 ( -16.191 -0.631 5.228) 17.026 9.168 ( -13.106 7.349 -1.482) 15.098 9.262 ( 1.242 0.647 -7.928) 8.050 9.977 ( -5.666 0.295 1.996) 6.015 10.027 ( 2.053 0.815 -2.698) 3.487 10.352 ( 15.817 1.955 7.424) 17.582 10.474 ( 21.201 2.603 -4.747) 21.881 11.067 ( 9.539 -0.220 -0.022) 9.542 11.122 ( 8.958 0.406 -5.061) 10.297 11.691 ( 13.814 4.307 10.357) 17.795 11.852 ( 15.272 4.496 -6.761) 17.296 13.423 ( 13.581 2.565 6.175) 15.138 13.513 ( 15.969 4.699 -3.156) 16.943 13.964 ( 2.286 -0.494 1.269) 2.661 14.017 ( 3.154 -0.407 -4.207) 5.274 16.278 ( -13.488 -11.919 5.529) 18.830 16.396 ( -11.919 -11.017 -7.073) 17.705 16.967 ( -7.011 -1.693 6.712) 9.852 17.080 ( -6.612 -0.316 -5.271) 8.462 18.502 ( -7.693 5.978 4.000) 10.532 18.595 ( -6.418 5.005 -5.998) 10.110 19.411 ( 0.502 -3.107 15.833) 16.142 19.704 ( 1.460 -4.998 -15.031) 15.907 21.886 ( 0.153 3.903 2.539) 4.659 21.925 ( 0.691 4.264 -1.594) 4.604 ======================= Grid point 371 (113/147) ======================= q-point: (-0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( -10.396 12.919 10.822) 19.802 2.687 ( -12.736 4.835 0.735) 13.642 2.897 ( -13.259 12.590 -3.648) 18.645 3.031 ( -13.930 5.355 -11.912) 19.095 3.913 ( -12.582 -0.578 11.461) 17.029 4.030 ( -10.872 -0.592 1.365) 10.974 4.334 ( -5.680 -1.026 14.238) 15.363 4.569 ( -5.242 -8.434 4.579) 10.935 4.623 ( -4.528 -1.854 5.010) 7.003 4.665 ( -4.695 5.431 -1.594) 7.354 4.844 ( -13.163 9.396 4.564) 16.804 5.046 ( -8.786 9.300 -14.595) 19.408 5.578 ( -12.525 -2.898 -8.367) 15.339 5.604 ( -15.477 -0.352 -10.967) 18.972 6.002 ( -15.782 -10.402 0.419) 18.906 6.112 ( -15.811 -8.356 -11.121) 21.059 7.364 ( -18.471 5.484 5.699) 20.093 7.394 ( -17.748 1.068 3.468) 18.115 7.672 ( -13.397 1.233 5.639) 14.588 7.752 ( -12.502 -1.800 0.904) 12.663 8.083 ( -14.409 -5.283 4.370) 15.957 8.243 ( -15.002 -11.150 -9.548) 20.989 8.756 ( -14.065 2.202 3.575) 14.678 8.817 ( -13.430 5.975 -2.993) 15.001 9.135 ( 6.341 1.410 10.140) 12.043 9.336 ( 5.747 -0.956 -10.779) 12.253 9.925 ( 2.953 -1.015 10.057) 10.531 10.109 ( 9.416 -0.015 -8.808) 12.893 10.699 ( 21.020 6.629 11.285) 24.761 10.843 ( 19.684 6.817 -3.712) 21.159 11.258 ( 8.664 -3.810 -2.786) 9.867 11.293 ( 8.599 -2.665 -5.632) 10.619 11.962 ( 19.195 8.966 10.513) 23.651 12.142 ( 20.399 10.842 -8.602) 24.650 13.677 ( 14.554 3.636 7.403) 16.729 13.792 ( 16.201 5.805 -4.730) 17.848 14.036 ( 4.777 -1.477 3.055) 5.860 14.105 ( 5.899 0.234 -4.103) 7.189 16.086 ( -18.184 -20.207 6.855) 28.035 16.232 ( -16.177 -18.867 -8.484) 26.261 16.807 ( -11.490 -2.318 6.179) 13.250 16.915 ( -11.240 -0.487 -5.194) 12.391 18.257 ( -13.187 6.964 5.280) 15.820 18.379 ( -12.168 6.158 -7.763) 15.692 19.456 ( 0.611 -7.039 18.720) 20.009 19.789 ( 2.527 -8.505 -16.407) 18.652 21.842 ( -0.345 7.795 2.994) 8.358 21.897 ( 1.152 8.584 -2.712) 9.076 ======================= Grid point 372 (114/147) ======================= q-point: (-0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -11.936 16.276 12.820) 23.911 2.371 ( -16.562 6.919 9.750) 20.426 2.525 ( -15.205 14.731 -11.454) 24.070 2.690 ( -15.474 9.942 -16.171) 24.490 3.644 ( -16.037 2.529 17.151) 23.617 3.785 ( -13.592 0.696 1.812) 13.730 4.228 ( -8.975 2.245 17.097) 19.440 4.308 ( -15.527 7.836 7.899) 19.101 4.459 ( -14.106 -4.807 3.739) 15.365 4.542 ( -5.920 1.004 0.359) 6.015 4.704 ( -5.573 -9.911 -5.093) 12.459 4.836 ( -6.928 7.422 -16.627) 19.482 5.260 ( -18.541 2.546 -6.277) 19.739 5.360 ( -14.008 -8.126 -12.763) 20.619 5.758 ( -18.045 -11.208 -1.038) 21.268 5.825 ( -20.291 -9.507 -9.697) 24.416 6.944 ( -20.204 7.799 8.458) 23.250 7.035 ( -17.622 2.949 0.013) 17.867 7.357 ( -18.716 5.296 5.682) 20.264 7.446 ( -19.815 2.982 -1.616) 20.103 7.887 ( -6.854 -3.162 8.835) 11.621 8.057 ( -9.396 -7.738 -8.220) 14.688 8.577 ( -3.119 1.551 0.432) 3.510 8.597 ( -5.449 5.378 -1.805) 7.866 9.311 ( 10.477 -5.397 9.034) 14.850 9.487 ( 8.154 -5.382 -8.812) 13.157 10.110 ( 14.524 -1.153 15.981) 21.625 10.397 ( 19.781 -0.689 -12.608) 23.467 11.015 ( 18.238 10.548 10.838) 23.693 11.110 ( 14.632 8.566 0.287) 16.957 11.439 ( 7.643 -5.180 -4.470) 10.258 11.508 ( 11.827 -3.680 -9.228) 15.446 12.274 ( 20.566 10.875 9.637) 25.182 12.449 ( 20.948 15.229 -9.057) 27.436 13.898 ( 10.447 1.868 6.967) 12.695 14.008 ( 8.446 1.293 -4.259) 9.547 14.173 ( 9.164 0.888 3.051) 9.699 14.217 ( 5.989 2.098 -1.026) 6.428 15.894 ( -17.829 -25.475 7.055) 31.885 16.057 ( -17.478 -23.614 -9.938) 31.014 16.560 ( -16.492 -2.875 5.527) 17.629 16.661 ( -15.622 -0.436 -5.051) 16.424 17.913 ( -18.148 6.541 6.002) 20.203 18.054 ( -17.474 6.389 -9.331) 20.815 19.534 ( 0.714 -12.264 22.363) 25.515 19.914 ( 3.272 -11.745 -17.831) 21.601 21.772 ( 0.076 11.549 3.966) 12.211 21.857 ( 2.937 13.848 -4.969) 15.002 ======================= Grid point 373 (115/147) ======================= q-point: (-0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -17.660 11.664 15.023) 25.954 1.981 ( -12.290 21.588 18.819) 31.165 2.148 ( -16.419 6.461 -17.180) 24.627 2.362 ( -8.732 15.959 -21.827) 28.414 3.240 ( -20.435 12.645 32.395) 40.334 3.547 ( -11.474 -1.641 2.158) 11.790 3.888 ( -16.310 4.865 2.566) 17.213 4.049 ( -15.638 3.521 -11.864) 19.942 4.279 ( -10.451 -14.034 17.414) 24.686 4.354 ( -11.672 4.733 6.318) 14.090 4.578 ( -15.205 -3.781 -10.859) 19.063 4.722 ( -4.746 -10.065 -18.695) 21.756 4.970 ( -8.155 -0.055 4.796) 9.461 5.196 ( -8.667 -6.290 -11.321) 15.584 5.446 ( -20.868 -9.594 -1.040) 22.992 5.555 ( -12.695 -3.808 -13.207) 18.710 6.521 ( -17.071 9.932 11.694) 22.952 6.698 ( -14.763 5.777 -5.740) 16.860 6.940 ( -18.505 6.654 8.564) 21.449 7.061 ( -16.627 2.325 -2.199) 16.933 7.849 ( 0.011 -1.295 9.367) 9.457 8.009 ( -1.076 -4.797 -7.154) 8.681 8.532 ( 1.765 3.775 4.070) 5.825 8.600 ( 5.606 1.359 -3.265) 6.628 9.579 ( 11.706 -8.490 6.380) 15.806 9.712 ( 9.724 -8.939 -6.644) 14.785 10.450 ( 18.767 -4.846 23.058) 30.123 10.815 ( 21.319 -2.992 -13.184) 25.244 11.233 ( 12.299 9.099 8.254) 17.384 11.318 ( 15.178 10.624 3.181) 18.798 11.640 ( 10.239 -5.875 -4.561) 12.655 11.786 ( 15.766 -1.672 -13.386) 20.750 12.582 ( 18.883 8.846 6.478) 21.835 12.707 ( 16.541 13.875 -6.771) 22.627 14.032 ( 2.603 -3.172 4.011) 5.738 14.049 ( -7.017 -4.762 2.996) 8.994 14.298 ( 5.571 1.776 3.953) 7.058 14.344 ( 9.755 4.549 -1.778) 10.909 15.793 ( -10.159 -20.121 2.566) 22.685 15.905 ( -13.744 -17.684 -9.068) 24.163 16.236 ( -19.271 -4.376 6.738) 20.879 16.359 ( -15.863 -2.540 -5.912) 17.118 17.489 ( -22.030 4.981 5.020) 23.137 17.626 ( -23.143 6.543 -10.267) 26.150 19.659 ( 1.262 -18.881 26.068) 32.212 20.074 ( 3.827 -14.757 -18.253) 23.782 21.687 ( 0.741 15.315 5.156) 16.176 21.817 ( 5.300 20.431 -8.811) 22.873 ======================= Grid point 374 (116/147) ======================= q-point: (-0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -17.312 5.712 21.734) 28.367 1.661 ( -3.333 27.445 21.350) 34.931 1.843 ( -11.507 3.076 -18.379) 21.901 2.138 ( -3.241 17.452 -25.221) 30.841 2.771 ( -15.808 16.686 46.874) 52.206 3.393 ( -5.406 -2.197 -1.769) 6.097 3.592 ( -12.301 0.637 -2.748) 12.620 3.704 ( -16.543 2.965 -26.829) 31.659 4.048 ( -12.908 1.256 9.752) 16.227 4.262 ( -4.325 -8.137 11.748) 14.931 4.323 ( -10.014 -4.098 -0.636) 10.839 4.755 ( -2.215 -17.473 -23.049) 29.008 4.921 ( 0.501 -0.770 11.035) 11.073 5.081 ( -8.335 -5.210 2.084) 10.048 5.183 ( -11.365 -5.574 -4.389) 13.398 5.396 ( -4.633 1.838 -21.265) 21.842 6.200 ( -9.319 8.333 13.394) 18.321 6.417 ( -9.487 6.312 -9.468) 14.815 6.623 ( -9.762 6.307 14.468) 18.558 6.815 ( -7.884 2.181 -5.146) 9.664 7.874 ( 1.471 -0.202 10.749) 10.851 8.053 ( 1.917 -3.437 -7.836) 8.769 8.589 ( 4.938 1.413 8.092) 9.585 8.722 ( 6.768 1.243 -6.610) 9.541 9.827 ( 7.593 -7.625 4.828) 11.794 9.941 ( 6.788 -8.686 -6.809) 12.957 10.868 ( 16.013 -13.712 24.021) 31.961 11.166 ( 11.406 -3.951 -8.027) 14.496 11.383 ( 8.316 4.224 9.303) 13.173 11.558 ( 18.708 11.211 -1.191) 21.842 11.945 ( 19.496 -7.758 2.049) 21.083 12.167 ( 23.879 -4.559 -14.314) 28.211 12.809 ( 5.456 2.036 1.809) 6.098 12.867 ( 4.546 0.043 -3.773) 5.908 13.837 ( -16.122 -7.464 13.454) 22.285 14.025 ( -7.285 -7.321 -5.807) 11.849 14.398 ( 7.004 5.510 4.796) 10.121 14.478 ( 8.460 7.478 -3.946) 11.960 15.617 ( -19.514 -3.925 5.432) 20.632 15.749 ( -11.682 -2.788 -8.969) 14.990 16.044 ( -2.701 -6.376 4.753) 8.399 16.179 ( -3.935 -3.179 -8.465) 9.861 17.035 ( -22.868 2.497 2.135) 23.103 17.120 ( -22.127 5.616 -6.701) 23.792 19.847 ( 1.767 -27.137 27.724) 38.835 20.254 ( 3.152 -17.196 -16.647) 24.140 21.584 ( 0.655 18.608 5.573) 19.436 21.758 ( 5.479 28.660 -13.971) 32.351 ======================= Grid point 375 (117/147) ======================= q-point: (-0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 0.000 2.817 28.857) 28.994 1.464 ( 0.000 23.422 28.344) 36.769 1.706 ( 0.000 2.049 -23.559) 23.648 1.990 ( 0.000 14.841 -25.693) 29.671 2.505 ( 0.000 12.599 52.346) 53.840 3.394 ( -0.000 -4.976 6.123) 7.890 3.456 ( 0.000 6.021 -45.400) 45.798 3.474 ( -0.000 -0.390 -1.949) 1.987 3.911 ( 0.000 1.008 12.533) 12.574 4.198 ( -0.000 -0.871 -17.008) 17.030 4.331 ( -0.000 -9.714 29.975) 31.510 4.857 ( -0.000 -16.172 -25.808) 30.456 4.951 ( 0.000 2.449 15.346) 15.540 5.007 ( -0.000 -8.021 4.250) 9.077 5.099 ( -0.000 -2.030 -5.900) 6.239 5.336 ( 0.000 4.833 -23.252) 23.749 6.065 ( 0.000 5.656 13.721) 14.841 6.284 ( 0.000 4.891 -9.693) 10.857 6.490 ( 0.000 4.911 17.118) 17.809 6.726 ( 0.000 1.834 -7.851) 8.063 7.890 ( 0.000 0.169 12.627) 12.628 8.097 ( -0.000 -2.331 -8.966) 9.264 8.643 ( 0.000 0.022 7.707) 7.707 8.786 ( 0.000 1.113 -7.773) 7.852 9.946 ( -0.000 -5.206 4.417) 6.828 10.057 ( -0.000 -5.729 -7.453) 9.401 11.104 ( -0.000 -10.585 15.214) 18.534 11.290 ( -0.000 -2.757 -5.220) 5.903 11.446 ( 0.000 2.613 11.659) 11.948 11.724 ( 0.000 4.697 -15.875) 16.555 12.522 ( -0.000 -0.035 4.811) 4.811 12.620 ( 0.000 0.019 -5.390) 5.390 12.690 ( -0.000 -30.297 11.809) 32.517 12.854 ( -0.000 -19.000 -5.609) 19.811 13.699 ( -0.000 -2.685 11.248) 11.564 13.929 ( 0.000 0.500 -12.510) 12.520 14.432 ( 0.000 10.191 4.819) 11.273 14.513 ( 0.000 10.947 -3.943) 11.635 15.357 ( -0.000 -0.117 12.512) 12.512 15.613 ( -0.000 -0.078 -14.569) 14.569 16.020 ( 0.000 5.434 5.938) 8.049 16.178 ( 0.000 2.643 -10.037) 10.379 16.737 ( -0.000 -0.065 9.219) 9.219 16.886 ( -0.000 -0.053 -6.584) 6.584 20.086 ( -0.000 -34.387 23.106) 41.429 20.410 ( -0.000 -17.019 -12.858) 21.330 21.456 ( 0.000 19.086 3.020) 19.323 21.590 ( 0.000 35.812 -13.219) 38.174 ======================= Grid point 378 (118/147) ======================= q-point: ( 0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 24.729 0.000 19.726) 31.633 2.544 ( 18.780 0.000 4.246) 19.254 2.677 ( 19.179 0.000 -15.168) 24.452 2.819 ( 16.680 0.000 -11.221) 20.103 3.837 ( 15.309 0.000 16.987) 22.868 4.020 ( 10.737 0.000 2.481) 11.020 4.243 ( 7.921 0.000 20.485) 21.963 4.415 ( 1.966 0.000 7.302) 7.562 4.515 ( 5.115 0.000 -3.158) 6.011 4.537 ( -0.543 -0.000 -9.039) 9.055 4.923 ( -2.814 -0.000 -5.920) 6.555 4.957 ( 5.591 0.000 -19.118) 19.919 5.498 ( 18.154 0.000 9.466) 20.474 5.832 ( 15.345 0.000 -21.470) 26.390 6.522 ( 17.152 0.000 4.745) 17.797 6.594 ( 19.070 0.000 -2.554) 19.240 7.113 ( 20.681 0.000 3.617) 20.995 7.181 ( 16.042 0.000 -3.158) 16.350 7.634 ( 18.504 0.000 5.944) 19.435 7.714 ( 16.047 0.000 -3.103) 16.344 8.143 ( 15.785 0.000 12.771) 20.304 8.350 ( 12.218 0.000 -8.840) 15.081 8.697 ( 14.032 0.000 3.003) 14.349 8.759 ( 15.431 0.000 -3.804) 15.893 9.185 ( -11.442 -0.000 6.128) 12.980 9.335 ( -14.160 -0.000 -9.948) 17.305 9.962 ( -2.768 -0.000 12.819) 13.114 10.112 ( -10.588 -0.000 -2.701) 10.927 10.535 ( -12.746 -0.000 6.790) 14.442 10.656 ( -13.150 -0.000 -5.566) 14.279 11.438 ( -8.565 -0.000 3.547) 9.271 11.529 ( -9.667 -0.000 -5.750) 11.248 11.641 ( -18.854 -0.000 2.695) 19.046 11.717 ( -14.760 -0.000 -5.315) 15.688 13.563 ( -14.688 -0.000 3.285) 15.050 13.631 ( -16.509 -0.000 -3.722) 16.924 14.108 ( -5.242 -0.000 2.571) 5.839 14.128 ( -4.499 -0.000 0.613) 4.541 16.584 ( 4.892 0.000 4.109) 6.388 16.664 ( 3.365 0.000 -4.036) 5.255 16.882 ( 11.993 0.000 2.425) 12.236 16.943 ( 13.022 0.000 -3.729) 13.545 18.133 ( 16.096 0.000 6.065) 17.200 18.264 ( 15.168 0.000 -7.847) 17.078 19.758 ( -8.924 -0.000 13.957) 16.566 20.031 ( -8.106 -0.000 -14.766) 16.845 21.517 ( 6.492 0.000 5.044) 8.221 21.595 ( 6.349 0.000 -3.233) 7.125 ======================= Grid point 379 (119/147) ======================= q-point: ( 0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( 21.850 1.795 15.331) 26.752 2.860 ( 13.301 -3.983 11.212) 17.846 3.005 ( 15.555 6.485 -15.549) 22.930 3.113 ( 12.940 -6.128 -13.176) 19.458 4.083 ( 9.779 -3.002 11.501) 15.392 4.193 ( 7.495 1.243 5.715) 9.507 4.366 ( 2.906 -0.666 16.237) 16.508 4.424 ( 0.076 -3.992 9.601) 10.398 4.548 ( 1.944 -2.534 -6.096) 6.882 4.603 ( 1.633 -3.839 -5.700) 7.064 4.874 ( -0.945 1.130 -2.501) 2.903 5.054 ( 4.455 0.165 -20.853) 21.324 5.767 ( 9.705 -0.085 7.953) 12.548 6.032 ( 6.828 2.348 -17.660) 19.079 6.755 ( 9.986 7.236 4.536) 13.140 6.838 ( 10.511 9.243 -4.137) 14.596 7.449 ( 13.969 -2.416 4.190) 14.782 7.500 ( 13.317 -6.567 -0.828) 14.871 7.930 ( 13.540 1.772 3.939) 14.213 7.985 ( 11.929 -2.352 -2.093) 12.337 8.468 ( 16.805 0.600 7.884) 18.572 8.596 ( 13.095 -1.192 -3.886) 13.711 8.817 ( -10.227 -0.506 3.826) 10.930 8.916 ( -1.607 -1.784 -4.821) 5.386 9.176 ( 7.601 0.712 0.949) 7.693 9.243 ( 16.006 -0.170 -5.003) 16.771 9.981 ( -6.059 0.212 5.402) 8.120 10.007 ( 4.250 -0.030 3.116) 5.270 10.357 ( -3.777 0.679 2.052) 4.352 10.411 ( -12.238 -0.461 -3.919) 12.858 11.168 ( -15.407 2.624 2.510) 15.829 11.238 ( -15.442 2.611 -5.027) 16.448 11.450 ( -5.366 -3.721 7.034) 9.598 11.569 ( -5.943 -4.116 -5.006) 8.793 13.318 ( -10.642 -0.960 0.855) 10.720 13.345 ( -13.246 -1.505 -1.865) 13.461 14.021 ( -3.529 0.743 1.798) 4.030 14.049 ( -3.456 0.351 -1.039) 3.626 16.612 ( -0.718 2.025 3.420) 4.039 16.682 ( -0.719 1.587 -3.876) 4.250 17.040 ( 5.244 0.712 4.490) 6.940 17.126 ( 6.608 0.678 -4.470) 8.007 18.403 ( 12.301 0.170 5.285) 13.389 18.516 ( 11.295 -0.013 -6.679) 13.122 19.595 ( -6.917 2.579 14.409) 16.190 19.880 ( -7.115 1.495 -15.480) 17.102 21.650 ( 6.040 -3.070 4.763) 8.282 21.722 ( 5.985 -2.098 -2.903) 6.974 ======================= Grid point 380 (120/147) ======================= q-point: ( 0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( 10.679 7.007 10.929) 16.810 3.114 ( 9.467 -0.135 12.062) 15.334 3.165 ( 7.110 2.260 -10.883) 13.195 3.361 ( 8.489 -2.076 -13.967) 16.475 4.236 ( 1.910 -2.423 9.214) 9.716 4.267 ( 2.372 0.293 13.967) 14.170 4.361 ( -0.393 -0.448 7.476) 7.499 4.500 ( 1.457 -6.210 5.357) 8.329 4.621 ( -0.444 -5.684 -9.100) 10.738 4.644 ( 1.505 -7.401 -6.802) 10.164 4.896 ( 2.383 -3.779 5.475) 7.067 5.119 ( 1.937 -1.332 -15.689) 15.864 5.879 ( 2.543 -0.641 3.776) 4.597 6.084 ( 1.451 3.437 -15.814) 16.248 6.800 ( 2.210 12.534 3.219) 13.128 6.872 ( 2.550 17.160 -4.106) 17.828 7.660 ( 4.992 -5.515 5.412) 9.199 7.717 ( 4.405 -6.194 -0.451) 7.614 8.122 ( 6.597 -0.152 4.253) 7.850 8.176 ( 5.425 -2.300 -0.453) 5.909 8.525 ( -10.186 4.084 4.263) 11.773 8.651 ( -11.396 -1.725 -7.367) 13.679 8.842 ( 10.726 -4.651 5.441) 12.895 8.919 ( 7.688 -9.170 -2.310) 12.188 9.459 ( 16.194 1.682 3.635) 16.682 9.548 ( 15.137 2.835 -4.939) 16.173 9.804 ( -9.022 0.594 7.415) 11.693 9.938 ( -13.170 0.958 -7.045) 14.966 10.293 ( 0.658 0.873 5.745) 5.848 10.381 ( 2.354 1.841 -3.238) 4.406 10.948 ( -4.654 3.033 1.588) 5.777 11.005 ( -5.981 1.356 -4.532) 7.626 11.424 ( 0.419 -2.300 6.558) 6.962 11.515 ( -1.934 -4.973 -2.522) 5.902 13.183 ( -3.603 -1.381 1.408) 4.108 13.213 ( -0.994 -1.255 -1.645) 2.296 13.967 ( -1.509 1.047 1.006) 2.094 13.997 ( -1.665 0.396 -2.192) 2.781 16.537 ( -6.103 0.710 3.739) 7.192 16.618 ( -5.288 0.495 -4.865) 7.203 17.084 ( 0.086 0.414 6.321) 6.335 17.193 ( 1.358 0.906 -5.262) 5.509 18.588 ( 7.557 1.146 4.311) 8.775 18.684 ( 6.643 1.251 -5.906) 8.976 19.471 ( -4.320 2.293 14.312) 15.125 19.750 ( -5.372 1.349 -15.080) 16.065 21.777 ( 4.916 -3.106 4.194) 7.169 21.840 ( 4.754 -1.906 -2.451) 5.678 ======================= Grid point 381 (121/147) ======================= q-point: (-0.62 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( 2.107 8.394 8.042) 11.814 3.137 ( -0.567 8.421 -1.562) 8.583 3.290 ( 2.609 -1.517 2.116) 3.686 3.436 ( 0.024 3.428 -10.250) 10.808 4.189 ( -4.645 -0.644 14.750) 15.477 4.281 ( -2.314 2.273 7.876) 8.518 4.379 ( -1.236 -7.685 5.128) 9.321 4.533 ( -2.336 -4.468 -0.748) 5.097 4.630 ( -1.254 -4.037 -5.263) 6.750 4.725 ( 1.197 -5.234 -6.235) 8.228 4.996 ( 0.570 -13.792 5.702) 14.935 5.147 ( -0.742 -3.621 -7.642) 8.490 5.888 ( -2.508 -2.144 0.074) 3.300 6.053 ( -1.910 4.196 -15.064) 15.754 6.663 ( -5.858 19.003 0.867) 19.904 6.704 ( -5.680 19.583 -3.885) 20.757 7.716 ( -3.549 -7.166 5.115) 9.493 7.760 ( -3.175 -4.964 1.292) 6.033 8.147 ( -5.296 -1.700 4.666) 7.261 8.196 ( -5.437 -3.970 3.668) 7.666 8.267 ( -15.387 -0.779 0.590) 15.418 8.414 ( -14.751 -7.693 -10.386) 19.612 9.021 ( 3.766 -4.014 7.926) 9.650 9.100 ( 3.354 -7.248 0.095) 7.987 9.474 ( -8.824 5.568 5.650) 11.866 9.581 ( -12.449 6.096 -5.206) 14.807 9.882 ( 14.571 2.166 1.049) 14.768 9.924 ( 17.383 0.803 -3.455) 17.741 10.264 ( -3.289 -0.860 2.064) 3.977 10.319 ( -4.954 1.597 -3.093) 6.055 10.952 ( 6.219 3.473 2.040) 7.410 11.013 ( 6.515 2.662 -3.815) 8.006 11.506 ( 7.757 -0.846 7.121) 10.564 11.612 ( 9.172 -3.680 -3.990) 10.657 13.232 ( 7.847 -0.338 4.928) 9.272 13.309 ( 10.538 0.730 -2.927) 10.961 13.949 ( 0.407 1.046 0.339) 1.172 13.982 ( 0.315 0.107 -3.133) 3.151 16.373 ( -12.149 -3.213 4.598) 13.382 16.473 ( -11.010 -3.249 -6.139) 13.018 17.047 ( -3.740 -0.334 7.474) 8.364 17.173 ( -2.769 0.685 -5.862) 6.520 18.662 ( 1.365 2.998 3.458) 4.775 18.741 ( 1.012 3.625 -5.029) 6.281 19.401 ( -2.018 0.624 13.669) 13.831 19.665 ( -3.069 -0.369 -14.076) 14.412 21.873 ( 3.545 -1.228 3.372) 5.045 21.923 ( 3.183 -0.359 -1.920) 3.734 ======================= Grid point 382 (122/147) ======================= q-point: (-0.54 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( -4.046 11.050 6.412) 13.401 3.008 ( -6.795 8.187 -0.549) 10.654 3.258 ( -5.115 3.355 -1.175) 6.229 3.332 ( -6.894 6.358 -7.467) 11.988 4.092 ( -7.131 -2.377 14.327) 16.179 4.163 ( -7.726 1.804 8.755) 11.815 4.401 ( -3.093 -10.102 0.650) 10.585 4.464 ( -7.166 -2.527 -5.882) 9.610 4.623 ( -2.692 -3.625 4.078) 6.085 4.756 ( -0.477 -1.746 -3.054) 3.550 5.050 ( -5.134 -10.273 3.904) 12.130 5.145 ( -4.117 -9.057 -4.003) 10.724 5.799 ( -8.935 -1.352 -2.778) 9.454 5.938 ( -6.851 6.738 -14.800) 17.646 6.325 ( -13.829 19.333 2.959) 23.953 6.427 ( -10.983 14.783 -8.675) 20.357 7.622 ( -11.134 -5.748 6.409) 14.074 7.681 ( -8.697 -2.881 1.448) 9.275 7.938 ( -14.412 0.432 3.078) 14.743 7.949 ( -18.179 -3.158 2.795) 18.662 8.103 ( -9.308 -11.001 2.196) 14.577 8.232 ( -13.024 -12.767 -9.253) 20.451 9.034 ( -7.492 -3.072 9.188) 12.247 9.131 ( -2.905 0.612 0.316) 2.985 9.265 ( -10.838 6.819 -0.233) 12.807 9.303 ( -4.326 5.191 -2.422) 7.178 9.981 ( -7.500 0.312 0.726) 7.542 10.036 ( 0.708 0.421 -4.516) 4.590 10.384 ( 19.413 2.364 7.882) 21.085 10.511 ( 23.445 2.577 -4.748) 24.060 11.077 ( 7.931 1.603 0.636) 8.117 11.141 ( 7.674 1.808 -5.013) 9.343 11.739 ( 17.091 2.817 9.310) 19.665 11.889 ( 18.453 0.977 -6.779) 19.683 13.453 ( 14.791 1.719 8.119) 16.960 13.571 ( 17.598 3.599 -4.036) 18.410 13.966 ( 2.023 0.691 0.522) 2.200 14.014 ( 3.284 -0.159 -4.393) 5.487 16.123 ( -18.865 -9.892 5.789) 22.074 16.248 ( -17.497 -9.964 -7.422) 21.460 16.948 ( -7.347 -1.062 7.857) 10.809 17.080 ( -6.717 0.297 -6.175) 9.129 18.587 ( -5.964 5.974 3.702) 9.217 18.671 ( -4.991 5.705 -5.303) 9.251 19.378 ( -1.147 -1.722 14.107) 14.258 19.642 ( -0.915 -3.774 -13.708) 14.247 21.926 ( 2.240 1.945 2.669) 3.991 21.968 ( 2.241 1.902 -1.715) 3.403 ======================= Grid point 383 (123/147) ======================= q-point: (-0.46 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( -7.970 13.887 5.885) 17.059 2.774 ( -11.892 7.458 1.769) 14.148 3.065 ( -9.762 10.748 -4.554) 15.217 3.104 ( -12.247 5.910 -7.489) 15.524 3.911 ( -12.387 0.192 12.152) 17.354 4.006 ( -9.801 -2.264 6.607) 12.035 4.304 ( -9.678 -3.097 1.657) 10.296 4.414 ( -5.394 -12.803 -3.691) 14.375 4.566 ( -6.259 -3.761 11.248) 13.411 4.731 ( -2.388 1.588 0.230) 2.877 4.925 ( -11.798 0.243 5.537) 13.035 5.084 ( -8.577 -6.004 -10.794) 15.037 5.547 ( -16.656 2.575 -2.161) 16.992 5.688 ( -14.366 7.690 -15.036) 22.172 5.949 ( -15.263 5.433 3.163) 16.507 6.102 ( -15.056 7.382 -13.116) 21.289 7.370 ( -18.604 -3.866 7.527) 20.438 7.424 ( -17.942 1.963 2.071) 18.167 7.667 ( -12.754 -1.943 4.199) 13.567 7.724 ( -9.017 -1.717 0.531) 9.194 7.983 ( -12.340 -9.580 0.637) 15.635 8.067 ( -13.624 -12.796 -5.706) 19.543 8.779 ( -14.424 0.919 7.325) 16.203 8.893 ( -14.599 4.791 -5.127) 16.198 9.181 ( 3.339 4.787 6.963) 9.086 9.321 ( 3.085 -0.908 -7.556) 8.212 9.915 ( 3.096 -0.533 10.003) 10.485 10.110 ( 9.503 0.081 -9.886) 13.713 10.783 ( 23.237 5.247 11.128) 26.293 10.934 ( 22.365 6.027 -3.581) 23.437 11.218 ( 7.226 -1.668 -2.802) 7.927 11.274 ( 7.353 -0.364 -6.933) 10.113 12.081 ( 22.180 8.129 11.347) 26.206 12.269 ( 23.878 7.350 -8.742) 26.469 13.721 ( 13.945 2.687 9.503) 17.087 13.866 ( 14.202 4.803 -5.809) 16.078 14.032 ( 7.006 1.107 3.084) 7.735 14.117 ( 8.059 1.377 -5.735) 9.987 15.809 ( -24.240 -19.093 7.382) 31.727 15.964 ( -22.395 -19.112 -8.981) 30.781 16.779 ( -11.765 -1.765 7.680) 14.160 16.911 ( -11.216 -0.080 -6.312) 12.870 18.362 ( -12.548 7.800 4.939) 15.579 18.473 ( -11.276 7.104 -6.907) 15.010 19.376 ( -1.383 -4.652 16.854) 17.539 19.677 ( 0.284 -7.595 -14.806) 16.643 21.933 ( 1.422 5.410 3.054) 6.373 21.990 ( 2.847 4.925 -2.893) 6.382 ======================= Grid point 384 (124/147) ======================= q-point: (-0.38 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -15.646 11.814 7.543) 21.007 2.485 ( -11.466 9.901 3.370) 15.519 2.740 ( -14.721 15.186 -5.036) 21.741 2.826 ( -10.623 9.597 -10.787) 17.925 3.659 ( -13.521 0.548 12.711) 18.566 3.788 ( -13.818 -0.582 0.618) 13.844 4.164 ( -8.985 -8.093 12.246) 17.210 4.348 ( -11.647 -7.402 7.857) 15.879 4.446 ( -8.508 -7.002 -0.218) 11.021 4.546 ( -16.087 13.621 0.742) 21.092 4.682 ( -8.499 1.597 8.506) 12.130 4.921 ( -9.123 2.161 -16.893) 19.320 5.199 ( -20.199 -5.671 0.479) 20.986 5.324 ( -18.061 0.706 -14.933) 23.445 5.673 ( -13.793 -0.422 -2.888) 14.098 5.757 ( -17.365 0.976 -12.376) 21.346 7.018 ( -18.784 1.852 7.000) 20.131 7.065 ( -16.509 2.331 2.603) 16.875 7.416 ( -16.124 2.893 4.253) 16.924 7.485 ( -18.422 2.583 -1.660) 18.676 7.822 ( -6.812 -6.549 5.459) 10.913 7.926 ( -8.154 -10.399 -4.484) 13.954 8.595 ( -3.590 0.912 2.700) 4.584 8.667 ( -5.690 4.105 -5.108) 8.679 9.253 ( 6.140 -2.533 8.940) 11.137 9.414 ( 5.103 -4.963 -7.545) 10.373 10.102 ( 14.638 0.011 15.471) 21.298 10.394 ( 19.498 0.271 -13.584) 23.765 11.154 ( 19.837 8.850 10.486) 24.121 11.217 ( 12.614 6.215 3.539) 14.501 11.380 ( 7.750 -2.810 -7.369) 11.057 11.473 ( 14.183 -1.330 -11.266) 18.161 12.434 ( 21.866 12.199 12.912) 28.172 12.653 ( 23.179 13.790 -10.339) 28.885 13.916 ( 7.525 0.771 7.050) 10.340 13.999 ( 3.012 -1.749 -1.450) 3.773 14.224 ( 12.462 5.828 0.425) 13.763 14.263 ( 7.827 4.613 -2.956) 9.554 15.527 ( -19.779 -26.836 8.213) 34.334 15.708 ( -19.596 -26.160 -10.671) 34.384 16.521 ( -17.049 -2.608 7.464) 18.793 16.654 ( -16.007 -0.496 -6.556) 17.305 18.013 ( -18.452 7.720 6.177) 20.934 18.152 ( -17.207 7.430 -8.754) 20.686 19.393 ( -1.417 -8.287 21.378) 22.971 19.755 ( 1.178 -11.056 -16.858) 20.194 21.912 ( 1.671 8.702 4.666) 10.014 22.013 ( 4.608 8.658 -5.833) 11.411 ======================= Grid point 385 (125/147) ======================= q-point: (-0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -21.727 9.050 12.170) 26.497 2.196 ( -12.697 8.504 -3.507) 15.679 2.341 ( -12.835 20.144 3.039) 24.078 2.583 ( -5.796 15.117 -15.619) 22.496 3.388 ( -12.826 6.943 18.542) 23.591 3.532 ( -12.649 -0.550 2.455) 12.897 3.990 ( -19.344 8.149 6.189) 21.884 4.092 ( -9.376 -9.967 16.077) 21.112 4.144 ( -15.104 9.092 -1.359) 17.681 4.363 ( -8.808 -9.628 -8.216) 15.420 4.451 ( -15.927 -2.800 4.738) 16.851 4.690 ( -15.324 -0.868 -17.215) 23.064 4.921 ( -9.652 -5.169 4.228) 11.737 5.107 ( -7.760 -6.110 -13.902) 17.054 5.362 ( -17.314 -1.120 -0.986) 17.378 5.511 ( -10.238 -2.679 -14.649) 18.071 6.648 ( -16.277 7.999 9.617) 20.528 6.773 ( -12.674 4.833 -2.246) 13.749 7.036 ( -17.753 6.771 4.966) 19.639 7.096 ( -17.101 2.746 0.461) 17.326 7.811 ( 0.193 -4.589 6.251) 7.757 7.915 ( -0.884 -8.392 -4.058) 9.364 8.598 ( 1.281 5.169 0.571) 5.355 8.616 ( 5.404 0.878 -1.278) 5.622 9.454 ( 9.831 -9.129 7.135) 15.196 9.584 ( 7.361 -9.098 -5.536) 12.946 10.406 ( 16.102 -1.461 20.996) 26.500 10.789 ( 20.472 -0.776 -15.925) 25.948 11.325 ( 7.228 4.255 5.226) 9.882 11.470 ( 17.269 10.639 3.541) 20.590 11.567 ( 10.200 -4.552 -3.775) 11.790 11.778 ( 16.944 0.747 -12.838) 21.271 12.720 ( 16.123 11.125 10.832) 22.384 12.908 ( 12.926 14.891 -9.214) 21.765 13.975 ( -7.402 -5.174 2.935) 9.497 13.980 ( -5.707 -4.769 2.478) 7.839 14.312 ( 3.834 0.148 6.599) 7.633 14.408 ( 9.606 3.972 -4.329) 11.260 15.511 ( 0.303 -19.590 3.516) 19.906 15.636 ( -4.692 -20.075 -9.492) 22.696 16.181 ( -20.158 -3.570 8.184) 22.047 16.329 ( -18.053 -1.798 -7.321) 19.563 17.567 ( -23.308 6.114 6.553) 24.972 17.721 ( -23.010 6.990 -10.296) 26.159 19.443 ( -0.787 -12.546 26.834) 29.632 19.873 ( 1.991 -14.076 -18.844) 23.605 21.878 ( 2.217 12.041 7.082) 14.144 22.047 ( 6.652 12.664 -10.703) 17.866 ======================= Grid point 386 (126/147) ======================= q-point: (-0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -19.049 7.016 20.232) 28.660 1.898 ( -12.041 4.854 -19.333) 23.288 2.026 ( -4.610 23.728 19.836) 31.269 2.397 ( -1.789 18.546 -19.628) 27.063 3.069 ( -9.000 24.120 33.777) 42.470 3.351 ( -7.125 -3.181 5.067) 9.304 3.590 ( -15.790 0.317 -3.541) 16.186 3.803 ( -12.650 10.122 -20.973) 26.502 4.032 ( -7.858 -5.270 12.923) 16.017 4.146 ( -8.622 -4.406 15.163) 17.990 4.264 ( -11.271 -6.605 -10.058) 16.487 4.525 ( -5.421 -14.531 -19.987) 25.299 4.860 ( -2.957 -6.624 8.083) 10.861 5.034 ( -4.364 -2.710 -3.564) 6.253 5.113 ( -9.529 -2.832 -0.303) 9.946 5.388 ( -4.603 -3.047 -21.174) 21.882 6.326 ( -10.191 9.294 11.837) 18.175 6.514 ( -9.080 7.376 -7.812) 14.067 6.727 ( -8.859 8.258 11.228) 16.515 6.851 ( -7.202 2.952 -0.823) 7.827 7.857 ( 1.470 -2.579 7.017) 7.619 7.979 ( 1.326 -7.286 -5.424) 9.180 8.626 ( 4.211 3.993 7.171) 9.225 8.738 ( 6.710 0.984 -5.179) 8.533 9.699 ( 7.523 -10.515 4.864) 13.814 9.795 ( 6.291 -11.765 -4.186) 13.982 10.718 ( 13.002 -7.656 26.301) 30.322 11.122 ( 12.324 -2.141 -13.307) 18.263 11.427 ( 5.693 1.968 8.353) 10.298 11.691 ( 12.582 6.785 -13.970) 19.987 11.854 ( 18.130 -3.896 9.469) 20.822 12.114 ( 19.217 -2.664 -13.427) 23.594 12.817 ( -5.322 -0.017 3.355) 6.291 12.895 ( -8.058 3.197 -4.432) 9.736 13.744 ( -11.953 -5.697 13.605) 18.985 13.942 ( -3.567 -4.828 -6.885) 9.134 14.434 ( 7.765 -0.151 8.929) 11.834 14.565 ( 9.944 4.641 -5.564) 12.303 15.564 ( -12.520 -3.452 5.042) 13.931 15.700 ( -3.589 -4.014 -9.793) 11.176 15.977 ( 3.327 -3.219 6.002) 7.580 16.124 ( 0.172 -4.254 -8.611) 9.606 17.073 ( -24.279 3.030 4.923) 24.958 17.201 ( -25.510 5.799 -8.952) 27.650 19.539 ( -0.055 -17.584 31.633) 36.192 20.018 ( 1.822 -16.576 -19.782) 25.874 21.824 ( 1.790 15.393 9.514) 18.184 22.075 ( 6.366 17.061 -17.538) 25.282 ======================= Grid point 387 (127/147) ======================= q-point: (-0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 0.000 4.992 27.664) 28.111 1.746 ( 0.000 3.768 -23.092) 23.398 1.818 ( 0.000 24.894 24.001) 34.580 2.246 ( 0.000 20.372 -21.760) 29.808 2.782 ( 0.000 27.429 43.508) 51.432 3.319 ( -0.000 -5.590 7.759) 9.563 3.447 ( -0.000 -3.233 -5.589) 6.457 3.582 ( 0.000 11.962 -37.550) 39.409 3.927 ( 0.000 1.032 12.057) 12.101 4.168 ( -0.000 -12.624 24.373) 27.448 4.173 ( -0.000 -3.059 -13.720) 14.057 4.604 ( -0.000 -18.934 -21.710) 28.807 4.885 ( -0.000 -9.062 7.871) 12.003 4.986 ( 0.000 2.257 13.271) 13.462 5.049 ( -0.000 -4.529 -10.051) 11.025 5.365 ( -0.000 -1.013 -23.866) 23.887 6.166 ( 0.000 8.449 12.818) 15.352 6.372 ( 0.000 7.330 -9.123) 11.703 6.585 ( 0.000 8.398 14.690) 16.921 6.762 ( 0.000 3.293 -3.504) 4.809 7.886 ( -0.000 -1.133 8.946) 9.017 8.042 ( -0.000 -5.812 -7.067) 9.150 8.656 ( 0.000 2.129 8.997) 9.246 8.803 ( 0.000 1.139 -7.309) 7.398 9.844 ( -0.000 -9.254 4.339) 10.220 9.940 ( -0.000 -10.860 -5.310) 12.088 10.932 ( -0.000 -12.408 24.635) 27.583 11.254 ( -0.000 -2.204 -8.840) 9.110 11.479 ( 0.000 1.756 10.618) 10.763 11.792 ( 0.000 4.366 -20.152) 20.620 12.311 ( -0.000 -20.747 16.749) 26.664 12.522 ( -0.000 -0.060 4.863) 4.863 12.586 ( -0.000 -18.151 -12.014) 21.767 12.621 ( 0.000 0.033 -5.446) 5.446 13.674 ( -0.000 -0.830 14.379) 14.403 13.927 ( -0.000 -0.610 -11.524) 11.540 14.527 ( 0.000 3.044 8.758) 9.271 14.651 ( 0.000 7.837 -5.122) 9.362 15.355 ( -0.000 -0.207 12.551) 12.552 15.612 ( -0.000 -0.138 -14.612) 14.613 16.087 ( 0.000 3.736 3.210) 4.925 16.239 ( 0.000 5.923 -14.052) 15.249 16.736 ( -0.000 -0.116 9.237) 9.238 16.885 ( -0.000 -0.095 -6.592) 6.592 19.682 ( -0.000 -23.428 32.829) 40.331 20.158 ( -0.000 -18.150 -18.997) 26.274 21.725 ( 0.000 18.273 9.644) 20.661 22.007 ( 0.000 23.165 -21.729) 31.761 ======================= Grid point 392 (128/147) ======================= q-point: ( 0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( 7.162 0.000 10.342) 12.580 3.050 ( 16.277 0.000 11.222) 19.771 3.225 ( 4.452 0.000 -7.794) 8.975 3.330 ( 11.923 0.000 -15.604) 19.638 4.207 ( 4.373 0.000 10.464) 11.341 4.270 ( -1.082 -0.000 16.450) 16.485 4.395 ( 0.983 0.000 -2.301) 2.502 4.418 ( 1.380 0.000 11.165) 11.250 4.575 ( 2.117 0.000 -4.900) 5.337 4.588 ( -1.358 -0.000 -6.940) 7.071 4.880 ( 0.774 0.000 2.614) 2.726 5.112 ( 1.728 0.000 -20.030) 20.104 5.874 ( 2.153 0.000 7.144) 7.462 6.108 ( 1.094 0.000 -16.003) 16.040 6.896 ( 2.652 0.000 5.831) 6.406 7.006 ( 3.506 0.000 -5.322) 6.373 7.625 ( 4.683 0.000 3.367) 5.768 7.651 ( 4.633 0.000 0.721) 4.689 8.130 ( 5.482 0.000 2.955) 6.228 8.151 ( 5.922 0.000 -0.557) 5.949 8.564 ( -14.668 -0.000 2.535) 14.886 8.623 ( -11.313 -0.000 -3.134) 11.739 8.829 ( 8.787 0.000 0.557) 8.805 8.836 ( 12.030 0.000 1.092) 12.080 9.471 ( 16.869 0.000 3.963) 17.328 9.567 ( 15.954 0.000 -5.477) 16.868 9.809 ( -8.928 -0.000 7.552) 11.693 9.945 ( -12.542 -0.000 -7.139) 14.432 10.300 ( -0.051 -0.000 6.280) 6.280 10.394 ( 2.332 0.000 -3.354) 4.085 10.976 ( -3.920 -0.000 1.203) 4.101 11.010 ( -6.560 -0.000 -3.204) 7.301 11.410 ( 2.082 0.000 4.418) 4.885 11.473 ( -2.375 -0.000 -1.408) 2.761 13.173 ( -3.372 -0.000 1.296) 3.612 13.204 ( -0.285 -0.000 -1.908) 1.929 13.975 ( -1.577 -0.000 0.869) 1.800 14.000 ( -1.795 -0.000 -1.765) 2.517 16.541 ( -7.231 -0.000 3.680) 8.113 16.621 ( -6.282 -0.000 -4.772) 7.889 17.086 ( -0.226 -0.000 6.500) 6.504 17.200 ( 1.216 0.000 -5.484) 5.618 18.598 ( 7.932 0.000 4.430) 9.085 18.693 ( 7.180 0.000 -5.718) 9.179 19.488 ( -5.004 -0.000 13.630) 14.519 19.759 ( -5.893 -0.000 -14.880) 16.005 21.754 ( 5.736 0.000 4.751) 7.448 21.826 ( 5.393 0.000 -2.856) 6.102 ======================= Grid point 393 (129/147) ======================= q-point: ( 0.31 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.103 ( 2.190 4.609 7.321) 8.924 3.234 ( -1.330 2.745 -6.755) 7.412 3.275 ( 6.136 1.011 9.076) 11.002 3.470 ( 2.751 1.197 -11.621) 12.002 4.190 ( -5.259 0.977 16.889) 17.716 4.253 ( -1.641 -4.806 12.170) 13.187 4.364 ( -2.017 5.076 -0.098) 5.463 4.457 ( -1.829 -6.708 1.523) 7.117 4.570 ( -1.440 -2.956 -4.888) 5.891 4.630 ( 1.302 -5.637 -6.979) 9.065 4.891 ( -0.670 -2.384 5.729) 6.241 5.124 ( -0.614 -0.508 -16.967) 16.986 5.865 ( -3.278 -0.965 6.832) 7.639 6.093 ( -1.976 1.470 -15.622) 15.815 6.862 ( -3.308 8.713 4.371) 10.294 6.958 ( -4.479 12.403 -5.122) 14.147 7.628 ( -4.863 -3.503 4.077) 7.249 7.669 ( -4.655 -6.735 -0.217) 8.190 8.122 ( -6.191 -1.023 5.321) 8.227 8.162 ( -6.109 -1.381 0.266) 6.269 8.261 ( -16.851 0.034 0.129) 16.852 8.332 ( -17.395 -3.454 -7.307) 19.181 8.981 ( 4.277 -1.567 6.661) 8.069 9.029 ( 6.375 -2.743 1.910) 7.198 9.528 ( -8.233 2.085 6.113) 10.464 9.639 ( -12.708 2.172 -5.010) 13.832 9.902 ( 15.169 0.741 0.116) 15.188 9.932 ( 17.902 0.339 -3.010) 18.157 10.257 ( -3.525 -0.257 3.172) 4.748 10.335 ( -5.212 0.648 -4.386) 6.843 11.002 ( 6.163 3.406 1.833) 7.277 11.032 ( 6.194 -0.391 -0.937) 6.276 11.507 ( 8.870 1.335 3.019) 9.465 11.556 ( 10.880 -3.799 -2.459) 11.783 13.228 ( 8.754 -0.184 5.369) 10.271 13.315 ( 11.672 0.188 -3.538) 12.198 13.962 ( 0.503 0.648 -0.211) 0.847 13.982 ( -0.067 -0.091 -2.375) 2.378 16.342 ( -14.319 -1.179 4.534) 15.066 16.441 ( -13.284 -1.266 -6.075) 14.662 17.044 ( -4.040 -0.101 8.039) 8.998 17.181 ( -2.959 0.331 -6.408) 7.066 18.693 ( 2.316 1.251 3.834) 4.651 18.778 ( 1.956 1.418 -5.180) 5.716 19.411 ( -3.068 0.477 12.861) 13.230 19.662 ( -4.262 -0.042 -13.668) 14.317 21.858 ( 4.876 -0.679 3.935) 6.302 21.918 ( 4.059 -0.298 -2.330) 4.690 ======================= Grid point 394 (130/147) ======================= q-point: (-0.62 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.050 ( -3.340 7.528 4.109) 9.204 3.121 ( -6.802 6.536 -2.763) 9.830 3.294 ( -2.668 2.653 4.316) 5.726 3.422 ( -4.824 5.676 -8.823) 11.547 4.068 ( -7.488 -0.711 17.337) 18.898 4.196 ( -7.661 0.563 11.761) 14.048 4.280 ( -4.637 -4.524 -1.985) 6.775 4.412 ( -7.134 -4.661 -1.237) 8.611 4.562 ( -2.769 -4.932 -1.904) 5.968 4.686 ( -0.795 -7.800 -8.815) 11.797 4.886 ( -3.816 -8.172 7.203) 11.542 5.092 ( -3.448 -0.959 -11.541) 12.083 5.763 ( -8.987 -2.678 6.648) 11.495 6.005 ( -6.227 3.172 -16.424) 17.849 6.632 ( -11.564 19.792 0.790) 22.936 6.673 ( -12.099 19.610 -3.548) 23.313 7.509 ( -12.342 -9.084 5.866) 16.409 7.594 ( -9.548 -10.131 -2.399) 14.126 7.910 ( -17.726 -2.163 2.438) 18.023 7.936 ( -16.411 -3.989 2.569) 17.083 7.981 ( -10.943 -1.628 2.312) 11.303 8.093 ( -12.242 -7.376 -7.763) 16.264 8.997 ( -5.465 -2.068 10.232) 11.783 9.117 ( 0.797 -1.483 -1.845) 2.497 9.349 ( -8.210 4.713 1.419) 9.572 9.369 ( -9.815 3.494 -0.349) 10.424 9.985 ( -8.289 0.184 -0.120) 8.292 10.039 ( -0.256 0.112 -5.111) 5.119 10.411 ( 21.029 1.376 7.826) 22.480 10.540 ( 24.470 1.539 -4.907) 25.005 11.109 ( 6.682 2.727 0.859) 7.268 11.159 ( 6.533 0.503 -3.216) 7.299 11.773 ( 19.788 2.231 6.301) 20.886 11.884 ( 21.093 -1.393 -5.952) 21.961 13.471 ( 15.811 0.913 9.399) 18.417 13.610 ( 19.097 1.988 -4.780) 19.786 13.980 ( 1.990 1.207 -0.666) 2.421 14.010 ( 3.324 -0.491 -3.603) 4.927 16.016 ( -22.462 -5.410 5.538) 23.759 16.135 ( -21.552 -5.922 -7.127) 23.459 16.937 ( -7.555 -0.483 8.678) 11.517 17.085 ( -6.890 0.356 -6.976) 9.812 18.656 ( -4.729 3.613 3.804) 7.063 18.740 ( -4.218 3.730 -5.126) 7.615 19.362 ( -2.364 -0.682 12.676) 12.913 19.602 ( -2.788 -1.956 -12.620) 13.071 21.943 ( 3.967 0.688 2.569) 4.776 21.982 ( 2.954 0.437 -1.552) 3.365 ======================= Grid point 395 (131/147) ======================= q-point: (-0.54 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( -10.040 7.742 2.147) 12.858 2.897 ( -9.751 10.515 0.280) 14.343 3.155 ( -8.690 4.703 -0.259) 9.884 3.229 ( -9.492 9.582 -7.369) 15.369 3.906 ( -10.981 -1.110 16.526) 19.873 3.995 ( -10.980 1.404 9.699) 14.717 4.236 ( -6.739 -11.127 -2.988) 13.347 4.260 ( -11.424 -3.903 -3.473) 12.562 4.516 ( -5.689 -4.083 5.714) 9.038 4.696 ( -3.208 -5.954 -6.021) 9.055 4.844 ( -8.265 -10.761 3.707) 14.066 5.000 ( -7.262 -1.821 -6.098) 9.656 5.554 ( -15.147 -2.748 3.805) 15.857 5.779 ( -15.520 6.078 -15.663) 22.873 6.179 ( -16.835 23.547 2.422) 29.047 6.283 ( -16.064 16.870 -9.010) 24.977 7.278 ( -18.151 -8.920 8.073) 21.777 7.400 ( -17.757 -6.823 -4.057) 19.451 7.636 ( -11.739 -1.818 4.290) 12.630 7.706 ( -8.149 -1.216 -0.733) 8.271 7.831 ( -10.281 -9.490 3.677) 14.466 7.923 ( -11.965 -8.380 -5.309) 15.543 8.783 ( -14.190 -0.103 10.504) 17.655 8.944 ( -15.434 2.510 -6.755) 17.034 9.245 ( 1.637 3.642 3.541) 5.337 9.319 ( 0.320 0.842 -4.160) 4.257 9.911 ( 3.539 -0.095 10.271) 10.864 10.111 ( 9.832 0.116 -9.968) 14.002 10.838 ( 23.624 2.659 10.881) 26.146 11.003 ( 24.460 3.800 -4.444) 25.149 11.213 ( 5.906 0.810 -2.469) 6.452 11.274 ( 6.267 0.061 -6.692) 9.168 12.183 ( 25.476 6.364 9.697) 27.992 12.342 ( 27.042 3.215 -7.511) 28.249 13.751 ( 13.091 1.758 11.038) 17.213 13.925 ( 11.121 3.856 -7.313) 13.858 14.061 ( 11.702 2.492 2.611) 12.246 14.137 ( 11.034 1.294 -5.649) 12.463 15.579 ( -29.813 -13.530 6.950) 33.469 15.724 ( -28.406 -14.802 -8.404) 33.116 16.759 ( -12.019 -1.027 8.734) 14.893 16.911 ( -11.418 0.130 -7.326) 13.566 18.461 ( -12.211 6.088 4.767) 14.453 18.564 ( -10.902 5.711 -6.215) 13.787 19.326 ( -2.668 -2.680 14.467) 14.953 19.585 ( -1.626 -5.381 -12.843) 14.019 21.993 ( 2.781 3.335 2.257) 4.894 22.035 ( 3.705 1.744 -2.130) 4.616 ======================= Grid point 396 (132/147) ======================= q-point: (-0.46 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -17.942 8.354 5.071) 20.431 2.632 ( -11.717 10.382 -2.343) 15.830 2.910 ( -12.691 8.599 -1.857) 15.442 2.970 ( -8.419 11.598 -6.102) 15.577 3.670 ( -12.830 0.910 12.821) 18.161 3.773 ( -13.205 -1.119 5.405) 14.312 4.065 ( -11.513 -5.447 1.679) 12.847 4.168 ( -9.969 -14.220 -5.206) 18.130 4.406 ( -7.869 -2.154 13.256) 15.565 4.641 ( -7.099 -3.407 -1.518) 8.020 4.686 ( -13.065 -0.394 3.251) 13.470 4.852 ( -11.665 -6.963 -6.904) 15.239 5.237 ( -17.150 4.582 -1.237) 17.795 5.334 ( -23.777 4.248 -8.475) 25.598 5.764 ( -13.590 13.200 -3.095) 19.196 5.852 ( -18.419 11.605 -12.575) 25.141 6.997 ( -15.307 -3.901 7.100) 17.318 7.086 ( -16.301 -0.699 -1.653) 16.400 7.436 ( -13.037 0.259 4.492) 13.792 7.514 ( -16.719 1.514 -2.973) 17.049 7.707 ( -6.978 -9.187 5.894) 12.955 7.792 ( -6.246 -8.673 -2.087) 10.890 8.600 ( -3.861 -0.147 4.740) 6.115 8.704 ( -6.528 1.327 -6.096) 9.030 9.243 ( 1.155 0.757 6.008) 6.164 9.355 ( 2.843 -3.607 -5.456) 7.132 10.111 ( 15.634 1.220 15.912) 22.341 10.402 ( 19.812 0.711 -12.964) 23.687 11.236 ( 19.213 1.726 12.191) 22.820 11.276 ( 6.967 3.620 1.275) 7.954 11.378 ( 10.241 2.265 -8.818) 13.703 11.470 ( 17.856 0.761 -11.882) 21.462 12.603 ( 24.368 11.875 13.543) 30.302 12.818 ( 26.357 9.709 -9.249) 29.572 13.921 ( 5.662 -0.053 6.534) 8.646 13.987 ( 0.220 0.845 -1.211) 1.493 14.312 ( 12.928 6.361 -0.286) 14.411 14.347 ( 8.659 7.716 -3.903) 12.237 15.168 ( -21.662 -24.610 8.672) 33.913 15.350 ( -21.651 -25.045 -10.378) 34.695 16.491 ( -17.415 -1.786 8.816) 19.601 16.649 ( -16.399 -0.333 -7.821) 18.172 18.117 ( -19.133 6.955 6.285) 21.306 18.251 ( -17.523 6.626 -8.084) 20.404 19.301 ( -2.581 -5.085 18.543) 19.400 19.615 ( -0.471 -8.961 -14.510) 17.061 22.012 ( 2.655 5.684 4.006) 7.443 22.099 ( 5.197 4.097 -5.163) 8.393 ======================= Grid point 397 (133/147) ======================= q-point: (-0.38 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( -22.898 8.243 9.979) 26.303 2.304 ( -15.913 7.543 -9.970) 20.237 2.593 ( -10.905 15.325 7.699) 20.323 2.766 ( -4.932 11.261 -9.674) 15.644 3.441 ( -9.914 2.020 9.140) 13.635 3.520 ( -13.096 -1.234 2.238) 13.343 3.915 ( -9.810 -8.600 6.789) 14.707 4.045 ( -12.912 -10.086 -1.301) 16.436 4.262 ( -7.876 0.162 5.083) 9.375 4.333 ( -15.688 15.370 4.479) 22.415 4.439 ( -17.195 -2.402 7.251) 18.815 4.614 ( -18.795 -8.323 -7.101) 21.747 4.917 ( -8.800 5.661 -0.063) 10.464 5.030 ( -8.988 -5.184 -13.903) 17.348 5.419 ( -15.627 8.778 -6.705) 19.136 5.494 ( -12.953 1.018 -11.599) 17.417 6.732 ( -13.711 3.957 7.286) 16.023 6.827 ( -10.578 2.823 -1.845) 11.103 7.117 ( -16.389 4.682 2.794) 17.272 7.134 ( -17.615 2.730 1.297) 17.873 7.712 ( -0.380 -9.495 5.975) 11.225 7.796 ( -0.503 -8.186 -1.720) 8.380 8.624 ( 5.438 0.412 0.729) 5.502 8.659 ( 1.915 3.321 -3.134) 4.952 9.338 ( 6.526 -7.265 7.950) 12.593 9.470 ( 5.174 -7.191 -5.519) 10.438 10.407 ( 15.441 1.465 20.647) 25.824 10.791 ( 20.331 0.883 -15.669) 25.683 11.357 ( 4.394 0.713 2.197) 4.964 11.514 ( 9.390 -3.090 -7.330) 12.307 11.601 ( 17.826 8.129 4.411) 20.082 11.803 ( 17.477 2.529 -11.118) 20.867 12.889 ( 13.157 13.267 13.856) 23.261 13.112 ( 10.020 14.436 -9.903) 20.171 13.900 ( -14.168 -5.417 2.787) 15.422 13.913 ( -7.560 -5.104 1.766) 9.292 14.295 ( -1.809 -2.667 8.676) 9.255 14.441 ( 6.265 0.519 -7.352) 9.674 15.272 ( 13.227 -14.455 2.930) 19.811 15.377 ( 8.037 -16.530 -8.023) 20.055 16.138 ( -20.367 -2.619 9.388) 22.579 16.308 ( -19.236 -1.231 -8.614) 21.112 17.652 ( -24.896 5.996 7.558) 26.700 17.814 ( -23.784 6.322 -9.983) 26.558 19.305 ( -1.634 -7.728 24.045) 25.309 19.691 ( 0.708 -12.066 -16.817) 20.710 22.017 ( 2.907 8.116 6.709) 10.923 22.175 ( 6.422 6.259 -9.797) 13.281 ======================= Grid point 398 (134/147) ======================= q-point: (-0.31 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -20.416 7.072 18.647) 28.540 1.972 ( -12.666 5.690 -18.485) 23.119 2.310 ( -6.413 17.676 18.730) 26.540 2.622 ( -1.421 13.525 -14.891) 20.166 3.277 ( -5.494 1.325 8.549) 10.248 3.343 ( -4.688 2.651 4.569) 7.063 3.671 ( -18.164 10.492 7.390) 22.240 3.863 ( -6.897 -4.376 1.637) 8.330 4.027 ( -6.099 8.225 1.579) 10.361 4.120 ( -14.084 -1.460 7.984) 16.255 4.156 ( -6.965 -4.802 -3.116) 9.016 4.374 ( -9.517 -7.060 -12.646) 17.330 4.786 ( -5.207 -3.148 6.842) 9.156 4.978 ( -2.074 -4.651 -12.845) 13.818 5.132 ( -8.709 5.136 -2.079) 10.322 5.322 ( -6.877 -5.839 -16.811) 19.078 6.446 ( -10.370 7.907 10.295) 16.615 6.611 ( -8.363 6.375 -6.837) 12.543 6.838 ( -7.914 7.293 7.384) 13.052 6.892 ( -6.431 2.880 1.936) 7.307 7.789 ( 1.318 -7.967 4.662) 9.324 7.861 ( 0.786 -8.864 -2.175) 9.160 8.692 ( 3.884 5.134 3.904) 7.529 8.750 ( 6.766 0.816 -2.536) 7.272 9.545 ( 6.861 -11.473 5.261) 14.366 9.634 ( 4.964 -10.855 -3.232) 12.366 10.655 ( 10.499 -1.675 25.741) 27.850 11.109 ( 12.644 0.191 -15.936) 20.344 11.438 ( 4.168 -0.251 5.299) 6.746 11.704 ( 8.399 -3.257 -19.217) 21.224 11.879 ( 16.910 5.876 10.311) 20.659 12.098 ( 15.358 0.253 -11.318) 19.079 12.824 ( -15.071 1.110 5.861) 16.209 12.940 ( -18.366 3.180 -6.230) 19.653 13.682 ( -5.336 -3.285 14.209) 15.529 13.886 ( 0.781 -3.423 -6.838) 7.687 14.403 ( 7.575 -3.829 11.923) 14.636 14.599 ( 9.830 0.345 -9.234) 13.491 15.525 ( -7.041 -2.051 5.452) 9.138 15.648 ( 5.593 -3.284 -7.044) 9.575 15.950 ( 7.193 -0.830 3.469) 8.029 16.069 ( 3.413 -3.574 -7.794) 9.229 17.117 ( -26.941 3.255 7.250) 28.089 17.276 ( -27.945 4.997 -9.972) 30.089 19.347 ( -0.577 -10.631 29.493) 31.356 19.802 ( 1.038 -14.530 -18.879) 23.845 22.003 ( 2.169 10.581 9.710) 14.524 22.243 ( 5.483 8.068 -15.703) 18.487 ======================= Grid point 399 (135/147) ======================= q-point: (-0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 0.000 6.062 26.210) 26.902 1.807 ( 0.000 4.827 -22.533) 23.044 2.121 ( 0.000 19.113 23.790) 30.517 2.509 ( 0.000 16.619 -18.549) 24.905 3.223 ( 0.000 33.281 29.236) 44.299 3.245 ( -0.000 -4.953 8.018) 9.424 3.391 ( -0.000 -4.609 -7.295) 8.629 3.759 ( 0.000 10.970 -22.697) 25.209 3.933 ( -0.000 -0.369 9.806) 9.813 4.023 ( -0.000 -5.574 18.359) 19.187 4.110 ( -0.000 -6.006 -9.002) 10.822 4.369 ( -0.000 -13.580 -17.324) 22.012 4.770 ( -0.000 -7.284 10.358) 12.663 4.989 ( -0.000 -3.727 -13.158) 13.675 5.019 ( 0.000 3.037 5.171) 5.997 5.308 ( -0.000 -6.840 -20.930) 22.019 6.286 ( 0.000 8.519 11.734) 14.501 6.476 ( 0.000 7.439 -8.494) 11.291 6.708 ( 0.000 8.925 11.173) 14.300 6.812 ( 0.000 3.738 0.436) 3.764 7.848 ( -0.000 -4.842 5.097) 7.030 7.936 ( -0.000 -9.227 -3.733) 9.953 8.703 ( 0.000 4.510 7.628) 8.861 8.816 ( 0.000 0.877 -5.030) 5.106 9.699 ( -0.000 -11.459 4.085) 12.165 9.772 ( -0.000 -12.708 -2.594) 12.970 10.797 ( -0.000 -6.519 28.068) 28.815 11.234 ( -0.000 -0.523 -12.908) 12.919 11.489 ( -0.000 -0.271 8.036) 8.041 11.819 ( -0.000 -1.107 -24.438) 24.463 12.136 ( -0.000 -5.262 13.967) 14.925 12.388 ( -0.000 -10.077 -12.443) 16.012 12.521 ( -0.000 -0.071 4.935) 4.936 12.621 ( 0.000 0.040 -5.524) 5.524 13.672 ( 0.000 0.477 15.371) 15.379 13.917 ( -0.000 -0.788 -9.813) 9.845 14.527 ( -0.000 -2.358 12.578) 12.797 14.720 ( 0.000 2.253 -8.446) 8.742 15.351 ( -0.000 -0.250 12.605) 12.608 15.610 ( -0.000 -0.167 -14.673) 14.673 16.131 ( 0.000 2.950 5.797) 6.504 16.326 ( 0.000 6.201 -16.421) 17.553 16.734 ( -0.000 -0.139 9.262) 9.263 16.883 ( -0.000 -0.114 -6.603) 6.604 19.428 ( -0.000 -14.032 32.763) 35.641 19.920 ( -0.000 -16.176 -20.021) 25.739 21.943 ( 0.000 13.173 11.341) 17.382 22.238 ( 0.000 11.135 -20.219) 23.082 ======================= Grid point 406 (136/147) ======================= q-point: (-0.69 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.110 ( -3.003 -0.000 2.670) 4.018 3.159 ( -7.331 -0.000 -2.935) 7.897 3.323 ( -1.837 -0.000 5.871) 6.152 3.465 ( -3.842 -0.000 -9.095) 9.873 4.070 ( -7.696 -0.000 20.323) 21.732 4.161 ( -5.910 -0.000 8.860) 10.650 4.305 ( -7.905 -0.000 -2.281) 8.228 4.351 ( -5.395 -0.000 1.474) 5.593 4.520 ( -2.807 -0.000 -2.452) 3.727 4.611 ( -1.084 -0.000 -8.290) 8.361 4.840 ( -3.772 -0.000 6.250) 7.300 5.088 ( -3.174 -0.000 -17.354) 17.642 5.743 ( -9.286 -0.000 11.636) 14.887 6.027 ( -5.968 -0.000 -16.882) 17.906 6.783 ( -9.092 -0.000 2.748) 9.498 6.852 ( -12.167 -0.000 -3.606) 12.691 7.449 ( -13.092 -0.000 1.111) 13.139 7.465 ( -12.531 -0.000 -0.607) 12.546 7.894 ( -17.342 -0.000 2.544) 17.527 7.895 ( -14.545 -0.000 6.578) 15.964 8.008 ( -11.827 -0.000 -1.919) 11.981 8.022 ( -13.123 -0.000 -7.064) 14.904 8.982 ( -4.621 -0.000 10.655) 11.614 9.105 ( 1.735 0.000 -1.903) 2.575 9.384 ( -5.551 -0.000 1.793) 5.834 9.392 ( -13.125 -0.000 -0.082) 13.126 9.986 ( -8.527 -0.000 -0.423) 8.537 10.040 ( -0.526 -0.000 -5.212) 5.239 10.421 ( 21.426 0.000 7.786) 22.797 10.551 ( 24.739 0.000 -5.017) 25.242 11.137 ( 5.647 0.000 -0.453) 5.665 11.155 ( 6.591 0.000 -0.631) 6.622 11.793 ( 20.514 0.000 4.191) 20.938 11.869 ( 22.473 0.000 -5.144) 23.055 13.478 ( 16.238 0.000 9.841) 18.987 13.624 ( 19.754 0.000 -5.063) 20.393 13.993 ( 1.497 0.000 -1.997) 2.496 14.002 ( 3.803 0.000 -2.369) 4.480 15.978 ( -23.709 -0.000 5.323) 24.300 16.093 ( -23.068 -0.000 -6.877) 24.072 16.934 ( -7.626 -0.000 8.973) 11.776 17.088 ( -6.972 -0.000 -7.298) 10.093 18.682 ( -4.287 -0.000 3.907) 5.800 18.766 ( -3.936 -0.000 -5.118) 6.456 19.357 ( -2.865 -0.000 12.124) 12.457 19.588 ( -3.515 -0.000 -12.205) 12.701 21.948 ( 4.706 0.000 2.477) 5.318 21.985 ( 3.095 0.000 -1.426) 3.407 ======================= Grid point 408 (137/147) ======================= q-point: (-0.62 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( -12.164 3.531 0.918) 12.699 2.995 ( -8.518 3.227 -2.828) 9.538 3.213 ( -8.140 2.915 4.075) 9.558 3.329 ( -8.591 4.135 -8.204) 12.578 3.898 ( -10.314 0.383 21.386) 23.746 4.017 ( -10.751 -0.304 9.981) 14.673 4.123 ( -9.798 -2.937 -3.571) 10.834 4.220 ( -9.764 -2.059 -1.529) 10.095 4.459 ( -5.055 -2.969 -0.809) 5.918 4.590 ( -3.757 -6.672 -10.235) 12.782 4.749 ( -6.591 -2.257 7.882) 10.520 4.997 ( -6.546 0.138 -14.623) 16.022 5.514 ( -15.443 -1.936 14.649) 21.374 5.840 ( -13.752 2.360 -18.108) 22.860 6.478 ( -18.752 15.211 -0.112) 24.146 6.499 ( -18.141 11.152 -2.594) 21.452 7.161 ( -16.691 -5.439 3.976) 17.999 7.245 ( -15.988 -11.930 -4.890) 20.539 7.620 ( -11.425 -0.634 4.574) 12.322 7.688 ( -7.346 -0.934 1.818) 7.625 7.776 ( -10.441 0.876 0.886) 10.515 7.826 ( -11.354 -5.516 -4.198) 13.302 8.781 ( -13.952 -0.143 11.999) 18.402 8.965 ( -15.234 0.638 -7.752) 17.105 9.274 ( 0.727 0.772 3.091) 3.268 9.338 ( -1.637 1.177 -3.430) 3.979 9.911 ( 4.019 0.034 10.521) 11.262 10.113 ( 10.075 0.054 -9.757) 14.025 10.860 ( 23.197 0.697 10.762) 25.581 11.037 ( 25.397 1.202 -5.491) 26.012 11.232 ( 5.287 1.334 -3.035) 6.240 11.270 ( 5.809 -0.505 -4.739) 7.514 12.249 ( 27.589 2.795 7.193) 28.648 12.364 ( 28.954 0.392 -5.785) 29.529 13.769 ( 12.465 0.676 11.887) 17.238 13.968 ( 9.631 1.885 -9.356) 13.559 14.089 ( 15.540 1.244 2.287) 15.756 14.148 ( 13.255 0.297 -4.159) 13.895 15.450 ( -33.386 -4.804 5.956) 34.252 15.576 ( -32.931 -5.834 -7.427) 34.258 16.750 ( -12.157 -0.327 9.259) 15.285 16.913 ( -11.593 0.083 -7.928) 14.045 18.521 ( -12.009 2.299 4.730) 13.110 18.621 ( -10.808 2.196 -5.868) 12.493 19.301 ( -3.304 -0.884 12.884) 13.330 19.533 ( -2.843 -1.977 -11.509) 12.019 22.028 ( 3.654 1.810 0.859) 4.167 22.044 ( 3.959 -0.366 -0.744) 4.045 ======================= Grid point 409 (138/147) ======================= q-point: (-0.54 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( -18.343 5.025 3.905) 19.415 2.750 ( -13.954 6.119 -7.010) 16.772 2.999 ( -10.951 4.697 3.519) 12.424 3.111 ( -9.225 7.803 -7.375) 14.156 3.678 ( -12.412 0.272 18.349) 22.154 3.774 ( -13.289 1.385 7.929) 15.536 3.980 ( -11.061 -9.336 -3.638) 14.925 4.033 ( -10.479 -2.437 -3.409) 11.286 4.365 ( -6.805 -3.235 4.724) 8.893 4.547 ( -7.452 -9.628 -10.636) 16.167 4.618 ( -9.803 -3.373 8.507) 13.411 4.832 ( -10.843 0.892 -8.114) 13.572 5.208 ( -17.923 -4.068 9.575) 20.723 5.463 ( -20.713 8.539 -12.619) 25.713 5.982 ( -19.821 15.662 -1.382) 25.300 6.039 ( -20.428 13.465 -7.360) 25.550 6.929 ( -11.591 -5.040 4.289) 13.347 7.025 ( -13.964 -7.662 -5.554) 16.869 7.432 ( -11.055 -0.475 5.209) 12.230 7.526 ( -15.709 0.290 -4.049) 16.225 7.612 ( -6.026 -3.352 7.268) 10.019 7.685 ( -5.685 -6.736 -0.354) 8.821 8.594 ( -3.824 -0.540 6.242) 7.340 8.712 ( -8.044 0.216 -5.972) 10.020 9.261 ( -2.422 1.422 2.431) 3.715 9.316 ( 1.580 -1.954 -3.213) 4.078 10.130 ( 16.887 1.318 16.232) 23.460 10.411 ( 20.173 0.480 -11.623) 23.287 11.230 ( 13.034 -1.071 8.592) 15.648 11.320 ( 7.119 2.194 -2.589) 7.887 11.412 ( 12.357 1.991 -5.161) 13.539 11.486 ( 20.923 1.224 -9.873) 23.168 12.747 ( 27.365 8.241 11.599) 30.843 12.913 ( 29.109 3.998 -6.108) 30.011 13.919 ( 4.395 -0.072 6.842) 8.133 14.021 ( 0.100 3.182 -4.522) 5.530 14.405 ( 12.458 7.572 1.834) 14.694 14.469 ( 14.194 9.183 -4.571) 17.512 14.863 ( -27.470 -18.520 8.166) 34.121 15.032 ( -25.692 -20.352 -9.561) 34.142 16.472 ( -17.629 -0.864 9.554) 20.070 16.645 ( -16.700 -0.144 -8.652) 18.808 18.196 ( -19.762 4.178 6.330) 21.167 18.326 ( -17.992 3.942 -7.525) 19.897 19.250 ( -3.107 -2.396 15.725) 16.207 19.515 ( -1.639 -5.255 -12.116) 13.308 22.071 ( 3.103 3.021 2.681) 5.094 22.134 ( 5.490 1.164 -3.827) 6.793 ======================= Grid point 410 (139/147) ======================= q-point: (-0.46 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -23.937 5.989 8.729) 26.174 2.400 ( -17.706 5.941 -12.078) 22.241 2.754 ( -10.095 7.941 7.874) 15.065 2.901 ( -6.298 8.514 -7.344) 12.887 3.457 ( -9.899 0.287 9.389) 13.647 3.507 ( -14.056 -0.295 5.560) 15.118 3.829 ( -9.055 -5.057 -1.267) 10.449 3.885 ( -9.748 -9.110 -4.066) 13.948 4.263 ( -5.870 -1.822 8.372) 10.386 4.383 ( -17.625 -7.274 -3.927) 19.468 4.400 ( -15.190 -1.884 8.053) 17.295 4.589 ( -11.056 3.794 -3.583) 12.226 4.952 ( -10.831 -5.649 -0.495) 12.226 5.063 ( -11.373 13.144 -5.012) 18.089 5.544 ( -17.699 6.903 -5.408) 19.752 5.586 ( -16.858 13.003 -10.485) 23.732 6.759 ( -9.756 0.304 4.008) 10.551 6.839 ( -8.927 -1.532 -3.660) 9.769 7.160 ( -15.991 1.880 1.946) 16.218 7.170 ( -16.985 1.982 0.757) 17.117 7.583 ( -1.364 -7.692 8.900) 11.842 7.686 ( -0.660 -7.733 -1.289) 7.868 8.629 ( 6.002 0.369 1.478) 6.192 8.685 ( 3.614 0.526 -4.419) 5.732 9.260 ( 2.287 -3.985 7.981) 9.209 9.389 ( 3.570 -4.485 -5.666) 8.060 10.440 ( 15.799 2.835 20.868) 26.327 10.806 ( 20.490 1.006 -12.893) 24.230 11.357 ( 3.923 -0.255 -0.825) 4.017 11.479 ( 8.453 -2.016 -9.040) 12.539 11.692 ( 17.449 4.932 2.471) 18.300 11.837 ( 17.243 2.118 -9.377) 19.742 13.079 ( 11.462 13.666 14.654) 23.084 13.298 ( 10.406 11.938 -8.327) 17.893 13.827 ( -19.186 -5.414 2.702) 20.118 13.842 ( -16.205 -4.647 1.191) 16.900 14.244 ( -6.250 -4.202 9.038) 11.765 14.416 ( 2.199 -3.950 -10.006) 10.980 15.115 ( 23.389 -8.273 2.946) 24.984 15.199 ( 22.892 -8.920 -6.545) 25.425 16.109 ( -20.459 -1.548 10.145) 22.888 16.295 ( -19.860 -0.712 -9.555) 22.050 17.726 ( -26.369 4.469 8.125) 27.952 17.890 ( -24.794 4.496 -9.513) 26.935 19.224 ( -1.945 -4.129 20.232) 20.741 19.546 ( -0.198 -8.618 -13.769) 16.245 22.105 ( 3.188 4.728 5.238) 7.743 22.231 ( 5.949 2.330 -7.949) 10.198 ======================= Grid point 411 (140/147) ======================= q-point: (-0.38 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -21.512 5.812 17.664) 28.435 2.049 ( -13.611 5.218 -18.411) 23.483 2.519 ( -6.652 12.451 16.042) 21.369 2.768 ( -1.969 7.873 -10.976) 13.651 3.264 ( -9.598 -1.126 5.907) 11.327 3.337 ( -4.538 -2.271 -1.078) 5.188 3.714 ( -8.071 -3.327 2.181) 8.998 3.782 ( -5.588 -6.268 -0.798) 8.435 4.066 ( -12.571 -2.514 1.634) 12.923 4.083 ( -14.993 -3.378 1.764) 15.470 4.224 ( -2.281 5.112 12.223) 13.444 4.394 ( -3.954 11.962 -4.890) 13.515 4.786 ( -9.971 2.466 5.750) 11.771 4.918 ( 0.010 -2.760 -10.143) 10.512 5.231 ( -12.048 3.626 -8.706) 15.300 5.271 ( -8.064 4.683 -12.593) 15.669 6.539 ( -9.745 5.308 8.703) 14.102 6.683 ( -6.998 3.803 -6.348) 10.185 6.915 ( -7.615 3.441 3.442) 9.038 6.928 ( -6.086 2.203 1.364) 6.615 7.646 ( 0.549 -11.142 7.468) 13.424 7.744 ( 0.443 -8.487 -1.653) 8.658 8.758 ( 5.143 3.452 0.579) 6.221 8.766 ( 6.784 2.211 -0.424) 7.148 9.391 ( 5.061 -10.361 6.943) 13.460 9.504 ( 3.675 -7.879 -4.607) 9.839 10.662 ( 9.386 2.214 25.577) 27.335 11.121 ( 12.685 1.197 -13.326) 18.438 11.430 ( 3.592 -0.410 -0.669) 3.677 11.652 ( 7.388 -3.808 -16.170) 18.181 11.961 ( 14.315 5.236 3.619) 15.666 12.111 ( 13.071 1.262 -9.444) 16.175 12.846 ( -23.323 1.912 7.029) 24.434 12.980 ( -27.048 2.541 -7.096) 28.079 13.653 ( 1.302 -0.984 14.243) 14.336 13.845 ( 5.020 -2.622 -5.402) 7.826 14.340 ( 7.741 -4.814 13.183) 16.028 14.582 ( 10.059 -2.477 -12.744) 16.423 15.508 ( -4.484 -0.563 6.378) 7.817 15.611 ( 12.426 -2.096 -3.230) 13.009 15.948 ( 9.035 0.409 0.029) 9.044 16.027 ( 6.896 -2.565 -6.873) 10.068 17.161 ( -29.532 2.858 8.852) 30.962 17.337 ( -29.917 3.791 -10.225) 31.843 19.234 ( -0.712 -6.031 25.116) 25.839 19.620 ( 0.502 -11.474 -15.819) 19.549 22.120 ( 2.233 6.506 7.998) 10.549 22.316 ( 4.513 2.992 -12.553) 13.671 ======================= Grid point 412 (141/147) ======================= q-point: (-0.31 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 0.000 5.793 24.933) 25.597 1.875 ( 0.000 4.901 -22.106) 22.642 2.357 ( 0.000 15.095 21.248) 26.064 2.694 ( 0.000 10.133 -15.124) 18.205 3.186 ( -0.000 -3.539 7.373) 8.179 3.327 ( -0.000 -4.498 -7.404) 8.663 3.570 ( 0.000 12.232 14.370) 18.871 3.786 ( -0.000 -3.991 -4.438) 5.969 3.914 ( -0.000 -2.196 6.308) 6.679 4.013 ( -0.000 -7.495 -4.348) 8.665 4.119 ( 0.000 15.571 10.135) 18.579 4.292 ( 0.000 5.390 -9.278) 10.730 4.688 ( -0.000 -4.448 12.430) 13.202 4.951 ( -0.000 -1.855 -15.238) 15.350 5.081 ( 0.000 4.704 -5.987) 7.614 5.203 ( -0.000 -5.850 -14.645) 15.770 6.394 ( 0.000 6.945 10.795) 12.836 6.571 ( 0.000 6.098 -7.951) 10.020 6.815 ( 0.000 5.901 6.896) 9.076 6.860 ( 0.000 3.034 1.283) 3.295 7.735 ( -0.000 -11.402 5.140) 12.507 7.809 ( -0.000 -8.629 -1.533) 8.764 8.773 ( 0.000 5.449 4.473) 7.050 8.831 ( 0.000 1.389 -2.118) 2.533 9.531 ( -0.000 -12.469 4.861) 13.382 9.610 ( -0.000 -10.357 -2.738) 10.713 10.752 ( -0.000 -0.435 28.044) 28.048 11.239 ( 0.000 1.013 -12.796) 12.836 11.478 ( -0.000 -0.989 1.929) 2.167 11.772 ( -0.000 -4.768 -22.203) 22.709 12.124 ( 0.000 1.866 6.358) 6.626 12.300 ( -0.000 -3.280 -10.042) 10.564 12.520 ( -0.000 -0.065 5.011) 5.011 12.622 ( 0.000 0.038 -5.606) 5.606 13.685 ( 0.000 1.317 15.205) 15.262 13.907 ( -0.000 -0.602 -7.759) 7.782 14.477 ( -0.000 -4.408 14.584) 15.235 14.722 ( -0.000 -1.370 -11.984) 12.062 15.348 ( -0.000 -0.236 12.663) 12.665 15.607 ( -0.000 -0.159 -14.736) 14.737 16.173 ( 0.000 3.050 9.212) 9.703 16.405 ( 0.000 5.124 -16.504) 17.281 16.732 ( -0.000 -0.131 9.288) 9.289 16.882 ( -0.000 -0.108 -6.615) 6.616 19.277 ( -0.000 -8.200 28.733) 29.880 19.714 ( -0.000 -13.539 -17.709) 22.292 22.091 ( 0.000 8.425 9.984) 13.064 22.339 ( 0.000 4.289 -16.143) 16.703 ======================= Grid point 421 (142/147) ======================= q-point: (-0.62 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( -18.604 -0.000 3.553) 18.941 2.793 ( -14.621 -0.000 -8.760) 17.044 3.034 ( -11.230 -0.000 5.630) 12.563 3.167 ( -9.385 -0.000 -8.672) 12.778 3.682 ( -12.392 -0.000 22.973) 26.102 3.790 ( -13.554 -0.000 6.701) 15.120 3.903 ( -10.623 -0.000 -2.653) 10.950 4.023 ( -10.430 -0.000 -3.268) 10.930 4.340 ( -6.190 -0.000 -0.495) 6.210 4.462 ( -7.291 -0.000 -9.252) 11.780 4.603 ( -8.587 -0.000 7.460) 11.375 4.838 ( -10.726 -0.000 -14.390) 17.947 5.176 ( -18.217 -0.000 18.987) 26.313 5.522 ( -19.189 -0.000 -16.846) 25.535 6.107 ( -24.014 -0.000 0.684) 24.024 6.152 ( -21.734 -0.000 -4.486) 22.192 6.891 ( -9.540 -0.000 0.546) 9.556 6.945 ( -11.030 -0.000 -4.785) 12.023 7.429 ( -10.538 -0.000 5.473) 11.874 7.528 ( -15.529 -0.000 -4.316) 16.118 7.613 ( -7.357 -0.000 3.691) 8.231 7.616 ( -3.889 -0.000 3.514) 5.241 8.590 ( -3.835 -0.000 6.823) 7.827 8.714 ( -8.743 -0.000 -5.941) 10.570 9.273 ( -4.182 -0.000 0.861) 4.270 9.301 ( 1.713 0.000 -2.092) 2.703 10.140 ( 17.470 0.000 16.271) 23.873 10.414 ( 20.291 0.000 -10.935) 23.050 11.221 ( 12.054 0.000 7.640) 14.272 11.335 ( 5.881 0.000 -5.143) 7.813 11.426 ( 13.473 0.000 -3.444) 13.906 11.496 ( 21.602 0.000 -8.690) 23.284 12.809 ( 28.925 0.000 9.930) 30.582 12.937 ( 29.978 0.000 -3.981) 30.241 13.919 ( 4.128 0.000 7.213) 8.311 14.048 ( 0.942 0.000 -7.141) 7.203 14.517 ( 23.456 0.000 2.132) 23.553 14.517 ( 21.039 0.000 1.110) 21.068 14.726 ( -37.279 -0.000 3.378) 37.432 14.848 ( -36.775 -0.000 -9.088) 37.881 16.467 ( -17.699 -0.000 9.781) 20.222 16.644 ( -16.813 -0.000 -8.940) 19.042 18.226 ( -20.013 -0.000 6.340) 20.993 18.354 ( -18.205 -0.000 -7.295) 19.613 19.234 ( -3.229 -0.000 14.514) 14.869 19.477 ( -2.089 -0.000 -11.071) 11.267 22.093 ( 3.112 0.000 1.875) 3.633 22.140 ( 5.711 0.000 -3.021) 6.461 ======================= Grid point 423 (143/147) ======================= q-point: (-0.54 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -24.644 2.207 8.285) 26.093 2.459 ( -18.740 2.289 -13.241) 23.060 2.820 ( -9.790 2.107 8.202) 12.944 2.990 ( -7.607 3.692 -9.875) 13.001 3.456 ( -10.657 -0.108 15.916) 19.154 3.511 ( -14.940 0.480 6.044) 16.123 3.741 ( -8.530 -4.658 -2.583) 10.056 3.842 ( -7.980 -0.156 -3.907) 8.887 4.227 ( -7.089 -1.939 1.556) 7.512 4.283 ( -15.073 -4.793 -3.078) 16.114 4.405 ( -11.088 1.308 5.957) 12.655 4.611 ( -10.360 -0.310 -11.636) 15.583 4.891 ( -11.567 -2.456 16.259) 20.104 5.201 ( -11.695 5.223 -14.250) 19.161 5.649 ( -20.996 5.993 0.941) 21.855 5.735 ( -18.485 6.576 -7.950) 21.169 6.754 ( -6.918 -0.571 0.011) 6.942 6.796 ( -6.665 -3.146 -4.032) 8.401 7.177 ( -15.219 0.580 1.473) 15.301 7.185 ( -17.205 0.420 1.024) 17.241 7.523 ( -2.439 -1.141 8.166) 8.599 7.595 ( -0.966 -4.513 0.779) 4.680 8.634 ( 6.834 0.282 1.149) 6.935 8.683 ( 4.718 -0.363 -3.610) 5.952 9.226 ( -0.593 -1.138 7.331) 7.443 9.347 ( 2.624 -1.523 -5.610) 6.378 10.473 ( 16.355 1.482 20.915) 26.592 10.815 ( 20.486 0.297 -9.968) 22.784 11.355 ( 4.631 -0.054 -2.787) 5.405 11.459 ( 7.162 -0.795 -10.955) 13.112 11.737 ( 17.391 1.643 1.688) 17.550 11.857 ( 16.891 0.736 -8.332) 18.848 13.238 ( 12.794 7.581 13.924) 20.372 13.420 ( 17.144 4.896 -4.514) 18.392 13.753 ( -29.236 -4.022 3.986) 29.780 13.798 ( -26.285 -1.713 -1.625) 26.391 14.199 ( -8.009 -1.684 7.280) 10.953 14.356 ( 3.095 -3.366 -10.442) 11.399 15.042 ( 28.577 -2.453 3.554) 28.902 15.124 ( 31.372 -2.473 -6.211) 32.076 16.095 ( -20.514 -0.504 10.490) 23.046 16.289 ( -20.137 -0.231 -10.040) 22.502 17.770 ( -27.267 1.670 8.376) 28.574 17.934 ( -25.469 1.642 -9.156) 27.114 19.187 ( -2.002 -1.238 17.460) 17.618 19.462 ( -0.692 -3.246 -11.447) 11.919 22.149 ( 3.257 1.626 3.929) 5.356 22.248 ( 5.705 0.451 -6.479) 8.644 ======================= Grid point 424 (144/147) ======================= q-point: (-0.46 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -22.261 3.303 17.251) 28.356 2.108 ( -14.453 3.177 -18.589) 23.760 2.647 ( -5.672 5.779 12.286) 14.714 2.852 ( -3.361 4.509 -10.225) 11.670 3.253 ( -11.036 -0.490 5.842) 12.496 3.306 ( -5.610 -1.800 2.207) 6.291 3.631 ( -7.290 -6.177 1.856) 9.734 3.746 ( -1.865 -0.043 -4.088) 4.493 4.002 ( -13.990 -4.836 2.489) 15.010 4.036 ( -13.514 -3.010 -0.475) 13.853 4.282 ( 0.292 4.418 10.852) 11.721 4.515 ( -0.091 2.739 -7.750) 8.221 4.758 ( -7.373 -5.334 7.369) 11.710 4.984 ( -6.007 8.165 -9.987) 14.230 5.265 ( -14.183 6.192 0.885) 15.501 5.410 ( -9.136 9.183 -12.842) 18.240 6.592 ( -8.588 2.413 6.899) 11.277 6.711 ( -4.370 0.134 -5.643) 7.138 6.932 ( -8.973 -0.546 0.671) 9.015 6.950 ( -6.192 1.163 -1.192) 6.412 7.523 ( -0.292 -5.570 9.932) 11.391 7.630 ( 0.048 -7.318 -0.825) 7.364 8.781 ( 7.579 1.261 0.962) 7.743 8.811 ( 7.126 2.703 -1.937) 7.864 9.272 ( 2.457 -6.410 9.133) 11.425 9.419 ( 2.567 -4.373 -6.268) 8.062 10.701 ( 9.096 2.836 25.788) 27.492 11.133 ( 12.302 0.281 -6.472) 13.903 11.434 ( 4.243 1.001 -8.953) 9.958 11.604 ( 6.151 -3.038 -15.812) 17.236 12.018 ( 13.248 2.951 0.552) 13.584 12.125 ( 11.896 0.662 -8.083) 14.398 12.871 ( -29.707 1.470 7.203) 30.603 13.008 ( -33.125 1.445 -7.277) 33.946 13.651 ( 5.977 0.515 13.423) 14.702 13.813 ( 8.683 -1.861 -2.871) 9.333 14.282 ( 8.092 -3.242 13.238) 15.850 14.545 ( 11.066 -2.354 -14.913) 18.718 15.506 ( -5.496 0.220 6.793) 8.741 15.589 ( 17.847 -1.156 -0.352) 17.888 15.958 ( 7.232 0.923 -2.768) 7.799 15.997 ( 12.129 -1.735 -5.902) 13.600 17.193 ( -31.378 1.705 9.774) 32.909 17.378 ( -31.262 2.093 -10.167) 32.940 19.176 ( -0.717 -2.604 20.981) 21.154 19.493 ( 0.169 -6.663 -12.562) 14.221 22.186 ( 2.218 3.206 6.040) 7.188 22.339 ( 3.911 0.676 -9.899) 10.665 ======================= Grid point 425 (145/147) ======================= q-point: (-0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 0.000 4.181 24.075) 24.436 1.937 ( 0.000 3.741 -21.933) 22.250 2.534 ( 0.000 10.134 16.546) 19.402 2.795 ( 0.000 5.002 -11.992) 12.993 3.149 ( -0.000 -1.881 6.320) 6.594 3.272 ( -0.000 -3.246 -6.631) 7.383 3.584 ( -0.000 -5.306 9.520) 10.899 3.757 ( -0.000 -0.048 -6.229) 6.229 3.877 ( -0.000 -2.866 3.078) 4.205 3.916 ( -0.000 -6.011 -1.083) 6.108 4.259 ( 0.000 6.451 14.032) 15.444 4.504 ( 0.000 14.676 -12.155) 19.056 4.645 ( -0.000 -2.048 14.128) 14.276 4.935 ( -0.000 -0.592 -16.341) 16.352 5.077 ( 0.000 1.039 2.924) 3.103 5.262 ( 0.000 10.078 -15.475) 18.467 6.474 ( 0.000 4.469 10.133) 11.075 6.641 ( 0.000 3.937 -7.562) 8.525 6.859 ( 0.000 0.127 2.689) 2.692 6.891 ( 0.000 1.528 -1.100) 1.883 7.577 ( -0.000 -9.744 9.197) 13.399 7.688 ( -0.000 -8.710 -1.605) 8.856 8.842 ( 0.000 3.608 2.004) 4.127 8.861 ( 0.000 3.650 -0.435) 3.675 9.368 ( -0.000 -10.636 7.192) 12.839 9.489 ( -0.000 -7.118 -5.068) 8.738 10.771 ( 0.000 2.668 28.065) 28.191 11.251 ( 0.000 0.301 -4.742) 4.752 11.476 ( 0.000 1.200 -10.027) 10.099 11.704 ( -0.000 -4.864 -20.039) 20.621 12.158 ( 0.000 2.444 1.540) 2.888 12.277 ( -0.000 -0.761 -8.295) 8.330 12.519 ( -0.000 -0.045 5.073) 5.073 12.622 ( 0.000 0.027 -5.672) 5.673 13.707 ( 0.000 1.733 14.478) 14.581 13.900 ( -0.000 -0.470 -5.411) 5.432 14.417 ( -0.000 -3.962 15.402) 15.904 14.695 ( -0.000 -2.239 -14.618) 14.788 15.345 ( -0.000 -0.167 12.710) 12.711 15.605 ( -0.000 -0.113 -14.788) 14.789 16.212 ( 0.000 2.458 11.701) 11.956 16.465 ( 0.000 3.453 -15.933) 16.303 16.731 ( -0.000 -0.093 9.310) 9.310 16.880 ( -0.000 -0.077 -6.625) 6.626 19.193 ( -0.000 -4.196 23.905) 24.271 19.552 ( -0.000 -9.554 -14.174) 17.093 22.181 ( 0.000 4.771 7.678) 9.040 22.373 ( 0.000 1.077 -12.408) 12.455 ======================= Grid point 436 (146/147) ======================= q-point: (-0.54 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -22.532 -0.000 17.157) 28.320 2.131 ( -14.791 -0.000 -18.705) 23.846 2.684 ( -4.999 -0.000 10.651) 11.766 2.886 ( -4.217 -0.000 -11.680) 12.418 3.250 ( -11.467 -0.000 5.737) 12.822 3.293 ( -5.972 -0.000 5.173) 7.901 3.585 ( -6.650 -0.000 3.688) 7.604 3.749 ( -1.592 -0.000 -5.065) 5.309 3.965 ( -13.539 -0.000 3.484) 13.980 4.013 ( -12.512 -0.000 -1.087) 12.559 4.325 ( 1.150 0.000 5.048) 5.177 4.514 ( -0.034 -0.000 -11.612) 11.612 4.716 ( -7.190 -0.000 17.288) 18.724 5.038 ( -8.637 -0.000 -16.154) 18.318 5.339 ( -12.848 -0.000 3.940) 13.439 5.475 ( -9.926 -0.000 -9.980) 14.075 6.608 ( -7.928 -0.000 5.836) 9.845 6.704 ( -2.480 -0.000 -4.598) 5.224 6.924 ( -10.422 -0.000 0.365) 10.428 6.959 ( -6.254 -0.000 -3.202) 7.026 7.491 ( -0.727 -0.000 9.093) 9.122 7.571 ( -0.073 -0.000 0.839) 0.842 8.791 ( 7.848 0.000 1.192) 7.939 8.831 ( 8.673 0.000 -2.751) 9.099 9.226 ( 0.889 0.000 10.275) 10.313 9.388 ( 2.054 0.000 -6.927) 7.225 10.724 ( 9.090 0.000 25.917) 27.465 11.133 ( 11.910 0.000 -2.841) 12.244 11.446 ( 5.152 0.000 -13.234) 14.201 11.579 ( 5.310 0.000 -15.589) 16.468 12.039 ( 13.021 0.000 -0.550) 13.033 12.130 ( 11.484 0.000 -7.436) 13.681 12.882 ( -32.213 -0.000 7.137) 32.994 13.018 ( -35.356 -0.000 -7.263) 36.094 13.657 ( 7.531 0.000 12.704) 14.768 13.799 ( 10.331 0.000 -1.303) 10.413 14.259 ( 8.238 0.000 13.037) 15.422 14.527 ( 11.656 0.000 -15.632) 19.499 15.509 ( -7.257 -0.000 6.773) 9.926 15.580 ( 20.817 0.000 0.752) 20.831 15.969 ( -5.006 -0.000 -4.457) 6.703 15.981 ( 25.548 0.000 -4.846) 26.003 17.205 ( -32.048 -0.000 10.075) 33.594 17.393 ( -31.743 -0.000 -10.109) 33.314 19.158 ( -0.702 -0.000 19.221) 19.234 19.445 ( 0.054 0.000 -11.108) 11.108 22.209 ( 2.205 0.000 5.161) 5.612 22.342 ( 3.718 0.000 -8.824) 9.575 ======================= Grid point 438 (147/147) ======================= q-point: (-0.46 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 0.000 1.527 23.673) 23.722 1.973 ( 0.000 1.416 -21.937) 21.982 2.627 ( 0.000 3.318 12.562) 12.993 2.842 ( 0.000 1.819 -11.365) 11.510 3.132 ( -0.000 -0.529 5.486) 5.512 3.241 ( -0.000 -1.192 -5.852) 5.972 3.517 ( -0.000 -2.938 13.800) 14.109 3.763 ( 0.000 0.414 -7.786) 7.797 3.842 ( -0.000 -1.824 1.836) 2.588 3.861 ( -0.000 -1.775 -0.041) 1.775 4.343 ( 0.000 5.233 8.575) 10.046 4.553 ( -0.000 -3.496 -11.838) 12.343 4.627 ( -0.000 -0.549 15.045) 15.055 4.931 ( -0.000 -0.101 -16.775) 16.775 5.182 ( 0.000 8.761 6.882) 11.141 5.372 ( 0.000 4.210 -12.603) 13.287 6.515 ( 0.000 1.536 9.795) 9.915 6.677 ( 0.000 1.356 -7.360) 7.484 6.831 ( -0.000 -2.523 2.318) 3.426 6.906 ( 0.000 0.581 -5.364) 5.395 7.493 ( -0.000 -2.438 9.844) 10.141 7.588 ( -0.000 -4.688 0.069) 4.689 8.872 ( 0.000 1.088 2.408) 2.642 8.917 ( 0.000 2.917 -2.288) 3.707 9.255 ( -0.000 -4.916 10.152) 11.280 9.419 ( -0.000 -2.728 -6.933) 7.450 10.806 ( 0.000 1.688 28.322) 28.372 11.247 ( -0.000 -0.502 3.264) 3.302 11.507 ( 0.000 2.314 -21.367) 21.492 11.645 ( -0.000 -3.108 -17.743) 18.014 12.184 ( 0.000 1.090 -0.673) 1.281 12.270 ( -0.000 -0.245 -7.265) 7.269 12.519 ( -0.000 -0.016 5.107) 5.107 12.622 ( 0.000 0.010 -5.710) 5.710 13.727 ( 0.000 0.928 13.624) 13.656 13.894 ( -0.000 -0.273 -3.420) 3.431 14.377 ( -0.000 -1.587 15.577) 15.658 14.670 ( -0.000 -1.012 -16.052) 16.084 15.343 ( -0.000 -0.060 12.737) 12.737 15.604 ( -0.000 -0.041 -14.817) 14.817 16.236 ( 0.000 0.949 12.913) 12.948 16.498 ( 0.000 1.231 -15.502) 15.551 16.730 ( -0.000 -0.034 9.322) 9.322 16.880 ( -0.000 -0.028 -6.631) 6.631 19.156 ( -0.000 -1.209 20.551) 20.587 19.459 ( -0.000 -3.574 -11.485) 12.029 22.225 ( 0.000 1.608 5.966) 6.179 22.379 ( 0.000 0.060 -10.134) 10.134 =================== 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 3/40560 10.0 2207.729 4814.618 3011.289 0.000 0.000 0.000 3/40560 20.0 969.151 1051.098 1101.711 0.000 0.000 0.000 3/40560 30.0 388.614 352.399 411.713 0.000 0.000 0.000 3/40560 40.0 208.170 173.856 216.372 0.000 0.000 0.000 3/40560 50.0 132.980 106.502 136.764 0.000 0.000 0.000 3/40560 60.0 94.189 73.684 95.978 0.000 0.000 0.000 3/40560 70.0 71.468 55.080 72.173 0.000 0.000 0.000 3/40560 80.0 56.950 43.423 57.011 0.000 0.000 0.000 3/40560 90.0 47.053 35.572 46.709 0.000 0.000 0.000 3/40560 100.0 39.956 29.991 39.351 0.000 0.000 0.000 3/40560 110.0 34.661 25.853 33.884 0.000 0.000 0.000 3/40560 120.0 30.580 22.679 29.689 0.000 0.000 0.000 3/40560 130.0 27.351 20.178 26.385 0.000 0.000 0.000 3/40560 140.0 24.738 18.163 23.724 0.000 0.000 0.000 3/40560 150.0 22.584 16.508 21.542 0.000 0.000 0.000 3/40560 160.0 20.780 15.127 19.722 0.000 0.000 0.000 3/40560 170.0 19.248 13.959 18.185 0.000 0.000 0.000 3/40560 180.0 17.931 12.958 16.870 0.000 0.000 0.000 3/40560 190.0 16.788 12.093 15.733 0.000 0.000 0.000 3/40560 200.0 15.786 11.337 14.742 0.000 0.000 0.000 3/40560 210.0 14.901 10.672 13.870 0.000 0.000 0.000 3/40560 220.0 14.113 10.082 13.097 0.000 0.000 0.000 3/40560 230.0 13.407 9.555 12.407 0.000 0.000 0.000 3/40560 240.0 12.770 9.082 11.788 0.000 0.000 0.000 3/40560 250.0 12.193 8.655 11.229 0.000 0.000 0.000 3/40560 260.0 11.668 8.267 10.722 0.000 0.000 0.000 3/40560 270.0 11.188 7.913 10.260 0.000 0.000 0.000 3/40560 280.0 10.747 7.590 9.838 0.000 0.000 0.000 3/40560 290.0 10.340 7.292 9.450 0.000 0.000 0.000 3/40560 300.0 9.964 7.018 9.092 0.000 0.000 0.000 3/40560 310.0 9.615 6.764 8.761 0.000 0.000 0.000 3/40560 320.0 9.291 6.529 8.454 0.000 0.000 0.000 3/40560 330.0 8.988 6.309 8.168 0.000 0.000 0.000 3/40560 340.0 8.705 6.105 7.902 0.000 0.000 0.000 3/40560 350.0 8.440 5.913 7.653 0.000 0.000 0.000 3/40560 360.0 8.191 5.734 7.419 0.000 0.000 0.000 3/40560 370.0 7.956 5.566 7.200 0.000 0.000 0.000 3/40560 380.0 7.735 5.407 6.994 0.000 0.000 0.000 3/40560 390.0 7.526 5.257 6.799 0.000 0.000 0.000 3/40560 400.0 7.329 5.116 6.615 0.000 0.000 0.000 3/40560 410.0 7.141 4.982 6.442 0.000 0.000 0.000 3/40560 420.0 6.963 4.856 6.277 0.000 0.000 0.000 3/40560 430.0 6.795 4.735 6.121 0.000 0.000 0.000 3/40560 440.0 6.634 4.621 5.972 0.000 0.000 0.000 3/40560 450.0 6.480 4.512 5.831 0.000 0.000 0.000 3/40560 460.0 6.334 4.409 5.696 0.000 0.000 0.000 3/40560 470.0 6.195 4.310 5.568 0.000 0.000 0.000 3/40560 480.0 6.061 4.215 5.445 0.000 0.000 0.000 3/40560 490.0 5.933 4.125 5.328 0.000 0.000 0.000 3/40560 500.0 5.811 4.038 5.216 0.000 0.000 0.000 3/40560 510.0 5.693 3.956 5.108 0.000 0.000 0.000 3/40560 520.0 5.581 3.876 5.005 0.000 0.000 0.000 3/40560 530.0 5.472 3.800 4.907 0.000 0.000 0.000 3/40560 540.0 5.368 3.726 4.812 0.000 0.000 0.000 3/40560 550.0 5.268 3.656 4.720 0.000 0.000 0.000 3/40560 560.0 5.172 3.588 4.632 0.000 0.000 0.000 3/40560 570.0 5.079 3.523 4.548 0.000 0.000 0.000 3/40560 580.0 4.989 3.460 4.466 0.000 0.000 0.000 3/40560 590.0 4.903 3.399 4.388 0.000 0.000 0.000 3/40560 600.0 4.819 3.341 4.312 0.000 0.000 0.000 3/40560 610.0 4.739 3.284 4.239 0.000 0.000 0.000 3/40560 620.0 4.661 3.230 4.168 0.000 0.000 0.000 3/40560 630.0 4.585 3.177 4.100 0.000 0.000 0.000 3/40560 640.0 4.512 3.126 4.033 0.000 0.000 0.000 3/40560 650.0 4.442 3.076 3.969 0.000 0.000 0.000 3/40560 660.0 4.373 3.028 3.907 0.000 0.000 0.000 3/40560 670.0 4.307 2.982 3.847 0.000 0.000 0.000 3/40560 680.0 4.242 2.937 3.789 0.000 0.000 0.000 3/40560 690.0 4.180 2.893 3.733 0.000 0.000 0.000 3/40560 700.0 4.119 2.851 3.678 0.000 0.000 0.000 3/40560 710.0 4.060 2.810 3.625 0.000 0.000 0.000 3/40560 720.0 4.003 2.770 3.573 0.000 0.000 0.000 3/40560 730.0 3.947 2.731 3.523 0.000 0.000 0.000 3/40560 740.0 3.893 2.693 3.474 0.000 0.000 0.000 3/40560 750.0 3.841 2.657 3.427 0.000 0.000 0.000 3/40560 760.0 3.790 2.621 3.381 0.000 0.000 0.000 3/40560 770.0 3.740 2.586 3.336 0.000 0.000 0.000 3/40560 780.0 3.691 2.553 3.292 0.000 0.000 0.000 3/40560 790.0 3.644 2.520 3.250 0.000 0.000 0.000 3/40560 800.0 3.598 2.487 3.208 0.000 0.000 0.000 3/40560 810.0 3.553 2.456 3.168 0.000 0.000 0.000 3/40560 820.0 3.509 2.426 3.128 0.000 0.000 0.000 3/40560 830.0 3.466 2.396 3.090 0.000 0.000 0.000 3/40560 840.0 3.425 2.367 3.052 0.000 0.000 0.000 3/40560 850.0 3.384 2.339 3.016 0.000 0.000 0.000 3/40560 860.0 3.344 2.311 2.980 0.000 0.000 0.000 3/40560 870.0 3.305 2.284 2.945 0.000 0.000 0.000 3/40560 880.0 3.267 2.258 2.911 0.000 0.000 0.000 3/40560 890.0 3.230 2.232 2.878 0.000 0.000 0.000 3/40560 900.0 3.194 2.207 2.845 0.000 0.000 0.000 3/40560 910.0 3.159 2.182 2.814 0.000 0.000 0.000 3/40560 920.0 3.124 2.158 2.783 0.000 0.000 0.000 3/40560 930.0 3.090 2.135 2.752 0.000 0.000 0.000 3/40560 940.0 3.057 2.112 2.723 0.000 0.000 0.000 3/40560 950.0 3.025 2.089 2.693 0.000 0.000 0.000 3/40560 960.0 2.993 2.067 2.665 0.000 0.000 0.000 3/40560 970.0 2.962 2.045 2.637 0.000 0.000 0.000 3/40560 980.0 2.931 2.024 2.610 0.000 0.000 0.000 3/40560 990.0 2.901 2.004 2.583 0.000 0.000 0.000 3/40560 1000.0 2.872 1.983 2.557 0.000 0.000 0.000 3/40560 Thermal conductivity related properties were written into "kappa-m13135.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:46:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|