----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:01:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.262261564247202 1.306117323095463 14.008723346666651 b -2.262261564247198 1.306117323095463 14.008723346666651 c 0.000000000000002 -2.612234646190930 14.008723346666651 Atomic positions (fractional): *1 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 *2 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 *3 I 0.12219404036743 0.12219404036743 0.12219404036743 126.904 4 I 0.87780595963257 0.87780595963258 0.87780595963257 126.904 *5 I 0.28887863957171 0.28887863957172 0.28887863957171 126.904 6 I 0.71112136042829 0.71112136042829 0.71112136042829 126.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.524523128494400 0.000000000000000 0.000000000000000 b -2.262261564247200 3.918351969286394 0.000000000000000 c 0.000000000000000 0.000000000000000 42.026170039999997 Atomic positions (fractional): *1 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 1 *2 Pb 0.66666666666667 0.33333333333333 0.83333333333333 207.200 > 2 3 Pb 0.66666666666667 0.33333333333333 0.33333333333333 207.200 > 1 4 Pb 0.33333333333333 0.66666666666667 0.16666666666667 207.200 > 2 5 Pb 0.33333333333333 0.66666666666667 0.66666666666667 207.200 > 1 6 Pb 0.00000000000000 0.00000000000000 0.50000000000000 207.200 > 2 *7 I 0.33333333333333 0.66666666666667 0.78886070703409 126.904 > 3 8 I 0.00000000000000 0.00000000000000 0.87780595963257 126.904 > 4 *9 I 0.33333333333333 0.66666666666667 0.95554530623838 126.904 > 5 10 I 0.00000000000000 0.00000000000000 0.71112136042829 126.904 > 6 11 I 0.00000000000000 0.00000000000000 0.12219404036743 126.904 > 3 12 I 0.66666666666667 0.33333333333333 0.21113929296591 126.904 > 4 13 I 0.00000000000000 0.00000000000000 0.28887863957171 126.904 > 5 14 I 0.66666666666667 0.33333333333333 0.04445469376162 126.904 > 6 15 I 0.66666666666667 0.33333333333333 0.45552737370076 126.904 > 3 16 I 0.33333333333333 0.66666666666667 0.54447262629924 126.904 > 4 17 I 0.66666666666667 0.33333333333333 0.62221197290505 126.904 > 5 18 I 0.33333333333333 0.66666666666667 0.37778802709495 126.904 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.049046256988801 0.000000000000000 0.000000000000000 b -4.524523128494400 7.836703938572788 0.000000000000000 c 0.000000000000000 0.000000000000000 42.026170039999997 Atomic positions (fractional): *1 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 1 2 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 1 3 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 1 4 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 1 *5 Pb 0.33333333333333 0.16666666666667 0.83333333333333 207.200 > 2 6 Pb 0.83333333333333 0.16666666666667 0.83333333333333 207.200 > 2 7 Pb 0.33333333333333 0.66666666666667 0.83333333333333 207.200 > 2 8 Pb 0.83333333333333 0.66666666666667 0.83333333333333 207.200 > 2 9 Pb 0.33333333333333 0.16666666666667 0.33333333333333 207.200 > 1 10 Pb 0.83333333333333 0.16666666666667 0.33333333333333 207.200 > 1 11 Pb 0.33333333333333 0.66666666666667 0.33333333333333 207.200 > 1 12 Pb 0.83333333333333 0.66666666666667 0.33333333333333 207.200 > 1 13 Pb 0.16666666666667 0.33333333333333 0.16666666666667 207.200 > 2 14 Pb 0.66666666666667 0.33333333333333 0.16666666666667 207.200 > 2 15 Pb 0.16666666666667 0.83333333333333 0.16666666666667 207.200 > 2 16 Pb 0.66666666666667 0.83333333333333 0.16666666666667 207.200 > 2 17 Pb 0.16666666666667 0.33333333333333 0.66666666666667 207.200 > 1 18 Pb 0.66666666666667 0.33333333333333 0.66666666666667 207.200 > 1 19 Pb 0.16666666666667 0.83333333333333 0.66666666666667 207.200 > 1 20 Pb 0.66666666666667 0.83333333333333 0.66666666666667 207.200 > 1 21 Pb 0.00000000000000 0.00000000000000 0.50000000000000 207.200 > 2 22 Pb 0.50000000000000 0.00000000000000 0.50000000000000 207.200 > 2 23 Pb 0.00000000000000 0.50000000000000 0.50000000000000 207.200 > 2 24 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 > 2 *25 I 0.16666666666667 0.33333333333333 0.78886070703409 126.904 > 3 26 I 0.66666666666667 0.33333333333333 0.78886070703409 126.904 > 3 27 I 0.16666666666667 0.83333333333333 0.78886070703409 126.904 > 3 28 I 0.66666666666667 0.83333333333333 0.78886070703409 126.904 > 3 29 I 0.00000000000000 0.00000000000000 0.87780595963257 126.904 > 4 30 I 0.50000000000000 0.00000000000000 0.87780595963257 126.904 > 4 31 I 0.00000000000000 0.50000000000000 0.87780595963257 126.904 > 4 32 I 0.50000000000000 0.50000000000000 0.87780595963257 126.904 > 4 *33 I 0.16666666666667 0.33333333333333 0.95554530623838 126.904 > 5 34 I 0.66666666666667 0.33333333333333 0.95554530623838 126.904 > 5 35 I 0.16666666666667 0.83333333333333 0.95554530623838 126.904 > 5 36 I 0.66666666666667 0.83333333333333 0.95554530623838 126.904 > 5 37 I 0.00000000000000 0.00000000000000 0.71112136042829 126.904 > 6 38 I 0.50000000000000 0.00000000000000 0.71112136042829 126.904 > 6 39 I 0.00000000000000 0.50000000000000 0.71112136042829 126.904 > 6 40 I 0.50000000000000 0.50000000000000 0.71112136042829 126.904 > 6 41 I 0.00000000000000 0.00000000000000 0.12219404036743 126.904 > 3 42 I 0.50000000000000 0.00000000000000 0.12219404036743 126.904 > 3 43 I 0.00000000000000 0.50000000000000 0.12219404036743 126.904 > 3 44 I 0.50000000000000 0.50000000000000 0.12219404036743 126.904 > 3 45 I 0.33333333333333 0.16666666666667 0.21113929296591 126.904 > 4 46 I 0.83333333333333 0.16666666666667 0.21113929296591 126.904 > 4 47 I 0.33333333333333 0.66666666666667 0.21113929296591 126.904 > 4 48 I 0.83333333333333 0.66666666666667 0.21113929296591 126.904 > 4 49 I 0.00000000000000 0.00000000000000 0.28887863957171 126.904 > 5 50 I 0.50000000000000 0.00000000000000 0.28887863957171 126.904 > 5 51 I 0.00000000000000 0.50000000000000 0.28887863957171 126.904 > 5 52 I 0.50000000000000 0.50000000000000 0.28887863957171 126.904 > 5 53 I 0.33333333333333 0.16666666666667 0.04445469376162 126.904 > 6 54 I 0.83333333333333 0.16666666666667 0.04445469376162 126.904 > 6 55 I 0.33333333333333 0.66666666666667 0.04445469376162 126.904 > 6 56 I 0.83333333333333 0.66666666666667 0.04445469376162 126.904 > 6 57 I 0.33333333333333 0.16666666666667 0.45552737370076 126.904 > 3 58 I 0.83333333333333 0.16666666666667 0.45552737370076 126.904 > 3 59 I 0.33333333333333 0.66666666666667 0.45552737370076 126.904 > 3 60 I 0.83333333333333 0.66666666666667 0.45552737370076 126.904 > 3 61 I 0.16666666666667 0.33333333333333 0.54447262629924 126.904 > 4 62 I 0.66666666666667 0.33333333333333 0.54447262629924 126.904 > 4 63 I 0.16666666666667 0.83333333333333 0.54447262629924 126.904 > 4 64 I 0.66666666666667 0.83333333333333 0.54447262629924 126.904 > 4 65 I 0.33333333333333 0.16666666666667 0.62221197290505 126.904 > 5 66 I 0.83333333333333 0.16666666666667 0.62221197290505 126.904 > 5 67 I 0.33333333333333 0.66666666666667 0.62221197290505 126.904 > 5 68 I 0.83333333333333 0.66666666666667 0.62221197290505 126.904 > 5 69 I 0.16666666666667 0.33333333333333 0.37778802709495 126.904 > 6 70 I 0.66666666666667 0.33333333333333 0.37778802709495 126.904 > 6 71 I 0.16666666666667 0.83333333333333 0.37778802709495 126.904 > 6 72 I 0.66666666666667 0.83333333333333 0.37778802709495 126.904 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.9989150 -0.0000000 0.0000000 0.0000000 6.9989150 0.0000000 0.0000000 0.0000000 5.2147018 -------------------------- Born effective charges -------------------------- 1 Pb 4.0293300 -0.0000000 0.0000000 0.0000000 4.0293300 0.0000000 0.0000000 0.0000000 1.8507217 2 Pb 4.0855365 -0.0000000 0.0000000 0.0000000 4.0855365 0.0000000 0.0000000 0.0000000 1.8135925 3 I -2.0243139 0.0000000 0.0000000 0.0000000 -2.0243139 0.0000000 0.0000000 0.0000000 -0.9022892 4 I -2.0243139 0.0000000 0.0000000 0.0000000 -2.0243139 0.0000000 0.0000000 0.0000000 -0.9022892 5 I -2.0331193 0.0000000 0.0000000 0.0000000 -2.0331193 0.0000000 0.0000000 0.0000000 -0.9298679 6 I -2.0331193 0.0000000 0.0000000 0.0000000 -2.0331193 0.0000000 0.0000000 0.0000000 -0.9298679 ---------------------------------------------------------------------------- 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: 216/216 Permutation basis: 2736/2736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 226 Number of blocks in projector: 195 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 102 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 68 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 56 Use standard eigh solver. Tree of FC basis block matrices: - (226, 218), data: False |-- (56, 56), data: True |-- (68, 64), data: True |-- (102, 98), data: True ----- Solver_atoms: 1 -- 72 / 72 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 80 / 80 - Time: 0.075 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.079 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 216/216 Permutation basis: 2736/2736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 226 Number of blocks in projector: 195 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 102 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 68 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 56 Use standard eigh solver. Tree of FC basis block matrices: - (226, 218), data: False |-- (56, 56), data: True |-- (68, 64), data: True |-- (102, 98), 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 10:01:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:01:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.262261564247202 1.306117323095463 14.008723346666651 b -2.262261564247198 1.306117323095463 14.008723346666651 c 0.000000000000002 -2.612234646190930 14.008723346666651 Atomic positions (fractional): 1 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 2 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 3 I 0.12219404036743 0.12219404036743 0.12219404036743 126.904 4 I 0.87780595963257 0.87780595963258 0.87780595963257 126.904 5 I 0.28887863957171 0.28887863957172 0.28887863957171 126.904 6 I 0.71112136042829 0.71112136042829 0.71112136042829 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.049046256988801 0.000000000000000 0.000000000000000 b -4.524523128494400 7.836703938572788 0.000000000000000 c 0.000000000000000 0.000000000000000 42.026170039999997 Atomic positions (fractional): 1 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 1 2 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 1 3 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 1 4 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 1 5 Pb 0.33333333333333 0.16666666666667 0.83333333333333 207.200 > 5 6 Pb 0.83333333333333 0.16666666666667 0.83333333333333 207.200 > 5 7 Pb 0.33333333333333 0.66666666666667 0.83333333333333 207.200 > 5 8 Pb 0.83333333333333 0.66666666666667 0.83333333333333 207.200 > 5 9 Pb 0.33333333333333 0.16666666666667 0.33333333333333 207.200 > 1 10 Pb 0.83333333333333 0.16666666666667 0.33333333333333 207.200 > 1 11 Pb 0.33333333333333 0.66666666666667 0.33333333333333 207.200 > 1 12 Pb 0.83333333333333 0.66666666666667 0.33333333333333 207.200 > 1 13 Pb 0.16666666666667 0.33333333333333 0.16666666666667 207.200 > 5 14 Pb 0.66666666666667 0.33333333333333 0.16666666666667 207.200 > 5 15 Pb 0.16666666666667 0.83333333333333 0.16666666666667 207.200 > 5 16 Pb 0.66666666666667 0.83333333333333 0.16666666666667 207.200 > 5 17 Pb 0.16666666666667 0.33333333333333 0.66666666666667 207.200 > 1 18 Pb 0.66666666666667 0.33333333333333 0.66666666666667 207.200 > 1 19 Pb 0.16666666666667 0.83333333333333 0.66666666666667 207.200 > 1 20 Pb 0.66666666666667 0.83333333333333 0.66666666666667 207.200 > 1 21 Pb 0.00000000000000 0.00000000000000 0.50000000000000 207.200 > 5 22 Pb 0.50000000000000 0.00000000000000 0.50000000000000 207.200 > 5 23 Pb 0.00000000000000 0.50000000000000 0.50000000000000 207.200 > 5 24 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 > 5 25 I 0.16666666666667 0.33333333333333 0.78886070703409 126.904 > 25 26 I 0.66666666666667 0.33333333333333 0.78886070703409 126.904 > 25 27 I 0.16666666666667 0.83333333333333 0.78886070703409 126.904 > 25 28 I 0.66666666666667 0.83333333333333 0.78886070703409 126.904 > 25 29 I 0.00000000000000 0.00000000000000 0.87780595963257 126.904 > 29 30 I 0.50000000000000 0.00000000000000 0.87780595963257 126.904 > 29 31 I 0.00000000000000 0.50000000000000 0.87780595963257 126.904 > 29 32 I 0.50000000000000 0.50000000000000 0.87780595963257 126.904 > 29 33 I 0.16666666666667 0.33333333333333 0.95554530623838 126.904 > 33 34 I 0.66666666666667 0.33333333333333 0.95554530623838 126.904 > 33 35 I 0.16666666666667 0.83333333333333 0.95554530623838 126.904 > 33 36 I 0.66666666666667 0.83333333333333 0.95554530623838 126.904 > 33 37 I 0.00000000000000 0.00000000000000 0.71112136042829 126.904 > 37 38 I 0.50000000000000 0.00000000000000 0.71112136042829 126.904 > 37 39 I 0.00000000000000 0.50000000000000 0.71112136042829 126.904 > 37 40 I 0.50000000000000 0.50000000000000 0.71112136042829 126.904 > 37 41 I 0.00000000000000 0.00000000000000 0.12219404036743 126.904 > 25 42 I 0.50000000000000 0.00000000000000 0.12219404036743 126.904 > 25 43 I 0.00000000000000 0.50000000000000 0.12219404036743 126.904 > 25 44 I 0.50000000000000 0.50000000000000 0.12219404036743 126.904 > 25 45 I 0.33333333333333 0.16666666666667 0.21113929296591 126.904 > 29 46 I 0.83333333333333 0.16666666666667 0.21113929296591 126.904 > 29 47 I 0.33333333333333 0.66666666666667 0.21113929296591 126.904 > 29 48 I 0.83333333333333 0.66666666666667 0.21113929296591 126.904 > 29 49 I 0.00000000000000 0.00000000000000 0.28887863957171 126.904 > 33 50 I 0.50000000000000 0.00000000000000 0.28887863957171 126.904 > 33 51 I 0.00000000000000 0.50000000000000 0.28887863957171 126.904 > 33 52 I 0.50000000000000 0.50000000000000 0.28887863957171 126.904 > 33 53 I 0.33333333333333 0.16666666666667 0.04445469376162 126.904 > 37 54 I 0.83333333333333 0.16666666666667 0.04445469376162 126.904 > 37 55 I 0.33333333333333 0.66666666666667 0.04445469376162 126.904 > 37 56 I 0.83333333333333 0.66666666666667 0.04445469376162 126.904 > 37 57 I 0.33333333333333 0.16666666666667 0.45552737370076 126.904 > 25 58 I 0.83333333333333 0.16666666666667 0.45552737370076 126.904 > 25 59 I 0.33333333333333 0.66666666666667 0.45552737370076 126.904 > 25 60 I 0.83333333333333 0.66666666666667 0.45552737370076 126.904 > 25 61 I 0.16666666666667 0.33333333333333 0.54447262629924 126.904 > 29 62 I 0.66666666666667 0.33333333333333 0.54447262629924 126.904 > 29 63 I 0.16666666666667 0.83333333333333 0.54447262629924 126.904 > 29 64 I 0.66666666666667 0.83333333333333 0.54447262629924 126.904 > 29 65 I 0.33333333333333 0.16666666666667 0.62221197290505 126.904 > 33 66 I 0.83333333333333 0.16666666666667 0.62221197290505 126.904 > 33 67 I 0.33333333333333 0.66666666666667 0.62221197290505 126.904 > 33 68 I 0.83333333333333 0.66666666666667 0.62221197290505 126.904 > 33 69 I 0.16666666666667 0.33333333333333 0.37778802709495 126.904 > 37 70 I 0.66666666666667 0.33333333333333 0.37778802709495 126.904 > 37 71 I 0.16666666666667 0.83333333333333 0.37778802709495 126.904 > 37 72 I 0.66666666666667 0.83333333333333 0.37778802709495 126.904 > 37 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.9989150 -0.0000000 0.0000000 0.0000000 6.9989150 0.0000000 0.0000000 0.0000000 5.2147018 -------------------------- Born effective charges -------------------------- 1 Pb 4.0293300 -0.0000000 0.0000000 0.0000000 4.0293300 0.0000000 0.0000000 0.0000000 1.8507217 2 Pb 4.0855365 -0.0000000 0.0000000 0.0000000 4.0855365 0.0000000 0.0000000 0.0000000 1.8135925 3 I -2.0243139 0.0000000 0.0000000 0.0000000 -2.0243139 0.0000000 0.0000000 0.0000000 -0.9022892 4 I -2.0243139 0.0000000 0.0000000 0.0000000 -2.0243139 0.0000000 0.0000000 0.0000000 -0.9022892 5 I -2.0331193 0.0000000 0.0000000 0.0000000 -2.0331193 0.0000000 0.0000000 0.0000000 -0.9298679 6 I -2.0331193 0.0000000 0.0000000 0.0000000 -2.0331193 0.0000000 0.0000000 0.0000000 -0.9298679 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: 0.00000002 (yzy) 0.00000002 (yzy) 0.00000002 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) 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 10:01:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:01:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.262261564247202 1.306117323095463 14.008723346666651 b -2.262261564247198 1.306117323095463 14.008723346666651 c 0.000000000000002 -2.612234646190930 14.008723346666651 Atomic positions (fractional): 1 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 2 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 3 I 0.12219404036743 0.12219404036743 0.12219404036743 126.904 4 I 0.87780595963257 0.87780595963258 0.87780595963257 126.904 5 I 0.28887863957171 0.28887863957172 0.28887863957171 126.904 6 I 0.71112136042829 0.71112136042829 0.71112136042829 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.049046256988801 0.000000000000000 0.000000000000000 b -4.524523128494400 7.836703938572788 0.000000000000000 c 0.000000000000000 0.000000000000000 42.026170039999997 Atomic positions (fractional): 1 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 1 2 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 1 3 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 1 4 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 1 5 Pb 0.33333333333333 0.16666666666667 0.83333333333333 207.200 > 5 6 Pb 0.83333333333333 0.16666666666667 0.83333333333333 207.200 > 5 7 Pb 0.33333333333333 0.66666666666667 0.83333333333333 207.200 > 5 8 Pb 0.83333333333333 0.66666666666667 0.83333333333333 207.200 > 5 9 Pb 0.33333333333333 0.16666666666667 0.33333333333333 207.200 > 1 10 Pb 0.83333333333333 0.16666666666667 0.33333333333333 207.200 > 1 11 Pb 0.33333333333333 0.66666666666667 0.33333333333333 207.200 > 1 12 Pb 0.83333333333333 0.66666666666667 0.33333333333333 207.200 > 1 13 Pb 0.16666666666667 0.33333333333333 0.16666666666667 207.200 > 5 14 Pb 0.66666666666667 0.33333333333333 0.16666666666667 207.200 > 5 15 Pb 0.16666666666667 0.83333333333333 0.16666666666667 207.200 > 5 16 Pb 0.66666666666667 0.83333333333333 0.16666666666667 207.200 > 5 17 Pb 0.16666666666667 0.33333333333333 0.66666666666667 207.200 > 1 18 Pb 0.66666666666667 0.33333333333333 0.66666666666667 207.200 > 1 19 Pb 0.16666666666667 0.83333333333333 0.66666666666667 207.200 > 1 20 Pb 0.66666666666667 0.83333333333333 0.66666666666667 207.200 > 1 21 Pb 0.00000000000000 0.00000000000000 0.50000000000000 207.200 > 5 22 Pb 0.50000000000000 0.00000000000000 0.50000000000000 207.200 > 5 23 Pb 0.00000000000000 0.50000000000000 0.50000000000000 207.200 > 5 24 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 > 5 25 I 0.16666666666667 0.33333333333333 0.78886070703409 126.904 > 25 26 I 0.66666666666667 0.33333333333333 0.78886070703409 126.904 > 25 27 I 0.16666666666667 0.83333333333333 0.78886070703409 126.904 > 25 28 I 0.66666666666667 0.83333333333333 0.78886070703409 126.904 > 25 29 I 0.00000000000000 0.00000000000000 0.87780595963257 126.904 > 29 30 I 0.50000000000000 0.00000000000000 0.87780595963257 126.904 > 29 31 I 0.00000000000000 0.50000000000000 0.87780595963257 126.904 > 29 32 I 0.50000000000000 0.50000000000000 0.87780595963257 126.904 > 29 33 I 0.16666666666667 0.33333333333333 0.95554530623838 126.904 > 33 34 I 0.66666666666667 0.33333333333333 0.95554530623838 126.904 > 33 35 I 0.16666666666667 0.83333333333333 0.95554530623838 126.904 > 33 36 I 0.66666666666667 0.83333333333333 0.95554530623838 126.904 > 33 37 I 0.00000000000000 0.00000000000000 0.71112136042829 126.904 > 37 38 I 0.50000000000000 0.00000000000000 0.71112136042829 126.904 > 37 39 I 0.00000000000000 0.50000000000000 0.71112136042829 126.904 > 37 40 I 0.50000000000000 0.50000000000000 0.71112136042829 126.904 > 37 41 I 0.00000000000000 0.00000000000000 0.12219404036743 126.904 > 25 42 I 0.50000000000000 0.00000000000000 0.12219404036743 126.904 > 25 43 I 0.00000000000000 0.50000000000000 0.12219404036743 126.904 > 25 44 I 0.50000000000000 0.50000000000000 0.12219404036743 126.904 > 25 45 I 0.33333333333333 0.16666666666667 0.21113929296591 126.904 > 29 46 I 0.83333333333333 0.16666666666667 0.21113929296591 126.904 > 29 47 I 0.33333333333333 0.66666666666667 0.21113929296591 126.904 > 29 48 I 0.83333333333333 0.66666666666667 0.21113929296591 126.904 > 29 49 I 0.00000000000000 0.00000000000000 0.28887863957171 126.904 > 33 50 I 0.50000000000000 0.00000000000000 0.28887863957171 126.904 > 33 51 I 0.00000000000000 0.50000000000000 0.28887863957171 126.904 > 33 52 I 0.50000000000000 0.50000000000000 0.28887863957171 126.904 > 33 53 I 0.33333333333333 0.16666666666667 0.04445469376162 126.904 > 37 54 I 0.83333333333333 0.16666666666667 0.04445469376162 126.904 > 37 55 I 0.33333333333333 0.66666666666667 0.04445469376162 126.904 > 37 56 I 0.83333333333333 0.66666666666667 0.04445469376162 126.904 > 37 57 I 0.33333333333333 0.16666666666667 0.45552737370076 126.904 > 25 58 I 0.83333333333333 0.16666666666667 0.45552737370076 126.904 > 25 59 I 0.33333333333333 0.66666666666667 0.45552737370076 126.904 > 25 60 I 0.83333333333333 0.66666666666667 0.45552737370076 126.904 > 25 61 I 0.16666666666667 0.33333333333333 0.54447262629924 126.904 > 29 62 I 0.66666666666667 0.33333333333333 0.54447262629924 126.904 > 29 63 I 0.16666666666667 0.83333333333333 0.54447262629924 126.904 > 29 64 I 0.66666666666667 0.83333333333333 0.54447262629924 126.904 > 29 65 I 0.33333333333333 0.16666666666667 0.62221197290505 126.904 > 33 66 I 0.83333333333333 0.16666666666667 0.62221197290505 126.904 > 33 67 I 0.33333333333333 0.66666666666667 0.62221197290505 126.904 > 33 68 I 0.83333333333333 0.66666666666667 0.62221197290505 126.904 > 33 69 I 0.16666666666667 0.33333333333333 0.37778802709495 126.904 > 37 70 I 0.66666666666667 0.33333333333333 0.37778802709495 126.904 > 37 71 I 0.16666666666667 0.83333333333333 0.37778802709495 126.904 > 37 72 I 0.66666666666667 0.83333333333333 0.37778802709495 126.904 > 37 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.9989150 -0.0000000 0.0000000 0.0000000 6.9989150 0.0000000 0.0000000 0.0000000 5.2147018 -------------------------- Born effective charges -------------------------- 1 Pb 4.0293300 -0.0000000 0.0000000 0.0000000 4.0293300 0.0000000 0.0000000 0.0000000 1.8507217 2 Pb 4.0855365 -0.0000000 0.0000000 0.0000000 4.0855365 0.0000000 0.0000000 0.0000000 1.8135925 3 I -2.0243139 0.0000000 0.0000000 0.0000000 -2.0243139 0.0000000 0.0000000 0.0000000 -0.9022892 4 I -2.0243139 0.0000000 0.0000000 0.0000000 -2.0243139 0.0000000 0.0000000 0.0000000 -0.9022892 5 I -2.0331193 0.0000000 0.0000000 0.0000000 -2.0331193 0.0000000 0.0000000 0.0000000 -0.9298679 6 I -2.0331193 0.0000000 0.0000000 0.0000000 -2.0331193 0.0000000 0.0000000 0.0000000 -0.9298679 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yzy) 0.00000002 (yzy) 0.00000002 (yyz) 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 13 ] 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: 0.66, Number of G-points: 271, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/231) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.387 ( 0.000 0.000 0.000) 0.000 0.387 ( 0.000 0.000 0.000) 0.000 0.644 ( 0.000 0.000 0.000) 0.000 1.908 ( 0.000 0.000 0.000) 0.000 1.908 ( 0.000 0.000 0.000) 0.000 1.979 ( 0.000 0.000 0.000) 0.000 1.979 ( 0.000 0.000 0.000) 0.000 2.250 ( 0.000 0.000 0.000) 0.000 2.250 ( 0.000 0.000 0.000) 0.000 2.303 ( 0.000 0.000 0.000) 0.000 2.303 ( 0.000 0.000 0.000) 0.000 2.639 ( 0.000 0.000 0.000) 0.000 2.757 ( 0.000 0.000 0.000) 0.000 3.500 ( 0.000 0.000 0.000) 0.000 3.717 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/231) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.250 ( 10.599 6.119 2.989) 12.598 0.366 ( 15.388 8.884 0.391) 17.772 0.468 ( 19.894 11.486 0.371) 22.975 0.519 ( 9.706 5.604 -0.372) 11.214 0.594 ( 13.906 8.029 -0.287) 16.060 0.682 ( 3.220 1.859 -0.062) 3.719 1.908 ( 0.077 0.044 0.412) 0.422 1.978 ( 0.032 0.019 -0.449) 0.451 2.135 ( 9.032 5.215 0.657) 10.450 2.222 ( -2.344 -1.353 0.186) 2.713 2.258 ( 0.388 0.224 -0.032) 0.450 2.280 ( -2.008 -1.159 -0.126) 2.321 2.300 ( 1.996 1.152 -0.034) 2.305 2.617 ( -1.677 -0.968 0.317) 1.962 2.719 ( -3.123 -1.803 -0.212) 3.613 3.295 ( 1.130 0.652 -18.788) 18.833 3.470 ( -4.436 -2.561 10.739) 11.898 3.652 ( -5.506 -3.179 0.922) 6.425 ======================= Grid point 2 (3/231) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 9.578 5.530 2.791) 11.406 0.681 ( 11.940 6.894 0.451) 13.795 0.747 ( 9.394 5.423 -0.545) 10.861 0.765 ( 4.722 2.726 -0.667) 5.493 0.899 ( 16.898 9.756 -0.054) 19.513 0.911 ( 13.184 7.612 0.345) 15.227 1.916 ( 0.638 0.368 0.657) 0.987 1.984 ( 0.716 0.414 -0.817) 1.162 2.137 ( -5.069 -2.926 0.534) 5.877 2.151 ( -3.813 -2.202 0.611) 4.445 2.216 ( -3.438 -1.985 -0.406) 3.991 2.243 ( -2.115 -1.221 -0.556) 2.505 2.464 ( 2.947 1.701 0.661) 3.466 2.626 ( -4.665 -2.693 -0.274) 5.393 2.636 ( 7.089 4.093 1.728) 8.367 3.261 ( -2.540 -1.466 -10.435) 10.839 3.358 ( -6.498 -3.751 4.628) 8.815 3.501 ( -6.813 -3.934 1.078) 7.941 ======================= Grid point 3 (4/231) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 7.127 4.115 2.497) 8.600 0.859 ( 3.448 1.991 -1.123) 4.137 0.889 ( 5.958 3.440 0.487) 6.897 0.911 ( 4.777 2.758 -0.614) 5.550 1.170 ( 9.418 5.438 0.370) 10.882 1.236 ( 12.338 7.124 0.010) 14.247 1.943 ( 1.468 0.848 0.635) 1.811 1.988 ( -7.738 -4.467 0.826) 8.973 2.009 ( 1.246 0.720 -1.381) 1.995 2.069 ( -2.747 -1.586 1.613) 3.558 2.134 ( -3.218 -1.858 -0.809) 3.802 2.149 ( -6.035 -3.484 -0.943) 7.032 2.445 ( -1.429 -0.825 0.488) 1.721 2.527 ( -3.403 -1.965 -0.449) 3.955 2.821 ( 4.724 2.727 1.987) 5.805 3.117 ( -8.829 -5.098 -3.334) 10.726 3.208 ( -5.535 -3.195 0.668) 6.426 3.398 ( -2.510 -1.449 -0.815) 3.011 ======================= Grid point 4 (5/231) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 2.310 1.334 2.170) 3.439 0.900 ( -0.032 -0.018 -1.345) 1.345 0.950 ( -0.394 -0.227 0.618) 0.767 0.956 ( -0.462 -0.267 -0.709) 0.888 1.328 ( 4.101 2.368 0.437) 4.756 1.441 ( 5.327 3.075 -0.323) 6.159 1.820 ( -6.124 -3.536 1.179) 7.169 1.945 ( -1.786 -1.031 1.082) 2.329 1.989 ( -6.869 -3.966 -1.073) 8.004 1.996 ( -1.952 -1.127 -1.857) 2.921 2.073 ( 2.411 1.392 1.770) 3.299 2.121 ( 2.629 1.518 -0.957) 3.183 2.444 ( 1.321 0.763 0.479) 1.599 2.487 ( 0.014 0.008 -0.518) 0.518 2.792 ( -6.254 -3.611 -0.387) 7.231 2.882 ( -10.796 -6.233 -0.501) 12.476 3.172 ( 1.296 0.748 1.682) 2.251 3.352 ( -1.648 -0.951 -1.931) 2.711 ======================= Grid point 5 (6/231) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -2.936 -1.695 1.858) 3.866 0.849 ( -3.900 -2.251 -1.291) 4.684 0.899 ( -3.387 -1.955 0.752) 3.982 0.910 ( -2.915 -1.683 -0.760) 3.450 1.346 ( -1.954 -1.128 0.323) 2.280 1.458 ( -3.414 -1.971 -0.762) 4.015 1.773 ( 2.082 1.202 1.358) 2.761 1.896 ( -0.508 -0.293 -0.974) 1.137 1.906 ( -1.474 -0.851 1.620) 2.350 1.941 ( -2.048 -1.182 -2.021) 3.110 2.154 ( 3.607 2.082 1.552) 4.444 2.191 ( 2.945 1.700 -1.155) 3.591 2.487 ( 1.184 0.684 0.273) 1.395 2.504 ( 0.183 0.106 -0.247) 0.326 2.629 ( -6.216 -3.589 -0.163) 7.179 2.659 ( -7.527 -4.346 -0.808) 8.729 3.212 ( 1.310 0.756 2.523) 2.942 3.310 ( -1.693 -0.977 -2.378) 3.079 ======================= Grid point 6 (7/231) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -2.529 -1.460 0.979) 3.080 0.755 ( -2.998 -1.731 -0.753) 3.543 0.834 ( -1.785 -1.031 0.487) 2.118 0.850 ( -1.661 -0.959 -0.469) 1.974 1.308 ( -0.340 -0.197 0.679) 0.785 1.355 ( -3.959 -2.285 -0.903) 4.659 1.865 ( 4.203 2.426 0.746) 4.910 1.888 ( -0.447 -0.258 1.160) 1.270 1.905 ( -0.750 -0.433 -1.291) 1.554 1.914 ( 0.512 0.296 -0.576) 0.826 2.221 ( 1.752 1.012 1.467) 2.500 2.234 ( 0.859 0.496 -1.348) 1.673 2.430 ( -3.602 -2.080 -0.241) 4.167 2.437 ( -3.550 -2.050 0.079) 4.100 2.591 ( 0.930 0.537 0.500) 1.185 2.600 ( 0.231 0.133 -0.714) 0.762 3.240 ( 0.916 0.529 2.706) 2.905 3.270 ( -1.356 -0.783 -2.634) 3.064 ======================= Grid point 14 (8/231) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.259 ( 0.000 11.896 5.952) 13.302 0.367 ( -0.000 17.680 0.685) 17.693 0.468 ( -0.000 22.860 0.521) 22.866 0.519 ( -0.000 11.271 -0.262) 11.274 0.592 ( -0.000 15.941 -0.777) 15.960 0.683 ( -0.000 3.911 0.127) 3.913 1.907 ( -0.000 0.016 -0.115) 0.116 1.980 ( -0.000 0.108 0.005) 0.108 2.133 ( -0.000 10.385 0.185) 10.387 2.222 ( 0.000 -2.733 0.238) 2.743 2.258 ( -0.000 0.393 0.083) 0.402 2.280 ( 0.000 -2.292 -0.103) 2.294 2.301 ( -0.000 2.434 0.172) 2.440 2.618 ( 0.000 -1.928 0.616) 2.025 2.719 ( 0.000 -3.600 -0.443) 3.627 3.252 ( -0.000 4.836 -28.109) 28.522 3.492 ( 0.000 -6.896 12.904) 14.631 3.655 ( 0.000 -6.363 1.870) 6.632 ======================= Grid point 15 (9/231) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 5.561 9.833 5.102) 12.396 0.614 ( 7.880 13.534 0.493) 15.669 0.699 ( 6.212 11.075 -0.351) 12.703 0.745 ( 3.261 5.106 -1.469) 6.234 0.778 ( 9.935 17.469 0.312) 20.099 0.823 ( 7.399 13.052 0.779) 15.024 1.914 ( 0.435 0.331 0.196) 0.580 1.969 ( -0.598 -0.688 -0.473) 1.027 2.140 ( -3.015 -5.244 0.462) 6.066 2.167 ( -1.946 -3.555 0.106) 4.055 2.257 ( -1.097 -1.765 -0.031) 2.079 2.282 ( 0.124 0.222 -0.390) 0.466 2.420 ( 4.773 8.144 1.499) 9.558 2.609 ( 1.435 2.345 1.670) 3.216 2.652 ( -2.671 -4.617 -0.531) 5.360 3.253 ( 0.326 0.962 -16.083) 16.115 3.408 ( -3.500 -6.272 5.808) 9.237 3.539 ( -4.909 -8.384 2.211) 9.963 ======================= Grid point 16 (10/231) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 6.063 7.454 4.130) 10.459 0.816 ( 4.210 4.661 -0.865) 6.341 0.880 ( 4.427 9.942 -0.111) 10.884 0.897 ( 4.253 9.075 -0.290) 10.026 1.071 ( 8.759 7.802 0.676) 11.749 1.107 ( 11.567 10.321 -0.024) 15.502 1.926 ( 0.643 -0.077 -0.026) 0.648 1.954 ( 0.825 -2.461 -0.467) 2.637 2.035 ( -2.341 -7.114 0.770) 7.529 2.066 ( -3.850 -4.695 0.388) 6.084 2.206 ( -3.960 0.558 -0.261) 4.008 2.249 ( -4.080 0.121 -0.643) 4.132 2.448 ( -1.040 -2.720 0.839) 3.031 2.550 ( -3.280 -4.594 -0.565) 5.673 2.778 ( 6.499 7.829 3.247) 10.681 3.190 ( -4.388 -2.807 -9.296) 10.656 3.279 ( -7.359 -4.667 2.722) 9.129 3.381 ( -1.653 -8.243 0.739) 8.439 ======================= Grid point 17 (11/231) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 3.457 4.698 3.253) 6.679 0.895 ( 1.416 2.152 -1.367) 2.917 0.995 ( -0.702 6.007 -0.225) 6.052 1.005 ( -1.084 6.884 0.224) 6.973 1.258 ( 6.542 2.673 0.836) 7.116 1.352 ( 8.466 3.979 -0.396) 9.363 1.878 ( -4.523 -4.355 0.239) 6.284 1.925 ( -1.772 -5.854 0.497) 6.137 1.969 ( 2.507 -0.810 -0.290) 2.650 2.008 ( 1.124 -2.705 0.474) 2.967 2.144 ( -4.333 1.901 -0.676) 4.779 2.154 ( -6.273 1.106 -0.276) 6.376 2.418 ( 0.883 -2.133 0.711) 2.416 2.473 ( -0.570 -3.245 -0.604) 3.350 2.868 ( -3.751 1.337 0.576) 4.024 3.025 ( -10.824 -3.495 -1.662) 11.495 3.137 ( 0.303 -4.245 1.394) 4.478 3.324 ( 1.059 -5.156 -1.866) 5.585 ======================= Grid point 18 (12/231) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -1.762 1.293 2.432) 3.270 0.892 ( -2.645 -0.132 -1.341) 2.968 0.993 ( -4.632 4.144 -0.370) 6.226 0.999 ( -5.626 4.710 0.485) 7.353 1.336 ( 1.718 -1.620 0.739) 2.475 1.451 ( 1.744 -1.878 -0.838) 2.696 1.782 ( -2.208 -0.264 1.067) 2.466 1.858 ( 0.096 -3.701 0.146) 3.705 1.973 ( -2.074 -0.186 -1.276) 2.442 1.990 ( -3.560 1.504 0.018) 3.864 2.106 ( 2.118 0.264 1.460) 2.586 2.145 ( 2.157 0.525 -1.078) 2.468 2.441 ( 3.247 -1.505 0.468) 3.609 2.467 ( 2.422 -2.039 -0.544) 3.212 2.734 ( -8.739 -1.714 -0.769) 8.939 2.792 ( -11.517 -2.697 -0.250) 11.832 3.166 ( 3.711 -2.190 2.602) 5.033 3.288 ( 0.660 -4.516 -2.408) 5.160 ======================= Grid point 19 (13/231) ======================= q-point: ( 0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -4.698 0.238 1.584) 4.963 0.814 ( -4.896 -0.462 -1.152) 5.051 0.936 ( -6.468 5.153 0.185) 8.272 0.943 ( -5.998 5.021 -0.071) 7.822 1.315 ( -0.872 -1.525 0.916) 1.981 1.394 ( -3.478 -3.393 -1.025) 4.966 1.810 ( 3.378 1.299 0.463) 3.649 1.864 ( 2.436 -1.035 0.748) 2.750 1.929 ( -2.755 1.256 -0.777) 3.126 1.949 ( -2.851 1.766 -0.288) 3.366 2.174 ( 4.355 -0.388 1.344) 4.574 2.195 ( 3.247 -0.702 -1.182) 3.526 2.461 ( -0.065 -2.900 0.223) 2.909 2.471 ( -0.727 -2.814 -0.439) 2.940 2.604 ( -3.939 0.425 0.437) 3.985 2.621 ( -5.320 0.031 -0.651) 5.359 3.204 ( 2.825 -2.465 2.734) 4.641 3.250 ( 0.437 -4.071 -2.552) 4.825 ======================= Grid point 20 (14/231) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -1.859 2.671 -0.275) 3.266 0.761 ( -1.227 2.594 0.225) 2.878 0.902 ( -4.233 7.187 -0.445) 8.353 0.914 ( -3.894 6.854 0.429) 7.895 1.313 ( -0.871 -0.507 -0.257) 1.040 1.324 ( 0.949 0.414 0.574) 1.184 1.862 ( 1.142 -1.371 -0.766) 1.942 1.886 ( 0.020 -1.570 0.857) 1.789 1.909 ( -0.489 1.053 0.012) 1.161 1.930 ( -0.495 1.566 0.095) 1.645 2.217 ( 0.275 -1.645 -1.340) 2.139 2.224 ( 1.304 -1.125 1.294) 2.154 2.417 ( -0.227 0.269 -0.569) 0.669 2.426 ( -0.029 0.218 0.458) 0.508 2.590 ( -0.190 -0.358 -0.496) 0.640 2.594 ( 0.385 0.083 0.798) 0.890 3.216 ( 0.711 -3.581 -2.510) 4.430 3.231 ( 2.761 -2.483 2.552) 4.506 ======================= Grid point 21 (15/231) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 1.921 4.114 -1.272) 4.715 0.820 ( 2.963 4.060 1.124) 5.151 0.933 ( -1.292 8.376 -0.660) 8.501 0.945 ( -1.293 7.480 0.557) 7.611 1.312 ( 1.814 -0.024 -0.186) 1.824 1.398 ( 4.660 1.283 0.640) 4.875 1.808 ( -3.294 -2.113 -0.120) 3.915 1.859 ( -0.007 -2.446 -0.960) 2.627 1.933 ( 0.439 2.905 0.672) 3.014 1.952 ( -0.134 3.172 0.757) 3.264 2.167 ( -1.922 -3.884 -1.269) 4.516 2.201 ( -1.004 -3.264 1.009) 3.561 2.459 ( 2.621 -1.393 -0.400) 2.995 2.473 ( 2.755 -0.790 0.202) 2.873 2.602 ( 1.766 3.765 -0.207) 4.164 2.625 ( 2.595 4.494 1.036) 5.292 3.190 ( 0.697 -3.623 -2.354) 4.376 3.263 ( 3.304 -2.496 2.265) 4.720 ======================= Grid point 22 (16/231) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -0.437 2.114 -1.349) 2.545 0.900 ( 1.462 2.219 1.275) 2.947 0.995 ( -1.145 6.011 0.319) 6.128 0.996 ( -1.355 7.265 -0.398) 7.401 1.334 ( 0.477 -2.382 -0.000) 2.429 1.454 ( 0.735 -2.505 0.126) 2.614 1.778 ( 1.152 2.061 -0.423) 2.399 1.857 ( 3.193 -1.925 -0.359) 3.746 1.980 ( 1.419 1.529 1.320) 2.469 1.990 ( 0.350 3.646 -0.029) 3.663 2.098 ( -1.296 -1.502 -1.284) 2.363 2.151 ( -1.516 -1.645 0.831) 2.386 2.438 ( -0.369 -3.584 -0.321) 3.617 2.469 ( 0.613 -3.090 0.297) 3.164 2.737 ( 5.973 6.836 0.360) 9.085 2.794 ( 8.051 8.473 0.510) 11.699 3.154 ( 0.125 -4.229 -1.860) 4.622 3.299 ( 3.564 -2.913 1.778) 4.935 ======================= Grid point 23 (17/231) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -6.058 -0.768 -1.211) 6.226 0.901 ( -2.609 -0.183 0.970) 2.790 0.996 ( -4.957 3.652 0.226) 6.161 1.004 ( -5.252 4.314 -0.224) 6.800 1.255 ( -5.621 -4.415 -0.118) 7.149 1.353 ( -7.713 -5.331 -0.046) 9.376 1.877 ( 6.230 2.258 -0.020) 6.627 1.922 ( 5.427 -1.427 -0.407) 5.626 1.971 ( -0.318 -2.787 0.270) 2.818 2.005 ( 1.691 -2.562 -0.341) 3.089 2.147 ( 1.029 5.038 0.329) 5.152 2.156 ( 1.877 5.672 0.245) 5.980 2.415 ( 1.355 -1.856 -0.286) 2.316 2.476 ( 3.118 -1.149 0.300) 3.336 2.865 ( -0.065 3.523 -0.548) 3.566 3.031 ( 9.317 8.226 0.873) 12.459 3.132 ( 3.775 -2.437 -0.671) 4.543 3.332 ( 3.773 -3.634 1.095) 5.352 ======================= Grid point 24 (18/231) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -9.817 -1.675 -0.924) 10.002 0.820 ( -6.459 -1.342 0.290) 6.603 0.880 ( -10.623 1.229 0.056) 10.694 0.899 ( -9.885 0.755 0.140) 9.915 1.069 ( -11.084 -3.800 -0.083) 11.718 1.107 ( -14.784 -4.820 -0.048) 15.550 1.926 ( -0.687 -0.423 -0.037) 0.808 1.955 ( 2.102 -1.911 0.083) 2.842 2.032 ( 7.320 -1.800 -0.185) 7.541 2.065 ( 6.036 1.277 -0.198) 6.173 2.207 ( 1.455 3.547 0.256) 3.842 2.252 ( 1.987 3.572 0.138) 4.090 2.445 ( 2.832 -0.498 -0.179) 2.881 2.552 ( 5.635 0.539 0.146) 5.662 2.766 ( -10.208 -1.697 -1.067) 10.403 3.234 ( 6.725 2.802 6.371) 9.678 3.259 ( 6.809 4.235 -4.520) 9.205 3.378 ( 7.376 -3.234 -0.117) 8.055 ======================= Grid point 25 (19/231) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( -11.712 0.000 0.000) 11.712 0.612 ( -15.748 0.000 0.000) 15.748 0.700 ( -12.658 0.000 0.000) 12.658 0.750 ( -5.720 0.000 0.000) 5.720 0.777 ( -20.206 0.000 0.000) 20.206 0.821 ( -15.227 0.000 0.000) 15.227 1.914 ( -0.531 0.000 0.000) 0.531 1.971 ( 0.889 -0.000 -0.000) 0.889 2.138 ( 6.081 -0.000 -0.000) 6.081 2.167 ( 4.004 -0.000 -0.000) 4.004 2.257 ( 2.102 -0.000 -0.000) 2.102 2.283 ( -0.299 0.000 0.000) 0.299 2.416 ( -9.602 0.000 0.000) 9.602 2.605 ( -2.446 0.000 0.000) 2.446 2.654 ( 5.359 -0.000 -0.000) 5.359 3.310 ( 0.624 -0.000 -0.000) 0.624 3.380 ( 6.641 -0.000 -0.000) 6.641 3.532 ( 9.642 -0.000 -0.000) 9.642 ======================= Grid point 28 (20/231) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 0.000 10.759 5.866) 12.254 0.681 ( -0.000 13.617 0.349) 13.622 0.750 ( -0.000 10.995 -0.109) 10.995 0.760 ( -0.000 5.686 -1.177) 5.807 0.897 ( -0.000 19.055 -0.194) 19.056 0.916 ( -0.000 15.550 0.980) 15.580 1.912 ( -0.000 0.718 -0.060) 0.721 1.988 ( -0.000 0.888 -0.176) 0.905 2.137 ( 0.000 -5.737 0.493) 5.758 2.150 ( 0.000 -4.589 0.427) 4.609 2.218 ( 0.000 -3.823 -0.130) 3.826 2.241 ( -0.000 -2.522 -0.804) 2.647 2.467 ( 0.000 3.273 1.292) 3.519 2.623 ( 0.000 -4.659 -0.577) 4.695 2.643 ( 0.000 7.484 2.557) 7.909 3.221 ( -0.000 -0.854 -13.855) 13.881 3.370 ( 0.000 -8.392 3.647) 9.151 3.509 ( 0.000 -8.022 2.092) 8.290 ======================= Grid point 29 (21/231) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 3.132 8.929 5.155) 10.775 0.815 ( 1.935 6.082 -0.760) 6.427 0.879 ( 6.598 8.755 -0.169) 10.964 0.899 ( 5.367 8.333 -0.050) 9.912 1.076 ( 2.264 11.779 1.060) 12.041 1.105 ( 3.192 14.938 -0.292) 15.278 1.925 ( 0.180 0.866 -0.169) 0.900 1.952 ( -3.237 -1.026 -0.560) 3.441 2.036 ( -4.929 -5.391 0.900) 7.360 2.065 ( -1.832 -5.817 0.264) 6.105 2.209 ( 2.216 -2.905 0.161) 3.657 2.247 ( 2.186 -3.574 -0.888) 4.283 2.450 ( -1.855 -2.292 1.096) 3.145 2.549 ( -2.339 -5.070 -0.617) 5.617 2.780 ( 3.855 9.271 3.474) 10.624 3.176 ( -0.578 -4.416 -10.086) 11.025 3.280 ( -0.261 -8.945 2.129) 9.199 3.387 ( -6.348 -5.555 1.274) 8.531 ======================= Grid point 30 (22/231) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 3.416 6.160 4.032) 8.116 0.892 ( 1.735 3.405 -1.072) 3.969 1.052 ( 3.420 6.308 0.010) 7.175 1.069 ( 4.500 7.346 -0.077) 8.615 1.202 ( 2.459 5.055 1.538) 5.828 1.275 ( 4.122 6.648 -0.747) 7.857 1.887 ( -1.746 -3.465 -1.409) 4.128 1.922 ( -1.614 -0.844 -1.437) 2.320 1.935 ( -0.840 -3.174 1.966) 3.827 1.976 ( -1.862 -3.270 1.462) 4.037 2.208 ( -0.747 -0.793 -0.356) 1.146 2.224 ( -1.257 -2.324 -0.488) 2.686 2.393 ( -1.501 -2.648 0.996) 3.203 2.456 ( -2.521 -4.230 -0.564) 4.957 2.924 ( 2.884 5.055 3.062) 6.577 3.063 ( -3.472 -6.727 -5.237) 9.205 3.178 ( -4.891 -9.635 1.795) 10.954 3.243 ( -2.462 -2.339 -1.575) 3.743 ======================= Grid point 31 (23/231) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 0.457 2.886 2.818) 4.059 0.924 ( -0.677 1.067 -1.097) 1.673 1.114 ( -2.679 5.695 0.298) 6.301 1.146 ( -3.414 6.701 -0.246) 7.524 1.273 ( 3.334 -1.030 1.452) 3.779 1.375 ( 4.374 -1.077 -0.889) 4.592 1.829 ( -0.676 -2.701 -0.251) 2.796 1.840 ( -4.374 -0.607 -0.572) 4.453 1.951 ( 3.316 -0.488 0.672) 3.418 1.984 ( 2.744 0.350 0.779) 2.873 2.152 ( -4.503 -0.829 0.068) 4.580 2.169 ( -3.498 -0.030 -0.796) 3.588 2.369 ( 1.829 -3.033 0.681) 3.607 2.400 ( 0.968 -3.726 -0.536) 3.887 2.874 ( -8.680 -0.675 -1.490) 8.833 2.959 ( -9.399 -3.162 -0.423) 9.926 3.061 ( 4.723 -4.162 3.236) 7.078 3.203 ( 1.648 -5.749 -2.292) 6.405 ======================= Grid point 32 (24/231) ======================= q-point: ( 0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -3.595 1.054 1.739) 4.130 0.887 ( -3.611 0.219 -1.117) 3.786 1.103 ( -5.226 6.445 0.422) 8.308 1.118 ( -6.519 6.766 -0.194) 9.397 1.298 ( 1.263 -1.859 1.382) 2.639 1.388 ( 0.115 -3.208 -1.098) 3.393 1.797 ( -0.585 0.965 -0.470) 1.222 1.820 ( 1.518 -0.702 0.450) 1.732 1.996 ( -1.407 2.771 0.208) 3.115 2.033 ( -2.772 2.821 -0.250) 3.963 2.089 ( 2.625 -2.052 1.185) 3.536 2.126 ( 1.488 -1.880 -1.032) 2.610 2.383 ( 3.407 -4.498 0.441) 5.660 2.400 ( 3.063 -4.486 -0.562) 5.461 2.724 ( -7.961 0.737 -0.265) 8.000 2.768 ( -9.995 0.033 -0.170) 9.997 3.109 ( 4.583 -4.512 2.716) 6.981 3.170 ( 1.969 -6.210 -2.331) 6.919 ======================= Grid point 33 (25/231) ======================= q-point: ( 0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -3.892 2.440 0.110) 4.595 0.832 ( -3.380 2.517 -0.174) 4.218 1.076 ( -5.987 8.282 0.126) 10.220 1.082 ( -5.919 8.214 0.045) 10.124 1.306 ( 0.949 0.159 1.325) 1.637 1.337 ( -2.073 -1.876 -0.922) 2.944 1.823 ( 1.931 0.767 -1.090) 2.346 1.859 ( 2.304 0.250 1.357) 2.685 1.953 ( -3.690 0.565 0.221) 3.739 1.973 ( -3.505 0.814 -0.342) 3.615 2.167 ( 4.470 -0.475 0.873) 4.579 2.172 ( 3.305 -0.816 -0.886) 3.518 2.382 ( 2.323 -5.386 0.342) 5.875 2.390 ( 1.645 -5.484 -0.550) 5.751 2.638 ( -4.083 2.962 0.647) 5.086 2.646 ( -5.403 2.816 -0.318) 6.102 3.138 ( 3.284 -5.299 0.408) 6.247 3.142 ( 2.832 -5.564 -0.243) 6.248 ======================= Grid point 34 (26/231) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -0.795 4.496 -0.807) 4.636 0.838 ( 0.044 4.285 0.612) 4.329 1.075 ( -4.148 9.017 -0.002) 9.925 1.083 ( -4.267 9.529 0.096) 10.441 1.297 ( -0.556 -0.839 -0.379) 1.076 1.347 ( 2.607 0.806 0.774) 2.837 1.828 ( -1.151 -1.352 -0.608) 1.877 1.852 ( -2.043 -1.485 0.569) 2.589 1.952 ( 1.327 3.244 0.047) 3.506 1.977 ( 1.357 3.383 0.376) 3.665 2.157 ( -1.934 -3.757 -0.833) 4.307 2.182 ( -0.950 -3.541 0.854) 3.764 2.377 ( 3.573 -4.737 -0.559) 5.960 2.395 ( 3.921 -4.139 0.223) 5.706 2.633 ( -0.494 5.214 -0.220) 5.242 2.652 ( 0.343 5.848 0.791) 5.911 3.114 ( 2.055 -5.759 -2.020) 6.440 3.164 ( 4.204 -5.041 2.024) 6.869 ======================= Grid point 35 (27/231) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 0.465 3.693 -0.844) 3.817 0.900 ( 1.786 3.148 0.842) 3.716 1.099 ( -2.822 7.304 -0.126) 7.832 1.120 ( -2.818 9.521 0.183) 9.931 1.291 ( 1.049 -2.264 0.100) 2.497 1.394 ( 2.662 -1.851 -0.054) 3.243 1.799 ( -0.580 0.632 -0.095) 0.863 1.817 ( -0.305 -0.635 0.131) 0.716 1.998 ( -1.375 1.870 0.479) 2.370 2.035 ( -1.361 3.625 0.120) 3.874 2.078 ( 0.335 -2.957 -0.732) 3.064 2.135 ( 1.058 -2.201 0.508) 2.495 2.379 ( 2.200 -5.223 -0.292) 5.675 2.404 ( 2.391 -4.879 0.153) 5.436 2.728 ( 3.758 7.668 0.240) 8.542 2.770 ( 4.862 8.297 0.348) 9.623 3.085 ( 1.480 -6.064 -1.628) 6.451 3.192 ( 4.471 -5.125 1.487) 6.962 ======================= Grid point 36 (28/231) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -3.230 1.019 -0.505) 3.425 0.936 ( -0.519 0.929 0.585) 1.214 1.111 ( -3.368 5.090 -0.086) 6.104 1.147 ( -4.322 6.511 0.048) 7.815 1.265 ( -0.847 -3.899 0.151) 3.993 1.378 ( -1.193 -4.191 -0.213) 4.362 1.828 ( 3.218 -0.119 -0.623) 3.279 1.846 ( 2.039 3.944 0.771) 4.506 1.950 ( -0.714 -4.297 0.351) 4.370 1.975 ( -2.211 -2.170 -0.550) 3.147 2.151 ( 3.201 3.881 -0.161) 5.033 2.175 ( 1.638 2.733 0.391) 3.210 2.364 ( 1.606 -3.135 -0.156) 3.526 2.404 ( 2.797 -2.767 0.132) 3.937 2.885 ( 4.558 7.733 0.433) 8.987 2.961 ( 8.121 6.884 0.164) 10.647 3.038 ( 1.236 -6.785 -1.136) 6.990 3.220 ( 4.218 -4.645 0.824) 6.328 ======================= Grid point 37 (29/231) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -7.602 0.000 0.000) 7.602 0.901 ( -3.818 0.000 0.000) 3.818 1.052 ( -7.133 0.000 0.000) 7.133 1.070 ( -8.624 0.000 0.000) 8.624 1.191 ( -5.482 0.000 0.000) 5.482 1.279 ( -7.944 0.000 0.000) 7.944 1.905 ( 6.042 -0.000 -0.000) 6.042 1.908 ( 1.277 -0.000 -0.000) 1.277 1.939 ( -0.798 0.000 0.000) 0.798 1.963 ( 5.846 -0.000 -0.000) 5.846 2.210 ( 0.873 -0.000 -0.000) 0.873 2.227 ( 2.861 -0.000 -0.000) 2.861 2.387 ( 2.924 -0.000 -0.000) 2.924 2.459 ( 4.990 -0.000 -0.000) 4.990 2.905 ( -6.352 0.000 0.000) 6.352 3.096 ( 9.046 -0.000 -0.000) 9.046 3.165 ( 10.614 -0.000 -0.000) 10.614 3.252 ( 2.909 -0.000 -0.000) 2.909 ======================= Grid point 42 (30/231) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 0.000 7.729 4.954) 9.180 0.857 ( -0.000 4.297 -0.722) 4.357 0.884 ( -0.000 6.687 -0.066) 6.687 0.918 ( -0.000 5.663 0.153) 5.665 1.182 ( -0.000 11.273 1.511) 11.374 1.230 ( -0.000 13.875 -0.843) 13.901 1.940 ( -0.000 1.858 0.235) 1.872 1.994 ( 0.000 -8.647 1.525) 8.781 2.015 ( -0.000 1.804 -0.927) 2.028 2.060 ( 0.000 -3.985 0.811) 4.066 2.141 ( 0.000 -3.408 -0.005) 3.408 2.142 ( 0.000 -7.098 -1.708) 7.300 2.450 ( 0.000 -1.811 1.056) 2.096 2.525 ( 0.000 -3.785 -0.540) 3.823 2.826 ( 0.000 4.653 2.465) 5.266 3.103 ( -0.000 -7.204 -6.187) 9.496 3.202 ( 0.000 -7.889 1.285) 7.993 3.403 ( 0.000 -2.981 -0.367) 3.003 ======================= Grid point 43 (31/231) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 2.098 4.839 3.908) 6.565 0.898 ( 0.972 2.718 -0.556) 2.940 0.997 ( 6.910 2.617 -0.181) 7.391 1.005 ( 5.042 2.283 0.284) 5.542 1.274 ( -1.100 7.421 1.939) 7.749 1.341 ( -0.676 8.929 -1.387) 9.062 1.880 ( -2.359 -5.716 0.378) 6.195 1.927 ( -3.458 -5.283 0.672) 6.350 1.963 ( -2.090 2.226 -0.726) 3.139 2.011 ( -2.651 0.119 0.712) 2.748 2.141 ( 4.380 -5.303 -0.898) 6.936 2.159 ( 3.502 -2.584 0.010) 4.352 2.420 ( -2.280 -0.511 0.878) 2.496 2.473 ( -2.573 -2.007 -0.451) 3.294 2.867 ( 3.540 -3.225 0.814) 4.858 3.026 ( 1.526 -9.316 -3.139) 9.949 3.124 ( -3.332 -2.955 1.281) 4.634 3.334 ( -5.181 -1.231 -0.954) 5.410 ======================= Grid point 44 (32/231) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 2.232 1.369 2.594) 3.686 0.929 ( 0.711 0.330 -0.619) 0.999 1.115 ( 5.817 0.562 0.511) 5.866 1.146 ( 7.944 0.599 -0.339) 7.974 1.288 ( -3.135 2.772 2.083) 4.674 1.364 ( -2.709 2.815 -1.491) 4.182 1.815 ( -0.834 -2.683 -0.555) 2.864 1.854 ( 0.395 -3.325 -0.233) 3.356 1.954 ( -2.087 3.213 0.574) 3.874 1.983 ( -1.132 2.342 0.993) 2.784 2.147 ( 2.014 -4.538 -0.322) 4.976 2.175 ( 1.162 -2.835 -0.419) 3.092 2.368 ( -3.462 -0.138 0.593) 3.515 2.402 ( -3.843 -0.959 -0.373) 3.978 2.880 ( 4.017 -8.097 -0.698) 9.065 2.958 ( 1.336 -8.943 -1.551) 9.174 3.043 ( -4.837 1.058 2.434) 5.517 3.216 ( -6.746 -0.657 -1.184) 6.881 ======================= Grid point 45 (33/231) ======================= q-point: ( 0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 0.079 -0.482 1.430) 1.511 0.923 ( -0.844 -0.837 -0.844) 1.457 1.201 ( 1.989 2.414 0.619) 3.189 1.240 ( -0.006 2.488 -0.611) 2.561 1.267 ( -0.233 0.547 2.155) 2.235 1.339 ( 0.398 -1.093 -1.148) 1.635 1.794 ( 0.599 -0.767 0.151) 0.985 1.831 ( -1.171 0.179 -1.343) 1.791 1.999 ( 2.367 4.451 1.280) 5.201 2.017 ( 1.639 2.442 0.731) 3.031 2.117 ( -1.249 -2.521 -0.209) 2.821 2.136 ( -2.167 -2.977 -0.820) 3.773 2.311 ( -1.313 -2.784 0.509) 3.120 2.333 ( -1.685 -2.715 -0.451) 3.227 2.831 ( -2.693 -3.073 -0.678) 4.142 2.880 ( -2.522 -4.924 -0.500) 5.555 3.008 ( 0.692 -2.143 2.592) 3.434 3.106 ( -3.375 -3.036 -1.496) 4.780 ======================= Grid point 46 (34/231) ======================= q-point: ( 0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -2.110 0.593 -0.227) 2.204 0.898 ( -1.704 0.910 -0.000) 1.931 1.224 ( -2.835 4.999 0.983) 5.830 1.237 ( -3.476 4.881 -0.586) 6.021 1.289 ( 1.564 0.357 1.599) 2.264 1.338 ( 0.050 -1.413 -1.045) 1.758 1.824 ( 0.975 2.590 -0.022) 2.767 1.836 ( 1.248 2.504 -0.501) 2.842 2.019 ( -2.735 -2.405 1.247) 3.850 2.049 ( -4.647 -1.587 -0.426) 4.929 2.101 ( 3.529 2.840 0.209) 4.534 2.110 ( 2.259 2.714 -0.625) 3.586 2.272 ( 1.991 -6.791 0.543) 7.098 2.289 ( 1.596 -6.399 -0.650) 6.627 2.755 ( -5.028 2.326 0.202) 5.544 2.783 ( -6.055 1.355 -0.127) 6.206 3.016 ( 3.844 -5.562 1.990) 7.048 3.040 ( 1.007 -5.985 -1.619) 6.281 ======================= Grid point 47 (35/231) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -1.626 2.613 -0.520) 3.122 0.888 ( -1.259 2.522 0.168) 2.824 1.220 ( -3.747 5.556 -0.133) 6.702 1.234 ( -3.117 6.259 0.647) 7.022 1.307 ( -1.353 -0.765 -0.592) 1.663 1.325 ( 1.181 0.676 0.801) 1.579 1.851 ( -1.699 2.787 -1.758) 3.707 1.894 ( -1.186 2.745 2.153) 3.685 1.957 ( -0.482 0.320 -0.463) 0.741 1.981 ( -0.261 0.361 0.162) 0.474 2.155 ( -0.299 -0.622 -0.303) 0.754 2.163 ( 1.419 -0.492 0.606) 1.619 2.250 ( 3.072 -7.675 -0.747) 8.300 2.263 ( 4.894 -6.636 0.236) 8.249 2.723 ( -3.565 5.317 0.141) 6.403 2.730 ( -2.742 5.539 0.244) 6.185 3.007 ( 2.646 -6.659 -1.522) 7.325 3.035 ( 4.669 -6.233 1.596) 7.949 ======================= Grid point 48 (36/231) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -0.103 2.290 -0.365) 2.321 0.906 ( 0.538 1.954 0.231) 2.040 1.213 ( -3.026 4.781 -0.233) 5.663 1.249 ( -2.378 5.677 0.805) 6.207 1.272 ( -1.238 -1.474 -0.271) 1.943 1.347 ( 1.103 -0.993 -0.028) 1.484 1.812 ( -2.492 -0.031 -0.819) 2.623 1.855 ( -2.911 1.087 0.992) 3.262 2.005 ( 3.000 0.466 -0.243) 3.046 2.054 ( 3.780 3.433 0.176) 5.109 2.098 ( -4.507 -1.794 -0.130) 4.852 2.121 ( -3.061 -0.390 0.390) 3.110 2.264 ( 5.096 -5.044 -0.323) 7.177 2.296 ( 4.735 -4.607 0.050) 6.606 2.756 ( 0.808 5.810 0.228) 5.870 2.784 ( 1.821 5.676 0.079) 5.961 2.989 ( 2.479 -5.493 -1.037) 6.115 3.063 ( 4.898 -4.775 0.945) 6.906 ======================= Grid point 49 (37/231) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -0.281 0.000 0.000) 0.281 0.934 ( 1.202 -0.000 -0.000) 1.202 1.196 ( -3.014 0.000 0.000) 3.014 1.242 ( 0.115 -0.000 -0.000) 0.115 1.248 ( -2.769 0.000 0.000) 2.769 1.349 ( 0.831 -0.000 -0.000) 0.831 1.794 ( 0.621 -0.000 -0.000) 0.621 1.844 ( 0.635 -0.000 -0.000) 0.635 1.987 ( -5.387 0.000 0.000) 5.387 2.008 ( -2.713 0.000 0.000) 2.713 2.119 ( 2.511 -0.000 -0.000) 2.511 2.145 ( 3.615 -0.000 -0.000) 3.615 2.307 ( 2.990 -0.000 -0.000) 2.990 2.338 ( 3.174 -0.000 -0.000) 3.174 2.842 ( 4.918 -0.000 -0.000) 4.918 2.880 ( 5.516 -0.000 -0.000) 5.516 2.985 ( 0.749 -0.000 -0.000) 0.749 3.119 ( 4.624 -0.000 -0.000) 4.624 ======================= Grid point 56 (38/231) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 0.000 1.646 3.079) 3.491 0.907 ( -0.000 0.474 -0.151) 0.497 0.939 ( -0.000 -0.706 -0.273) 0.757 0.968 ( 0.000 -0.341 0.269) 0.434 1.353 ( 0.000 4.967 2.229) 5.444 1.422 ( -0.000 5.812 -1.918) 6.121 1.839 ( 0.000 -6.690 2.606) 7.180 1.934 ( 0.000 -2.868 0.127) 2.871 1.977 ( 0.000 -7.685 -2.031) 7.949 2.021 ( -0.000 -1.684 -0.802) 1.866 2.050 ( 0.000 3.134 0.869) 3.252 2.132 ( -0.000 2.939 -0.074) 2.940 2.445 ( 0.000 1.168 0.673) 1.348 2.487 ( -0.000 -0.018 -0.380) 0.381 2.779 ( 0.000 -7.699 -0.716) 7.733 2.898 ( 0.000 -11.422 -0.897) 11.457 3.156 ( 0.000 1.243 1.081) 1.647 3.363 ( -0.000 -1.283 -1.060) 1.664 ======================= Grid point 57 (39/231) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 1.866 -1.823 2.015) 3.296 0.906 ( 0.859 -2.050 -0.272) 2.240 0.988 ( 7.488 -2.696 -0.247) 7.962 1.006 ( 5.437 -1.778 0.412) 5.735 1.363 ( -2.439 0.627 2.111) 3.286 1.431 ( -2.384 0.769 -1.921) 3.157 1.798 ( 0.146 -1.543 1.811) 2.383 1.846 ( -2.699 -2.234 -0.537) 3.544 1.973 ( 2.779 -2.130 -0.952) 3.628 2.008 ( 0.872 -1.540 0.275) 1.791 2.086 ( -0.143 1.894 0.501) 1.964 2.156 ( -1.013 2.156 -0.348) 2.407 2.438 ( -2.867 1.671 0.344) 3.337 2.466 ( -2.920 0.877 -0.316) 3.065 2.727 ( 3.428 -8.348 -0.374) 9.032 2.810 ( 2.566 -10.515 -0.711) 10.847 3.142 ( -3.498 1.505 1.191) 3.990 3.311 ( -4.449 -0.882 -0.876) 4.620 ======================= Grid point 58 (40/231) ======================= q-point: ( 0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 2.926 -3.004 1.126) 4.342 0.896 ( 1.272 -3.141 -0.629) 3.446 1.106 ( 7.633 -1.347 0.524) 7.769 1.121 ( 10.064 -2.150 -0.251) 10.294 1.317 ( -2.690 -0.249 1.902) 3.304 1.375 ( -2.803 -0.692 -1.389) 3.204 1.790 ( -0.878 0.207 -0.359) 0.971 1.828 ( 0.644 0.797 0.360) 1.086 2.010 ( 2.965 -0.176 0.219) 2.978 2.035 ( 3.190 -0.233 -0.135) 3.201 2.078 ( -2.156 0.830 0.785) 2.440 2.132 ( -2.925 0.549 -0.702) 3.057 2.378 ( -5.448 0.412 0.242) 5.469 2.401 ( -5.428 0.291 -0.337) 5.447 2.729 ( 5.151 -6.659 0.387) 8.428 2.775 ( 3.985 -7.924 -0.806) 8.907 3.077 ( -5.437 0.948 1.065) 5.621 3.202 ( -7.105 -0.492 -0.635) 7.150 ======================= Grid point 59 (41/231) ======================= q-point: ( 0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 1.751 -1.451 0.255) 2.289 0.894 ( 1.621 -1.460 -0.491) 2.236 1.220 ( 5.855 0.074 0.583) 5.884 1.254 ( 5.843 -0.320 -0.436) 5.868 1.292 ( -0.838 0.860 1.601) 2.001 1.335 ( -1.512 0.355 -0.879) 1.784 1.801 ( 2.135 1.299 -0.005) 2.499 1.858 ( 0.909 3.108 -0.534) 3.282 2.019 ( -0.561 -3.349 1.204) 3.603 2.051 ( 0.573 -5.033 -0.442) 5.084 2.099 ( 1.367 4.206 0.171) 4.425 2.117 ( 0.577 3.975 -0.618) 4.063 2.266 ( -6.516 -2.190 0.486) 6.892 2.289 ( -6.492 -1.804 -0.492) 6.756 2.764 ( 4.464 -3.228 0.530) 5.534 2.781 ( 3.754 -4.182 -0.567) 5.648 2.990 ( -4.939 -0.621 0.929) 5.064 3.067 ( -7.543 -0.874 -0.534) 7.612 ======================= Grid point 60 (42/231) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 0.211 0.349 -0.320) 0.518 0.912 ( 0.564 0.380 0.044) 0.681 1.291 ( -0.424 1.792 0.531) 1.916 1.297 ( 2.062 1.264 0.255) 2.432 1.307 ( 0.043 0.431 0.295) 0.525 1.322 ( -0.469 -0.107 -0.570) 0.746 1.896 ( 5.398 3.266 0.246) 6.315 1.914 ( 0.143 5.089 -1.019) 5.192 1.984 ( -1.075 -0.716 1.273) 1.814 2.007 ( -1.649 -1.713 -0.337) 2.402 2.127 ( -1.863 -4.785 0.115) 5.136 2.152 ( -0.652 0.316 -0.259) 0.769 2.158 ( -1.741 -2.796 -0.322) 3.309 2.175 ( 0.392 -0.774 0.151) 0.881 2.813 ( 1.132 2.688 0.010) 2.917 2.818 ( 1.291 2.645 0.024) 2.944 2.915 ( -0.061 -4.959 0.876) 5.036 2.937 ( -4.589 -3.543 -0.630) 5.832 ======================= Grid point 61 (43/231) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -0.478 0.000 0.000) 0.478 0.915 ( -0.310 0.000 0.000) 0.310 1.283 ( -2.127 0.000 0.000) 2.127 1.290 ( -2.059 0.000 0.000) 2.059 1.303 ( -0.681 0.000 0.000) 0.681 1.331 ( 0.736 -0.000 -0.000) 0.736 1.894 ( -6.264 0.000 0.000) 6.264 1.935 ( -4.883 0.000 0.000) 4.883 1.960 ( 1.910 -0.000 -0.000) 1.910 2.010 ( 2.691 -0.000 -0.000) 2.691 2.126 ( 6.371 -0.000 -0.000) 6.371 2.153 ( -1.969 0.000 0.000) 1.969 2.169 ( 6.379 -0.000 -0.000) 6.379 2.170 ( -1.689 0.000 0.000) 1.689 2.813 ( -3.307 0.000 0.000) 3.307 2.817 ( -2.713 0.000 0.000) 2.713 2.901 ( 3.871 -0.000 -0.000) 3.871 2.946 ( 5.672 -0.000 -0.000) 5.672 ======================= Grid point 70 (44/231) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 0.000 -4.512 1.376) 4.718 0.864 ( 0.000 -4.491 -0.285) 4.500 0.881 ( 0.000 -4.233 -0.191) 4.237 0.928 ( 0.000 -3.125 0.186) 3.131 1.377 ( 0.000 -2.701 1.962) 3.339 1.437 ( -0.000 -2.839 -1.748) 3.334 1.802 ( 0.000 2.088 2.602) 3.336 1.880 ( 0.000 -2.188 -0.053) 2.189 1.886 ( -0.000 -0.248 -1.795) 1.812 1.976 ( 0.000 -1.963 -0.083) 1.965 2.132 ( -0.000 3.965 0.405) 3.986 2.205 ( -0.000 3.699 -0.209) 3.705 2.478 ( -0.000 0.163 -0.101) 0.192 2.496 ( -0.000 -0.122 -0.202) 0.236 2.623 ( 0.000 -5.656 0.021) 5.656 2.691 ( 0.000 -8.163 -0.439) 8.174 3.185 ( 0.000 0.771 0.929) 1.207 3.338 ( -0.000 -1.039 -0.680) 1.242 ======================= Grid point 71 (45/231) ======================= q-point: ( 0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 2.708 -4.592 0.823) 5.394 0.828 ( 1.599 -4.723 -0.564) 5.018 0.920 ( 8.694 -3.340 -0.055) 9.313 0.958 ( 6.563 -2.508 0.125) 7.027 1.339 ( -1.094 -2.490 1.543) 3.126 1.389 ( -1.207 -2.939 -1.113) 3.366 1.825 ( -1.891 1.489 -0.004) 2.407 1.846 ( -0.303 2.729 0.940) 2.902 1.933 ( 3.203 -0.766 -0.617) 3.351 1.972 ( 1.488 -1.967 -0.106) 2.468 2.150 ( -1.924 3.150 0.369) 3.710 2.212 ( -2.687 3.005 -0.253) 4.039 2.445 ( -1.719 -2.333 -0.097) 2.900 2.469 ( -2.265 -1.380 -0.186) 2.659 2.606 ( 2.079 -2.787 0.432) 3.504 2.650 ( 2.084 -4.411 -0.412) 4.896 3.163 ( -3.264 0.362 0.627) 3.343 3.293 ( -4.003 -0.671 -0.418) 4.081 ======================= Grid point 72 (46/231) ======================= q-point: ( 0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 4.623 -1.990 0.340) 5.045 0.832 ( 2.971 -2.194 -0.430) 3.718 1.079 ( 10.361 -1.069 0.065) 10.416 1.086 ( 10.463 -1.032 -0.001) 10.514 1.310 ( -0.682 -0.545 0.846) 1.216 1.351 ( -0.842 -0.849 -0.496) 1.295 1.805 ( -1.086 0.916 -0.337) 1.459 1.880 ( 0.108 3.833 0.513) 3.869 1.960 ( 1.899 -3.151 0.217) 3.685 1.976 ( 2.021 -3.219 -0.443) 3.827 2.146 ( -1.751 2.895 0.212) 3.390 2.193 ( -2.810 3.438 -0.223) 4.446 2.368 ( -5.665 -1.316 0.198) 5.819 2.391 ( -5.591 -0.956 -0.252) 5.678 2.639 ( 4.942 -2.364 0.382) 5.492 2.666 ( 4.072 -2.658 -0.287) 4.871 3.090 ( -5.547 0.178 0.316) 5.559 3.193 ( -6.933 -0.211 -0.188) 6.939 ======================= Grid point 73 (47/231) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 2.730 -0.000 -0.000) 2.730 0.877 ( 3.293 -0.000 -0.000) 3.293 1.221 ( 6.911 -0.000 -0.000) 6.911 1.248 ( 7.108 -0.000 -0.000) 7.108 1.303 ( -0.154 0.000 0.000) 0.154 1.336 ( -0.686 0.000 0.000) 0.686 1.823 ( 3.170 -0.000 -0.000) 3.170 1.937 ( 2.941 -0.000 -0.000) 2.941 1.946 ( 0.392 -0.000 -0.000) 0.392 1.981 ( 0.554 -0.000 -0.000) 0.554 2.148 ( 0.215 -0.000 -0.000) 0.215 2.180 ( -0.993 0.000 0.000) 0.993 2.232 ( -8.847 0.000 0.000) 8.847 2.264 ( -8.267 0.000 0.000) 8.267 2.729 ( 6.668 -0.000 -0.000) 6.668 2.735 ( 5.422 -0.000 -0.000) 5.422 2.986 ( -6.494 0.000 0.000) 6.494 3.059 ( -8.469 0.000 0.000) 8.469 ======================= Grid point 85 (48/231) ======================= q-point: ( 0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 0.000 -3.560 0.397) 3.582 0.767 ( 0.000 -3.632 -0.388) 3.653 0.808 ( 0.000 -2.319 -0.053) 2.320 0.875 ( 0.000 -1.713 0.056) 1.714 1.324 ( 0.000 -2.003 0.894) 2.193 1.367 ( 0.000 -2.340 -0.553) 2.405 1.852 ( 0.000 -0.714 -0.043) 0.715 1.879 ( 0.000 3.105 0.963) 3.251 1.914 ( -0.000 1.978 -0.819) 2.141 1.950 ( 0.000 -0.677 -0.000) 0.677 2.190 ( -0.000 1.560 0.148) 1.567 2.257 ( -0.000 1.472 -0.090) 1.475 2.405 ( 0.000 -3.947 -0.149) 3.950 2.453 ( 0.000 -3.188 -0.027) 3.188 2.596 ( 0.000 0.592 0.250) 0.643 2.624 ( -0.000 0.019 -0.184) 0.185 3.193 ( 0.000 0.030 0.315) 0.317 3.320 ( -0.000 -0.469 -0.213) 0.515 ======================= Grid point 86 (49/231) ======================= q-point: (-0.46 -0.54 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 3.627 -0.000 -0.000) 3.627 0.770 ( 2.384 -0.000 -0.000) 2.384 0.883 ( 9.392 -0.000 -0.000) 9.392 0.931 ( 7.035 -0.000 -0.000) 7.035 1.313 ( -0.181 0.000 0.000) 0.181 1.353 ( -0.253 0.000 0.000) 0.253 1.834 ( -1.456 0.000 0.000) 1.456 1.905 ( 1.036 -0.000 -0.000) 1.036 1.933 ( -1.325 0.000 0.000) 1.325 1.934 ( 1.157 -0.000 -0.000) 1.157 2.187 ( -1.232 0.000 0.000) 1.232 2.249 ( -1.726 0.000 0.000) 1.726 2.398 ( 0.641 -0.000 -0.000) 0.641 2.435 ( -0.684 0.000 0.000) 0.684 2.592 ( -0.217 0.000 0.000) 0.217 2.620 ( 0.096 -0.000 -0.000) 0.096 3.166 ( -3.148 0.000 0.000) 3.148 3.285 ( -3.822 0.000 0.000) 3.822 ======================= Grid point 187 (50/231) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.049 ( 0.000 -0.000 8.834) 8.834 0.049 ( 0.000 -0.000 8.834) 8.834 0.114 ( 0.000 -0.000 20.580) 20.580 0.384 ( -0.000 0.000 -0.928) 0.928 0.384 ( -0.000 0.000 -0.928) 0.928 0.644 ( -0.000 0.000 -0.262) 0.262 1.908 ( 0.000 -0.000 0.297) 0.297 1.908 ( 0.000 -0.000 0.297) 0.297 1.978 ( -0.000 0.000 -0.428) 0.428 1.978 ( -0.000 0.000 -0.428) 0.428 2.251 ( 0.000 -0.000 0.385) 0.385 2.251 ( 0.000 -0.000 0.385) 0.385 2.303 ( -0.000 0.000 -0.209) 0.209 2.303 ( -0.000 0.000 -0.209) 0.209 2.642 ( 0.000 -0.000 0.833) 0.833 2.756 ( -0.000 0.000 -0.342) 0.342 3.725 ( 0.000 -0.000 2.745) 2.745 3.762 ( -0.000 0.000 -4.837) 4.837 ======================= Grid point 188 (51/231) ======================= q-point: ( 0.15 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.288 ( 9.143 5.279 10.281) 14.736 0.371 ( 15.168 8.757 1.437) 17.573 0.472 ( 19.676 11.360 1.213) 22.753 0.515 ( 9.746 5.627 -0.984) 11.297 0.589 ( 13.670 7.893 -1.201) 15.831 0.682 ( 3.475 2.006 0.049) 4.012 1.911 ( 0.137 0.079 0.681) 0.699 1.975 ( -0.032 -0.019 -0.854) 0.854 2.140 ( 9.152 5.284 1.493) 10.673 2.224 ( -2.307 -1.332 0.587) 2.728 2.258 ( 0.236 0.136 -0.034) 0.275 2.279 ( -2.038 -1.176 -0.349) 2.379 2.300 ( 2.437 1.407 0.154) 2.818 2.622 ( -1.604 -0.926 1.286) 2.255 2.716 ( -3.064 -1.769 -0.942) 3.661 3.131 ( 11.064 6.388 -35.710) 37.927 3.533 ( -7.837 -4.525 8.590) 12.477 3.663 ( -5.615 -3.242 2.994) 7.142 ======================= Grid point 189 (52/231) ======================= q-point: ( 0.23 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 8.942 5.163 6.746) 12.334 0.685 ( 11.876 6.856 0.840) 13.739 0.743 ( 9.419 5.438 -0.818) 10.907 0.759 ( 4.702 2.715 -1.293) 5.581 0.899 ( 16.690 9.636 0.100) 19.272 0.914 ( 13.345 7.705 0.611) 15.422 1.921 ( 0.645 0.372 0.895) 1.164 1.979 ( 0.662 0.382 -1.202) 1.424 2.142 ( -5.032 -2.905 1.023) 5.900 2.155 ( -3.693 -2.132 1.044) 4.390 2.213 ( -3.510 -2.026 -0.648) 4.104 2.238 ( -2.229 -1.287 -1.186) 2.834 2.470 ( 2.476 1.429 1.719) 3.336 2.623 ( -4.674 -2.699 -0.823) 5.460 2.652 ( 7.657 4.421 3.766) 9.611 3.188 ( -0.008 -0.004 -15.243) 15.243 3.379 ( -7.255 -4.189 2.781) 8.827 3.510 ( -7.293 -4.210 1.851) 8.622 ======================= Grid point 190 (53/231) ======================= q-point: ( 0.31 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 6.701 3.869 4.959) 9.190 0.852 ( 3.426 1.978 -1.336) 4.175 0.892 ( 5.925 3.421 0.586) 6.866 0.908 ( 4.801 2.772 -0.664) 5.583 1.174 ( 9.469 5.467 0.770) 10.961 1.236 ( 12.248 7.071 -0.232) 14.144 1.947 ( 1.418 0.818 0.867) 1.852 1.995 ( -7.688 -4.438 1.635) 9.026 2.001 ( 1.135 0.655 -1.570) 2.045 2.079 ( -2.531 -1.461 1.808) 3.436 2.129 ( -3.274 -1.890 -0.998) 3.910 2.141 ( -6.037 -3.486 -1.811) 7.203 2.450 ( -1.494 -0.863 1.097) 2.044 2.523 ( -3.393 -1.959 -0.801) 3.998 2.835 ( 3.935 2.272 2.870) 5.374 3.092 ( -6.612 -3.818 -5.839) 9.612 3.215 ( -6.076 -3.508 1.675) 7.213 3.391 ( -3.013 -1.740 -1.521) 3.797 ======================= Grid point 191 (54/231) ======================= q-point: ( 0.38 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 2.009 1.160 3.592) 4.276 0.892 ( -0.027 -0.016 -1.258) 1.259 0.952 ( -0.348 -0.201 -0.532) 0.667 0.954 ( -0.494 -0.285 0.465) 0.736 1.332 ( 4.030 2.327 1.018) 4.764 1.438 ( 5.234 3.022 -0.924) 6.114 1.829 ( -6.095 -3.519 2.196) 7.373 1.952 ( -1.588 -0.917 1.309) 2.253 1.980 ( -6.779 -3.914 -1.864) 8.047 1.986 ( -2.117 -1.222 -1.841) 3.060 2.083 ( 2.381 1.375 1.762) 3.266 2.115 ( 2.611 1.507 -1.143) 3.224 2.447 ( 1.236 0.714 0.783) 1.628 2.484 ( 0.056 0.032 -0.750) 0.753 2.788 ( -6.493 -3.748 -0.824) 7.542 2.879 ( -10.567 -6.101 -0.711) 12.222 3.184 ( 1.565 0.904 2.782) 3.318 3.339 ( -1.702 -0.983 -2.766) 3.394 ======================= Grid point 192 (55/231) ======================= q-point: ( 0.46 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -3.191 -1.843 2.453) 4.427 0.842 ( -3.865 -2.231 -1.227) 4.629 0.900 ( -3.323 -1.919 -0.375) 3.856 0.909 ( -2.964 -1.711 0.368) 3.443 1.350 ( -1.963 -1.133 1.114) 2.526 1.452 ( -3.399 -1.962 -1.344) 4.148 1.783 ( 1.890 1.091 2.139) 3.057 1.889 ( -0.367 -0.212 -1.397) 1.460 1.915 ( -1.549 -0.894 1.250) 2.182 1.930 ( -1.916 -1.106 -1.462) 2.652 2.163 ( 3.569 2.061 1.601) 4.422 2.184 ( 2.913 1.682 -1.347) 3.623 2.488 ( 1.042 0.601 0.222) 1.223 2.501 ( 0.281 0.162 -0.549) 0.637 2.628 ( -5.857 -3.381 -0.047) 6.763 2.656 ( -7.682 -4.435 -0.464) 8.883 3.227 ( 1.299 0.750 3.080) 3.426 3.296 ( -1.689 -0.975 -2.836) 3.442 ======================= Grid point 193 (56/231) ======================= q-point: ( 0.54 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -2.990 -1.726 0.590) 3.503 0.752 ( -2.688 -1.552 -0.415) 3.132 0.833 ( -1.885 -1.088 -0.812) 2.323 0.851 ( -1.567 -0.904 0.799) 1.978 1.313 ( -0.380 -0.219 1.277) 1.350 1.350 ( -3.838 -2.216 -0.844) 4.512 1.870 ( 3.942 2.276 1.068) 4.676 1.887 ( -0.790 -0.456 -1.364) 1.641 1.906 ( -0.358 -0.207 1.420) 1.479 1.911 ( 0.673 0.388 -0.668) 1.025 2.226 ( 0.855 0.494 -1.374) 1.692 2.229 ( 1.708 0.986 1.356) 2.393 2.426 ( -3.702 -2.137 -0.935) 4.376 2.439 ( -3.339 -1.928 0.621) 3.906 2.595 ( 0.878 0.507 0.655) 1.207 2.597 ( 0.321 0.185 -0.279) 0.464 3.253 ( -0.255 -0.147 -0.202) 0.357 3.258 ( -0.222 -0.128 0.345) 0.430 ======================= Grid point 194 (57/231) ======================= q-point: (-0.38 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 2.282 1.317 -0.962) 2.805 0.759 ( 3.202 1.848 0.803) 3.783 0.830 ( 1.764 1.019 -1.122) 2.326 0.855 ( 1.681 0.971 1.078) 2.221 1.306 ( 0.422 0.244 -0.098) 0.497 1.359 ( 3.887 2.244 0.842) 4.567 1.862 ( -4.327 -2.498 -0.297) 5.005 1.879 ( 0.381 0.220 -1.679) 1.735 1.915 ( 0.862 0.498 1.971) 2.208 1.917 ( -0.463 -0.267 0.454) 0.701 2.213 ( -1.762 -1.017 -1.434) 2.489 2.241 ( -0.896 -0.517 1.200) 1.584 2.427 ( 3.743 2.161 -0.864) 4.408 2.440 ( 3.409 1.968 0.807) 4.019 2.589 ( -0.916 -0.529 -0.196) 1.076 2.605 ( -0.137 -0.079 0.963) 0.976 3.226 ( -0.888 -0.513 -2.432) 2.640 3.284 ( 1.290 0.745 2.450) 2.867 ======================= Grid point 195 (58/231) ======================= q-point: (-0.31 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 2.858 1.650 -0.946) 3.433 0.856 ( 3.946 2.278 1.138) 4.697 0.894 ( 3.454 1.994 -0.875) 4.083 0.915 ( 2.868 1.656 0.884) 3.427 1.346 ( 1.937 1.118 0.405) 2.273 1.460 ( 3.347 1.932 0.057) 3.865 1.769 ( -2.189 -1.264 -0.321) 2.548 1.898 ( 1.537 0.888 -1.446) 2.289 1.900 ( 0.571 0.330 0.487) 0.820 1.952 ( 2.045 1.181 1.964) 3.071 2.146 ( -3.635 -2.099 -1.397) 4.424 2.196 ( -2.987 -1.724 0.928) 3.571 2.485 ( -1.193 -0.689 -0.370) 1.426 2.504 ( -0.058 -0.034 -0.078) 0.103 2.629 ( 6.357 3.670 -0.025) 7.341 2.665 ( 7.323 4.228 1.356) 8.564 3.199 ( -1.235 -0.713 -1.946) 2.413 3.322 ( 1.614 0.932 1.879) 2.647 ======================= Grid point 196 (59/231) ======================= q-point: (-0.23 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -2.407 -1.389 -0.352) 2.801 0.906 ( -0.003 -0.002 0.844) 0.844 0.947 ( 0.466 0.269 -0.570) 0.784 0.960 ( 0.407 0.235 0.665) 0.815 1.327 ( -4.198 -2.424 0.412) 4.865 1.441 ( -5.335 -3.080 -0.299) 6.168 1.816 ( 6.109 3.527 -0.107) 7.055 1.940 ( 1.982 1.144 -0.813) 2.428 1.992 ( 6.895 3.981 0.234) 7.966 2.006 ( 1.840 1.062 1.784) 2.774 2.064 ( -2.510 -1.449 -1.689) 3.355 2.126 ( -2.626 -1.516 0.738) 3.120 2.442 ( -1.330 -0.768 -0.216) 1.551 2.489 ( 0.020 0.012 0.201) 0.203 2.792 ( 6.085 3.513 -0.248) 7.030 2.886 ( 10.798 6.234 0.919) 12.502 3.165 ( -1.011 -0.584 -1.215) 1.684 3.361 ( 1.541 0.890 1.211) 2.153 ======================= Grid point 197 (60/231) ======================= q-point: (-0.15 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -7.290 -4.209 0.439) 8.429 0.863 ( -3.508 -2.025 0.163) 4.054 0.887 ( -5.942 -3.431 -0.355) 6.870 0.914 ( -4.790 -2.765 0.501) 5.554 1.170 ( -9.451 -5.457 0.411) 10.921 1.236 ( -12.328 -7.118 -0.227) 14.237 1.940 ( -1.520 -0.878 -0.365) 1.793 1.986 ( 7.716 4.455 -0.029) 8.910 2.016 ( -1.512 -0.873 0.893) 1.962 2.062 ( 3.137 1.811 -1.096) 3.784 2.138 ( 3.140 1.813 0.572) 3.671 2.152 ( 6.059 3.498 -0.002) 6.996 2.444 ( 1.427 0.824 0.011) 1.648 2.528 ( 3.388 1.956 0.047) 3.912 2.814 ( -4.983 -2.877 -0.506) 5.776 3.129 ( 9.831 5.676 0.969) 11.393 3.205 ( 5.154 2.976 -0.843) 6.010 3.401 ( 2.243 1.295 0.513) 2.640 ======================= Grid point 198 (61/231) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( -9.724 -5.614 1.826) 11.376 0.680 ( -11.912 -6.877 -0.043) 13.755 0.749 ( -9.429 -5.444 0.232) 10.890 0.765 ( -4.815 -2.780 -0.572) 5.590 0.898 ( -16.759 -9.676 -0.204) 19.352 0.911 ( -13.283 -7.669 0.659) 15.352 1.913 ( -0.630 -0.364 -0.374) 0.818 1.987 ( -0.757 -0.437 0.333) 0.935 2.136 ( 5.045 2.913 -0.030) 5.825 2.149 ( 3.913 2.259 -0.095) 4.519 2.218 ( 3.371 1.946 0.145) 3.895 2.244 ( 2.100 1.213 -0.151) 2.430 2.463 ( -3.081 -1.779 0.258) 3.567 2.625 ( 3.386 1.955 -0.356) 3.926 2.634 ( -5.606 -3.237 0.667) 6.508 3.280 ( 2.952 1.704 -5.618) 6.571 3.347 ( 6.352 3.667 2.969) 7.913 3.500 ( 6.690 3.862 0.840) 7.770 ======================= Grid point 201 (62/231) ======================= q-point: ( 0.15 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.310 ( 0.000 9.997 11.759) 15.434 0.373 ( -0.000 17.263 1.663) 17.343 0.473 ( -0.000 22.394 1.451) 22.441 0.516 ( -0.000 11.440 -0.905) 11.475 0.586 ( -0.000 15.609 -1.468) 15.677 0.683 ( -0.000 4.406 0.140) 4.408 1.907 ( 0.000 -0.056 0.198) 0.206 1.979 ( -0.000 0.171 -0.426) 0.459 2.137 ( -0.000 10.437 1.090) 10.494 2.225 ( 0.000 -2.740 0.630) 2.811 2.259 ( 0.000 0.120 0.075) 0.142 2.279 ( 0.000 -2.277 -0.334) 2.301 2.302 ( -0.000 3.205 0.411) 3.231 2.624 ( 0.000 -1.844 1.576) 2.426 2.714 ( -0.000 -3.455 -1.283) 3.685 3.067 ( -0.000 16.835 -36.447) 40.147 3.546 ( 0.000 -9.540 5.911) 11.223 3.670 ( 0.000 -6.496 3.236) 7.258 ======================= Grid point 202 (63/231) ======================= q-point: ( 0.23 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 5.013 8.966 8.744) 13.490 0.618 ( 7.812 13.288 0.955) 15.444 0.696 ( 6.151 11.253 -0.669) 12.842 0.736 ( 3.459 5.500 -1.482) 6.664 0.781 ( 9.913 17.227 0.536) 19.883 0.827 ( 7.215 12.886 0.563) 14.779 1.916 ( 0.565 0.164 0.387) 0.705 1.966 ( -0.745 -0.609 -0.854) 1.287 2.143 ( -2.965 -5.169 0.828) 6.016 2.168 ( -1.950 -3.714 0.178) 4.199 2.257 ( -1.109 -1.672 -0.042) 2.007 2.279 ( 0.057 0.110 -0.657) 0.668 2.433 ( 4.581 7.728 3.111) 9.508 2.623 ( 1.917 2.997 3.087) 4.710 2.648 ( -2.637 -4.516 -1.037) 5.331 3.153 ( 2.098 4.172 -19.704) 20.250 3.430 ( -3.943 -7.000 2.280) 8.352 3.553 ( -5.030 -8.507 2.721) 10.250 ======================= Grid point 203 (64/231) ======================= q-point: ( 0.31 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 5.621 6.966 6.387) 10.996 0.811 ( 3.966 4.389 -0.780) 5.966 0.880 ( 4.602 10.041 0.089) 11.045 0.896 ( 4.261 9.262 -0.374) 10.202 1.076 ( 8.763 7.998 0.737) 11.886 1.106 ( 11.502 10.145 -0.142) 15.337 1.926 ( 0.562 -0.659 -0.041) 0.867 1.950 ( 1.092 -2.197 -0.719) 2.557 2.040 ( -2.611 -6.834 1.201) 7.414 2.069 ( -3.491 -4.836 0.456) 5.982 2.204 ( -4.153 0.606 -0.201) 4.202 2.245 ( -4.098 0.220 -0.989) 4.221 2.455 ( -1.174 -2.804 1.634) 3.451 2.546 ( -3.258 -4.544 -0.936) 5.669 2.800 ( 6.175 7.563 4.773) 10.868 3.134 ( -2.664 -1.330 -10.722) 11.128 3.290 ( -6.917 -4.858 1.283) 8.549 3.385 ( -2.899 -8.577 0.361) 9.061 ======================= Grid point 204 (65/231) ======================= q-point: ( 0.38 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 3.102 4.339 4.545) 7.008 0.888 ( 1.373 2.158 -1.015) 2.752 0.994 ( -0.772 6.032 -0.214) 6.085 1.006 ( -1.002 6.910 0.203) 6.985 1.264 ( 6.511 2.741 1.185) 7.163 1.348 ( 8.386 3.890 -0.852) 9.284 1.880 ( -3.743 -4.575 0.572) 5.939 1.926 ( -1.805 -6.269 -0.049) 6.524 1.970 ( 2.084 -0.504 0.478) 2.196 2.009 ( 0.746 -2.594 0.165) 2.705 2.140 ( -4.219 2.024 -0.829) 4.752 2.153 ( -6.202 1.201 -0.268) 6.323 2.423 ( 0.770 -2.218 1.143) 2.611 2.469 ( -0.562 -3.192 -0.814) 3.342 2.871 ( -4.820 0.661 0.285) 4.874 3.012 ( -9.204 -2.720 -2.808) 10.000 3.150 ( 0.236 -4.003 3.139) 5.092 3.311 ( 0.847 -5.212 -2.823) 5.988 ======================= Grid point 205 (66/231) ======================= q-point: ( 0.46 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -2.010 1.001 2.959) 3.714 0.886 ( -2.688 -0.132 -1.031) 2.882 0.991 ( -4.811 4.336 -0.346) 6.485 1.001 ( -5.449 4.580 0.452) 7.133 1.342 ( 1.659 -1.601 1.402) 2.699 1.445 ( 1.676 -1.867 -1.450) 2.898 1.789 ( -1.943 -0.749 1.497) 2.564 1.858 ( 0.053 -3.575 -0.174) 3.579 1.967 ( -2.453 0.152 -0.980) 2.646 1.990 ( -3.387 1.494 0.026) 3.702 2.114 ( 2.252 0.190 1.530) 2.730 2.139 ( 2.133 0.549 -1.278) 2.547 2.444 ( 3.139 -1.573 0.625) 3.567 2.463 ( 2.453 -1.998 -0.690) 3.238 2.730 ( -8.509 -1.606 -0.600) 8.679 2.791 ( -11.492 -2.619 -0.559) 11.800 3.183 ( 3.683 -2.248 3.423) 5.508 3.273 ( 0.662 -4.421 -3.037) 5.405 ======================= Grid point 206 (67/231) ======================= q-point: ( 0.54 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -5.047 -0.069 1.407) 5.240 0.808 ( -4.737 -0.345 -0.885) 4.831 0.934 ( -6.491 5.212 -0.509) 8.340 0.945 ( -6.019 4.977 0.592) 7.833 1.322 ( -0.896 -1.516 1.647) 2.412 1.387 ( -3.370 -3.313 -1.257) 4.890 1.813 ( 3.222 0.650 0.580) 3.338 1.867 ( 2.691 -0.717 0.383) 2.811 1.925 ( -2.705 1.700 -0.634) 3.257 1.948 ( -2.984 1.555 0.208) 3.371 2.182 ( 4.357 -0.497 1.345) 4.587 2.188 ( 3.190 -0.626 -1.309) 3.504 2.461 ( -0.241 -2.812 -0.006) 2.822 2.468 ( -0.597 -2.828 -0.530) 2.939 2.607 ( -3.681 0.493 0.752) 3.789 2.618 ( -5.370 0.031 -0.338) 5.381 3.219 ( 2.711 -2.610 2.723) 4.645 3.235 ( 0.512 -3.939 -2.487) 4.687 ======================= Grid point 207 (68/231) ======================= q-point: (-0.38 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -2.175 2.477 -0.607) 3.352 0.763 ( -0.951 2.753 0.473) 2.951 0.898 ( -4.401 7.354 -0.791) 8.607 0.917 ( -3.760 6.691 0.749) 7.712 1.312 ( -1.422 -0.894 -0.253) 1.698 1.329 ( 1.529 0.778 1.128) 2.053 1.856 ( 1.236 -1.246 -1.308) 2.189 1.893 ( -1.149 -2.036 1.482) 2.768 1.910 ( 0.042 1.147 0.133) 1.155 1.930 ( 0.064 1.791 0.246) 1.809 2.210 ( 0.251 -1.577 -1.319) 2.071 2.231 ( 1.289 -1.187 1.190) 2.118 2.413 ( -0.319 0.357 -0.886) 1.007 2.429 ( 0.130 0.085 0.578) 0.598 2.588 ( -0.167 -0.366 -0.184) 0.442 2.599 ( 0.396 0.146 1.022) 1.106 3.202 ( 0.704 -3.503 -2.379) 4.292 3.245 ( 2.729 -2.582 2.497) 4.511 ======================= Grid point 208 (69/231) ======================= q-point: (-0.31 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 1.872 4.115 -0.716) 4.577 0.826 ( 3.074 4.074 0.885) 5.180 0.929 ( -1.351 8.612 -0.675) 8.744 0.949 ( -1.240 7.252 0.623) 7.384 1.313 ( 1.917 -0.021 0.440) 1.967 1.400 ( 4.500 1.171 0.186) 4.653 1.809 ( -3.541 -2.008 0.389) 4.090 1.854 ( 0.185 -2.227 -1.003) 2.450 1.936 ( 0.268 2.881 0.421) 2.924 1.957 ( 0.107 2.909 1.043) 3.092 2.160 ( -1.978 -3.780 -1.113) 4.410 2.206 ( -1.018 -3.375 0.798) 3.614 2.456 ( 2.721 -1.268 -0.556) 3.053 2.473 ( 2.652 -0.858 -0.031) 2.788 2.601 ( 1.827 3.778 -0.045) 4.196 2.632 ( 2.621 4.366 1.321) 5.262 3.178 ( 0.738 -3.530 -1.872) 4.063 3.274 ( 3.232 -2.611 1.882) 4.561 ======================= Grid point 209 (70/231) ======================= q-point: (-0.23 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -0.410 2.116 -0.062) 2.156 0.905 ( 1.458 2.167 0.748) 2.716 0.994 ( -1.272 7.586 -0.428) 7.704 0.998 ( -1.217 5.678 0.449) 5.824 1.336 ( 0.434 -2.446 0.793) 2.608 1.453 ( 0.723 -2.525 -0.559) 2.685 1.777 ( 1.057 2.102 0.325) 2.375 1.855 ( 3.216 -1.834 -0.468) 3.732 1.985 ( 1.424 3.001 -0.001) 3.322 1.992 ( 0.337 1.864 1.067) 2.174 2.092 ( -1.327 -1.282 -1.005) 2.101 2.154 ( -1.489 -1.700 0.548) 2.325 2.437 ( -0.356 -3.556 -0.192) 3.579 2.470 ( 0.665 -3.049 0.027) 3.121 2.738 ( 5.972 6.937 -0.256) 9.157 2.799 ( 8.007 8.243 0.998) 11.535 3.146 ( 0.224 -4.127 -1.291) 4.330 3.307 ( 3.483 -3.025 1.175) 4.760 ======================= Grid point 210 (71/231) ======================= q-point: (-0.15 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -6.042 -0.824 1.017) 6.182 0.904 ( -2.686 -0.257 0.006) 2.698 0.997 ( -5.268 3.953 0.127) 6.587 1.003 ( -4.906 3.979 -0.084) 6.317 1.257 ( -5.689 -4.498 0.837) 7.300 1.351 ( -7.662 -5.275 -0.467) 9.314 1.877 ( 6.334 2.266 0.089) 6.728 1.921 ( 5.232 -1.277 0.083) 5.386 1.971 ( -0.236 -2.923 -0.376) 2.956 2.005 ( 1.555 -2.609 0.233) 3.047 2.147 ( 1.817 5.668 -0.183) 5.955 2.157 ( 1.190 5.054 0.237) 5.197 2.415 ( 1.369 -1.842 0.093) 2.297 2.476 ( 3.112 -1.168 -0.022) 3.324 2.863 ( -0.264 3.529 -0.105) 3.540 3.035 ( 9.498 8.232 0.600) 12.583 3.128 ( 3.881 -2.393 -1.062) 4.682 3.336 ( 3.672 -3.750 0.460) 5.269 ======================= Grid point 211 (72/231) ======================= q-point: (-0.08 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -9.749 -1.770 2.442) 10.205 0.819 ( -6.474 -1.349 -0.475) 6.630 0.880 ( -10.664 1.298 -0.198) 10.745 0.899 ( -9.857 0.619 0.036) 9.876 1.071 ( -11.145 -3.881 0.683) 11.821 1.106 ( -14.721 -4.773 -0.123) 15.476 1.925 ( -0.895 -0.310 -0.119) 0.955 1.954 ( 2.395 -2.037 -0.298) 3.158 2.033 ( 7.236 -1.816 0.413) 7.472 2.064 ( 6.024 1.400 0.048) 6.185 2.208 ( 1.424 3.431 0.214) 3.721 2.251 ( 2.010 3.601 -0.418) 4.145 2.446 ( 2.839 -0.501 0.407) 2.911 2.552 ( 5.615 0.533 -0.270) 5.647 2.766 ( -10.175 -1.548 1.341) 10.379 3.225 ( 6.099 2.277 -7.478) 9.915 3.263 ( 7.270 4.559 3.929) 9.437 3.381 ( 7.419 -3.221 0.949) 8.143 ======================= Grid point 215 (73/231) ======================= q-point: ( 0.23 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 0.000 9.834 8.388) 12.925 0.684 ( -0.000 13.386 0.697) 13.404 0.748 ( -0.000 11.163 -0.461) 11.173 0.754 ( -0.000 5.750 -0.780) 5.802 0.897 ( -0.000 18.907 -0.010) 18.907 0.921 ( -0.000 15.654 0.533) 15.663 1.913 ( 0.000 0.709 0.270) 0.758 1.986 ( -0.000 0.870 -0.632) 1.075 2.141 ( 0.000 -5.590 1.029) 5.684 2.153 ( 0.000 -4.612 0.874) 4.694 2.216 ( 0.000 -3.768 -0.412) 3.790 2.236 ( -0.000 -2.728 -1.321) 3.031 2.477 ( 0.000 2.590 2.540) 3.628 2.619 ( 0.000 -5.093 -0.978) 5.186 2.661 ( 0.000 8.613 4.195) 9.580 3.137 ( -0.000 2.310 -16.307) 16.470 3.384 ( 0.000 -8.777 1.501) 8.904 3.520 ( 0.000 -8.554 1.640) 8.710 ======================= Grid point 216 (74/231) ======================= q-point: ( 0.31 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 2.894 8.229 6.629) 10.956 0.812 ( 1.790 5.883 -0.414) 6.163 0.879 ( 6.676 8.848 0.090) 11.085 0.898 ( 5.340 8.478 -0.160) 10.021 1.082 ( 2.353 12.074 1.015) 12.343 1.103 ( 3.138 14.643 -0.577) 14.987 1.924 ( -0.008 0.677 -0.143) 0.692 1.949 ( -3.422 -0.856 -0.676) 3.591 2.042 ( -4.557 -5.467 1.230) 7.223 2.067 ( -2.003 -5.623 0.369) 5.980 2.210 ( 2.216 -2.914 0.120) 3.663 2.241 ( 2.313 -3.605 -1.197) 4.447 2.458 ( -1.873 -2.509 1.873) 3.648 2.545 ( -2.338 -4.963 -0.932) 5.564 2.804 ( 3.948 8.795 5.007) 10.863 3.117 ( -0.084 -2.355 -10.997) 11.247 3.287 ( -0.798 -8.598 0.702) 8.664 3.393 ( -6.051 -6.502 0.527) 8.898 ======================= Grid point 217 (75/231) ======================= q-point: ( 0.38 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 3.162 5.604 4.741) 7.993 0.888 ( 1.649 3.436 -0.536) 3.849 1.052 ( 3.390 6.408 0.083) 7.250 1.069 ( 4.502 7.248 -0.101) 8.533 1.211 ( 2.420 5.290 1.598) 6.032 1.270 ( 4.171 6.456 -1.145) 7.771 1.880 ( -1.676 -3.379 -0.912) 3.881 1.912 ( -1.443 -1.449 -1.893) 2.786 1.947 ( -1.273 -3.117 2.419) 4.146 1.983 ( -1.642 -2.810 1.135) 3.447 2.206 ( -0.901 -0.943 -0.461) 1.383 2.221 ( -1.121 -2.125 -0.553) 2.466 2.400 ( -1.569 -2.819 1.439) 3.533 2.452 ( -2.521 -4.126 -0.766) 4.896 2.942 ( 2.137 4.642 3.556) 6.226 3.033 ( -2.274 -5.781 -5.080) 8.024 3.186 ( -4.094 -9.960 1.031) 10.818 3.233 ( -3.455 -2.108 -2.105) 4.562 ======================= Grid point 218 (76/231) ======================= q-point: ( 0.46 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 0.234 2.424 2.920) 3.803 0.920 ( -0.760 1.070 -0.554) 1.425 1.116 ( -2.660 5.850 0.440) 6.442 1.144 ( -3.329 6.515 -0.446) 7.330 1.283 ( 3.185 -0.866 1.899) 3.808 1.368 ( 4.361 -1.077 -1.409) 4.707 1.828 ( -0.783 -2.256 -0.115) 2.391 1.836 ( -3.541 -1.464 -0.836) 3.922 1.956 ( 2.827 -0.098 1.243) 3.090 1.987 ( 2.492 0.296 0.433) 2.546 2.153 ( -4.087 -0.729 -0.029) 4.152 2.164 ( -3.769 -0.129 -0.710) 3.837 2.373 ( 1.725 -3.134 0.876) 3.683 2.397 ( 0.949 -3.664 -0.617) 3.835 2.866 ( -8.307 -0.860 -1.108) 8.424 2.955 ( -8.964 -2.823 -1.281) 9.485 3.081 ( 4.209 -4.226 4.209) 7.300 3.188 ( 1.575 -5.525 -2.929) 6.449 ======================= Grid point 219 (77/231) ======================= q-point: ( 0.54 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -3.821 0.558 1.384) 4.102 0.882 ( -3.580 0.382 -0.707) 3.670 1.105 ( -5.432 6.667 0.479) 8.613 1.117 ( -6.305 6.565 -0.223) 9.105 1.307 ( 1.180 -1.817 1.998) 2.947 1.381 ( 0.128 -3.124 -1.516) 3.475 1.794 ( -0.419 0.588 -0.510) 0.884 1.822 ( 1.647 -0.598 0.485) 1.818 1.998 ( -1.803 3.038 0.483) 3.565 2.032 ( -2.651 2.750 -0.227) 3.827 2.096 ( 2.592 -2.186 1.276) 3.623 2.120 ( 1.596 -1.801 -1.201) 2.689 2.386 ( 3.341 -4.507 0.482) 5.631 2.397 ( 3.046 -4.478 -0.651) 5.454 2.724 ( -7.671 0.836 0.201) 7.719 2.767 ( -9.977 0.107 -0.476) 9.989 3.124 ( 4.458 -4.732 2.937) 7.134 3.157 ( 1.980 -5.994 -2.515) 6.795 ======================= Grid point 220 (78/231) ======================= q-point: ( 0.62 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -4.061 2.209 -0.372) 4.638 0.833 ( -3.260 2.620 0.136) 4.184 1.077 ( -6.113 8.395 0.132) 10.385 1.083 ( -5.862 8.164 0.105) 10.051 1.314 ( 0.722 -0.002 1.523) 1.686 1.332 ( -1.809 -1.746 -0.742) 2.621 1.817 ( 1.799 0.480 -1.104) 2.165 1.866 ( 2.655 0.496 1.385) 3.035 1.954 ( -3.925 0.406 0.292) 3.957 1.971 ( -3.433 0.946 -0.205) 3.566 2.166 ( 3.179 -0.761 -0.945) 3.403 2.173 ( 4.595 -0.518 0.943) 4.720 2.383 ( 1.946 -5.428 -0.099) 5.767 2.387 ( 1.981 -5.412 -0.335) 5.773 2.641 ( -4.483 2.805 0.519) 5.314 2.645 ( -4.880 2.951 0.198) 5.707 3.128 ( 2.088 -5.747 -2.159) 6.484 3.153 ( 3.986 -5.136 2.358) 6.916 ======================= Grid point 221 (79/231) ======================= q-point: (-0.31 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -0.861 4.527 -0.463) 4.631 0.841 ( 0.197 4.241 0.231) 4.252 1.075 ( -4.147 8.961 0.095) 9.875 1.083 ( -4.334 9.675 0.137) 10.602 1.296 ( -0.371 -0.830 0.108) 0.916 1.350 ( 2.386 0.624 0.539) 2.524 1.823 ( -0.605 -1.367 -1.091) 1.851 1.857 ( -2.775 -1.415 1.199) 3.338 1.952 ( 1.491 3.159 0.224) 3.501 1.979 ( 1.501 3.354 0.247) 3.683 2.153 ( -1.943 -3.553 -0.731) 4.115 2.186 ( -1.047 -3.678 0.739) 3.895 2.373 ( 3.660 -4.668 -0.551) 5.958 2.395 ( 3.872 -4.166 0.023) 5.688 2.632 ( -0.487 5.277 0.011) 5.299 2.657 ( 0.383 5.640 0.861) 5.718 3.104 ( 2.068 -5.601 -1.629) 6.189 3.175 ( 4.157 -5.230 1.731) 6.901 ======================= Grid point 222 (80/231) ======================= q-point: (-0.23 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 0.494 3.748 -0.031) 3.780 0.903 ( 1.874 3.043 0.254) 3.583 1.099 ( -2.778 7.172 0.124) 7.692 1.121 ( -2.932 9.708 0.155) 10.142 1.293 ( 1.136 -2.332 0.785) 2.710 1.393 ( 2.551 -1.926 -0.563) 3.246 1.798 ( -0.308 -0.060 -0.408) 0.515 1.819 ( -0.621 0.148 0.486) 0.802 2.001 ( -1.195 1.770 0.688) 2.244 2.036 ( -1.595 3.320 0.026) 3.683 2.075 ( 0.373 -2.648 -0.399) 2.704 2.137 ( 1.089 -2.273 0.174) 2.526 2.378 ( 2.238 -5.179 -0.198) 5.646 2.405 ( 2.409 -4.856 -0.065) 5.422 2.728 ( 3.757 7.789 0.015) 8.648 2.773 ( 4.868 8.041 0.532) 9.415 3.077 ( 1.505 -5.907 -1.011) 6.179 3.198 ( 4.410 -5.325 1.000) 6.986 ======================= Grid point 223 (81/231) ======================= q-point: (-0.15 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -3.121 1.031 0.984) 3.431 0.937 ( -0.550 0.769 -0.312) 0.996 1.111 ( -3.321 4.997 0.109) 6.001 1.148 ( -4.420 6.566 -0.021) 7.915 1.269 ( -0.863 -4.041 1.105) 4.278 1.376 ( -1.134 -4.057 -0.682) 4.267 1.824 ( 3.039 0.433 -0.900) 3.199 1.851 ( 2.231 3.382 0.736) 4.118 1.952 ( -0.826 -4.553 0.160) 4.630 1.974 ( -2.178 -1.980 0.319) 2.961 2.150 ( 3.176 3.976 -0.245) 5.094 2.177 ( 1.670 2.610 0.087) 3.100 2.364 ( 1.637 -3.100 0.110) 3.507 2.404 ( 2.799 -2.788 -0.100) 3.952 2.886 ( 4.565 7.862 -0.156) 9.093 2.962 ( 8.183 6.768 0.321) 10.624 3.033 ( 1.167 -6.640 -0.412) 6.754 3.222 ( 4.165 -4.900 0.115) 6.432 ======================= Grid point 224 (82/231) ======================= q-point: (-0.08 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -7.456 -0.091 2.316) 7.807 0.898 ( -3.820 -0.101 -0.945) 3.936 1.052 ( -7.141 -0.100 -0.012) 7.142 1.070 ( -8.628 0.132 -0.068) 8.629 1.194 ( -5.510 -0.215 1.029) 5.610 1.278 ( -7.911 0.119 -0.352) 7.920 1.896 ( 4.061 0.213 -1.796) 4.446 1.919 ( 3.085 -0.542 2.079) 3.759 1.935 ( 0.452 0.373 -1.327) 1.451 1.968 ( 4.762 0.028 1.360) 4.952 2.209 ( 0.921 -0.139 -0.191) 0.951 2.227 ( 2.804 0.041 -0.296) 2.820 2.389 ( 2.950 0.007 0.497) 2.992 2.458 ( 4.974 -0.027 -0.311) 4.984 2.910 ( -6.220 0.050 1.750) 6.462 3.087 ( 8.627 0.109 -3.321) 9.245 3.169 ( 10.681 0.198 1.358) 10.769 3.250 ( 3.023 -0.392 -0.778) 3.146 ======================= Grid point 229 (83/231) ======================= q-point: ( 0.31 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 0.000 6.982 5.623) 8.965 0.854 ( -0.000 4.370 -0.226) 4.376 0.884 ( -0.000 6.548 0.075) 6.548 0.918 ( -0.000 5.773 -0.053) 5.773 1.191 ( -0.000 11.588 1.522) 11.687 1.224 ( -0.000 13.576 -1.240) 13.633 1.942 ( 0.000 1.888 0.531) 1.961 2.004 ( 0.000 -8.442 2.260) 8.739 2.009 ( -0.000 1.462 -1.366) 2.001 2.066 ( 0.000 -3.785 1.292) 3.999 2.130 ( -0.000 -7.178 -2.358) 7.555 2.140 ( 0.000 -3.291 -0.323) 3.307 2.457 ( 0.000 -2.021 1.603) 2.579 2.522 ( 0.000 -3.672 -0.771) 3.752 2.842 ( 0.000 3.437 3.404) 4.837 3.063 ( -0.000 -4.685 -7.886) 9.173 3.212 ( 0.000 -8.082 2.173) 8.369 3.398 ( -0.000 -3.356 -1.526) 3.686 ======================= Grid point 230 (84/231) ======================= q-point: ( 0.38 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 1.990 4.175 4.026) 6.131 0.897 ( 0.903 2.762 -0.125) 2.908 0.996 ( 6.926 2.538 -0.179) 7.378 1.006 ( 5.055 2.381 0.235) 5.593 1.285 ( -1.119 7.601 1.976) 7.933 1.332 ( -0.636 8.721 -1.810) 8.929 1.883 ( -3.066 -5.118 0.649) 6.002 1.929 ( -3.967 -5.567 -0.097) 6.836 1.961 ( -1.286 1.944 0.330) 2.354 2.015 ( -2.443 0.103 0.401) 2.477 2.136 ( 4.547 -5.211 -0.951) 6.981 2.158 ( 3.450 -2.515 -0.152) 4.272 2.426 ( -2.305 -0.742 1.201) 2.703 2.470 ( -2.571 -1.907 -0.613) 3.259 2.873 ( 3.654 -4.521 1.313) 5.960 3.003 ( 1.227 -7.167 -4.805) 8.716 3.136 ( -3.035 -3.341 2.978) 5.408 3.326 ( -5.143 -1.205 -1.988) 5.644 ======================= Grid point 231 (85/231) ======================= q-point: ( 0.46 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 2.094 0.835 2.397) 3.290 0.927 ( 0.627 0.296 -0.218) 0.727 1.118 ( 5.827 0.664 0.659) 5.902 1.143 ( 7.855 0.590 -0.599) 7.899 1.299 ( -3.106 2.798 2.208) 4.728 1.354 ( -2.556 2.782 -1.802) 4.185 1.813 ( -0.866 -2.613 -0.170) 2.757 1.851 ( -0.328 -2.936 -0.752) 3.048 1.959 ( -1.317 2.880 1.024) 3.328 1.988 ( -1.252 2.217 0.638) 2.625 2.145 ( 2.052 -4.346 -0.244) 4.813 2.172 ( 1.071 -2.937 -0.541) 3.172 2.372 ( -3.453 -0.335 0.767) 3.553 2.399 ( -3.850 -0.892 -0.443) 3.977 2.877 ( 3.499 -7.885 -0.081) 8.627 2.946 ( 1.557 -8.175 -2.709) 8.752 3.060 ( -4.265 0.184 3.472) 5.503 3.208 ( -6.846 -0.388 -1.855) 7.104 ======================= Grid point 232 (86/231) ======================= q-point: ( 0.54 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -0.067 -0.843 1.127) 1.409 0.919 ( -0.887 -0.870 -0.556) 1.361 1.205 ( 2.007 2.399 0.825) 3.235 1.236 ( 0.159 2.674 -0.851) 2.811 1.279 ( -0.440 0.386 2.326) 2.399 1.332 ( 0.456 -1.030 -1.396) 1.794 1.796 ( 0.823 -0.763 0.356) 1.177 1.823 ( -1.271 0.355 -1.390) 1.917 2.006 ( 2.301 4.224 1.265) 4.974 2.020 ( 1.689 2.687 0.527) 3.217 2.116 ( -1.287 -2.772 -0.205) 3.063 2.132 ( -2.210 -2.938 -0.743) 3.751 2.314 ( -1.297 -2.850 0.593) 3.187 2.331 ( -1.754 -2.703 -0.487) 3.259 2.829 ( -2.680 -2.724 -0.025) 3.821 2.875 ( -2.186 -4.861 -1.169) 5.457 3.024 ( 0.740 -2.735 2.873) 4.035 3.097 ( -3.625 -2.640 -1.798) 4.832 ======================= Grid point 233 (87/231) ======================= q-point: ( 0.62 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -2.198 0.503 -0.199) 2.263 0.898 ( -1.681 0.873 -0.137) 1.899 1.229 ( -3.041 4.959 0.890) 5.885 1.234 ( -3.258 5.017 -0.342) 5.992 1.298 ( 1.489 0.094 1.690) 2.254 1.332 ( 0.110 -1.282 -1.176) 1.743 1.820 ( -0.176 2.987 -1.067) 3.177 1.837 ( 2.564 2.034 0.666) 3.340 2.026 ( -3.245 -2.378 1.234) 4.208 2.046 ( -4.406 -1.757 -0.511) 4.771 2.102 ( 3.459 2.799 0.130) 4.452 2.108 ( 2.517 2.895 -0.401) 3.857 2.275 ( 1.956 -6.740 0.527) 7.038 2.286 ( 1.556 -6.421 -0.733) 6.647 2.757 ( -4.912 2.290 0.470) 5.440 2.782 ( -5.956 1.430 -0.280) 6.132 3.025 ( 2.848 -5.749 0.481) 6.434 3.033 ( 1.879 -5.823 -0.162) 6.121 ======================= Grid point 234 (88/231) ======================= q-point: (-0.31 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -1.651 2.662 -0.061) 3.133 0.888 ( -1.206 2.523 -0.406) 2.826 1.220 ( -3.804 5.598 -0.040) 6.769 1.238 ( -3.102 6.298 0.743) 7.059 1.305 ( -1.305 -0.764 -0.379) 1.559 1.329 ( 1.139 0.444 0.693) 1.406 1.842 ( -1.661 2.787 -1.616) 3.625 1.906 ( -1.029 2.789 2.197) 3.696 1.954 ( -0.646 0.225 -0.548) 0.876 1.982 ( -0.284 0.379 0.112) 0.487 2.153 ( -0.336 -0.393 -0.318) 0.607 2.167 ( 1.582 -0.532 0.755) 1.832 2.246 ( 3.021 -7.805 -0.879) 8.415 2.264 ( 4.866 -6.662 0.126) 8.251 2.724 ( -3.706 5.349 0.249) 6.512 2.732 ( -2.562 5.411 0.289) 5.993 3.000 ( 2.647 -6.441 -1.262) 7.077 3.043 ( 4.648 -6.501 1.375) 8.109 ======================= Grid point 235 (89/231) ======================= q-point: (-0.23 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -0.115 2.384 0.207) 2.396 0.906 ( 0.615 1.927 -0.397) 2.061 1.212 ( -3.067 4.783 0.121) 5.683 1.253 ( -2.449 5.883 0.598) 6.400 1.272 ( -1.043 -1.769 0.381) 2.088 1.346 ( 0.958 -1.104 -0.397) 1.514 1.808 ( -2.368 0.293 -0.701) 2.486 1.859 ( -3.001 0.712 0.569) 3.137 2.005 ( 2.984 0.474 0.294) 3.036 2.055 ( 3.864 3.373 0.039) 5.129 2.097 ( -4.551 -1.654 -0.017) 4.842 2.122 ( -3.139 -0.565 0.088) 3.190 2.263 ( 5.167 -4.935 -0.148) 7.146 2.295 ( 4.747 -4.612 -0.167) 6.621 2.757 ( 0.789 5.802 0.281) 5.862 2.784 ( 1.836 5.541 0.054) 5.837 2.985 ( 2.502 -5.158 -0.471) 5.752 3.067 ( 4.863 -5.137 0.566) 7.096 ======================= Grid point 236 (90/231) ======================= q-point: (-0.15 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -0.199 0.104 0.841) 0.870 0.932 ( 1.177 -0.133 -0.659) 1.355 1.197 ( -3.027 0.292 0.170) 3.046 1.243 ( -0.586 -0.959 0.126) 1.130 1.250 ( -2.035 0.133 0.691) 2.154 1.348 ( 0.824 0.408 -0.419) 1.010 1.794 ( 0.584 0.337 -0.031) 0.675 1.842 ( 0.606 -0.436 -0.609) 0.963 1.988 ( -5.344 -0.115 0.603) 5.379 2.010 ( -2.728 0.140 0.426) 2.765 2.119 ( 2.543 0.032 -0.096) 2.545 2.144 ( 3.623 -0.144 -0.398) 3.648 2.307 ( 3.000 0.096 0.196) 3.007 2.337 ( 3.175 -0.016 -0.204) 3.181 2.840 ( 4.781 -0.294 -0.617) 4.830 2.880 ( 5.545 -0.003 0.142) 5.546 2.987 ( 0.839 0.640 1.048) 1.487 3.118 ( 4.588 -0.463 -0.573) 4.647 ======================= Grid point 237 (91/231) ======================= q-point: (-0.08 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -3.091 -1.041 1.919) 3.784 0.931 ( -0.556 -1.041 -1.191) 1.676 1.112 ( -3.464 -5.136 0.206) 6.199 1.147 ( -4.211 -6.427 -0.119) 7.685 1.267 ( -0.796 3.665 0.779) 3.830 1.378 ( -1.238 4.285 -0.320) 4.472 1.830 ( 3.114 0.773 0.053) 3.208 1.843 ( 2.211 -4.206 -0.551) 4.784 1.949 ( -0.986 3.745 -0.002) 3.872 1.979 ( -1.935 2.292 0.889) 3.128 2.152 ( 3.136 -3.722 0.101) 4.868 2.173 ( 1.669 -2.864 -0.652) 3.378 2.366 ( 1.630 3.130 0.427) 3.555 2.403 ( 2.777 2.741 -0.367) 3.919 2.881 ( 4.760 -7.517 -1.089) 8.964 2.960 ( 7.879 -6.798 -0.031) 10.407 3.046 ( 1.165 6.608 2.027) 7.010 3.213 ( 4.221 4.456 -1.566) 6.334 ======================= Grid point 243 (92/231) ======================= q-point: ( 0.38 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 0.000 1.059 2.923) 3.109 0.906 ( -0.000 0.467 -0.043) 0.469 0.938 ( 0.000 -0.732 -0.138) 0.745 0.969 ( 0.000 -0.311 0.089) 0.323 1.365 ( 0.000 5.004 2.235) 5.480 1.411 ( -0.000 5.721 -2.257) 6.150 1.855 ( 0.000 -6.631 3.142) 7.337 1.936 ( 0.000 -3.000 0.445) 3.032 1.964 ( -0.000 -7.542 -2.633) 7.988 2.014 ( -0.000 -0.971 -1.462) 1.755 2.057 ( 0.000 2.578 1.495) 2.980 2.130 ( -0.000 2.900 -0.373) 2.924 2.450 ( 0.000 0.947 0.888) 1.298 2.484 ( -0.000 0.058 -0.470) 0.473 2.778 ( 0.000 -8.046 0.294) 8.051 2.887 ( -0.000 -10.544 -2.926) 10.943 3.167 ( 0.000 0.908 2.822) 2.964 3.355 ( -0.000 -1.015 -2.151) 2.379 ======================= Grid point 244 (93/231) ======================= q-point: ( 0.46 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 1.794 -2.237 1.825) 3.399 0.904 ( 0.815 -2.156 -0.317) 2.327 0.987 ( 7.445 -2.641 -0.176) 7.902 1.007 ( 5.537 -1.817 0.252) 5.833 1.375 ( -2.456 0.552 2.203) 3.345 1.420 ( -2.305 0.889 -2.193) 3.304 1.808 ( -0.618 -1.495 1.715) 2.358 1.843 ( -2.361 -2.312 -0.498) 3.342 1.968 ( 2.947 -2.110 -0.876) 3.729 2.008 ( 1.148 -1.574 -0.334) 1.977 2.091 ( -0.219 1.976 1.039) 2.243 2.153 ( -1.096 2.160 -0.606) 2.497 2.440 ( -2.878 1.482 0.500) 3.275 2.465 ( -2.926 0.929 -0.332) 3.088 2.727 ( 3.538 -8.321 0.597) 9.062 2.802 ( 2.511 -10.019 -2.221) 10.565 3.151 ( -3.480 1.078 2.348) 4.335 3.304 ( -4.410 -0.575 -1.777) 4.789 ======================= Grid point 245 (94/231) ======================= q-point: ( 0.54 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 2.821 -3.239 0.889) 4.386 0.893 ( 1.250 -3.216 -0.475) 3.483 1.109 ( 7.786 -1.485 0.456) 7.939 1.119 ( 9.909 -2.019 -0.408) 10.121 1.328 ( -2.670 -0.441 2.015) 3.374 1.367 ( -2.694 -0.479 -1.609) 3.174 1.789 ( -0.855 0.102 -0.226) 0.890 1.829 ( 0.256 1.005 0.147) 1.048 2.011 ( 3.447 -0.315 -0.040) 3.462 2.034 ( 3.123 -0.403 -0.251) 3.159 2.083 ( -2.191 0.883 1.132) 2.620 2.127 ( -3.066 0.687 -0.875) 3.261 2.380 ( -5.399 0.353 0.402) 5.425 2.399 ( -5.460 0.288 -0.351) 5.479 2.732 ( 5.163 -6.625 0.876) 8.445 2.768 ( 4.001 -7.590 -1.578) 8.724 3.085 ( -5.388 0.527 1.726) 5.683 3.197 ( -7.088 -0.219 -1.275) 7.205 ======================= Grid point 246 (95/231) ======================= q-point: ( 0.62 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 1.415 -1.593 0.233) 2.143 0.891 ( 1.872 -1.368 -0.366) 2.347 1.223 ( 5.919 -0.066 0.544) 5.944 1.251 ( 5.810 -0.173 -0.674) 5.851 1.301 ( -0.846 0.510 1.571) 1.856 1.330 ( -1.473 0.567 -0.959) 1.847 1.802 ( 2.348 1.183 0.292) 2.645 1.855 ( 0.596 3.327 -0.709) 3.454 2.026 ( -0.252 -3.679 1.155) 3.864 2.048 ( 0.351 -4.965 -0.587) 5.012 2.100 ( 1.384 4.082 0.181) 4.314 2.113 ( 0.545 4.225 -0.648) 4.309 2.269 ( -6.417 -2.165 0.632) 6.802 2.286 ( -6.563 -1.789 -0.499) 6.821 2.767 ( 4.310 -3.238 0.482) 5.413 2.777 ( 3.920 -4.009 -0.663) 5.646 2.996 ( -4.825 -1.019 1.201) 5.075 3.063 ( -7.604 -0.621 -0.887) 7.680 ======================= Grid point 247 (96/231) ======================= q-point: ( 0.69 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 0.194 0.397 0.430) 0.616 0.910 ( 0.547 0.457 -0.629) 0.951 1.294 ( -0.333 1.634 0.419) 1.720 1.298 ( 1.790 1.301 0.115) 2.216 1.308 ( 0.151 0.051 0.232) 0.282 1.319 ( -0.326 0.143 -0.394) 0.531 1.897 ( 5.358 2.896 0.362) 6.101 1.908 ( 0.005 5.509 -0.846) 5.574 1.991 ( -1.033 -0.962 1.100) 1.789 2.004 ( -1.382 -1.585 -0.492) 2.159 2.128 ( -1.799 -4.301 0.097) 4.663 2.151 ( -1.588 -1.421 -0.260) 2.147 2.157 ( -0.770 -1.620 -0.149) 1.800 2.176 ( 0.152 -0.569 0.085) 0.595 2.813 ( 1.303 2.647 0.024) 2.950 2.818 ( 1.252 2.559 0.004) 2.849 2.919 ( -0.121 -5.175 0.762) 5.232 2.934 ( -4.622 -3.330 -0.595) 5.727 ======================= Grid point 248 (97/231) ======================= q-point: (-0.23 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -0.510 0.058 0.545) 0.748 0.914 ( -0.293 0.100 -0.633) 0.705 1.284 ( -2.030 -0.576 0.249) 2.125 1.291 ( -2.097 0.670 0.240) 2.214 1.304 ( -0.670 -0.325 0.050) 0.746 1.330 ( 0.715 -0.088 -0.294) 0.778 1.894 ( -6.211 0.974 0.029) 6.287 1.932 ( -4.528 -0.702 -0.895) 4.669 1.963 ( 1.523 -0.236 0.987) 1.830 2.010 ( 2.672 -0.285 -0.060) 2.688 2.126 ( 6.264 0.340 0.037) 6.273 2.154 ( -1.931 -0.070 0.044) 1.933 2.167 ( 3.418 -1.499 -0.549) 3.773 2.172 ( 1.322 1.549 0.316) 2.061 2.813 ( -3.231 -0.342 -0.015) 3.249 2.818 ( -2.770 0.026 0.011) 2.770 2.902 ( 3.900 0.779 0.407) 3.998 2.946 ( 5.653 -0.633 -0.256) 5.694 ======================= Grid point 249 (98/231) ======================= q-point: (-0.15 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -0.033 -2.210 0.740) 2.331 0.903 ( 0.456 -1.960 -0.689) 2.127 1.215 ( -2.978 -4.821 0.577) 5.696 1.245 ( -2.363 -5.515 -0.802) 6.053 1.275 ( -1.314 1.238 0.826) 1.985 1.346 ( 1.209 0.893 -0.393) 1.554 1.817 ( -2.636 0.311 0.865) 2.792 1.848 ( -2.804 -1.294 -1.282) 3.344 2.008 ( 3.079 -0.584 0.730) 3.218 2.053 ( 3.719 -3.447 -0.278) 5.078 2.099 ( -4.424 1.815 0.216) 4.787 2.118 ( -3.086 0.352 -0.614) 3.166 2.266 ( 5.013 5.114 0.446) 7.175 2.295 ( 4.726 4.605 -0.282) 6.605 2.755 ( 0.739 -5.750 -0.152) 5.799 2.784 ( 1.842 -5.806 -0.053) 6.091 2.996 ( 2.535 5.759 1.535) 6.477 3.057 ( 4.887 4.431 -1.286) 6.721 ======================= Grid point 250 (99/231) ======================= q-point: (-0.08 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 0.591 -3.667 1.496) 4.004 0.894 ( 1.686 -3.200 -1.163) 3.800 1.100 ( -2.884 -7.502 0.312) 8.043 1.119 ( -2.701 -9.291 -0.183) 9.677 1.292 ( 1.002 2.149 0.651) 2.459 1.393 ( 2.724 1.770 -0.539) 3.293 1.799 ( -0.683 -1.069 -0.275) 1.298 1.817 ( -0.114 1.355 0.260) 1.384 1.996 ( -1.566 -2.170 -0.144) 2.680 2.035 ( -1.158 -3.803 -0.208) 3.981 2.083 ( 0.364 3.183 1.001) 3.356 2.131 ( 0.987 2.193 -0.801) 2.535 2.381 ( 2.182 5.228 0.372) 5.677 2.403 ( 2.370 4.896 -0.382) 5.453 2.726 ( 3.599 -7.481 -0.385) 8.310 2.769 ( 4.922 -8.527 -0.151) 9.847 3.095 ( 1.502 6.170 2.218) 6.726 3.182 ( 4.472 4.952 -1.944) 6.950 ======================= Grid point 257 (100/231) ======================= q-point: ( 0.46 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 0.000 -4.822 1.306) 4.996 0.862 ( 0.000 -4.586 -0.597) 4.625 0.881 ( 0.000 -4.219 0.053) 4.219 0.928 ( 0.000 -3.128 -0.061) 3.129 1.388 ( 0.000 -2.870 2.068) 3.538 1.427 ( -0.000 -2.535 -2.047) 3.259 1.816 ( 0.000 1.756 2.560) 3.104 1.875 ( -0.000 -0.014 -2.231) 2.231 1.881 ( 0.000 -2.278 0.354) 2.305 1.974 ( -0.000 -1.776 -0.741) 1.925 2.136 ( -0.000 3.789 0.916) 3.899 2.203 ( -0.000 3.766 -0.511) 3.800 2.478 ( 0.000 -0.161 0.167) 0.232 2.496 ( -0.000 0.021 -0.025) 0.033 2.625 ( 0.000 -5.557 0.552) 5.585 2.685 ( 0.000 -7.778 -1.697) 7.961 3.192 ( 0.000 0.377 1.858) 1.896 3.332 ( -0.000 -0.717 -1.540) 1.699 ======================= Grid point 258 (101/231) ======================= q-point: ( 0.54 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 2.666 -4.817 0.838) 5.569 0.824 ( 1.621 -4.681 -0.731) 5.008 0.921 ( 8.660 -3.329 0.149) 9.279 0.958 ( 6.599 -2.534 -0.099) 7.070 1.347 ( -1.113 -2.820 1.538) 3.400 1.382 ( -1.163 -2.573 -1.482) 3.189 1.824 ( -2.233 1.113 -0.278) 2.510 1.852 ( -0.250 3.021 1.152) 3.243 1.929 ( 3.419 -0.665 -0.691) 3.551 1.970 ( 1.499 -1.976 -0.548) 2.541 2.153 ( -1.892 2.957 0.785) 3.597 2.210 ( -2.724 3.114 -0.518) 4.170 2.446 ( -1.628 -2.367 0.267) 2.885 2.468 ( -2.334 -1.383 -0.144) 2.717 2.608 ( 2.135 -2.896 0.491) 3.631 2.645 ( 2.064 -4.062 -1.144) 4.698 3.168 ( -3.281 0.019 1.318) 3.536 3.288 ( -3.978 -0.392 -1.149) 4.159 ======================= Grid point 259 (102/231) ======================= q-point: ( 0.62 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 4.546 -2.145 0.161) 5.029 0.831 ( 3.033 -2.036 -0.105) 3.654 1.079 ( 10.510 -1.104 -0.016) 10.568 1.085 ( 10.297 -1.004 -0.059) 10.346 1.315 ( -0.678 -0.984 0.756) 1.414 1.347 ( -0.801 -0.523 -0.828) 1.265 1.804 ( -1.035 1.022 -0.022) 1.455 1.882 ( -0.118 3.784 0.117) 3.788 1.961 ( 1.982 -3.287 -0.011) 3.839 1.974 ( 2.144 -3.056 -0.420) 3.757 2.148 ( -1.779 2.720 0.498) 3.288 2.191 ( -2.850 3.567 -0.497) 4.593 2.370 ( -5.609 -1.400 0.435) 5.798 2.390 ( -5.627 -0.858 -0.214) 5.696 2.641 ( 4.985 -2.574 0.284) 5.618 2.663 ( 4.073 -2.397 -0.646) 4.770 3.093 ( -5.564 -0.104 0.793) 5.621 3.191 ( -6.908 0.010 -0.756) 6.950 ======================= Grid point 260 (103/231) ======================= q-point: (-0.31 -0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 2.975 -0.042 0.157) 2.979 0.876 ( 3.041 0.131 0.062) 3.045 1.220 ( 6.899 -0.156 -0.053) 6.901 1.247 ( 7.103 0.168 -0.259) 7.109 1.303 ( -0.144 -0.485 -0.048) 0.508 1.336 ( -0.645 0.288 -0.136) 0.719 1.824 ( 3.178 0.002 0.467) 3.212 1.934 ( 2.899 0.760 -0.852) 3.116 1.947 ( 0.436 -0.768 0.206) 0.907 1.981 ( 0.553 -0.010 0.087) 0.560 2.149 ( 0.192 -0.132 0.154) 0.279 2.179 ( -1.061 0.546 -0.427) 1.267 2.233 ( -8.762 -0.579 0.427) 8.791 2.264 ( -8.261 0.262 0.029) 8.265 2.729 ( 6.657 -0.222 -0.170) 6.662 2.735 ( 5.464 0.199 -0.092) 5.468 2.987 ( -6.523 -0.269 0.297) 6.535 3.058 ( -8.431 0.196 -0.364) 8.441 ======================= Grid point 261 (104/231) ======================= q-point: (-0.23 -0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 0.234 -0.383 0.675) 0.811 0.910 ( 0.514 -0.253 -0.407) 0.702 1.288 ( -0.302 -1.945 -0.536) 2.040 1.295 ( 2.227 -1.242 -0.375) 2.578 1.305 ( -0.139 -0.717 -0.238) 0.768 1.325 ( -0.502 0.318 0.617) 0.857 1.894 ( 5.136 -3.757 -0.145) 6.365 1.920 ( 0.479 -4.659 1.142) 4.821 1.977 ( -1.046 0.628 -1.372) 1.836 2.008 ( -1.771 1.853 0.217) 2.573 2.127 ( -2.103 5.199 -0.104) 5.609 2.153 ( 0.307 -1.414 0.134) 1.453 2.161 ( -2.648 3.198 0.497) 4.182 2.174 ( 0.575 1.123 -0.199) 1.277 2.813 ( 1.026 -2.788 0.015) 2.971 2.818 ( 1.375 -2.625 -0.039) 2.964 2.910 ( -0.294 4.604 -0.867) 4.694 2.941 ( -4.295 3.870 0.588) 5.811 ======================= Grid point 262 (105/231) ======================= q-point: (-0.15 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -1.597 -2.656 0.389) 3.123 0.887 ( -1.322 -2.443 -0.257) 2.790 1.221 ( -3.507 -5.624 0.100) 6.629 1.231 ( -3.313 -6.155 -0.289) 6.996 1.310 ( -0.817 0.509 0.450) 1.063 1.321 ( 0.698 -0.586 -0.523) 1.051 1.860 ( -1.711 -2.820 1.167) 3.499 1.884 ( -1.347 -2.651 -1.307) 3.248 1.959 ( -0.329 -0.403 0.190) 0.554 1.980 ( -0.230 -0.363 -0.083) 0.438 2.156 ( -0.080 0.754 0.218) 0.789 2.160 ( 0.992 0.537 -0.327) 1.175 2.253 ( 3.523 7.349 0.365) 8.158 2.261 ( 4.567 6.838 -0.184) 8.225 2.723 ( -3.302 -5.376 -0.040) 6.309 2.729 ( -3.015 -5.541 -0.099) 6.309 3.016 ( 2.753 6.838 1.619) 7.547 3.026 ( 4.614 6.002 -1.644) 7.747 ======================= Grid point 263 (106/231) ======================= q-point: (-0.08 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -0.579 -4.532 0.741) 4.629 0.835 ( -0.168 -4.252 -0.644) 4.304 1.075 ( -4.157 -9.151 0.084) 10.052 1.082 ( -4.200 -9.368 -0.029) 10.267 1.300 ( -0.653 0.808 0.892) 1.369 1.342 ( 2.709 -0.890 -0.920) 2.996 1.828 ( -1.713 1.294 -0.551) 2.216 1.852 ( -1.332 1.675 0.728) 2.260 1.952 ( 1.258 -3.353 0.112) 3.583 1.975 ( 1.207 -3.417 -0.411) 3.647 2.162 ( -1.907 3.958 0.900) 4.484 2.177 ( -0.899 3.394 -0.922) 3.630 2.379 ( 3.507 4.762 0.492) 5.934 2.393 ( 3.950 4.128 -0.423) 5.729 2.635 ( -0.525 -5.114 0.455) 5.161 2.648 ( 0.318 -6.017 -0.592) 6.055 3.126 ( 2.109 5.885 2.281) 6.655 3.153 ( 4.194 4.878 -2.189) 6.795 ======================= Grid point 271 (107/231) ======================= q-point: ( 0.54 0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 0.000 -3.803 0.619) 3.853 0.765 ( 0.000 -3.423 -0.575) 3.471 0.809 ( 0.000 -2.342 0.295) 2.361 0.874 ( 0.000 -1.693 -0.264) 1.713 1.328 ( 0.000 -2.463 0.771) 2.581 1.363 ( -0.000 -1.943 -1.056) 2.212 1.853 ( 0.000 -0.773 0.386) 0.864 1.884 ( 0.000 2.604 0.841) 2.736 1.909 ( -0.000 2.452 -0.989) 2.644 1.948 ( -0.000 -0.554 -0.629) 0.838 2.192 ( 0.000 1.392 0.595) 1.514 2.256 ( -0.000 1.576 -0.388) 1.623 2.405 ( 0.000 -3.974 0.234) 3.981 2.452 ( 0.000 -3.151 -0.190) 3.156 2.597 ( -0.000 0.489 0.067) 0.493 2.622 ( -0.000 0.252 -0.617) 0.667 3.197 ( 0.000 -0.285 0.958) 0.999 3.317 ( -0.000 -0.203 -0.929) 0.951 ======================= Grid point 272 (108/231) ======================= q-point: (-0.38 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 3.587 -0.248 0.130) 3.598 0.769 ( 2.430 0.267 -0.049) 2.445 0.884 ( 9.351 -0.042 0.256) 9.355 0.930 ( 7.062 0.024 -0.227) 7.066 1.313 ( -0.178 -0.477 -0.122) 0.523 1.352 ( -0.238 0.389 -0.474) 0.657 1.835 ( -1.470 0.088 0.349) 1.514 1.905 ( 1.026 -0.765 -0.028) 1.280 1.930 ( -0.639 -0.491 -0.826) 1.154 1.935 ( 0.508 1.235 0.102) 1.339 2.188 ( -1.246 -0.171 0.404) 1.321 2.248 ( -1.726 0.131 -0.296) 1.756 2.398 ( 0.638 -0.062 0.265) 0.694 2.435 ( -0.650 0.079 -0.046) 0.657 2.592 ( -0.220 -0.119 -0.169) 0.302 2.619 ( 0.090 0.179 -0.423) 0.468 3.168 ( -3.161 -0.279 0.574) 3.225 3.283 ( -3.810 0.236 -0.659) 3.874 ======================= Grid point 273 (109/231) ======================= q-point: (-0.31 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 4.614 1.830 -0.434) 4.982 0.835 ( 3.037 2.308 0.615) 3.864 1.078 ( 10.168 1.014 -0.144) 10.219 1.085 ( 10.607 1.061 -0.062) 10.660 1.306 ( -0.676 0.142 -0.858) 1.101 1.353 ( -0.832 1.202 0.214) 1.478 1.807 ( -1.099 -0.858 0.622) 1.527 1.876 ( 0.283 -3.817 -0.862) 3.923 1.958 ( 1.824 3.108 -0.363) 3.623 1.978 ( 1.981 3.238 0.333) 3.810 2.146 ( -1.770 -3.066 0.091) 3.542 2.193 ( -2.772 -3.280 -0.068) 4.295 2.368 ( -5.726 1.210 0.056) 5.852 2.393 ( -5.566 1.045 0.268) 5.669 2.637 ( 4.907 2.243 -0.410) 5.411 2.666 ( 4.146 2.866 -0.122) 5.041 3.089 ( -5.581 -0.438 0.175) 5.601 3.193 ( -6.909 0.420 -0.365) 6.931 ======================= Grid point 274 (110/231) ======================= q-point: (-0.23 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 2.099 1.267 -0.583) 2.521 0.897 ( 1.341 1.548 0.844) 2.215 1.216 ( 5.788 -0.184 -0.550) 5.817 1.255 ( 5.986 0.495 0.147) 6.008 1.283 ( -0.920 -1.212 -1.444) 2.098 1.339 ( -1.496 -0.138 0.802) 1.703 1.802 ( 1.906 -1.460 0.282) 2.418 1.861 ( 1.303 -2.837 0.261) 3.133 2.013 ( -0.803 3.090 -1.081) 3.370 2.053 ( 0.735 5.060 0.287) 5.121 2.098 ( 1.237 -4.417 -0.146) 4.590 2.120 ( 0.720 -3.630 0.468) 3.730 2.264 ( -6.638 2.172 -0.288) 6.990 2.292 ( -6.433 1.811 0.443) 6.698 2.761 ( 4.557 3.325 -0.440) 5.658 2.783 ( 3.715 4.286 0.309) 5.681 2.986 ( -5.152 0.223 -0.558) 5.187 3.069 ( -7.386 1.136 0.182) 7.475 ======================= Grid point 275 (111/231) ======================= q-point: (-0.15 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -1.959 -0.915 -0.489) 2.217 0.900 ( -1.834 -0.718 0.566) 2.049 1.219 ( -2.757 -4.989 -0.838) 5.762 1.240 ( -3.535 -4.813 0.708) 6.014 1.281 ( 1.635 -0.512 -1.288) 2.143 1.343 ( 0.076 1.485 0.777) 1.677 1.821 ( 1.723 -2.198 -0.765) 2.896 1.841 ( 0.309 -2.961 1.302) 3.249 2.013 ( -2.327 2.390 -1.079) 3.505 2.051 ( -4.782 1.502 0.353) 5.025 2.100 ( 3.670 -2.875 -0.244) 4.668 2.114 ( 1.996 -2.577 0.700) 3.334 2.269 ( 1.981 6.845 -0.518) 7.145 2.293 ( 1.619 6.393 0.493) 6.614 2.754 ( -5.194 -2.290 0.014) 5.676 2.783 ( -6.043 -1.327 0.052) 6.187 3.006 ( 3.831 5.297 -1.886) 6.804 3.049 ( 1.158 6.232 1.538) 6.523 ======================= Grid point 285 (112/231) ======================= q-point: (-0.38 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -0.000 3.273 -0.155) 3.277 0.769 ( -0.000 3.793 0.124) 3.795 0.810 ( -0.000 2.277 0.398) 2.311 0.874 ( -0.000 1.746 -0.372) 1.785 1.319 ( -0.000 1.586 -0.936) 1.841 1.369 ( -0.000 2.780 0.123) 2.783 1.853 ( 0.000 0.653 0.467) 0.803 1.874 ( -0.000 -3.661 -0.994) 3.793 1.917 ( 0.000 -1.512 0.539) 1.605 1.948 ( -0.000 0.796 -0.635) 1.018 2.191 ( 0.000 -1.721 0.316) 1.749 2.257 ( 0.000 -1.369 -0.208) 1.385 2.407 ( -0.000 4.030 0.545) 4.067 2.452 ( -0.000 3.255 -0.164) 3.259 2.595 ( -0.000 -0.706 -0.381) 0.802 2.624 ( -0.000 0.129 -0.293) 0.320 3.193 ( 0.000 -0.309 0.332) 0.454 3.319 ( -0.000 0.714 -0.487) 0.865 ======================= Grid point 286 (113/231) ======================= q-point: (-0.31 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 2.706 4.313 -0.692) 5.139 0.830 ( 1.663 4.746 0.293) 5.037 0.921 ( 8.650 3.322 0.248) 9.269 0.957 ( 6.567 2.487 -0.330) 7.030 1.330 ( -1.074 2.213 -1.448) 2.854 1.394 ( -1.232 3.341 0.822) 3.654 1.823 ( -1.032 -2.648 -0.705) 2.928 1.843 ( -0.928 -1.748 -0.134) 1.984 1.936 ( 2.970 0.931 0.418) 3.140 1.971 ( 1.585 1.932 -0.374) 2.527 2.149 ( -1.984 -3.328 0.088) 3.876 2.213 ( -2.635 -2.887 -0.020) 3.909 2.447 ( -1.895 2.245 0.412) 2.967 2.470 ( -2.190 1.432 0.241) 2.627 2.604 ( 2.099 2.888 -0.326) 3.585 2.650 ( 2.140 4.574 -0.385) 5.065 3.161 ( -3.278 -0.635 0.072) 3.340 3.293 ( -4.001 0.915 -0.272) 4.114 ======================= Grid point 287 (114/231) ======================= q-point: (-0.23 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 2.982 2.732 -1.069) 4.183 0.900 ( 1.383 3.104 0.600) 3.451 1.103 ( 7.549 1.246 -0.505) 7.668 1.122 ( 10.101 2.238 0.075) 10.346 1.307 ( -2.691 0.077 -1.683) 3.175 1.382 ( -2.878 0.900 1.187) 3.241 1.793 ( -0.753 -0.292 0.463) 0.931 1.825 ( 0.893 -0.605 -0.538) 1.205 2.008 ( 2.504 0.089 -0.499) 2.555 2.036 ( 3.305 0.032 0.055) 3.306 2.075 ( -2.158 -0.777 -0.371) 2.323 2.135 ( -2.771 -0.399 0.465) 2.839 2.377 ( -5.507 -0.490 -0.073) 5.529 2.402 ( -5.408 -0.303 0.307) 5.425 2.728 ( 5.084 6.839 -0.019) 8.522 2.777 ( 4.092 8.105 0.032) 9.079 3.073 ( -5.561 -1.276 -0.344) 5.715 3.204 ( -7.052 0.738 0.046) 7.091 ======================= Grid point 288 (115/231) ======================= q-point: (-0.15 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 0.167 0.135 -1.365) 1.382 0.928 ( -0.781 0.866 0.952) 1.505 1.198 ( 1.926 -2.418 -0.384) 3.115 1.242 ( -0.193 -2.093 0.301) 2.123 1.256 ( 0.238 -0.829 -1.654) 1.866 1.345 ( 0.228 1.054 0.815) 1.351 1.794 ( 0.314 0.745 -0.011) 0.808 1.838 ( -0.972 0.051 1.081) 1.455 1.993 ( 2.456 -4.612 -1.057) 5.331 2.013 ( 1.581 -2.311 -0.698) 2.886 2.118 ( -1.243 2.331 0.170) 2.647 2.141 ( -2.063 3.017 0.696) 3.721 2.309 ( -1.355 2.713 -0.371) 3.055 2.336 ( -1.632 2.729 0.361) 3.201 2.836 ( -2.703 3.551 0.902) 4.553 2.881 ( -2.721 4.875 -0.002) 5.583 2.996 ( 0.496 1.559 -1.955) 2.549 3.113 ( -3.051 3.415 1.085) 4.706 ======================= Grid point 299 (116/231) ======================= q-point: (-0.31 -0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -0.000 4.118 -1.222) 4.295 0.865 ( -0.000 4.458 -0.011) 4.458 0.883 ( -0.000 4.212 0.421) 4.233 0.926 ( -0.000 3.145 -0.421) 3.173 1.366 ( -0.000 2.533 -1.789) 3.101 1.446 ( 0.000 3.159 1.472) 3.485 1.788 ( -0.000 -2.338 -2.357) 3.320 1.882 ( -0.000 2.088 0.451) 2.136 1.894 ( 0.000 0.431 1.237) 1.310 1.975 ( -0.000 2.129 -0.611) 2.215 2.132 ( 0.000 -4.106 0.167) 4.109 2.205 ( 0.000 -3.633 -0.095) 3.634 2.479 ( 0.000 -0.603 0.276) 0.663 2.498 ( 0.000 0.217 0.421) 0.474 2.624 ( -0.000 6.112 0.337) 6.121 2.690 ( -0.000 8.321 -0.779) 8.358 3.182 ( 0.000 -1.033 -0.024) 1.033 3.339 ( -0.000 1.303 -0.101) 1.306 ======================= Grid point 300 (117/231) ======================= q-point: (-0.23 -0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 1.932 1.358 -1.782) 2.958 0.907 ( 0.957 2.080 0.214) 2.300 0.990 ( 7.455 2.717 0.306) 7.941 1.003 ( 5.387 1.762 -0.505) 5.690 1.352 ( -2.408 -0.734 -1.913) 3.161 1.440 ( -2.461 -0.682 1.579) 3.002 1.788 ( 0.732 1.681 -1.559) 2.406 1.849 ( -2.918 2.102 0.527) 3.634 1.978 ( 2.657 2.270 0.890) 3.606 2.005 ( 0.675 1.425 -0.894) 1.812 2.085 ( -0.145 -1.801 0.097) 1.810 2.157 ( -0.912 -2.150 0.062) 2.336 2.437 ( -2.865 -1.852 -0.147) 3.415 2.468 ( -2.932 -0.871 0.288) 3.072 2.730 ( 3.286 8.480 0.835) 9.132 2.810 ( 2.712 10.801 -0.575) 11.151 3.138 ( -3.557 -1.721 -0.094) 3.953 3.314 ( -4.445 1.128 0.096) 4.587 ======================= Grid point 301 (118/231) ======================= q-point: (-0.15 -0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 2.354 -1.859 -2.110) 3.667 0.933 ( 0.823 -0.243 0.778) 1.158 1.113 ( 5.882 -0.451 -0.326) 5.909 1.147 ( 7.951 -0.586 0.140) 7.974 1.277 ( -3.125 -2.777 -1.767) 4.539 1.371 ( -2.839 -2.895 1.107) 4.203 1.819 ( -0.887 2.786 0.836) 3.041 1.854 ( 1.145 3.550 -0.351) 3.746 1.953 ( -2.935 -3.259 -0.141) 4.388 1.978 ( -0.881 -2.563 -0.964) 2.877 2.149 ( 1.943 4.673 0.312) 5.070 2.176 ( 1.289 2.771 0.200) 3.062 2.365 ( -3.481 -0.024 -0.363) 3.500 2.403 ( -3.829 1.004 0.271) 3.968 2.884 ( 4.393 8.066 0.614) 9.205 2.963 ( 1.519 9.973 0.293) 10.092 3.034 ( -5.707 -1.989 -0.858) 6.104 3.221 ( -6.547 0.923 0.545) 6.634 ======================= Grid point 313 (119/231) ======================= q-point: (-0.23 -0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -0.000 -2.206 -2.566) 3.384 0.908 ( 0.000 -0.349 0.242) 0.424 0.941 ( 0.000 0.663 0.392) 0.770 0.966 ( -0.000 0.378 -0.433) 0.575 1.341 ( -0.000 -4.951 -1.970) 5.329 1.431 ( 0.000 -5.940 1.442) 6.112 1.826 ( -0.000 6.822 -1.853) 7.070 1.934 ( -0.000 2.699 0.196) 2.706 1.986 ( -0.000 7.818 1.349) 7.934 2.022 ( -0.000 2.298 -0.624) 2.381 2.049 ( 0.000 -3.547 0.537) 3.588 2.131 ( 0.000 -2.977 -0.217) 2.985 2.443 ( 0.000 -1.349 -0.351) 1.394 2.488 ( 0.000 0.047 0.278) 0.281 2.784 ( -0.000 7.340 0.987) 7.406 2.898 ( -0.000 12.022 -0.725) 12.044 3.154 ( 0.000 -1.236 0.361) 1.287 3.367 ( -0.000 1.476 0.173) 1.486 ======================= Grid point 314 (120/231) ======================= q-point: (-0.15 -0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 2.208 -5.365 -2.860) 6.468 0.902 ( 1.058 -2.599 0.656) 2.882 0.997 ( 6.687 -2.661 0.110) 7.198 1.003 ( 5.252 -2.206 -0.205) 5.700 1.264 ( -1.077 -7.284 -1.599) 7.535 1.347 ( -0.711 -9.124 0.911) 9.197 1.878 ( -1.667 6.294 -0.189) 6.514 1.923 ( -3.461 4.393 -0.588) 5.623 1.967 ( -2.433 -1.866 0.888) 3.192 2.007 ( -2.859 -0.067 -0.686) 2.941 2.145 ( 4.192 5.090 0.633) 6.624 2.158 ( 3.611 2.877 -0.160) 4.619 2.416 ( -2.273 0.352 -0.477) 2.349 2.475 ( -2.572 2.072 0.275) 3.314 2.864 ( 3.355 2.102 -0.418) 3.982 3.036 ( 2.094 11.518 0.629) 11.724 3.122 ( -3.831 2.254 0.685) 4.497 3.337 ( -5.144 1.243 0.172) 5.295 ======================= Grid point 327 (121/231) ======================= q-point: (-0.15 -0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -0.000 -8.242 -3.122) 8.813 0.861 ( 0.000 -4.174 0.696) 4.231 0.885 ( 0.000 -6.794 0.212) 6.798 0.917 ( 0.000 -5.581 -0.343) 5.592 1.175 ( 0.000 -11.043 -1.157) 11.103 1.234 ( 0.000 -14.105 0.485) 14.114 1.939 ( 0.000 -1.811 0.069) 1.813 1.988 ( -0.000 8.810 -0.754) 8.842 2.018 ( 0.000 -2.003 0.028) 2.004 2.058 ( -0.000 4.032 0.133) 4.034 2.140 ( -0.000 3.521 -0.297) 3.534 2.149 ( -0.000 7.040 0.914) 7.099 2.445 ( -0.000 1.696 -0.491) 1.766 2.528 ( -0.000 3.863 0.295) 3.874 2.816 ( 0.000 -5.466 -1.122) 5.580 3.127 ( -0.000 10.166 2.209) 10.403 3.200 ( -0.000 6.571 0.476) 6.588 3.403 ( -0.000 2.656 -0.254) 2.669 ======================= Grid point 370 (122/231) ======================= q-point: ( 0.15 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.097 ( 0.000 -0.000 8.589) 8.589 0.097 ( 0.000 -0.000 8.589) 8.589 0.225 ( 0.000 -0.000 19.789) 19.789 0.376 ( -0.000 0.000 -1.855) 1.855 0.376 ( -0.000 0.000 -1.855) 1.855 0.642 ( -0.000 0.000 -0.206) 0.206 1.911 ( 0.000 -0.000 0.580) 0.580 1.911 ( 0.000 -0.000 0.580) 0.580 1.975 ( -0.000 0.000 -0.808) 0.808 1.975 ( -0.000 0.000 -0.808) 0.808 2.254 ( 0.000 -0.000 0.724) 0.724 2.254 ( 0.000 -0.000 0.724) 0.724 2.301 ( -0.000 0.000 -0.416) 0.416 2.301 ( -0.000 0.000 -0.416) 0.416 2.649 ( 0.000 -0.000 1.769) 1.769 2.753 ( -0.000 0.000 -0.768) 0.768 3.726 ( -0.000 0.000 -7.367) 7.367 3.744 ( 0.000 -0.000 3.343) 3.343 ======================= Grid point 371 (123/231) ======================= q-point: ( 0.23 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.355 ( 7.462 4.308 13.452) 15.974 0.381 ( 14.698 8.486 2.334) 17.131 0.481 ( 19.075 11.013 2.050) 22.121 0.508 ( 9.886 5.708 -1.561) 11.522 0.581 ( 13.464 7.773 -1.655) 15.635 0.682 ( 3.812 2.201 0.071) 4.402 1.916 ( 0.188 0.109 0.906) 0.931 1.969 ( -0.092 -0.053 -1.168) 1.173 2.151 ( 9.253 5.342 2.367) 10.944 2.229 ( -2.261 -1.305 0.920) 2.768 2.257 ( -0.093 -0.054 -0.209) 0.235 2.276 ( -2.073 -1.197 -0.564) 2.460 2.302 ( 3.553 2.051 0.563) 4.141 2.631 ( -1.492 -0.861 2.188) 2.784 2.708 ( -2.507 -1.447 -2.391) 3.754 2.931 ( 19.833 11.450 -35.194) 41.989 3.559 ( -8.204 -4.737 1.640) 9.614 3.681 ( -5.799 -3.348 2.815) 7.264 ======================= Grid point 372 (124/231) ======================= q-point: ( 0.31 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 8.060 4.654 9.091) 13.010 0.690 ( 11.726 6.770 1.174) 13.590 0.738 ( 9.507 5.489 -1.041) 11.026 0.752 ( 4.719 2.724 -1.064) 5.552 0.900 ( 16.374 9.453 0.261) 18.909 0.916 ( 13.567 7.833 0.298) 15.668 1.926 ( 0.652 0.377 1.065) 1.305 1.971 ( 0.610 0.352 -1.436) 1.600 2.149 ( -4.923 -2.843 1.486) 5.876 2.162 ( -3.573 -2.063 1.351) 4.341 2.209 ( -3.581 -2.067 -0.867) 4.225 2.230 ( -2.434 -1.405 -1.669) 3.268 2.483 ( 1.739 1.004 2.963) 3.579 2.617 ( -4.602 -2.657 -1.293) 5.469 2.677 ( 8.351 4.821 5.101) 10.909 3.099 ( 2.845 1.642 -16.646) 16.967 3.389 ( -7.379 -4.260 0.993) 8.578 3.518 ( -7.896 -4.559 0.910) 9.162 ======================= Grid point 373 (125/231) ======================= q-point: ( 0.38 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 6.112 3.529 6.318) 9.472 0.846 ( 3.412 1.970 -0.935) 4.050 0.895 ( 5.802 3.350 0.567) 6.724 0.904 ( 4.904 2.831 -0.580) 5.692 1.178 ( 9.615 5.551 0.810) 11.132 1.234 ( 12.067 6.967 -0.504) 13.943 1.952 ( 1.374 0.793 1.042) 1.899 1.992 ( 1.129 0.652 -1.601) 2.065 2.006 ( -7.567 -4.369 2.416) 9.066 2.089 ( -2.460 -1.420 1.805) 3.366 2.123 ( -3.296 -1.903 -1.113) 3.965 2.129 ( -6.081 -3.511 -2.530) 7.464 2.457 ( -1.648 -0.951 1.709) 2.558 2.518 ( -3.346 -1.932 -1.068) 4.009 2.852 ( 2.682 1.548 3.076) 4.365 3.056 ( -4.309 -2.488 -6.947) 8.545 3.227 ( -5.928 -3.423 2.848) 7.414 3.380 ( -3.584 -2.069 -2.707) 4.945 ======================= Grid point 374 (126/231) ======================= q-point: ( 0.46 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 1.581 0.913 4.182) 4.563 0.886 ( -0.053 -0.031 -0.849) 0.851 0.948 ( -0.494 -0.285 -0.674) 0.883 0.957 ( -0.340 -0.197 0.647) 0.757 1.338 ( 4.052 2.339 1.420) 4.889 1.431 ( 5.089 2.938 -1.421) 6.045 1.844 ( -6.069 -3.504 3.051) 7.643 1.959 ( -1.405 -0.811 1.476) 2.193 1.968 ( -6.636 -3.831 -2.539) 8.072 1.976 ( -2.270 -1.311 -1.755) 3.154 2.092 ( 2.390 1.380 1.677) 3.230 2.109 ( 2.559 1.477 -1.283) 3.221 2.452 ( 1.083 0.625 1.061) 1.639 2.479 ( 0.105 0.061 -0.849) 0.857 2.784 ( -6.658 -3.844 -0.506) 7.705 2.873 ( -10.084 -5.822 -1.641) 11.759 3.203 ( 1.571 0.907 4.155) 4.534 3.322 ( -1.656 -0.956 -3.685) 4.152 ======================= Grid point 375 (127/231) ======================= q-point: ( 0.54 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -3.593 -2.075 2.515) 4.852 0.836 ( -3.849 -2.222 -1.071) 4.572 0.896 ( -3.310 -1.911 -0.875) 3.921 0.913 ( -2.973 -1.717 0.872) 3.542 1.358 ( -1.934 -1.117 1.899) 2.931 1.443 ( -3.308 -1.910 -1.718) 4.188 1.796 ( 1.621 0.936 2.617) 3.218 1.881 ( -0.154 -0.089 -1.732) 1.741 1.914 ( -2.087 -1.205 -1.429) 2.801 1.931 ( -1.328 -0.767 1.439) 2.103 2.172 ( 3.528 2.037 1.543) 4.357 2.176 ( 2.895 1.672 -1.476) 3.654 2.489 ( 0.761 0.439 0.168) 0.895 2.498 ( 0.350 0.202 -0.675) 0.787 2.629 ( -5.470 -3.158 0.493) 6.335 2.653 ( -7.604 -4.390 -0.535) 8.797 3.245 ( 1.131 0.653 3.408) 3.650 3.279 ( -1.553 -0.896 -3.113) 3.592 ======================= Grid point 376 (128/231) ======================= q-point: ( 0.62 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -3.466 -2.001 -0.180) 4.006 0.751 ( -2.404 -1.388 0.202) 2.784 0.828 ( -1.945 -1.123 -1.156) 2.526 0.857 ( -1.516 -0.875 1.116) 2.076 1.321 ( -0.604 -0.349 1.705) 1.842 1.346 ( -3.518 -2.031 -0.657) 4.115 1.876 ( 3.583 2.069 1.224) 4.315 1.878 ( -0.829 -0.479 -1.704) 1.954 1.907 ( 0.944 0.545 -0.712) 1.302 1.915 ( -0.279 -0.161 1.935) 1.962 2.218 ( 0.849 0.490 -1.466) 1.764 2.236 ( 1.675 0.967 1.314) 2.338 2.421 ( -3.777 -2.181 -0.973) 4.468 2.443 ( -3.079 -1.778 0.586) 3.604 2.595 ( 0.343 0.198 -0.079) 0.404 2.600 ( 0.827 0.477 0.962) 1.355 3.240 ( -1.228 -0.709 -2.635) 2.992 3.271 ( 0.722 0.417 2.814) 2.935 ======================= Grid point 377 (129/231) ======================= q-point: (-0.31 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 2.241 1.294 -0.730) 2.689 0.764 ( 3.324 1.919 0.687) 3.899 0.823 ( 1.807 1.043 -1.140) 2.378 0.861 ( 1.644 0.949 1.080) 2.184 1.306 ( 0.583 0.337 0.371) 0.769 1.364 ( 3.638 2.100 0.686) 4.256 1.862 ( -4.273 -2.467 0.197) 4.938 1.870 ( 0.412 0.238 -1.523) 1.595 1.919 ( -0.525 -0.303 0.289) 0.672 1.925 ( 0.866 0.500 1.918) 2.163 2.205 ( -1.743 -1.006 -1.305) 2.399 2.247 ( -0.952 -0.549 1.002) 1.487 2.422 ( 3.817 2.204 -1.081) 4.538 2.444 ( 3.211 1.854 0.789) 3.791 2.589 ( -0.872 -0.503 0.094) 1.011 2.610 ( -0.021 -0.012 1.065) 1.065 3.213 ( -0.793 -0.458 -2.022) 2.219 3.297 ( 1.163 0.672 2.123) 2.512 ======================= Grid point 378 (130/231) ======================= q-point: (-0.23 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 2.967 1.713 0.001) 3.426 0.861 ( 3.947 2.279 0.767) 4.622 0.890 ( 3.534 2.040 -0.785) 4.155 0.920 ( 2.809 1.622 0.793) 3.339 1.350 ( 1.963 1.134 1.030) 2.490 1.458 ( 3.201 1.848 -0.610) 3.747 1.770 ( -2.214 -1.278 0.794) 2.677 1.891 ( 1.623 0.937 -1.165) 2.207 1.901 ( 0.562 0.324 -0.053) 0.651 1.962 ( 2.011 1.161 1.691) 2.873 2.139 ( -3.646 -2.105 -1.116) 4.356 2.201 ( -3.036 -1.753 0.671) 3.569 2.483 ( -1.078 -0.622 -0.430) 1.317 2.503 ( 0.066 0.038 -0.342) 0.350 2.629 ( 6.203 3.581 -0.291) 7.169 2.674 ( 7.215 4.165 1.714) 8.505 3.190 ( -1.135 -0.655 -1.378) 1.902 3.331 ( 1.483 0.856 1.353) 2.182 ======================= Grid point 379 (131/231) ======================= q-point: (-0.15 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -2.264 -1.307 1.357) 2.946 0.908 ( -0.130 -0.075 0.117) 0.191 0.944 ( 0.525 0.303 -0.491) 0.780 0.964 ( 0.364 0.210 0.569) 0.707 1.332 ( -4.263 -2.462 1.326) 5.098 1.438 ( -5.261 -3.038 -0.892) 6.140 1.819 ( 6.030 3.482 0.929) 7.025 1.936 ( 2.168 1.252 -0.514) 2.555 1.991 ( 6.858 3.959 -0.589) 7.941 2.015 ( 1.869 1.079 1.507) 2.632 2.055 ( -2.752 -1.589 -1.412) 3.477 2.129 ( -2.607 -1.505 0.490) 3.049 2.441 ( -1.276 -0.737 0.040) 1.474 2.489 ( 0.040 0.023 -0.088) 0.099 2.789 ( 6.122 3.534 -0.753) 7.109 2.892 ( 10.673 6.162 1.266) 12.389 3.159 ( -0.950 -0.548 -1.022) 1.499 3.366 ( 1.415 0.817 0.547) 1.724 ======================= Grid point 384 (132/231) ======================= q-point: ( 0.23 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( 0.000 8.346 13.483) 15.857 0.385 ( -0.000 16.592 2.444) 16.771 0.484 ( -0.000 21.420 2.512) 21.567 0.509 ( -0.000 11.712 -1.538) 11.812 0.577 ( -0.000 15.547 -1.700) 15.640 0.684 ( -0.000 4.726 -0.036) 4.726 1.909 ( 0.000 -0.120 0.510) 0.524 1.975 ( -0.000 0.222 -0.798) 0.829 2.145 ( -0.000 10.467 2.085) 10.672 2.229 ( 0.000 -2.729 0.945) 2.888 2.259 ( -0.000 -0.305 -0.115) 0.326 2.276 ( 0.000 -2.273 -0.562) 2.342 2.306 ( -0.000 4.744 0.922) 4.832 2.635 ( 0.000 -1.735 2.353) 2.924 2.702 ( -0.000 -1.988 -3.576) 4.092 2.873 ( -0.000 24.803 -32.483) 40.870 3.561 ( 0.000 -9.259 0.403) 9.268 3.686 ( 0.000 -6.698 2.198) 7.050 ======================= Grid point 385 (133/231) ======================= q-point: ( 0.31 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 4.438 7.890 10.238) 13.666 0.624 ( 7.692 12.934 1.340) 15.108 0.691 ( 6.168 11.496 -0.913) 13.078 0.730 ( 3.454 5.845 -0.865) 6.844 0.784 ( 9.866 16.829 0.732) 19.521 0.828 ( 7.208 12.916 -0.164) 14.792 1.918 ( 0.647 -0.028 0.566) 0.860 1.960 ( -0.868 -0.517 -1.092) 1.487 2.148 ( -2.905 -5.057 1.036) 5.923 2.169 ( -2.012 -3.921 0.176) 4.411 2.256 ( -1.077 -1.546 -0.017) 1.884 2.275 ( -0.039 -0.066 -0.774) 0.778 2.454 ( 4.216 7.059 4.824) 9.533 2.640 ( -1.128 -2.470 -0.235) 2.725 2.644 ( 1.168 2.136 2.624) 3.580 3.043 ( 3.968 7.522 -19.992) 21.726 3.436 ( -4.109 -7.246 0.415) 8.341 3.565 ( -5.123 -8.621 1.060) 10.084 ======================= Grid point 386 (134/231) ======================= q-point: ( 0.38 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 5.148 6.300 7.204) 10.867 0.808 ( 3.753 4.241 -0.373) 5.675 0.881 ( 4.663 9.988 0.232) 11.025 0.894 ( 4.306 9.504 -0.335) 10.440 1.079 ( 8.888 8.269 0.487) 12.149 1.105 ( 11.365 9.878 -0.282) 15.060 1.925 ( 0.523 -1.236 -0.012) 1.342 1.946 ( 1.279 -1.991 -0.786) 2.494 2.047 ( -2.791 -6.485 1.400) 7.198 2.071 ( -3.143 -5.016 0.365) 5.930 2.204 ( -4.356 0.643 -0.060) 4.404 2.239 ( -4.126 0.346 -1.148) 4.297 2.466 ( -1.410 -2.992 2.366) 4.066 2.540 ( -3.200 -4.457 -1.283) 5.635 2.829 ( 5.577 7.193 5.521) 10.645 3.076 ( -0.959 0.311 -10.326) 10.376 3.295 ( -5.961 -5.022 0.637) 7.820 3.383 ( -4.153 -8.752 -0.998) 9.739 ======================= Grid point 387 (135/231) ======================= q-point: ( 0.46 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 2.711 3.841 4.750) 6.683 0.884 ( 1.309 2.197 -0.466) 2.600 0.993 ( -0.868 6.146 -0.165) 6.209 1.007 ( -0.901 6.816 0.156) 6.877 1.271 ( 6.579 2.881 1.368) 7.311 1.342 ( 8.253 3.755 -1.257) 9.154 1.884 ( -2.947 -4.869 0.935) 5.767 1.924 ( -1.327 -6.263 -0.802) 6.452 1.975 ( 1.206 -0.617 1.420) 1.962 2.009 ( 0.296 -2.408 -0.377) 2.455 2.135 ( -4.329 2.071 -0.832) 4.871 2.152 ( -5.865 1.365 -0.158) 6.024 2.430 ( 0.601 -2.357 1.466) 2.840 2.464 ( -0.521 -3.115 -0.933) 3.293 2.872 ( -5.724 0.010 0.461) 5.743 2.994 ( -7.923 -1.893 -3.625) 8.916 3.171 ( 0.416 -3.843 4.674) 6.066 3.292 ( 0.669 -5.176 -3.890) 6.509 ======================= Grid point 388 (136/231) ======================= q-point: ( 0.54 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -2.237 0.624 2.711) 3.570 0.881 ( -2.857 -0.156 -0.597) 2.923 0.989 ( -5.011 4.527 -0.307) 6.760 1.004 ( -5.242 4.442 0.388) 6.882 1.352 ( 1.687 -1.533 2.007) 3.037 1.436 ( 1.631 -1.861 -1.877) 3.106 1.798 ( -1.628 -1.387 1.663) 2.709 1.856 ( -0.064 -3.307 -0.550) 3.354 1.962 ( -2.931 0.546 -0.626) 3.046 1.991 ( -3.029 1.426 0.201) 3.353 2.122 ( 2.359 0.147 1.461) 2.779 2.131 ( 2.094 0.563 -1.389) 2.575 2.447 ( 2.983 -1.675 0.722) 3.497 2.459 ( 2.466 -1.962 -0.708) 3.230 2.729 ( -8.308 -1.515 0.290) 8.450 2.785 ( -11.235 -2.430 -1.346) 11.573 3.203 ( 3.461 -2.454 3.998) 5.830 3.255 ( 0.781 -4.224 -3.524) 5.556 ======================= Grid point 389 (137/231) ======================= q-point: ( 0.62 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -5.553 -0.528 0.094) 5.579 0.806 ( -4.478 -0.116 0.304) 4.490 0.931 ( -6.662 5.375 -0.651) 8.584 0.949 ( -5.897 4.830 0.679) 7.653 1.333 ( -0.973 -1.581 2.207) 2.884 1.380 ( -3.137 -3.165 -1.338) 4.653 1.816 ( 3.008 -0.045 0.528) 3.055 1.868 ( 2.821 -0.283 -0.052) 2.835 1.922 ( -2.623 2.191 -0.311) 3.432 1.951 ( -2.979 1.222 0.641) 3.283 2.180 ( 3.169 -0.541 -1.385) 3.500 2.189 ( 4.329 -0.591 1.284) 4.554 2.460 ( -0.761 -2.722 -0.503) 2.871 2.466 ( -0.175 -2.837 -0.202) 2.850 2.612 ( -3.548 0.514 1.120) 3.756 2.616 ( -5.198 0.047 -0.197) 5.202 3.218 ( 0.685 -3.741 -2.632) 4.626 3.237 ( 2.503 -2.818 2.858) 4.730 ======================= Grid point 390 (138/231) ======================= q-point: (-0.31 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( -2.277 2.459 -0.623) 3.409 0.766 ( -0.836 2.759 0.441) 2.916 0.894 ( -4.532 7.572 -0.794) 8.861 0.922 ( -3.658 6.500 0.735) 7.495 1.311 ( -1.324 -0.894 -0.034) 1.598 1.335 ( 1.427 0.704 1.259) 2.029 1.849 ( 1.134 -1.230 -1.234) 2.079 1.901 ( -2.605 -1.950 1.041) 3.417 1.912 ( 1.259 0.982 0.674) 1.733 1.932 ( 0.455 1.832 0.304) 1.912 2.203 ( 0.253 -1.489 -1.221) 1.942 2.237 ( 1.245 -1.247 1.031) 2.042 2.408 ( -0.375 0.423 -0.860) 1.029 2.432 ( 0.259 -0.083 0.423) 0.503 2.588 ( -0.146 -0.364 0.088) 0.402 2.605 ( 0.381 0.206 1.099) 1.181 3.190 ( 0.790 -3.372 -2.059) 4.029 3.258 ( 2.620 -2.723 2.226) 4.386 ======================= Grid point 391 (139/231) ======================= q-point: (-0.23 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 1.963 4.195 -0.115) 4.633 0.830 ( 3.167 4.024 0.495) 5.145 0.926 ( -1.396 8.839 -0.572) 8.966 0.952 ( -1.197 7.078 0.587) 7.203 1.317 ( 2.060 0.013 0.920) 2.256 1.400 ( 4.224 1.001 -0.231) 4.348 1.813 ( -3.490 -1.979 0.881) 4.108 1.848 ( 0.207 -2.026 -0.888) 2.222 1.937 ( -0.049 2.901 0.141) 2.905 1.963 ( 0.435 2.662 1.041) 2.892 2.155 ( -1.998 -3.659 -0.864) 4.257 2.209 ( -1.055 -3.492 0.556) 3.690 2.453 ( 2.812 -1.052 -0.639) 3.069 2.473 ( 2.524 -0.955 -0.197) 2.706 2.602 ( 1.761 3.651 0.082) 4.055 2.639 ( 2.724 4.278 1.344) 5.247 3.169 ( 0.819 -3.417 -1.329) 3.757 3.283 ( 3.115 -2.742 1.424) 4.387 ======================= Grid point 392 (140/231) ======================= q-point: (-0.15 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -0.173 2.200 1.062) 2.449 0.908 ( 1.389 2.032 0.119) 2.464 0.991 ( -1.329 7.729 -0.368) 7.851 1.000 ( -1.176 5.566 0.510) 5.712 1.343 ( 0.469 -2.467 1.481) 2.915 1.448 ( 0.701 -2.506 -1.132) 2.837 1.781 ( 1.032 1.895 1.032) 2.392 1.852 ( 3.246 -1.680 -0.511) 3.690 1.983 ( 0.905 3.460 -0.673) 3.639 1.999 ( 0.768 1.231 1.294) 1.944 2.087 ( -1.393 -1.101 -0.614) 1.879 2.157 ( -1.451 -1.775 0.244) 2.306 2.436 ( -0.289 -3.491 -0.043) 3.503 2.469 ( 0.698 -3.007 -0.180) 3.092 2.735 ( 5.873 7.020 -0.739) 9.182 2.805 ( 8.013 7.996 1.156) 11.379 3.140 ( 0.259 -4.039 -0.720) 4.111 3.312 ( 3.360 -3.153 0.570) 4.643 ======================= Grid point 398 (141/231) ======================= q-point: ( 0.31 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 0.000 8.725 9.060) 12.578 0.688 ( -0.000 13.082 0.981) 13.119 0.744 ( -0.000 11.388 -0.804) 11.416 0.752 ( -0.000 5.764 -0.225) 5.769 0.897 ( -0.000 18.701 0.131) 18.701 0.922 ( -0.000 15.856 -0.090) 15.856 1.915 ( 0.000 0.700 0.596) 0.919 1.981 ( -0.000 0.833 -0.985) 1.290 2.148 ( 0.000 -5.382 1.542) 5.598 2.159 ( 0.000 -4.600 1.196) 4.752 2.213 ( 0.000 -3.728 -0.692) 3.792 2.227 ( -0.000 -3.031 -1.698) 3.474 2.495 ( 0.000 1.527 3.750) 4.049 2.612 ( -0.000 -5.058 -1.487) 5.272 2.688 ( 0.000 9.624 5.337) 11.005 3.047 ( -0.000 5.419 -16.204) 17.086 3.389 ( 0.000 -8.695 0.751) 8.727 3.524 ( 0.000 -9.003 -0.385) 9.011 ======================= Grid point 399 (142/231) ======================= q-point: ( 0.38 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 2.668 7.376 6.688) 10.308 0.811 ( 1.690 5.770 -0.055) 6.012 0.880 ( 6.670 8.804 0.273) 11.049 0.897 ( 5.398 8.644 -0.262) 10.194 1.087 ( 2.425 12.440 0.825) 12.701 1.099 ( 3.095 14.295 -0.845) 14.651 1.923 ( -0.335 0.463 -0.035) 0.573 1.945 ( -3.459 -0.666 -0.670) 3.586 2.050 ( -4.199 -5.491 1.383) 7.050 2.069 ( -2.278 -5.419 0.317) 5.887 2.211 ( 2.257 -2.992 0.098) 3.749 2.234 ( 2.480 -3.618 -1.303) 4.576 2.470 ( -1.919 -2.882 2.474) 4.255 2.539 ( -2.333 -4.799 -1.286) 5.489 2.834 ( 3.984 8.198 5.894) 10.854 3.058 ( 0.579 -0.321 -10.191) 10.212 3.290 ( -1.461 -8.151 0.313) 8.287 3.391 ( -5.648 -7.185 -1.205) 9.218 ======================= Grid point 400 (143/231) ======================= q-point: ( 0.46 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 2.922 4.933 4.381) 7.216 0.886 ( 1.593 3.477 -0.068) 3.825 1.053 ( 3.417 6.540 0.195) 7.382 1.068 ( 4.430 7.090 -0.194) 8.363 1.219 ( 2.451 5.582 1.532) 6.286 1.263 ( 4.204 6.229 -1.441) 7.652 1.877 ( -1.604 -3.290 -0.343) 3.677 1.902 ( -1.571 -1.889 -1.778) 3.033 1.960 ( -1.298 -3.014 2.270) 3.990 1.988 ( -1.571 -2.559 0.613) 3.065 2.203 ( -1.004 -1.143 -0.468) 1.591 2.218 ( -0.992 -1.898 -0.505) 2.200 2.408 ( -1.670 -3.063 1.703) 3.882 2.448 ( -2.491 -3.981 -0.949) 4.791 2.961 ( 0.370 4.004 2.808) 4.905 3.010 ( -0.261 -4.768 -2.957) 5.617 3.188 ( -2.613 -9.907 -0.422) 10.254 3.221 ( -4.881 -2.039 -2.004) 5.657 ======================= Grid point 401 (144/231) ======================= q-point: ( 0.54 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -0.017 1.887 2.085) 2.812 0.918 ( -0.826 1.056 0.154) 1.350 1.119 ( -2.687 6.031 0.637) 6.633 1.141 ( -3.194 6.311 -0.664) 7.104 1.294 ( 3.161 -0.691 2.206) 3.916 1.359 ( 4.302 -1.068 -1.805) 4.786 1.828 ( -1.523 -1.696 0.034) 2.280 1.831 ( -2.140 -2.339 -0.835) 3.279 1.964 ( 2.373 0.130 1.453) 2.785 1.988 ( 2.308 0.305 0.019) 2.328 2.152 ( -3.684 -0.483 -0.343) 3.732 2.161 ( -4.022 -0.377 -0.254) 4.047 2.378 ( 1.599 -3.268 0.953) 3.761 2.394 ( 0.947 -3.591 -0.633) 3.767 2.863 ( -7.924 -0.971 0.150) 7.985 2.945 ( -8.666 -2.461 -2.298) 9.297 3.106 ( 3.874 -4.512 4.497) 7.456 3.171 ( 1.491 -5.172 -3.315) 6.321 ======================= Grid point 402 (145/231) ======================= q-point: ( 0.62 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -3.992 0.047 -0.476) 4.020 0.884 ( -3.625 0.524 0.954) 3.785 1.108 ( -5.687 6.901 0.506) 8.956 1.116 ( -6.052 6.394 -0.248) 8.807 1.319 ( 1.124 -1.852 2.373) 3.213 1.372 ( 0.222 -3.000 -1.769) 3.490 1.791 ( -0.213 0.186 -0.445) 0.527 1.825 ( 1.670 -0.395 0.445) 1.772 2.001 ( -2.195 3.202 0.625) 3.932 2.031 ( -2.416 2.680 -0.134) 3.611 2.103 ( 2.529 -2.284 1.277) 3.639 2.113 ( 1.698 -1.721 -1.314) 2.751 2.388 ( 3.247 -4.520 0.396) 5.579 2.394 ( 3.015 -4.491 -0.572) 5.439 2.726 ( -7.510 0.828 0.909) 7.610 2.763 ( -9.761 0.274 -0.938) 9.810 3.136 ( 3.143 -5.356 -0.402) 6.223 3.147 ( 3.183 -5.384 0.747) 6.298 ======================= Grid point 403 (146/231) ======================= q-point: ( 0.69 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -4.119 2.238 -0.318) 4.699 0.833 ( -3.237 2.460 -0.026) 4.066 1.077 ( -6.201 8.495 0.121) 10.518 1.083 ( -5.849 8.172 0.135) 10.051 1.322 ( -0.179 -0.664 0.826) 1.075 1.330 ( -0.825 -1.167 0.140) 1.436 1.811 ( 1.677 0.196 -0.918) 1.922 1.873 ( 3.002 0.833 1.138) 3.317 1.956 ( -4.146 0.189 0.356) 4.166 1.971 ( -3.378 0.997 -0.056) 3.522 2.161 ( 3.099 -0.621 -0.951) 3.300 2.178 ( 4.669 -0.593 0.953) 4.802 2.380 ( 1.514 -5.518 -0.663) 5.760 2.387 ( 2.343 -5.306 0.102) 5.801 2.643 ( -5.301 2.770 0.034) 5.981 2.648 ( -3.894 2.916 0.905) 4.948 3.116 ( 2.149 -5.541 -1.967) 6.260 3.166 ( 3.907 -5.352 2.158) 6.969 ======================= Grid point 404 (147/231) ======================= q-point: (-0.23 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -0.856 4.629 -0.008) 4.707 0.841 ( 0.336 4.121 -0.228) 4.141 1.076 ( -4.154 9.000 0.169) 9.914 1.084 ( -4.384 9.771 0.144) 10.710 1.298 ( -0.131 -0.774 0.496) 0.929 1.353 ( 2.091 0.379 0.281) 2.143 1.817 ( -0.333 -1.362 -1.060) 1.758 1.864 ( -3.201 -1.445 1.278) 3.738 1.954 ( 1.657 3.108 0.361) 3.540 1.980 ( 1.638 3.333 0.058) 3.714 2.150 ( -1.925 -3.365 -0.580) 3.919 2.190 ( -1.175 -3.805 0.568) 4.023 2.371 ( 3.751 -4.573 -0.458) 5.933 2.395 ( 3.813 -4.202 -0.137) 5.675 2.633 ( -0.508 5.306 0.211) 5.334 2.661 ( 0.434 5.424 0.761) 5.494 3.097 ( 2.136 -5.420 -1.167) 5.942 3.183 ( 4.071 -5.426 1.343) 6.915 ======================= Grid point 405 (148/231) ======================= q-point: (-0.15 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 0.645 3.840 0.668) 3.951 0.902 ( 1.934 2.892 -0.303) 3.492 1.101 ( -2.739 7.122 0.363) 7.639 1.122 ( -3.033 9.832 0.070) 10.289 1.299 ( 1.265 -2.339 1.323) 2.970 1.388 ( 2.402 -1.990 -0.934) 3.256 1.795 ( -0.062 -0.549 -0.506) 0.749 1.822 ( -0.851 0.514 0.608) 1.166 2.005 ( -1.111 1.894 0.692) 2.303 2.036 ( -1.717 3.025 -0.027) 3.478 2.074 ( 0.415 -2.375 -0.029) 2.411 2.137 ( 1.080 -2.411 -0.165) 2.647 2.377 ( 2.284 -5.105 -0.078) 5.593 2.404 ( 2.425 -4.839 -0.223) 5.417 2.728 ( 3.608 7.836 -0.100) 8.627 2.776 ( 4.935 7.803 0.447) 9.243 3.074 ( 1.560 -5.701 -0.359) 5.922 3.203 ( 4.307 -5.537 0.493) 7.032 ======================= Grid point 412 (149/231) ======================= q-point: ( 0.38 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 0.000 6.147 5.206) 8.055 0.854 ( -0.000 4.413 -0.050) 4.413 0.885 ( -0.000 6.388 0.211) 6.391 0.917 ( -0.000 5.907 -0.258) 5.913 1.199 ( -0.000 11.950 1.387) 12.030 1.217 ( -0.000 13.234 -1.500) 13.319 1.945 ( 0.000 1.898 0.801) 2.060 2.001 ( -0.000 1.254 -1.508) 1.961 2.019 ( 0.000 -8.216 2.894) 8.711 2.074 ( 0.000 -3.701 1.471) 3.983 2.116 ( -0.000 -7.293 -2.871) 7.838 2.138 ( 0.000 -3.176 -0.641) 3.240 2.467 ( 0.000 -2.327 1.910) 3.011 2.517 ( -0.000 -3.511 -1.063) 3.669 2.863 ( 0.000 2.060 4.150) 4.633 3.020 ( -0.000 -2.953 -7.743) 8.287 3.226 ( 0.000 -7.375 2.892) 7.922 3.386 ( -0.000 -3.612 -3.127) 4.778 ======================= Grid point 413 (150/231) ======================= q-point: ( 0.46 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 1.882 3.501 3.386) 5.222 0.896 ( 0.894 2.759 -0.010) 2.900 0.995 ( 6.846 2.450 -0.182) 7.273 1.007 ( 5.165 2.474 0.157) 5.729 1.295 ( -1.120 7.814 1.914) 8.122 1.322 ( -0.600 8.510 -2.062) 8.776 1.887 ( -3.673 -4.650 0.927) 5.997 1.925 ( -4.360 -4.555 -1.041) 6.391 1.966 ( -0.732 0.432 1.475) 1.703 2.015 ( -2.202 0.011 -0.148) 2.207 2.131 ( 4.645 -4.896 -0.774) 6.793 2.157 ( 3.457 -2.580 -0.283) 4.323 2.433 ( -2.333 -1.019 1.335) 2.875 2.467 ( -2.559 -1.761 -0.809) 3.210 2.883 ( 3.625 -5.578 2.289) 7.035 2.975 ( 1.409 -6.097 -5.425) 8.282 3.155 ( -3.165 -2.976 4.067) 5.951 3.312 ( -4.997 -1.109 -3.222) 6.048 ======================= Grid point 414 (151/231) ======================= q-point: ( 0.54 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 1.923 0.373 1.670) 2.574 0.927 ( 0.627 0.193 0.066) 0.660 1.122 ( 5.930 0.721 0.761) 6.022 1.139 ( 7.678 0.576 -0.838) 7.745 1.312 ( -3.061 2.862 2.263) 4.763 1.344 ( -2.386 2.768 -2.026) 4.178 1.813 ( -0.893 -2.619 0.231) 2.776 1.846 ( -0.897 -2.502 -1.032) 2.852 1.965 ( -0.757 2.441 1.204) 2.825 1.990 ( -1.288 2.155 0.111) 2.513 2.144 ( 2.035 -4.102 -0.068) 4.580 2.169 ( 1.042 -3.072 -0.571) 3.293 2.376 ( -3.456 -0.538 0.839) 3.597 2.397 ( -3.839 -0.804 -0.526) 3.957 2.880 ( 2.936 -7.618 1.024) 8.228 2.929 ( 2.092 -7.871 -3.387) 8.821 3.081 ( -4.118 -0.322 3.919) 5.694 3.196 ( -6.780 -0.139 -2.577) 7.254 ======================= Grid point 415 (152/231) ======================= q-point: ( 0.62 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -0.607 -0.843 -0.269) 1.073 0.918 ( -0.533 -1.212 0.650) 1.475 1.210 ( 2.000 2.337 0.937) 3.215 1.230 ( 0.412 2.779 -0.976) 2.974 1.292 ( -0.556 0.242 2.261) 2.341 1.324 ( 0.442 -0.891 -1.590) 1.875 1.798 ( 0.942 -0.735 0.557) 1.318 1.816 ( -1.256 0.447 -1.242) 1.822 2.013 ( 2.236 3.964 1.042) 4.669 2.022 ( 1.764 2.995 0.170) 3.480 2.115 ( -1.415 -3.006 -0.154) 3.326 2.128 ( -2.129 -2.920 -0.504) 3.649 2.318 ( -1.309 -2.897 0.600) 3.235 2.328 ( -1.817 -2.697 -0.492) 3.289 2.831 ( -2.661 -2.639 0.707) 3.814 2.867 ( -1.840 -4.634 -1.598) 5.236 3.039 ( 0.617 -3.225 2.747) 4.281 3.087 ( -3.695 -2.304 -1.962) 4.776 ======================= Grid point 416 (153/231) ======================= q-point: ( 0.69 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -2.254 0.605 0.221) 2.344 0.896 ( -1.716 0.689 -0.560) 1.932 1.230 ( -3.504 4.919 -0.349) 6.049 1.236 ( -2.752 5.134 0.935) 5.900 1.307 ( 1.380 -0.238 1.520) 2.066 1.325 ( 0.282 -1.091 -1.184) 1.635 1.814 ( -0.378 2.966 -1.095) 3.184 1.841 ( 2.875 1.980 0.883) 3.601 2.032 ( -3.829 -2.212 1.003) 4.534 2.043 ( -4.011 -2.047 -0.541) 4.536 2.102 ( 3.426 2.817 -0.023) 4.436 2.106 ( 2.744 2.998 -0.031) 4.064 2.278 ( 1.846 -6.670 0.386) 6.931 2.282 ( 1.547 -6.483 -0.649) 6.697 2.760 ( -4.875 2.154 0.717) 5.378 2.780 ( -5.762 1.571 -0.450) 5.989 3.020 ( 1.091 -5.411 -1.573) 5.740 3.040 ( 3.553 -6.185 1.770) 7.349 ======================= Grid point 417 (154/231) ======================= q-point: (-0.23 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -1.706 2.773 0.419) 3.282 0.884 ( -1.142 2.461 -0.892) 2.856 1.220 ( -3.773 5.687 0.044) 6.825 1.242 ( -3.166 6.310 0.671) 7.091 1.303 ( -1.075 -0.693 -0.138) 1.286 1.332 ( 0.978 0.138 0.495) 1.105 1.834 ( -1.627 2.782 -1.303) 3.476 1.918 ( -0.857 2.840 1.964) 3.557 1.951 ( -0.819 0.113 -0.494) 0.964 1.982 ( -0.296 0.415 0.003) 0.510 2.151 ( -0.328 -0.189 -0.316) 0.493 2.171 ( 1.584 -0.553 0.806) 1.861 2.241 ( 3.143 -7.885 -0.873) 8.533 2.264 ( 4.738 -6.759 0.024) 8.254 2.726 ( -3.731 5.428 0.310) 6.593 2.733 ( -2.476 5.221 0.256) 5.784 2.993 ( 2.719 -6.210 -0.942) 6.844 3.050 ( 4.590 -6.769 1.071) 8.248 ======================= Grid point 418 (155/231) ======================= q-point: (-0.15 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -0.084 2.463 0.600) 2.536 0.902 ( 0.683 1.899 -0.835) 2.184 1.214 ( -3.079 4.832 0.399) 5.744 1.255 ( -2.515 5.758 0.210) 6.287 1.276 ( -0.815 -1.711 1.032) 2.158 1.343 ( 0.797 -1.229 -0.656) 1.605 1.804 ( -2.276 0.616 -0.519) 2.414 1.861 ( -3.065 0.228 0.120) 3.075 2.008 ( 3.012 0.606 0.766) 3.166 2.054 ( 3.947 3.283 -0.123) 5.135 2.097 ( -4.531 -1.414 0.084) 4.747 2.122 ( -3.295 -0.853 -0.219) 3.411 2.263 ( 5.205 -4.800 0.065) 7.081 2.294 ( 4.764 -4.630 -0.336) 6.652 2.759 ( 0.701 5.728 0.347) 5.781 2.784 ( 1.866 5.430 -0.076) 5.742 2.984 ( 2.599 -4.766 0.081) 5.429 3.069 ( 4.787 -5.498 0.184) 7.293 ======================= Grid point 426 (156/231) ======================= q-point: ( 0.46 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 0.000 0.551 2.323) 2.388 0.905 ( -0.000 0.388 -0.282) 0.480 0.938 ( 0.000 -0.741 0.010) 0.741 0.969 ( -0.000 -0.289 -0.092) 0.304 1.378 ( 0.000 5.083 2.135) 5.513 1.398 ( -0.000 5.639 -2.396) 6.127 1.873 ( 0.000 -6.682 3.425) 7.508 1.939 ( 0.000 -3.085 0.746) 3.174 1.948 ( -0.000 -7.396 -3.122) 8.028 2.006 ( -0.000 -0.734 -1.664) 1.818 2.066 ( 0.000 2.449 1.650) 2.953 2.127 ( -0.000 2.861 -0.668) 2.938 2.455 ( 0.000 0.721 0.947) 1.190 2.481 ( -0.000 0.193 -0.621) 0.650 2.784 ( 0.000 -8.408 1.851) 8.610 2.867 ( -0.000 -9.639 -4.451) 10.617 3.186 ( 0.000 0.353 4.227) 4.241 3.340 ( -0.000 -0.636 -3.354) 3.414 ======================= Grid point 427 (157/231) ======================= q-point: ( 0.54 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 1.708 -2.523 1.388) 3.348 0.902 ( 0.859 -2.322 -0.502) 2.526 0.986 ( 7.328 -2.551 -0.080) 7.760 1.008 ( 5.669 -1.882 0.063) 5.973 1.387 ( -2.455 0.516 2.267) 3.381 1.407 ( -2.234 0.988 -2.431) 3.446 1.816 ( -1.543 -1.634 1.087) 2.496 1.841 ( -1.825 -2.222 -0.179) 2.881 1.964 ( 3.098 -2.196 -0.679) 3.857 2.005 ( 1.432 -1.534 -0.740) 2.225 2.097 ( -0.314 2.028 1.396) 2.482 2.149 ( -1.146 2.160 -0.838) 2.585 2.443 ( -2.888 1.322 0.597) 3.232 2.463 ( -2.942 1.033 -0.407) 3.145 2.734 ( 3.584 -8.521 1.715) 9.402 2.786 ( 2.553 -9.387 -3.308) 10.275 3.167 ( -3.526 0.507 3.295) 4.853 3.291 ( -4.325 -0.189 -2.720) 5.113 ======================= Grid point 428 (158/231) ======================= q-point: ( 0.62 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 2.644 -3.384 0.517) 4.325 0.891 ( 1.366 -3.287 -0.258) 3.569 1.111 ( 8.020 -1.656 0.353) 8.197 1.117 ( 9.625 -1.844 -0.497) 9.813 1.339 ( -2.657 -0.664 1.979) 3.379 1.358 ( -2.549 -0.280 -1.834) 3.152 1.788 ( -0.712 0.005 -0.065) 0.715 1.829 ( -0.172 1.180 -0.053) 1.193 2.010 ( 3.843 -0.491 -0.270) 3.883 2.033 ( 3.106 -0.449 -0.287) 3.152 2.090 ( -2.227 0.882 1.340) 2.744 2.122 ( -3.175 0.791 -1.009) 3.424 2.382 ( -5.367 0.324 0.525) 5.403 2.397 ( -5.494 0.305 -0.378) 5.515 2.738 ( 5.080 -6.774 1.171) 8.548 2.758 ( 4.173 -7.182 -1.926) 8.526 3.096 ( -5.437 0.067 2.255) 5.886 3.188 ( -6.996 0.087 -1.928) 7.258 ======================= Grid point 429 (159/231) ======================= q-point: ( 0.69 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 1.735 -1.624 0.046) 2.377 0.890 ( 1.466 -1.326 -0.008) 1.977 1.226 ( 5.974 -0.223 0.488) 5.998 1.246 ( 5.818 -0.043 -0.853) 5.880 1.309 ( -0.904 0.179 1.364) 1.646 1.324 ( -1.354 0.762 -1.030) 1.864 1.805 ( 2.532 1.120 0.593) 2.831 1.851 ( 0.385 3.472 -0.818) 3.588 2.032 ( 0.151 -4.062 0.943) 4.173 2.045 ( 0.016 -4.811 -0.686) 4.860 2.101 ( 1.267 4.095 0.184) 4.291 2.110 ( 0.660 4.300 -0.556) 4.386 2.273 ( -6.352 -2.106 0.715) 6.730 2.284 ( -6.637 -1.765 -0.486) 6.885 2.768 ( 4.062 -3.340 -0.288) 5.266 2.775 ( 4.241 -3.833 0.018) 5.717 3.003 ( -4.831 -1.374 1.402) 5.215 3.058 ( -7.556 -0.378 -1.244) 7.667 ======================= Grid point 430 (160/231) ======================= q-point: ( 0.77 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 0.176 0.442 0.768) 0.903 0.906 ( 0.474 0.530 -0.839) 1.100 1.296 ( 0.134 1.344 0.179) 1.362 1.298 ( 1.368 1.459 0.014) 2.000 1.309 ( 0.003 -0.202 0.083) 0.218 1.317 ( -0.023 0.293 -0.138) 0.325 1.899 ( 4.405 2.913 0.354) 5.293 1.904 ( 0.702 5.614 -0.518) 5.681 1.996 ( -0.953 -1.345 0.834) 1.847 2.001 ( -0.996 -1.438 -0.623) 1.856 2.128 ( -1.972 -3.865 0.040) 4.339 2.150 ( -1.828 -2.647 -0.109) 3.219 2.157 ( -0.367 -0.791 -0.039) 0.873 2.176 ( -0.096 -0.436 0.025) 0.447 2.813 ( 1.453 2.631 0.013) 3.006 2.818 ( 1.308 2.428 -0.002) 2.758 2.923 ( -1.077 -4.857 0.408) 4.991 2.931 ( -3.761 -3.623 -0.349) 5.234 ======================= Grid point 431 (161/231) ======================= q-point: (-0.15 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -0.556 0.040 0.245) 0.609 0.910 ( -0.294 0.236 -0.434) 0.575 1.286 ( -1.794 -1.010 0.439) 2.105 1.293 ( -2.168 1.155 0.384) 2.486 1.304 ( -0.632 -0.529 0.131) 0.834 1.328 ( 0.649 -0.181 -0.518) 0.850 1.894 ( -6.058 1.858 0.074) 6.337 1.926 ( -4.240 -1.332 -1.163) 4.594 1.970 ( 1.148 -0.466 1.336) 1.822 2.009 ( 2.609 -0.504 -0.128) 2.660 2.126 ( 5.971 0.617 0.075) 6.004 2.154 ( -1.818 -0.190 -0.002) 1.828 2.164 ( 3.831 -1.215 -0.581) 4.061 2.173 ( 1.037 1.361 0.239) 1.728 2.813 ( -3.063 -0.524 -0.024) 3.107 2.818 ( -2.888 -0.017 0.031) 2.888 2.905 ( 3.988 1.480 0.713) 4.314 2.944 ( 5.596 -1.240 -0.462) 5.750 ======================= Grid point 440 (162/231) ======================= q-point: ( 0.54 0.54 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 0.000 -4.995 1.164) 5.128 0.858 ( 0.000 -4.673 -0.930) 4.765 0.882 ( 0.000 -4.173 0.295) 4.183 0.927 ( 0.000 -3.155 -0.305) 3.170 1.399 ( 0.000 -3.073 2.084) 3.713 1.415 ( -0.000 -2.276 -2.372) 3.287 1.830 ( 0.000 1.367 2.216) 2.603 1.862 ( -0.000 0.284 -2.357) 2.374 1.884 ( 0.000 -2.353 0.752) 2.470 1.969 ( -0.000 -1.610 -1.274) 2.053 2.142 ( 0.000 3.619 1.292) 3.843 2.199 ( -0.000 3.831 -0.798) 3.914 2.480 ( 0.000 -0.277 0.459) 0.536 2.496 ( -0.000 0.173 -0.009) 0.173 2.629 ( 0.000 -5.917 1.067) 6.012 2.673 ( -0.000 -7.218 -2.551) 7.656 3.205 ( 0.000 -0.117 2.663) 2.666 3.321 ( -0.000 -0.328 -2.393) 2.415 ======================= Grid point 441 (163/231) ======================= q-point: ( 0.62 0.54 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 2.571 -4.966 0.832) 5.654 0.820 ( 1.732 -4.597 -0.827) 4.981 0.922 ( 8.559 -3.293 0.351) 9.178 0.957 ( 6.673 -2.564 -0.309) 7.156 1.355 ( -1.129 -3.188 1.354) 3.643 1.373 ( -1.101 -2.264 -1.802) 3.096 1.823 ( -2.299 1.227 -0.324) 2.626 1.858 ( -0.482 2.950 1.031) 3.162 1.925 ( 3.573 -0.647 -0.617) 3.683 1.966 ( 1.625 -1.988 -0.865) 2.709 2.159 ( -1.891 2.777 1.104) 3.537 2.206 ( -2.744 3.211 -0.765) 4.293 2.448 ( -1.625 -2.361 0.581) 2.925 2.467 ( -2.386 -1.402 -0.130) 2.770 2.611 ( 2.255 -3.225 0.473) 3.963 2.638 ( 2.070 -3.593 -1.607) 4.447 3.177 ( -3.329 -0.372 1.936) 3.869 3.280 ( -3.927 -0.076 -1.855) 4.344 ======================= Grid point 442 (164/231) ======================= q-point: ( 0.69 0.54 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 4.381 -2.280 0.053) 4.939 0.831 ( 3.223 -1.867 0.167) 3.728 1.078 ( 10.573 -1.121 -0.074) 10.632 1.085 ( 10.155 -0.984 -0.105) 10.203 1.319 ( -0.665 -1.417 0.639) 1.691 1.342 ( -0.710 -0.216 -1.167) 1.384 1.805 ( -0.949 1.166 0.311) 1.535 1.881 ( -0.364 3.654 -0.313) 3.686 1.960 ( 2.054 -3.522 -0.256) 4.085 1.972 ( 2.325 -2.749 -0.262) 3.610 2.151 ( -1.848 2.563 0.725) 3.242 2.188 ( -2.881 3.663 -0.721) 4.716 2.373 ( -5.565 -1.459 0.621) 5.786 2.389 ( -5.673 -0.753 -0.179) 5.726 2.642 ( 5.035 -2.837 0.156) 5.781 2.659 ( 4.143 -2.133 -0.893) 4.745 3.098 ( -5.631 -0.396 1.245) 5.781 3.185 ( -6.836 0.244 -1.304) 6.963 ======================= Grid point 443 (165/231) ======================= q-point: (-0.23 -0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 3.327 -0.093 -0.449) 3.359 0.879 ( 2.665 0.237 0.835) 2.802 1.220 ( 6.863 -0.303 -0.075) 6.871 1.245 ( 7.083 0.311 -0.494) 7.107 1.303 ( -0.113 -0.924 -0.015) 0.930 1.334 ( -0.532 0.594 -0.299) 0.852 1.828 ( 3.198 -0.002 0.910) 3.325 1.928 ( 2.871 0.835 -1.514) 3.351 1.948 ( 0.483 -0.834 0.368) 1.032 1.982 ( 0.539 -0.029 0.083) 0.546 2.150 ( 0.121 -0.259 0.265) 0.390 2.175 ( -1.191 0.923 -0.708) 1.664 2.236 ( -8.578 -0.996 0.729) 8.666 2.264 ( -8.244 0.508 0.028) 8.260 2.728 ( 6.623 -0.405 -0.285) 6.641 2.734 ( 5.583 0.363 -0.181) 5.598 2.989 ( -6.607 -0.524 0.611) 6.656 3.055 ( -8.322 0.394 -0.725) 8.363 ======================= Grid point 454 (166/231) ======================= q-point: ( 0.62 0.62 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 0.000 -3.997 0.808) 4.078 0.761 ( 0.000 -3.191 -0.681) 3.263 0.812 ( 0.000 -2.346 0.621) 2.427 0.872 ( -0.000 -1.686 -0.568) 1.779 1.332 ( 0.000 -2.913 0.587) 2.971 1.356 ( -0.000 -1.591 -1.504) 2.189 1.856 ( 0.000 -0.828 0.802) 1.153 1.888 ( -0.000 2.295 0.496) 2.348 1.903 ( -0.000 2.775 -0.855) 2.904 1.943 ( -0.000 -0.447 -1.179) 1.261 2.197 ( 0.000 1.238 0.971) 1.573 2.253 ( -0.000 1.678 -0.670) 1.807 2.407 ( 0.000 -4.090 0.546) 4.126 2.451 ( 0.000 -3.145 -0.323) 3.162 2.597 ( -0.000 0.412 -0.099) 0.423 2.617 ( -0.000 0.510 -0.926) 1.057 3.204 ( 0.000 -0.620 1.554) 1.673 3.310 ( -0.000 0.080 -1.605) 1.607 ======================= Grid point 455 (167/231) ======================= q-point: (-0.31 -0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 3.484 -0.478 0.289) 3.529 0.769 ( 2.549 0.484 -0.142) 2.598 0.886 ( 9.234 -0.083 0.489) 9.247 0.928 ( 7.144 0.047 -0.438) 7.157 1.312 ( -0.168 -0.920 -0.181) 0.953 1.348 ( -0.197 0.803 -0.880) 1.208 1.838 ( -1.510 0.177 0.685) 1.668 1.905 ( 0.962 -1.636 -0.083) 1.900 1.924 ( -0.829 0.145 -1.184) 1.452 1.935 ( 0.836 1.408 -0.126) 1.642 2.191 ( -1.285 -0.322 0.759) 1.527 2.246 ( -1.725 0.255 -0.575) 1.836 2.400 ( 0.628 -0.105 0.511) 0.817 2.435 ( -0.551 0.143 -0.123) 0.582 2.590 ( -0.229 -0.214 -0.269) 0.413 2.616 ( 0.072 0.322 -0.780) 0.847 3.172 ( -3.197 -0.550 1.126) 3.434 3.278 ( -3.778 0.471 -1.275) 4.015 ======================= Grid point 456 (168/231) ======================= q-point: (-0.23 -0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 4.538 1.685 -0.327) 4.852 0.839 ( 3.200 2.360 0.550) 4.014 1.077 ( 9.989 0.951 -0.187) 10.036 1.085 ( 10.678 1.082 -0.115) 10.733 1.301 ( -0.652 -0.207 -0.748) 1.014 1.353 ( -0.783 1.592 -0.034) 1.775 1.812 ( -1.077 -0.868 0.871) 1.635 1.871 ( 0.376 -3.716 -1.133) 3.903 1.956 ( 1.804 3.071 -0.413) 3.585 1.980 ( 2.004 3.179 0.149) 3.761 2.147 ( -1.837 -3.219 0.365) 3.724 2.192 ( -2.741 -3.103 -0.341) 4.154 2.369 ( -5.785 1.090 0.286) 5.894 2.394 ( -5.551 1.126 0.235) 5.669 2.635 ( 4.878 2.205 -0.351) 5.364 2.665 ( 4.288 3.003 -0.497) 5.259 3.092 ( -5.657 -0.667 0.674) 5.736 3.189 ( -6.839 0.621 -0.882) 6.923 ======================= Grid point 468 (169/231) ======================= q-point: (-0.31 -0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -0.000 2.976 0.117) 2.978 0.769 ( -0.000 3.885 -0.177) 3.889 0.813 ( 0.000 2.220 0.714) 2.332 0.871 ( -0.000 1.790 -0.665) 1.910 1.314 ( -0.000 1.226 -0.876) 1.507 1.369 ( -0.000 3.268 -0.211) 3.274 1.857 ( 0.000 0.592 0.869) 1.051 1.868 ( 0.000 -4.204 -0.895) 4.299 1.920 ( 0.000 -1.108 0.225) 1.131 1.943 ( -0.000 0.895 -1.202) 1.499 2.194 ( 0.000 -1.856 0.737) 1.997 2.255 ( -0.000 -1.270 -0.497) 1.364 2.411 ( -0.000 4.188 0.873) 4.278 2.451 ( -0.000 3.360 -0.380) 3.382 2.592 ( -0.000 -0.819 -0.408) 0.916 2.621 ( -0.000 0.163 -0.710) 0.729 3.197 ( 0.000 -0.550 0.951) 1.098 3.315 ( -0.000 0.943 -1.127) 1.469 ======================= Grid point 469 (170/231) ======================= q-point: (-0.23 -0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 2.681 4.029 -0.379) 4.854 0.831 ( 1.780 4.761 -0.072) 5.083 0.923 ( 8.531 3.277 0.422) 9.149 0.955 ( 6.619 2.481 -0.489) 7.085 1.323 ( -1.051 1.980 -1.250) 2.567 1.398 ( -1.244 3.761 0.555) 4.000 1.818 ( -0.266 -3.625 -1.093) 3.796 1.844 ( -1.558 -0.998 0.571) 1.936 1.937 ( 2.745 1.149 0.147) 2.979 1.968 ( 1.787 1.847 -0.789) 2.688 2.151 ( -2.068 -3.468 0.516) 4.071 2.212 ( -2.571 -2.768 -0.293) 3.789 2.450 ( -2.114 2.097 0.599) 3.037 2.471 ( -2.128 1.549 0.263) 2.645 2.602 ( 2.179 3.117 -0.205) 3.809 2.646 ( 2.228 4.573 -1.021) 5.188 3.163 ( -3.317 -0.840 0.730) 3.499 3.290 ( -3.976 1.132 -0.889) 4.228 ======================= Grid point 482 (171/231) ======================= q-point: (-0.23 -0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -0.000 3.724 -0.761) 3.801 0.864 ( -0.000 4.500 -0.351) 4.514 0.886 ( -0.000 4.159 0.625) 4.206 0.924 ( -0.000 3.185 -0.629) 3.247 1.357 ( -0.000 2.375 -1.496) 2.807 1.453 ( 0.000 3.455 1.122) 3.632 1.777 ( -0.000 -2.494 -1.744) 3.044 1.885 ( 0.000 1.981 0.827) 2.147 1.899 ( 0.000 0.567 0.637) 0.853 1.970 ( -0.000 2.249 -1.230) 2.563 2.134 ( 0.000 -4.186 0.698) 4.244 2.204 ( 0.000 -3.568 -0.391) 3.589 2.481 ( 0.000 -0.987 0.389) 1.060 2.500 ( 0.000 0.192 0.483) 0.520 2.626 ( -0.000 6.697 0.435) 6.711 2.683 ( -0.000 8.327 -1.556) 8.471 3.184 ( 0.000 -1.192 0.748) 1.407 3.337 ( -0.000 1.524 -0.773) 1.708 ======================= Grid point 553 (172/231) ======================= q-point: ( 0.23 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.143 ( 0.000 -0.000 8.191) 8.191 0.143 ( 0.000 -0.000 8.191) 8.191 0.330 ( 0.000 -0.000 18.152) 18.152 0.364 ( -0.000 0.000 -2.778) 2.778 0.364 ( -0.000 0.000 -2.778) 2.778 0.641 ( -0.000 0.000 -0.250) 0.250 1.915 ( 0.000 -0.000 0.832) 0.832 1.915 ( 0.000 -0.000 0.832) 0.832 1.969 ( -0.000 0.000 -1.101) 1.101 1.969 ( -0.000 0.000 -1.101) 1.101 2.258 ( 0.000 -0.000 0.982) 0.982 2.258 ( 0.000 -0.000 0.982) 0.982 2.298 ( -0.000 0.000 -0.617) 0.617 2.298 ( -0.000 0.000 -0.617) 0.617 2.661 ( 0.000 -0.000 2.513) 2.513 2.747 ( -0.000 0.000 -1.355) 1.355 3.685 ( -0.000 0.000 -6.837) 6.837 3.759 ( 0.000 -0.000 1.784) 1.784 ======================= Grid point 554 (173/231) ======================= q-point: ( 0.31 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( 14.061 8.118 2.994) 16.510 0.429 ( 6.942 4.008 12.855) 15.150 0.495 ( 17.492 10.099 3.421) 20.485 0.498 ( 10.131 5.849 -2.090) 11.884 0.572 ( 13.603 7.854 -1.870) 15.819 0.682 ( 3.965 2.289 -0.333) 4.591 1.921 ( 0.224 0.129 1.055) 1.086 1.962 ( -0.138 -0.080 -1.343) 1.353 2.166 ( 9.077 5.241 3.240) 10.971 2.234 ( -2.209 -1.275 1.155) 2.800 2.255 ( -0.429 -0.247 -0.666) 0.830 2.273 ( -2.113 -1.220 -0.767) 2.557 2.307 ( 5.539 3.198 1.394) 6.546 2.645 ( -1.396 -0.806 2.646) 3.098 2.678 ( 6.043 3.489 -11.796) 13.706 2.767 ( 16.500 9.526 -20.635) 28.086 3.560 ( -7.415 -4.281 -0.511) 8.578 3.690 ( -5.977 -3.451 0.396) 6.913 ======================= Grid point 555 (174/231) ======================= q-point: ( 0.38 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 7.164 4.136 9.530) 12.619 0.697 ( 11.503 6.641 1.417) 13.357 0.732 ( 9.659 5.577 -1.204) 11.218 0.747 ( 4.760 2.748 -0.854) 5.563 0.901 ( 15.884 9.171 0.271) 18.344 0.917 ( 13.966 8.063 -0.102) 16.127 1.932 ( 0.659 0.381 1.103) 1.341 1.963 ( 0.570 0.329 -1.455) 1.597 2.158 ( -4.732 -2.732 1.876) 5.777 2.170 ( -3.471 -2.004 1.516) 4.286 2.204 ( -3.645 -2.104 -1.055) 4.339 2.220 ( -2.714 -1.567 -2.010) 3.723 2.503 ( 0.729 0.421 4.068) 4.154 2.608 ( -4.456 -2.573 -1.805) 5.453 2.707 ( 9.112 5.261 5.857) 12.042 3.009 ( 5.577 3.220 -15.830) 17.090 3.393 ( -7.208 -4.162 1.054) 8.390 3.517 ( -8.338 -4.814 -1.426) 9.733 ======================= Grid point 556 (175/231) ======================= q-point: ( 0.46 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 5.470 3.158 6.321) 8.936 0.841 ( 3.428 1.979 -0.658) 4.013 0.897 ( 5.295 3.057 -0.117) 6.115 0.902 ( 5.387 3.110 0.173) 6.223 1.182 ( 9.855 5.690 0.785) 11.407 1.230 ( 11.819 6.824 -0.759) 13.669 1.958 ( 1.357 0.784 1.107) 1.919 1.984 ( 1.153 0.666 -1.486) 1.995 2.021 ( -7.387 -4.265 3.070) 9.065 2.098 ( -2.535 -1.463 1.511) 3.294 2.114 ( -6.171 -3.563 -3.070) 7.759 2.117 ( -3.226 -1.862 -1.005) 3.858 2.468 ( -1.886 -1.089 2.108) 3.031 2.512 ( -3.244 -1.873 -1.272) 3.956 2.869 ( 1.245 0.719 3.175) 3.485 3.018 ( -2.481 -1.433 -6.714) 7.300 3.246 ( -5.105 -2.947 4.010) 7.129 3.361 ( -4.070 -2.350 -4.186) 6.294 ======================= Grid point 557 (176/231) ======================= q-point: ( 0.54 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 1.116 0.644 3.723) 3.940 0.883 ( -0.101 -0.058 -0.458) 0.473 0.945 ( -0.544 -0.314 -0.590) 0.862 0.961 ( -0.291 -0.168 0.609) 0.696 1.347 ( 4.185 2.416 1.791) 5.154 1.422 ( 4.928 2.845 -1.756) 5.956 1.862 ( -6.083 -3.512 3.625) 7.904 1.953 ( -6.451 -3.725 -3.035) 8.044 1.966 ( -2.415 -1.394 -0.956) 2.947 1.969 ( -1.212 -0.700 0.929) 1.679 2.100 ( 2.557 1.476 -0.216) 2.960 2.103 ( 2.335 1.348 0.360) 2.720 2.459 ( 0.884 0.511 1.205) 1.580 2.474 ( 0.169 0.097 -0.846) 0.868 2.785 ( -6.761 -3.904 0.805) 7.849 2.860 ( -9.452 -5.457 -2.867) 11.285 3.229 ( 1.279 0.738 5.136) 5.344 3.299 ( -1.459 -0.842 -4.500) 4.805 ======================= Grid point 558 (177/231) ======================= q-point: ( 0.62 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -4.416 -2.549 -0.201) 5.103 0.833 ( -3.462 -1.999 1.380) 4.230 0.892 ( -3.382 -1.953 -0.848) 3.997 0.917 ( -2.907 -1.679 0.850) 3.463 1.370 ( -1.888 -1.090 2.520) 3.333 1.433 ( -3.156 -1.822 -1.915) 4.117 1.811 ( 1.295 0.748 2.819) 3.191 1.871 ( 0.119 0.069 -1.949) 1.954 1.905 ( -2.140 -1.235 -1.675) 2.985 1.940 ( -1.240 -0.716 1.906) 2.383 2.167 ( 2.909 1.679 -1.586) 3.715 2.180 ( 3.475 2.006 1.451) 4.267 2.489 ( 0.265 0.153 -0.246) 0.393 2.495 ( 0.524 0.303 -0.309) 0.679 2.634 ( -5.261 -3.037 1.354) 6.224 2.649 ( -7.212 -4.164 -0.902) 8.376 3.257 ( -0.695 -0.401 -1.748) 1.923 3.269 ( 0.232 0.134 1.989) 2.007 ======================= Grid point 559 (178/231) ======================= q-point: ( 0.69 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -3.637 -2.100 -0.746) 4.265 0.753 ( -2.399 -1.385 0.616) 2.838 0.821 ( -1.988 -1.148 -1.098) 2.544 0.863 ( -1.485 -0.857 1.040) 2.006 1.331 ( -1.296 -0.748 1.492) 2.113 1.343 ( -2.746 -1.586 -0.091) 3.173 1.869 ( -0.802 -0.463 -1.506) 1.768 1.883 ( 3.112 1.797 1.157) 3.775 1.903 ( 1.352 0.781 -0.626) 1.682 1.926 ( -0.281 -0.162 1.868) 1.896 2.210 ( 0.890 0.514 -1.405) 1.741 2.243 ( 1.611 0.930 1.145) 2.184 2.415 ( -3.761 -2.171 -0.903) 4.436 2.446 ( -2.880 -1.663 0.511) 3.364 2.595 ( 0.320 0.185 0.108) 0.385 2.606 ( 0.765 0.442 1.092) 1.405 3.226 ( -1.063 -0.614 -2.430) 2.722 3.286 ( 0.547 0.316 2.600) 2.676 ======================= Grid point 560 (179/231) ======================= q-point: (-0.23 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 2.359 1.362 -0.422) 2.757 0.767 ( 3.378 1.950 0.464) 3.928 0.817 ( 1.865 1.077 -0.973) 2.363 0.867 ( 1.596 0.922 0.912) 2.056 1.309 ( 0.799 0.462 0.693) 1.154 1.367 ( 3.261 1.883 0.472) 3.795 1.863 ( 0.460 0.266 -1.230) 1.340 1.864 ( -4.032 -2.328 0.624) 4.697 1.920 ( -0.693 -0.400 0.062) 0.803 1.935 ( 0.835 0.482 1.642) 1.904 2.199 ( -1.692 -0.977 -1.073) 2.229 2.252 ( -1.021 -0.589 0.765) 1.405 2.416 ( 3.761 2.172 -1.064) 4.472 2.448 ( 3.041 1.756 0.604) 3.563 2.590 ( -0.800 -0.462 0.309) 0.974 2.616 ( 0.086 0.049 0.982) 0.987 3.204 ( -0.652 -0.376 -1.520) 1.696 3.307 ( 1.000 0.578 1.677) 2.037 ======================= Grid point 567 (180/231) ======================= q-point: ( 0.31 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( -0.000 15.771 2.980) 16.050 0.450 ( 0.000 9.182 11.062) 14.376 0.499 ( -0.000 12.087 -2.136) 12.275 0.503 ( -0.000 18.254 4.785) 18.871 0.567 ( -0.000 15.930 -1.681) 16.018 0.682 ( -0.000 4.747 -0.739) 4.804 1.913 ( 0.000 -0.172 0.801) 0.819 1.970 ( -0.000 0.260 -1.080) 1.111 2.160 ( 0.000 10.178 3.102) 10.640 2.235 ( 0.000 -2.705 1.160) 2.943 2.257 ( -0.000 -0.649 -0.558) 0.856 2.273 ( -0.000 -2.282 -0.781) 2.412 2.313 ( -0.000 7.231 1.873) 7.470 2.646 ( -0.000 4.980 -4.843) 6.947 2.654 ( -0.000 9.529 -10.482) 14.166 2.741 ( -0.000 11.075 -12.090) 16.395 3.559 ( 0.000 -8.262 -0.210) 8.264 3.690 ( 0.000 -6.882 -0.734) 6.921 ======================= Grid point 568 (181/231) ======================= q-point: ( 0.38 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 3.984 6.904 9.607) 12.483 0.632 ( 7.528 12.485 1.595) 14.666 0.686 ( 6.265 11.763 -0.980) 13.363 0.726 ( 3.370 6.172 -0.724) 7.069 0.789 ( 9.701 16.283 0.915) 18.976 0.826 ( 7.365 13.154 -0.882) 15.101 1.922 ( 0.667 -0.225 0.714) 1.003 1.954 ( -0.939 -0.401 -1.172) 1.554 2.154 ( -2.849 -4.919 1.070) 5.785 2.169 ( -2.126 -4.145 0.072) 4.659 2.257 ( -0.997 -1.394 0.049) 1.715 2.271 ( -0.150 -0.284 -0.761) 0.826 2.485 ( 3.565 5.929 6.349) 9.390 2.630 ( -2.370 -4.108 -2.346) 5.291 2.666 ( 3.472 5.523 4.476) 7.911 2.938 ( 5.561 10.367 -18.055) 21.550 3.439 ( -4.153 -7.326 1.165) 8.502 3.563 ( -5.140 -8.627 -1.936) 10.227 ======================= Grid point 569 (182/231) ======================= q-point: ( 0.46 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 4.729 5.579 6.588) 9.843 0.807 ( 3.605 4.221 -0.373) 5.563 0.882 ( 4.606 9.846 0.185) 10.872 0.892 ( 4.415 9.765 -0.173) 10.718 1.081 ( 9.133 8.582 0.306) 12.536 1.103 ( 11.151 9.563 -0.409) 14.696 1.925 ( 0.561 -1.666 0.026) 1.759 1.942 ( 1.335 -1.880 -0.680) 2.404 2.055 ( -2.863 -6.126 1.351) 6.896 2.072 ( -2.877 -5.229 0.111) 5.969 2.204 ( -4.539 0.646 0.163) 4.587 2.232 ( -4.142 0.481 -1.116) 4.316 2.480 ( -1.728 -3.274 2.744) 4.608 2.532 ( -3.085 -4.325 -1.604) 5.550 2.860 ( 4.731 6.668 5.748) 9.994 3.023 ( 0.660 2.086 -8.843) 9.110 3.299 ( -5.021 -5.426 1.345) 7.514 3.373 ( -5.033 -8.632 -2.910) 10.407 ======================= Grid point 570 (183/231) ======================= q-point: ( 0.54 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 2.324 3.266 3.856) 5.562 0.882 ( 1.288 2.320 -0.166) 2.659 0.992 ( -0.981 6.322 -0.069) 6.399 1.008 ( -0.787 6.632 0.085) 6.679 1.279 ( 6.743 3.081 1.576) 7.579 1.335 ( 8.089 3.589 -1.547) 8.984 1.890 ( -2.302 -5.207 1.200) 5.819 1.918 ( -0.813 -5.982 -1.178) 6.151 1.984 ( 0.403 -1.042 1.811) 2.127 2.005 ( -0.076 -2.080 -0.905) 2.270 2.131 ( -4.603 2.074 -0.700) 5.097 2.151 ( -5.395 1.510 0.026) 5.602 2.439 ( 0.404 -2.532 1.570) 3.006 2.459 ( -0.435 -3.015 -0.992) 3.204 2.878 ( -6.187 -0.467 1.675) 6.427 2.973 ( -7.384 -1.248 -4.275) 8.623 3.200 ( 0.831 -3.842 5.484) 6.748 3.268 ( 0.551 -4.983 -4.787) 6.932 ======================= Grid point 571 (184/231) ======================= q-point: ( 0.62 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -2.616 0.057 -0.056) 2.617 0.883 ( -2.858 0.021 1.683) 3.317 0.988 ( -5.229 4.702 -0.249) 7.036 1.006 ( -5.022 4.302 0.316) 6.620 1.364 ( 1.784 -1.442 2.472) 3.372 1.425 ( 1.620 -1.860 -2.127) 3.257 1.807 ( -1.300 -2.094 1.557) 2.915 1.852 ( -0.263 -2.897 -0.880) 3.039 1.960 ( -3.349 0.964 -0.277) 3.496 1.992 ( -2.630 1.259 0.493) 2.957 2.123 ( 2.127 0.592 -1.474) 2.655 2.131 ( 2.354 0.111 1.335) 2.708 2.451 ( 2.760 -1.822 0.482) 3.342 2.456 ( 2.518 -1.905 -0.425) 3.186 2.734 ( -8.260 -1.549 1.625) 8.560 2.776 ( -10.777 -2.116 -2.187) 11.198 3.223 ( 2.519 -3.124 1.513) 4.289 3.237 ( 1.601 -3.584 -1.167) 4.095 ======================= Grid point 572 (185/231) ======================= q-point: ( 0.69 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -5.595 -0.555 -0.784) 5.677 0.810 ( -4.659 -0.293 0.986) 4.771 0.928 ( -6.846 5.528 -0.630) 8.821 0.952 ( -5.760 4.693 0.613) 7.455 1.346 ( -1.130 -1.737 2.397) 3.168 1.373 ( -2.797 -2.955 -1.319) 4.277 1.819 ( 2.745 -0.666 0.421) 2.856 1.867 ( 2.843 0.203 -0.458) 2.887 1.921 ( -2.529 2.571 0.068) 3.607 1.955 ( -2.846 0.885 0.924) 3.120 2.173 ( 3.180 -0.446 -1.390) 3.499 2.196 ( 4.288 -0.669 1.161) 4.492 2.456 ( -1.059 -2.668 -0.797) 2.979 2.466 ( -0.003 -2.821 0.062) 2.821 2.615 ( -4.915 0.147 -0.238) 4.923 2.620 ( -3.507 0.408 1.484) 3.830 3.203 ( 0.781 -3.581 -2.706) 4.556 3.253 ( 2.393 -2.978 2.858) 4.771 ======================= Grid point 573 (186/231) ======================= q-point: (-0.23 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -2.252 2.581 -0.474) 3.458 0.768 ( -0.810 2.641 0.289) 2.778 0.889 ( -4.628 7.781 -0.676) 9.079 0.925 ( -3.581 6.335 0.614) 7.303 1.311 ( -1.056 -0.779 0.132) 1.319 1.342 ( 1.136 0.487 1.159) 1.694 1.843 ( 1.017 -1.223 -0.992) 1.874 1.904 ( -2.699 -0.796 0.297) 2.829 1.917 ( 1.305 -0.072 1.276) 1.827 1.934 ( 0.685 1.701 0.262) 1.852 2.196 ( 0.289 -1.385 -1.035) 1.753 2.242 ( 1.175 -1.307 0.823) 1.941 2.404 ( -0.406 0.462 -0.719) 0.946 2.434 ( 0.353 -0.253 0.252) 0.502 2.589 ( -0.120 -0.344 0.248) 0.441 2.611 ( 0.333 0.236 1.016) 1.095 3.180 ( 0.935 -3.214 -1.630) 3.723 3.269 ( 2.470 -2.880 1.809) 4.203 ======================= Grid point 581 (187/231) ======================= q-point: ( 0.38 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 0.000 7.658 8.163) 11.193 0.694 ( -0.000 12.731 1.190) 12.786 0.739 ( -0.000 11.661 -1.111) 11.713 0.750 ( -0.000 5.784 -0.482) 5.804 0.898 ( -0.000 18.342 0.221) 18.343 0.920 ( -0.000 16.234 -0.477) 16.241 1.919 ( 0.000 0.691 0.896) 1.132 1.975 ( -0.000 0.793 -1.220) 1.455 2.158 ( 0.000 -5.107 1.968) 5.473 2.166 ( 0.000 -4.567 1.382) 4.772 2.209 ( 0.000 -3.706 -0.955) 3.827 2.217 ( -0.000 -3.409 -1.958) 3.932 2.518 ( 0.000 0.066 4.466) 4.466 2.602 ( -0.000 -4.800 -2.072) 5.228 2.720 ( 0.000 10.707 6.220) 12.383 2.962 ( -0.000 8.204 -14.485) 16.647 3.395 ( 0.000 -8.656 1.945) 8.872 3.514 ( -0.000 -9.176 -3.172) 9.709 ======================= Grid point 582 (188/231) ======================= q-point: ( 0.46 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 2.467 6.533 5.635) 8.973 0.810 ( 1.642 5.729 -0.335) 5.969 0.881 ( 6.610 8.716 0.256) 10.941 0.896 ( 5.551 8.810 -0.320) 10.418 1.091 ( 2.492 12.851 0.673) 13.108 1.094 ( 3.044 13.907 -0.918) 14.265 1.923 ( -0.740 0.286 0.108) 0.801 1.941 ( -3.341 -0.516 -0.569) 3.428 2.057 ( -3.916 -5.424 1.338) 6.822 2.070 ( -2.617 -5.274 0.103) 5.888 2.211 ( 2.333 -3.178 0.037) 3.943 2.227 ( 2.654 -3.565 -1.113) 4.582 2.484 ( -1.981 -3.362 2.660) 4.723 2.531 ( -2.307 -4.579 -1.651) 5.386 2.867 ( 3.883 7.481 6.288) 10.515 3.007 ( 1.378 1.623 -8.586) 8.846 3.293 ( -2.217 -8.023 1.328) 8.429 3.379 ( -5.177 -7.405 -3.224) 9.593 ======================= Grid point 583 (189/231) ======================= q-point: ( 0.54 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 2.686 4.256 3.238) 5.984 0.886 ( 1.631 3.592 -0.112) 3.946 1.055 ( 3.531 6.696 0.278) 7.575 1.067 ( 4.279 6.889 -0.285) 8.115 1.227 ( 2.557 5.901 1.510) 6.606 1.254 ( 4.193 5.980 -1.568) 7.470 1.877 ( -1.524 -3.189 0.233) 3.542 1.893 ( -1.696 -2.211 -1.534) 3.181 1.972 ( -1.286 -2.919 1.892) 3.708 1.989 ( -1.583 -2.428 -0.012) 2.898 2.201 ( -1.023 -1.342 -0.353) 1.724 2.216 ( -0.906 -1.699 -0.355) 1.957 2.418 ( -1.783 -3.338 1.707) 4.152 2.442 ( -2.417 -3.802 -1.120) 4.643 2.971 ( -1.986 2.087 0.843) 3.002 3.003 ( 2.050 -2.714 -0.026) 3.401 3.183 ( -1.722 -8.717 -1.278) 8.977 3.212 ( -5.468 -2.948 -1.382) 6.364 ======================= Grid point 584 (190/231) ======================= q-point: ( 0.62 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -0.526 1.344 0.453) 1.513 0.922 ( -0.560 1.129 0.974) 1.593 1.123 ( -2.756 6.222 0.822) 6.855 1.137 ( -3.024 6.113 -0.797) 6.867 1.307 ( 3.241 -0.567 2.357) 4.047 1.349 ( 4.214 -1.059 -2.063) 4.811 1.825 ( -2.708 -1.828 -0.985) 3.412 1.831 ( -0.502 -2.405 0.549) 2.517 1.971 ( 1.982 0.287 1.132) 2.301 1.987 ( 2.316 0.282 -0.212) 2.343 2.149 ( -3.705 -0.265 -0.542) 3.754 2.161 ( -3.897 -0.603 0.207) 3.949 2.383 ( 1.437 -3.416 0.771) 3.785 2.390 ( 1.009 -3.511 -0.519) 3.690 2.868 ( -7.643 -1.167 1.731) 7.923 2.930 ( -8.482 -2.067 -2.994) 9.229 3.128 ( 3.570 -4.938 2.809) 6.709 3.154 ( 1.561 -4.706 -2.093) 5.382 ======================= Grid point 585 (191/231) ======================= q-point: ( 0.69 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -4.059 0.198 -0.360) 4.080 0.888 ( -3.720 0.080 0.542) 3.760 1.111 ( -6.008 7.121 0.501) 9.331 1.115 ( -5.754 6.258 -0.239) 8.505 1.333 ( 1.083 -1.986 2.411) 3.306 1.362 ( 0.389 -2.847 -1.894) 3.442 1.789 ( -0.010 -0.165 -0.303) 0.345 1.827 ( 1.588 -0.140 0.355) 1.634 2.005 ( -2.478 3.261 0.617) 4.142 2.031 ( -2.162 2.598 0.019) 3.380 2.105 ( 1.817 -1.614 -1.362) 2.786 2.110 ( 2.425 -2.364 1.192) 3.590 2.388 ( 3.040 -4.469 -0.452) 5.424 2.392 ( 3.089 -4.580 0.272) 5.531 2.733 ( -7.538 0.665 1.549) 7.725 2.757 ( -9.392 0.526 -1.265) 9.492 3.124 ( 2.295 -5.361 -2.704) 6.428 3.161 ( 3.960 -5.383 2.861) 7.269 ======================= Grid point 586 (192/231) ======================= q-point: ( 0.77 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -4.152 2.420 -0.124) 4.807 0.832 ( -3.225 2.170 -0.211) 3.893 1.078 ( -6.250 8.570 0.105) 10.608 1.084 ( -5.873 8.221 0.132) 10.104 1.322 ( -1.150 -1.392 -0.453) 1.861 1.335 ( 0.268 -0.540 1.324) 1.455 1.807 ( 1.574 -0.045 -0.637) 1.699 1.878 ( 3.245 1.186 0.750) 3.535 1.958 ( -4.218 0.034 0.377) 4.235 1.971 ( -3.402 0.900 0.088) 3.520 2.156 ( 3.093 -0.470 -0.875) 3.248 2.183 ( 4.667 -0.638 0.875) 4.791 2.376 ( 1.479 -5.538 -0.722) 5.777 2.388 ( 2.294 -5.286 0.159) 5.765 2.642 ( -5.213 2.851 -0.050) 5.942 2.654 ( -3.811 2.729 0.995) 4.792 3.106 ( 2.286 -5.307 -1.647) 6.008 3.176 ( 3.780 -5.582 1.787) 6.975 ======================= Grid point 595 (193/231) ======================= q-point: ( 0.46 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 0.000 5.360 4.122) 6.761 0.852 ( -0.000 4.509 -0.661) 4.557 0.887 ( -0.000 6.220 0.337) 6.229 0.915 ( -0.000 6.058 -0.444) 6.075 1.205 ( -0.000 12.517 0.429) 12.524 1.209 ( -0.000 12.671 -0.697) 12.691 1.950 ( 0.000 1.886 1.027) 2.148 1.993 ( -0.000 1.168 -1.514) 1.912 2.036 ( 0.000 -7.992 3.328) 8.657 2.082 ( 0.000 -3.715 1.513) 4.011 2.099 ( -0.000 -7.448 -3.243) 8.123 2.133 ( -0.000 -3.066 -0.940) 3.207 2.477 ( 0.000 -2.683 1.899) 3.287 2.510 ( -0.000 -3.304 -1.380) 3.580 2.888 ( 0.000 0.859 4.917) 4.992 2.979 ( -0.000 -1.915 -7.007) 7.264 3.245 ( 0.000 -6.456 4.083) 7.639 3.364 ( -0.000 -3.692 -4.734) 6.003 ======================= Grid point 596 (194/231) ======================= q-point: ( 0.54 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 1.755 2.924 2.359) 4.146 0.895 ( 0.980 2.800 -0.455) 3.001 0.994 ( 6.688 2.375 -0.182) 7.100 1.008 ( 5.348 2.547 0.085) 5.925 1.306 ( -1.044 8.039 1.719) 8.287 1.310 ( -0.634 8.288 -1.970) 8.542 1.892 ( -4.126 -4.413 1.091) 6.139 1.918 ( -4.379 -3.639 -1.371) 5.857 1.976 ( -0.702 -0.845 1.904) 2.198 2.013 ( -1.894 -0.122 -0.818) 2.066 2.128 ( 4.622 -4.412 -0.403) 6.402 2.155 ( 3.529 -2.756 -0.350) 4.491 2.440 ( -2.354 -1.296 1.281) 2.977 2.462 ( -2.528 -1.579 -1.032) 3.154 2.899 ( 3.446 -6.266 3.513) 7.967 2.945 ( 1.815 -5.769 -5.434) 8.130 3.180 ( -3.520 -2.450 4.883) 6.499 3.290 ( -4.736 -0.946 -4.417) 6.545 ======================= Grid point 597 (195/231) ======================= q-point: ( 0.62 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 1.691 0.059 0.777) 1.862 0.927 ( 0.780 0.126 0.040) 0.791 1.126 ( 6.133 0.744 0.716) 6.219 1.134 ( 7.426 0.543 -0.863) 7.496 1.324 ( -3.042 2.948 2.138) 4.745 1.332 ( -2.209 2.733 -2.066) 4.077 1.816 ( -0.853 -2.726 0.588) 2.916 1.841 ( -1.285 -2.123 -1.059) 2.698 1.971 ( -0.428 2.033 0.991) 2.301 1.989 ( -1.282 2.161 -0.350) 2.536 2.145 ( 1.953 -3.823 0.180) 4.296 2.166 ( 1.088 -3.246 -0.529) 3.464 2.381 ( -3.473 -0.712 0.790) 3.632 2.394 ( -3.800 -0.698 -0.625) 3.914 2.887 ( 2.241 -7.372 0.875) 7.755 2.912 ( 2.861 -7.894 -2.177) 8.674 3.102 ( -4.310 -0.579 3.975) 5.892 3.180 ( -6.515 0.069 -3.268) 7.289 ======================= Grid point 598 (196/231) ======================= q-point: ( 0.69 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -0.609 -0.919 -0.095) 1.106 0.921 ( -0.662 -1.318 0.223) 1.491 1.215 ( 1.818 2.303 0.671) 3.010 1.225 ( 0.896 2.737 -0.690) 2.961 1.304 ( -0.638 0.104 1.953) 2.057 1.315 ( 0.383 -0.704 -1.705) 1.885 1.801 ( 0.673 -0.531 0.499) 0.992 1.810 ( -0.870 0.281 -0.737) 1.174 2.017 ( 2.154 3.724 0.540) 4.336 2.022 ( 1.873 3.269 -0.115) 3.769 2.115 ( -1.646 -3.095 -0.058) 3.506 2.127 ( -1.902 -2.980 -0.176) 3.539 2.321 ( -1.391 -2.873 0.429) 3.221 2.325 ( -1.809 -2.732 -0.383) 3.299 2.836 ( -2.362 -2.941 0.700) 3.837 2.859 ( -1.859 -4.196 -1.030) 4.704 3.052 ( -0.139 -3.229 1.720) 3.661 3.076 ( -3.066 -2.378 -1.433) 4.136 ======================= Grid point 599 (197/231) ======================= q-point: ( 0.77 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -2.307 0.799 0.503) 2.493 0.893 ( -1.762 0.470 -0.725) 1.963 1.228 ( -3.342 5.011 -0.444) 6.039 1.241 ( -2.851 5.079 0.965) 5.904 1.313 ( 0.876 -0.678 0.260) 1.138 1.320 ( 0.912 -0.759 -0.236) 1.210 1.809 ( -0.377 2.870 -0.876) 3.025 1.846 ( 2.917 2.005 0.882) 3.648 2.035 ( -4.205 -1.762 -0.114) 4.561 2.042 ( -3.679 -2.549 0.223) 4.482 2.102 ( 3.154 2.995 -0.157) 4.352 2.107 ( 3.139 2.879 0.339) 4.273 2.277 ( 1.421 -6.495 -0.677) 6.683 2.281 ( 1.838 -6.667 0.405) 6.928 2.764 ( -4.904 1.938 0.808) 5.334 2.777 ( -5.549 1.747 -0.512) 5.840 3.011 ( 1.055 -5.119 -1.549) 5.452 3.050 ( 3.569 -6.489 1.576) 7.572 ======================= Grid point 609 (198/231) ======================= q-point: ( 0.54 0.54 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 0.000 0.189 1.603) 1.614 0.902 ( -0.000 0.355 -0.909) 0.976 0.938 ( 0.000 -0.733 0.167) 0.752 0.968 ( -0.000 -0.279 -0.264) 0.384 1.383 ( -0.000 5.492 -2.037) 5.857 1.390 ( 0.000 5.227 1.687) 5.492 1.891 ( 0.000 -6.861 3.219) 7.578 1.930 ( -0.000 -7.228 -3.216) 7.911 1.944 ( 0.000 -3.118 1.023) 3.282 1.996 ( -0.000 -0.753 -1.728) 1.885 2.075 ( 0.000 2.521 1.663) 3.020 2.123 ( -0.000 2.825 -0.947) 2.979 2.460 ( 0.000 0.528 0.902) 1.045 2.477 ( -0.000 0.372 -0.828) 0.908 2.798 ( 0.000 -8.864 3.239) 9.437 2.841 ( -0.000 -8.898 -4.873) 10.145 3.212 ( 0.000 -0.249 5.062) 5.068 3.318 ( -0.000 -0.150 -4.458) 4.460 ======================= Grid point 610 (199/231) ======================= q-point: ( 0.62 0.54 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 1.595 -2.642 0.946) 3.228 0.898 ( 1.004 -2.442 -0.877) 2.782 0.986 ( 7.150 -2.431 0.040) 7.552 1.008 ( 5.829 -1.971 -0.107) 6.154 1.393 ( -2.168 1.027 -2.621) 3.553 1.400 ( -2.452 0.485 2.291) 3.391 1.818 ( -2.164 -1.994 -0.186) 2.948 1.842 ( -1.464 -1.893 0.615) 2.471 1.961 ( 3.124 -2.331 -0.393) 3.918 2.000 ( 1.721 -1.484 -0.874) 2.434 2.105 ( -0.400 2.063 1.566) 2.620 2.144 ( -1.161 2.154 -1.053) 2.664 2.447 ( -2.899 1.219 0.639) 3.209 2.460 ( -2.952 1.180 -0.534) 3.224 2.745 ( 3.509 -8.923 2.282) 9.856 2.767 ( 2.721 -8.816 -3.323) 9.807 3.187 ( -3.634 -0.090 3.883) 5.319 3.274 ( -4.202 0.270 -3.556) 5.511 ======================= Grid point 611 (200/231) ======================= q-point: ( 0.69 0.54 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 2.411 -3.428 0.304) 4.202 0.890 ( 1.618 -3.298 -0.236) 3.681 1.112 ( 8.685 -1.886 0.080) 8.888 1.114 ( 8.878 -1.607 -0.322) 9.028 1.345 ( -2.471 -0.350 -1.525) 2.925 1.352 ( -2.574 -0.675 1.309) 2.966 1.788 ( -0.468 -0.061 0.119) 0.487 1.829 ( -0.574 1.284 -0.223) 1.424 2.008 ( 4.062 -0.589 -0.478) 4.133 2.031 ( 3.173 -0.469 -0.190) 3.213 2.098 ( -2.263 0.832 1.411) 2.793 2.116 ( -3.242 0.867 -1.124) 3.539 2.385 ( -5.357 0.332 0.592) 5.400 2.395 ( -5.519 0.346 -0.412) 5.545 2.741 ( 4.449 -6.597 -0.710) 7.989 2.751 ( 4.926 -7.302 0.126) 8.809 3.109 ( -5.578 -0.366 2.606) 6.168 3.176 ( -6.842 0.422 -2.511) 7.300 ======================= Grid point 623 (201/231) ======================= q-point: ( 0.62 0.62 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 0.000 -5.031 1.080) 5.146 0.852 ( -0.000 -4.673 -1.305) 4.852 0.884 ( 0.000 -4.099 0.520) 4.132 0.925 ( 0.000 -3.205 -0.529) 3.248 1.400 ( -0.000 -2.285 -2.636) 3.489 1.411 ( 0.000 -3.127 2.013) 3.719 1.837 ( -0.000 0.950 -0.366) 1.018 1.853 ( -0.000 0.647 -0.139) 0.662 1.889 ( 0.000 -2.411 1.126) 2.661 1.960 ( -0.000 -1.493 -1.649) 2.224 2.150 ( 0.000 3.486 1.515) 3.801 2.194 ( -0.000 3.895 -1.059) 4.037 2.483 ( 0.000 -0.225 0.663) 0.700 2.495 ( -0.000 0.359 -0.097) 0.372 2.636 ( 0.000 -6.646 1.345) 6.781 2.658 ( -0.000 -6.638 -2.722) 7.174 3.221 ( 0.000 -0.640 3.225) 3.288 3.306 ( -0.000 0.111 -3.110) 3.112 ======================= Grid point 624 (202/231) ======================= q-point: (-0.31 -0.38 -0.77) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 2.438 -5.052 0.851) 5.674 0.815 ( 1.903 -4.444 -0.921) 4.921 0.924 ( 8.405 -3.237 0.522) 9.022 0.955 ( 6.788 -2.598 -0.484) 7.285 1.358 ( -1.043 -2.518 -1.397) 3.062 1.367 ( -1.123 -3.061 0.495) 3.298 1.821 ( -2.205 1.570 -0.348) 2.729 1.863 ( -0.833 2.777 0.786) 3.004 1.923 ( 3.611 -0.724 -0.398) 3.704 1.961 ( 1.862 -2.011 -1.000) 2.917 2.165 ( -1.920 2.632 1.303) 3.509 2.201 ( -2.745 3.298 -0.984) 4.402 2.452 ( -1.685 -2.325 0.773) 2.974 2.466 ( -2.421 -1.409 -0.121) 2.803 2.613 ( 2.413 -3.700 0.376) 4.434 2.628 ( 2.090 -3.136 -1.708) 4.138 3.189 ( -3.403 -0.768 2.417) 4.244 3.268 ( -3.857 0.261 -2.454) 4.579 ======================= Grid point 637 (203/231) ======================= q-point: (-0.31 -0.31 -0.77) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 0.000 -4.143 0.896) 4.239 0.757 ( 0.000 -2.960 -0.715) 3.045 0.816 ( 0.000 -2.329 0.899) 2.497 0.868 ( -0.000 -1.693 -0.837) 1.889 1.334 ( 0.000 -3.041 0.115) 3.043 1.347 ( -0.000 -1.551 -1.461) 2.131 1.861 ( 0.000 -0.880 1.184) 1.476 1.888 ( -0.000 2.774 -0.524) 2.823 1.901 ( -0.000 2.332 0.044) 2.332 1.936 ( -0.000 -0.368 -1.602) 1.643 2.203 ( 0.000 1.114 1.243) 1.669 2.249 ( -0.000 1.773 -0.926) 2.001 2.411 ( 0.000 -4.236 0.766) 4.304 2.448 ( 0.000 -3.193 -0.428) 3.222 2.596 ( -0.000 0.373 -0.174) 0.411 2.612 ( -0.000 0.731 -1.082) 1.305 3.214 ( 0.000 -0.947 2.057) 2.264 3.300 ( -0.000 0.367 -2.181) 2.211 ======================= Grid point 736 (204/231) ======================= q-point: ( 0.31 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.186 ( 0.000 -0.000 7.657) 7.657 0.186 ( 0.000 -0.000 7.657) 7.657 0.346 ( -0.000 0.000 -3.692) 3.692 0.346 ( -0.000 0.000 -3.692) 3.692 0.423 ( 0.000 -0.000 15.625) 15.625 0.638 ( -0.000 0.000 -1.147) 1.147 1.920 ( 0.000 -0.000 1.023) 1.023 1.920 ( 0.000 -0.000 1.023) 1.023 1.963 ( -0.000 0.000 -1.270) 1.270 1.963 ( -0.000 0.000 -1.270) 1.270 2.264 ( 0.000 -0.000 1.143) 1.143 2.264 ( 0.000 -0.000 1.143) 1.143 2.294 ( -0.000 0.000 -0.805) 0.805 2.294 ( -0.000 0.000 -0.805) 0.805 2.675 ( 0.000 -0.000 2.706) 2.706 2.738 ( -0.000 0.000 -1.955) 1.955 3.657 ( -0.000 0.000 -3.009) 3.009 3.760 ( -0.000 0.000 -1.567) 1.567 ======================= Grid point 737 (205/231) ======================= q-point: ( 0.38 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( 13.348 7.706 3.380) 15.779 0.485 ( 12.275 7.087 6.467) 15.579 0.485 ( 10.486 6.054 -2.552) 12.374 0.526 ( 10.321 5.959 8.418) 14.590 0.561 ( 14.053 8.114 -2.037) 16.354 0.677 ( 4.027 2.325 -1.506) 4.887 1.927 ( 0.226 0.131 1.026) 1.059 1.955 ( -0.150 -0.087 -1.276) 1.288 2.186 ( 8.136 4.698 3.889) 10.168 2.241 ( -2.157 -1.245 1.285) 2.803 2.250 ( -0.366 -0.211 -1.405) 1.467 2.268 ( -2.154 -1.244 -0.952) 2.663 2.319 ( 8.668 5.004 2.878) 10.414 2.573 ( 22.953 13.252 -21.233) 33.961 2.659 ( -1.391 -0.803 2.497) 2.969 2.714 ( 0.715 0.413 -4.077) 4.160 3.561 ( -6.666 -3.848 1.357) 7.815 3.683 ( -6.095 -3.519 -3.051) 7.671 ======================= Grid point 738 (206/231) ======================= q-point: ( 0.46 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 6.381 3.684 8.403) 11.176 0.706 ( 11.212 6.473 1.506) 13.034 0.725 ( 9.886 5.708 -1.262) 11.485 0.742 ( 4.852 2.801 -1.380) 5.770 0.902 ( 15.258 8.809 0.137) 17.619 0.916 ( 14.550 8.400 -0.263) 16.803 1.937 ( 0.661 0.382 0.675) 1.019 1.956 ( 0.552 0.319 -0.938) 1.134 2.169 ( -4.458 -2.574 2.136) 5.573 2.178 ( -3.407 -1.967 1.527) 4.220 2.198 ( -3.688 -2.129 -1.181) 4.420 2.208 ( -3.046 -1.759 -2.226) 4.163 2.527 ( -0.556 -0.321 4.558) 4.603 2.597 ( -4.183 -2.415 -2.333) 5.363 2.741 ( 9.857 5.691 6.564) 13.139 2.928 ( 7.939 4.584 -13.787) 16.557 3.403 ( -7.134 -4.119 2.870) 8.723 3.502 ( -8.489 -4.901 -4.126) 10.636 ======================= Grid point 739 (207/231) ======================= q-point: ( 0.54 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 4.847 2.798 5.165) 7.616 0.837 ( 3.551 2.050 -0.883) 4.195 0.895 ( 5.052 2.917 -0.557) 5.860 0.905 ( 5.605 3.236 0.669) 6.507 1.187 ( 10.164 5.868 0.898) 11.771 1.225 ( 11.534 6.659 -0.956) 13.353 1.964 ( 1.450 0.837 0.632) 1.789 1.977 ( 1.089 0.629 -0.815) 1.498 2.039 ( -7.171 -4.140 3.457) 8.973 2.096 ( -6.298 -3.636 -3.393) 8.025 2.103 ( -3.034 -1.752 -0.158) 3.507 2.115 ( -2.749 -1.587 0.434) 3.204 2.480 ( -2.165 -1.250 2.164) 3.307 2.504 ( -3.080 -1.778 -1.409) 3.826 2.888 ( 0.059 0.034 3.869) 3.869 2.983 ( -1.292 -0.746 -6.269) 6.444 3.271 ( -4.165 -2.405 5.180) 7.068 3.334 ( -4.381 -2.529 -5.452) 7.437 ======================= Grid point 740 (208/231) ======================= q-point: ( 0.62 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 0.332 0.192 0.641) 0.747 0.884 ( 0.261 0.151 1.617) 1.645 0.942 ( -0.584 -0.337 -0.469) 0.821 0.964 ( -0.261 -0.150 0.530) 0.609 1.358 ( 4.395 2.537 2.135) 5.506 1.412 ( 4.773 2.756 -1.946) 5.845 1.883 ( -6.152 -3.552 3.747) 8.031 1.936 ( -6.238 -3.601 -3.227) 7.893 1.958 ( -2.619 -1.512 -1.469) 3.362 1.977 ( -0.932 -0.538 1.691) 2.004 2.093 ( 2.429 1.403 -1.523) 3.192 2.110 ( 2.384 1.376 1.393) 3.085 2.465 ( 0.639 0.369 1.008) 1.250 2.470 ( 0.287 0.166 -0.648) 0.728 2.794 ( -6.928 -4.000 2.631) 8.421 2.842 ( -8.790 -5.075 -3.785) 10.833 3.257 ( 0.483 0.279 3.545) 3.589 3.275 ( -0.780 -0.450 -3.157) 3.283 ======================= Grid point 741 (209/231) ======================= q-point: ( 0.69 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -4.325 -2.497 -1.046) 5.103 0.843 ( -3.903 -2.253 1.744) 4.832 0.887 ( -3.469 -2.003 -0.711) 4.068 0.922 ( -2.835 -1.637 0.717) 3.352 1.385 ( -1.874 -1.082 2.802) 3.540 1.422 ( -2.964 -1.711 -2.022) 3.975 1.827 ( 0.956 0.552 2.676) 2.895 1.860 ( 0.424 0.245 -1.934) 1.995 1.896 ( -2.123 -1.226 -1.450) 2.849 1.951 ( -1.242 -0.717 1.864) 2.352 2.159 ( 2.944 1.700 -1.603) 3.759 2.188 ( 3.426 1.978 1.281) 4.158 2.487 ( -0.068 -0.039 -0.691) 0.695 2.495 ( 0.501 0.289 0.122) 0.591 2.643 ( -6.105 -3.525 -0.658) 7.080 2.644 ( -5.796 -3.346 1.623) 6.887 3.240 ( -0.955 -0.551 -3.444) 3.616 3.287 ( 0.471 0.272 3.529) 3.570 ======================= Grid point 750 (210/231) ======================= q-point: ( 0.38 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( -0.000 14.897 3.262) 15.250 0.486 ( -0.000 12.568 -2.668) 12.848 0.493 ( 0.000 15.880 4.942) 16.631 0.538 ( 0.000 11.332 5.609) 12.644 0.562 ( -0.000 14.815 1.658) 14.908 0.674 ( -0.000 4.691 -2.241) 5.198 1.918 ( 0.000 -0.205 1.038) 1.058 1.964 ( -0.000 0.283 -1.246) 1.278 2.179 ( 0.000 9.043 3.903) 9.849 2.242 ( 0.000 -2.671 1.269) 2.957 2.252 ( -0.000 -0.481 -1.229) 1.320 2.268 ( -0.000 -2.303 -0.979) 2.502 2.327 ( 0.000 10.949 3.481) 11.489 2.539 ( -0.000 27.603 -19.714) 33.920 2.663 ( 0.000 -1.693 2.315) 2.868 2.708 ( -0.000 -0.118 -3.300) 3.302 3.564 ( 0.000 -7.527 2.406) 7.902 3.677 ( -0.000 -6.993 -4.155) 8.134 ======================= Grid point 751 (211/231) ======================= q-point: ( 0.46 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 3.931 6.727 6.675) 10.259 0.641 ( 7.200 11.706 1.830) 13.864 0.682 ( 6.293 11.671 -0.233) 13.261 0.720 ( 3.322 6.480 -1.522) 7.439 0.794 ( 9.393 15.651 1.045) 18.283 0.819 ( 7.675 13.645 -1.275) 15.707 1.926 ( 0.594 -0.391 0.781) 1.056 1.948 ( -0.918 -0.281 -1.082) 1.447 2.160 ( -2.803 -4.761 0.944) 5.604 2.169 ( -2.273 -4.355 -0.134) 4.915 2.257 ( -0.873 -1.231 0.128) 1.514 2.267 ( -0.264 -0.514 -0.618) 0.846 2.523 ( 2.399 3.937 7.116) 8.479 2.614 ( -2.006 -3.431 -3.312) 5.174 2.692 ( 4.733 7.590 5.200) 10.347 2.847 ( 6.602 12.219 -14.841) 20.326 3.452 ( -4.246 -7.536 3.553) 9.351 3.544 ( -5.058 -8.473 -4.827) 10.985 ======================= Grid point 752 (212/231) ======================= q-point: ( 0.54 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 4.399 4.921 4.980) 8.268 0.803 ( 3.563 4.333 -1.074) 5.712 0.882 ( 4.475 9.784 0.057) 10.759 0.892 ( 4.591 9.887 0.042) 10.901 1.083 ( 9.454 8.892 0.359) 12.984 1.101 ( 10.881 9.258 -0.510) 14.295 1.926 ( 0.662 -1.777 -0.008) 1.896 1.939 ( 1.279 -1.982 -0.404) 2.393 2.062 ( -2.881 -5.774 1.078) 6.542 2.072 ( -2.728 -5.463 -0.266) 6.112 2.205 ( -4.649 0.593 0.420) 4.706 2.227 ( -4.132 0.604 -0.889) 4.269 2.495 ( -2.067 -3.593 2.668) 4.930 2.522 ( -2.901 -4.153 -1.864) 5.397 2.892 ( 3.759 5.900 5.900) 9.152 2.978 ( 2.069 3.859 -7.436) 8.629 3.311 ( -4.363 -6.121 2.942) 8.072 3.352 ( -5.486 -8.189 -4.309) 10.757 ======================= Grid point 753 (213/231) ======================= q-point: ( 0.62 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 1.678 2.608 1.153) 3.309 0.883 ( 1.685 2.650 0.920) 3.273 0.992 ( -1.105 6.538 0.049) 6.631 1.008 ( -0.664 6.394 0.021) 6.429 1.288 ( 6.968 3.304 1.817) 7.923 1.326 ( 7.911 3.408 -1.719) 8.784 1.897 ( -2.003 -5.665 1.009) 6.093 1.912 ( -0.420 -5.568 -0.909) 5.657 1.992 ( -0.574 -1.803 0.382) 1.930 2.001 ( 0.289 -1.330 -0.039) 1.362 2.128 ( -5.031 2.039 -0.433) 5.446 2.152 ( -4.898 1.603 0.211) 5.158 2.447 ( 0.182 -2.732 1.301) 3.032 2.454 ( -0.276 -2.880 -0.881) 3.024 2.892 ( -6.307 -0.819 3.417) 7.220 2.948 ( -7.251 -0.772 -4.670) 8.659 3.228 ( 0.870 -4.362 2.743) 5.226 3.243 ( 0.771 -4.333 -2.406) 5.016 ======================= Grid point 754 (214/231) ======================= q-point: ( 0.69 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -2.977 -0.031 -0.652) 3.047 0.892 ( -2.725 -0.163 1.458) 3.095 0.987 ( -5.457 4.852 -0.159) 7.304 1.007 ( -4.809 4.173 0.231) 6.371 1.378 ( 1.896 -1.377 2.678) 3.558 1.413 ( 1.631 -1.866 -2.255) 3.351 1.814 ( -0.962 -2.712 1.136) 3.093 1.847 ( -0.555 -2.425 -1.006) 2.683 1.959 ( -3.574 1.324 0.063) 3.812 1.996 ( -2.323 1.018 0.763) 2.649 2.114 ( 2.050 0.638 -1.596) 2.675 2.138 ( 2.423 0.079 1.245) 2.725 2.450 ( 2.486 -1.935 -0.570) 3.202 2.457 ( 2.632 -1.878 0.577) 3.284 2.746 ( -8.470 -1.751 2.457) 8.991 2.763 ( -10.176 -1.736 -2.233) 10.562 3.209 ( 1.375 -3.579 -3.975) 5.522 3.253 ( 2.673 -3.142 4.010) 5.753 ======================= Grid point 764 (215/231) ======================= q-point: ( 0.46 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 0.000 6.781 6.394) 9.320 0.701 ( -0.000 12.361 1.312) 12.430 0.732 ( -0.000 11.971 -1.350) 12.047 0.744 ( -0.000 5.884 -1.869) 6.174 0.899 ( -0.000 17.821 0.301) 17.823 0.917 ( -0.000 16.768 -0.496) 16.776 1.925 ( 0.000 0.685 1.133) 1.324 1.968 ( -0.000 0.758 -1.327) 1.528 2.170 ( 0.000 -4.770 2.241) 5.270 2.174 ( 0.000 -4.526 1.443) 4.751 2.203 ( -0.000 -3.703 -1.180) 3.886 2.206 ( -0.000 -3.834 -2.126) 4.384 2.542 ( 0.000 -1.650 4.377) 4.677 2.589 ( -0.000 -4.334 -2.685) 5.098 2.757 ( 0.000 11.673 7.376) 13.808 2.889 ( -0.000 10.404 -12.153) 15.998 3.412 ( 0.000 -8.888 4.177) 9.820 3.490 ( -0.000 -9.056 -5.452) 10.570 ======================= Grid point 765 (216/231) ======================= q-point: ( 0.54 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 2.272 5.830 4.016) 7.435 0.806 ( 1.664 5.773 -1.386) 6.166 0.882 ( 6.515 8.677 0.121) 10.851 0.894 ( 5.794 8.947 -0.305) 10.663 1.089 ( 3.097 13.520 -0.790) 13.892 1.094 ( 2.443 13.240 0.609) 13.478 1.924 ( -1.188 0.126 0.195) 1.210 1.939 ( -3.066 -0.373 -0.360) 3.110 2.064 ( -3.680 -5.287 1.063) 6.529 2.070 ( -2.997 -5.228 -0.218) 6.030 2.211 ( 2.488 -3.517 -0.271) 4.317 2.223 ( 2.741 -3.364 -0.423) 4.360 2.499 ( -2.045 -3.854 2.454) 5.006 2.521 ( -2.252 -4.307 -1.975) 5.246 2.902 ( 3.544 6.549 6.379) 9.805 2.964 ( 2.226 3.412 -7.123) 8.206 3.306 ( -3.028 -8.245 3.095) 9.313 3.357 ( -4.595 -7.264 -4.469) 9.688 ======================= Grid point 766 (217/231) ======================= q-point: ( 0.62 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 2.358 3.692 1.480) 4.623 0.885 ( 1.901 3.808 -0.357) 4.271 1.056 ( 3.765 6.801 0.167) 7.775 1.065 ( 4.039 6.743 -0.174) 7.862 1.236 ( 2.799 6.166 1.348) 6.905 1.246 ( 4.041 5.747 -1.384) 7.161 1.879 ( -1.472 -3.089 0.668) 3.486 1.885 ( -1.749 -2.433 -1.105) 3.194 1.981 ( -1.350 -2.851 1.181) 3.368 1.988 ( -1.581 -2.356 -0.527) 2.886 2.199 ( -0.954 -1.496 -0.132) 1.779 2.215 ( -0.882 -1.574 -0.128) 1.809 2.427 ( -1.911 -3.604 1.395) 4.312 2.436 ( -2.281 -3.606 -1.175) 4.425 2.973 ( -1.423 -0.111 0.085) 1.429 3.005 ( 1.230 -0.503 0.431) 1.397 3.177 ( -2.646 -6.962 -0.658) 7.477 3.206 ( -4.134 -4.486 -0.520) 6.123 ======================= Grid point 767 (218/231) ======================= q-point: ( 0.69 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -0.780 1.268 -0.169) 1.498 0.926 ( -0.398 0.952 0.479) 1.138 1.127 ( -2.731 6.282 0.669) 6.883 1.133 ( -2.970 6.068 -0.556) 6.779 1.320 ( 3.384 -0.547 2.311) 4.134 1.337 ( 4.109 -1.057 -2.189) 4.774 1.820 ( -2.209 -2.057 -0.860) 3.138 1.835 ( -0.814 -2.256 0.885) 2.557 1.975 ( 1.719 0.532 -0.056) 1.801 1.987 ( 2.516 0.092 0.220) 2.528 2.146 ( -3.976 -0.202 -0.425) 4.003 2.163 ( -3.605 -0.678 0.424) 3.692 2.384 ( 1.092 -3.460 -0.435) 3.654 2.390 ( 1.308 -3.520 0.497) 3.788 2.881 ( -7.395 -1.571 2.467) 7.952 2.914 ( -8.458 -1.589 -2.481) 8.957 3.123 ( 1.931 -4.507 -3.355) 5.941 3.161 ( 3.080 -5.115 3.392) 6.867 ======================= Grid point 778 (219/231) ======================= q-point: ( 0.54 0.54 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 0.000 4.705 2.798) 5.475 0.845 ( -0.000 4.750 -1.892) 5.113 0.889 ( -0.000 6.057 0.451) 6.074 0.913 ( -0.000 6.218 -0.591) 6.246 1.199 ( -0.000 12.537 -1.360) 12.611 1.213 ( -0.000 12.623 1.164) 12.677 1.956 ( 0.000 1.859 1.163) 2.193 1.985 ( -0.000 1.145 -1.415) 1.820 2.054 ( 0.000 -7.818 3.272) 8.475 2.081 ( -0.000 -7.610 -3.222) 8.264 2.090 ( 0.000 -3.767 1.470) 4.044 2.127 ( -0.000 -2.969 -1.191) 3.199 2.487 ( 0.000 -3.026 1.690) 3.465 2.502 ( -0.000 -3.066 -1.658) 3.486 2.917 ( 0.000 0.053 5.541) 5.541 2.943 ( -0.000 -1.388 -6.097) 6.253 3.271 ( 0.000 -5.774 5.336) 7.862 3.335 ( -0.000 -3.723 -5.771) 6.868 ======================= Grid point 779 (220/231) ======================= q-point: ( 0.62 0.54 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 1.591 2.523 1.223) 3.224 0.891 ( 1.179 2.943 -1.275) 3.417 0.993 ( 6.468 2.329 -0.142) 6.876 1.008 ( 5.592 2.595 0.029) 6.165 1.298 ( -0.569 7.995 -2.005) 8.262 1.316 ( -1.072 8.306 1.802) 8.566 1.898 ( -4.330 -4.579 0.670) 6.338 1.911 ( -4.317 -3.029 -0.887) 5.348 1.986 ( -0.954 -1.546 1.747) 2.520 2.007 ( -1.531 -0.167 -1.342) 2.043 2.127 ( 4.479 -3.853 0.044) 5.908 2.154 ( 3.663 -3.043 -0.329) 4.774 2.446 ( -2.379 -1.532 1.071) 3.026 2.455 ( -2.470 -1.380 -1.182) 3.067 2.913 ( 2.263 -6.363 -2.976) 7.380 2.924 ( 3.134 -6.003 2.615) 7.259 3.208 ( -3.950 -2.158 5.274) 6.933 3.264 ( -4.380 -0.800 -5.205) 6.850 ======================= Grid point 792 (221/231) ======================= q-point: (-0.38 -0.38 -0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 0.000 0.021 0.962) 0.962 0.895 ( -0.000 0.431 -1.780) 1.831 0.940 ( 0.000 -0.709 0.324) 0.780 0.966 ( -0.000 -0.282 -0.412) 0.500 1.370 ( -0.000 5.327 -2.357) 5.825 1.401 ( 0.000 5.344 2.037) 5.719 1.900 ( 0.000 -7.194 -1.592) 7.368 1.920 ( 0.000 -6.981 1.290) 7.099 1.950 ( 0.000 -3.096 1.268) 3.345 1.987 ( -0.000 -0.889 -1.735) 1.949 2.084 ( 0.000 2.659 1.617) 3.112 2.117 ( -0.000 2.789 -1.196) 3.035 2.465 ( 0.000 0.389 0.788) 0.879 2.472 ( -0.000 0.570 -0.984) 1.137 2.811 ( 0.000 -8.597 -2.156) 8.863 2.822 ( 0.000 -9.208 1.927) 9.407 3.241 ( 0.000 -0.803 5.211) 5.272 3.291 ( -0.000 0.388 -5.108) 5.122 ======================= Grid point 920 (222/231) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.227 ( 0.000 -0.000 7.003) 7.003 0.227 ( 0.000 -0.000 7.003) 7.003 0.323 ( -0.000 0.000 -4.583) 4.583 0.323 ( -0.000 0.000 -4.583) 4.583 0.500 ( 0.000 -0.000 12.514) 12.514 0.626 ( -0.000 0.000 -3.170) 3.170 1.926 ( 0.000 -0.000 1.065) 1.065 1.926 ( 0.000 -0.000 1.065) 1.065 1.956 ( -0.000 0.000 -1.238) 1.238 1.956 ( -0.000 0.000 -1.238) 1.238 2.271 ( 0.000 -0.000 1.208) 1.208 2.271 ( 0.000 -0.000 1.208) 1.208 2.289 ( -0.000 0.000 -0.971) 0.971 2.289 ( -0.000 0.000 -0.971) 0.971 2.690 ( 0.000 -0.000 2.421) 2.421 2.726 ( -0.000 0.000 -2.217) 2.217 3.654 ( 0.000 -0.000 1.905) 1.905 3.742 ( -0.000 0.000 -4.859) 4.859 ======================= Grid point 921 (223/231) ======================= q-point: ( 0.46 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( 12.627 7.290 3.479) 14.990 0.470 ( 10.957 6.326 -2.907) 12.981 0.509 ( 15.413 8.899 3.242) 18.091 0.547 ( 14.410 8.320 -2.344) 16.804 0.579 ( 5.793 3.344 9.173) 11.353 0.664 ( 4.232 2.443 -3.469) 5.993 1.931 ( 0.118 0.068 0.365) 0.390 1.950 ( -0.050 -0.029 -0.525) 0.528 2.208 ( 5.931 3.425 3.856) 7.860 2.239 ( 0.601 0.347 -2.308) 2.410 2.248 ( -2.109 -1.218 1.316) 2.768 2.262 ( -2.194 -1.267 -1.108) 2.765 2.341 ( 13.219 7.632 5.397) 16.190 2.470 ( 23.003 13.281 -15.861) 30.937 2.672 ( -1.432 -0.827 2.026) 2.615 2.697 ( -1.267 -0.731 -2.376) 2.790 3.577 ( -6.259 -3.613 4.578) 8.555 3.658 ( -6.147 -3.549 -5.908) 9.235 ======================= Grid point 922 (224/231) ======================= q-point: ( 0.54 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 5.760 3.325 6.368) 9.208 0.713 ( 10.641 6.144 0.502) 12.298 0.719 ( 10.416 6.014 -0.283) 12.031 0.731 ( 5.030 2.904 -2.671) 6.393 0.902 ( 14.809 8.550 -0.144) 17.101 0.915 ( 15.032 8.679 -0.055) 17.358 1.937 ( 0.624 0.360 -0.723) 1.021 1.955 ( 0.588 0.340 0.596) 0.904 2.181 ( -4.122 -2.380 2.168) 5.230 2.186 ( -3.559 -2.055 0.728) 4.173 2.192 ( -3.532 -2.039 -0.565) 4.117 2.196 ( -3.400 -1.963 -2.264) 4.532 2.551 ( -1.930 -1.114 4.222) 4.774 2.583 ( -3.680 -2.124 -2.906) 5.148 2.780 ( 10.333 5.966 7.833) 14.274 2.858 ( 9.641 5.566 -11.399) 15.933 3.425 ( -7.287 -4.207 5.082) 9.830 3.474 ( -8.358 -4.825 -5.883) 11.302 ======================= Grid point 923 (225/231) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 3.952 2.281 0.983) 4.668 0.834 ( 4.189 2.419 0.873) 4.916 0.892 ( 5.123 2.958 -0.540) 5.940 0.909 ( 5.516 3.185 0.682) 6.406 1.193 ( 10.509 6.067 1.131) 12.187 1.220 ( 11.235 6.487 -1.092) 13.019 1.963 ( 1.591 0.918 -0.941) 2.063 1.978 ( 0.979 0.565 0.968) 1.488 2.058 ( -6.973 -4.026 2.989) 8.588 2.078 ( -6.425 -3.709 -2.957) 7.987 2.098 ( -3.284 -1.896 -1.282) 4.003 2.120 ( -2.523 -1.457 1.292) 3.187 2.491 ( -2.458 -1.419 1.777) 3.348 2.497 ( -2.842 -1.641 -1.342) 3.545 2.912 ( -0.649 -0.375 5.030) 5.086 2.949 ( -0.620 -0.358 -5.973) 6.016 3.300 ( -4.436 -2.561 0.683) 5.168 3.305 ( -3.700 -2.136 -0.693) 4.328 ======================= Grid point 934 (226/231) ======================= q-point: ( 0.46 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( -0.000 14.048 3.294) 14.429 0.470 ( -0.000 13.156 -3.073) 13.510 0.514 ( -0.000 17.534 3.256) 17.833 0.540 ( -0.000 16.603 -2.000) 16.723 0.599 ( 0.000 6.904 8.023) 10.585 0.656 ( -0.000 4.847 -4.425) 6.563 1.924 ( 0.000 -0.205 1.150) 1.168 1.957 ( -0.000 0.278 -1.244) 1.274 2.201 ( 0.000 6.578 4.055) 7.728 2.243 ( -0.000 0.701 -2.091) 2.205 2.249 ( 0.000 -2.632 1.284) 2.929 2.262 ( -0.000 -2.334 -1.145) 2.599 2.353 ( 0.000 16.167 6.170) 17.304 2.445 ( -0.000 26.235 -14.288) 29.874 2.675 ( 0.000 -1.781 1.867) 2.581 2.694 ( -0.000 -1.475 -2.163) 2.618 3.586 ( 0.000 -7.194 5.467) 9.035 3.647 ( -0.000 -7.039 -6.492) 9.576 ======================= Grid point 935 (227/231) ======================= q-point: ( 0.54 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 6.380 10.765 1.136) 12.565 0.654 ( 5.535 9.554 1.163) 11.103 0.689 ( 5.196 8.812 3.043) 10.672 0.708 ( 3.527 6.889 -2.917) 8.271 0.800 ( 8.926 15.067 0.783) 17.530 0.813 ( 8.104 14.290 -0.919) 16.453 1.930 ( 0.268 -0.386 0.496) 0.684 1.943 ( -0.638 -0.295 -0.600) 0.924 2.164 ( -2.754 -4.582 0.674) 5.388 2.168 ( -2.440 -4.533 -0.382) 5.162 2.258 ( -0.715 -1.109 0.105) 1.324 2.264 ( -0.373 -0.693 -0.279) 0.835 2.561 ( 0.652 0.977 6.457) 6.563 2.592 ( -1.111 -1.840 -4.754) 5.218 2.726 ( 6.289 10.188 7.277) 14.010 2.776 ( 6.705 12.390 -10.935) 17.834 3.478 ( -4.425 -7.908 5.751) 10.732 3.512 ( -4.877 -8.166 -6.308) 11.413 ======================= Grid point 936 (228/231) ======================= q-point: ( 0.62 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 3.813 4.382 0.304) 5.817 0.796 ( 4.050 4.654 0.376) 6.181 0.883 ( 4.343 9.868 -0.022) 10.781 0.892 ( 4.759 9.762 0.209) 10.862 1.085 ( 9.804 9.179 0.563) 13.442 1.098 ( 10.575 8.986 -0.572) 13.889 1.925 ( 0.737 -1.463 -0.138) 1.644 1.938 ( 1.208 -2.383 0.006) 2.672 2.066 ( -2.900 -5.433 0.487) 6.178 2.070 ( -2.715 -5.696 -0.516) 6.331 2.208 ( -4.608 0.480 0.553) 4.666 2.223 ( -4.135 0.701 -0.420) 4.215 2.508 ( -2.417 -3.913 1.575) 4.862 2.512 ( -2.594 -3.913 -1.376) 4.892 2.924 ( 2.826 4.772 4.755) 7.306 2.941 ( 3.116 5.454 -5.124) 8.106 3.325 ( -5.094 -7.568 -2.610) 9.489 3.334 ( -4.583 -6.868 2.536) 8.637 ======================= Grid point 948 (229/231) ======================= q-point: ( 0.54 0.54 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -0.000 12.013 1.282) 12.081 0.712 ( 0.000 6.162 4.430) 7.589 0.725 ( -0.000 12.292 -1.427) 12.374 0.728 ( -0.000 6.166 -4.020) 7.361 0.901 ( -0.000 17.270 0.326) 17.273 0.915 ( -0.000 17.273 -0.275) 17.275 1.931 ( 0.000 0.688 1.215) 1.396 1.961 ( -0.000 0.726 -1.249) 1.444 2.182 ( 0.000 -4.483 1.340) 4.679 2.182 ( 0.000 -4.408 2.220) 4.935 2.194 ( -0.000 -4.256 -2.092) 4.742 2.196 ( -0.000 -3.717 -1.288) 3.934 2.564 ( 0.000 -3.192 3.493) 4.732 2.573 ( -0.000 -3.533 -3.252) 4.802 2.802 ( 0.000 11.947 8.992) 14.953 2.829 ( -0.000 11.727 -9.651) 15.187 3.440 ( 0.000 -9.305 5.832) 10.981 3.457 ( -0.000 -8.731 -6.150) 10.679 ======================= Grid point 1105 (230/231) ======================= q-point: ( 0.46 0.46 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.263 ( 0.000 -0.000 6.193) 6.193 0.263 ( 0.000 -0.000 6.193) 6.193 0.296 ( -0.000 0.000 -5.379) 5.379 0.296 ( -0.000 0.000 -5.379) 5.379 0.560 ( 0.000 -0.000 9.209) 9.209 0.602 ( -0.000 0.000 -5.998) 5.998 1.931 ( 0.000 -0.000 0.611) 0.611 1.931 ( 0.000 -0.000 0.611) 0.611 1.950 ( -0.000 0.000 -0.672) 0.672 1.950 ( -0.000 0.000 -0.672) 0.672 2.277 ( 0.000 -0.000 1.173) 1.173 2.277 ( 0.000 -0.000 1.173) 1.173 2.284 ( -0.000 0.000 -1.088) 1.088 2.284 ( -0.000 0.000 -1.088) 1.088 2.702 ( 0.000 -0.000 2.005) 2.005 2.714 ( -0.000 0.000 -2.012) 2.012 3.675 ( 0.000 -0.000 5.449) 5.449 3.710 ( -0.000 0.000 -6.434) 6.434 ======================= Grid point 1106 (231/231) ======================= q-point: ( 0.54 0.46 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 11.765 6.793 0.778) 13.607 0.456 ( 11.722 6.768 -0.582) 13.548 0.524 ( 14.862 8.581 1.862) 17.262 0.533 ( 15.417 8.901 -2.045) 17.919 0.624 ( 4.293 2.478 6.359) 8.063 0.639 ( 4.961 2.864 -5.252) 7.772 1.930 ( -0.104 -0.060 -0.858) 0.867 1.951 ( 0.168 0.097 0.821) 0.844 2.221 ( 3.174 1.832 -2.062) 4.205 2.230 ( 2.565 1.481 1.799) 3.466 2.255 ( -2.173 -1.255 0.627) 2.587 2.256 ( -2.126 -1.227 -0.589) 2.524 2.380 ( 18.458 10.657 8.897) 23.096 2.399 ( 19.229 11.102 -9.989) 24.348 2.681 ( -1.516 -0.875 0.939) 1.987 2.687 ( -1.497 -0.864 -0.973) 1.983 3.609 ( -6.096 -3.520 6.391) 9.507 3.622 ( -6.186 -3.571 -6.585) 9.715 =================== 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 3/39546 10.0 130.775 130.775 22.760 -0.000 -0.000 -0.000 3/39546 20.0 29.032 29.032 5.404 -0.000 -0.000 -0.000 3/39546 30.0 13.351 13.351 2.683 -0.000 -0.000 -0.000 3/39546 40.0 8.499 8.499 1.799 -0.000 -0.000 -0.000 3/39546 50.0 6.268 6.268 1.375 -0.000 -0.000 -0.000 3/39546 60.0 4.993 4.993 1.122 -0.000 -0.000 -0.000 3/39546 70.0 4.165 4.165 0.952 -0.000 -0.000 -0.000 3/39546 80.0 3.581 3.581 0.829 -0.000 -0.000 -0.000 3/39546 90.0 3.145 3.145 0.735 -0.000 -0.000 -0.000 3/39546 100.0 2.807 2.807 0.660 -0.000 -0.000 -0.000 3/39546 110.0 2.536 2.536 0.599 -0.000 -0.000 -0.000 3/39546 120.0 2.313 2.313 0.549 -0.000 -0.000 -0.000 3/39546 130.0 2.127 2.127 0.507 -0.000 -0.000 -0.000 3/39546 140.0 1.970 1.970 0.470 -0.000 -0.000 -0.000 3/39546 150.0 1.834 1.834 0.439 -0.000 -0.000 -0.000 3/39546 160.0 1.716 1.716 0.411 -0.000 -0.000 -0.000 3/39546 170.0 1.613 1.613 0.387 -0.000 -0.000 -0.000 3/39546 180.0 1.521 1.521 0.366 -0.000 -0.000 -0.000 3/39546 190.0 1.439 1.439 0.346 -0.000 -0.000 -0.000 3/39546 200.0 1.366 1.366 0.329 -0.000 -0.000 -0.000 3/39546 210.0 1.300 1.300 0.313 -0.000 -0.000 -0.000 3/39546 220.0 1.240 1.240 0.299 -0.000 -0.000 -0.000 3/39546 230.0 1.185 1.185 0.286 -0.000 -0.000 -0.000 3/39546 240.0 1.135 1.135 0.274 -0.000 -0.000 -0.000 3/39546 250.0 1.090 1.090 0.263 -0.000 -0.000 -0.000 3/39546 260.0 1.047 1.047 0.253 -0.000 -0.000 -0.000 3/39546 270.0 1.008 1.008 0.244 -0.000 -0.000 -0.000 3/39546 280.0 0.972 0.972 0.235 -0.000 -0.000 -0.000 3/39546 290.0 0.938 0.938 0.227 -0.000 -0.000 -0.000 3/39546 300.0 0.906 0.906 0.219 -0.000 -0.000 -0.000 3/39546 310.0 0.877 0.877 0.212 -0.000 -0.000 -0.000 3/39546 320.0 0.849 0.849 0.206 -0.000 -0.000 -0.000 3/39546 330.0 0.823 0.823 0.199 -0.000 -0.000 -0.000 3/39546 340.0 0.799 0.799 0.193 -0.000 -0.000 -0.000 3/39546 350.0 0.776 0.776 0.188 -0.000 -0.000 -0.000 3/39546 360.0 0.754 0.754 0.183 -0.000 -0.000 -0.000 3/39546 370.0 0.734 0.734 0.178 -0.000 -0.000 -0.000 3/39546 380.0 0.715 0.715 0.173 -0.000 -0.000 -0.000 3/39546 390.0 0.696 0.696 0.169 -0.000 -0.000 -0.000 3/39546 400.0 0.679 0.679 0.164 -0.000 -0.000 -0.000 3/39546 410.0 0.662 0.662 0.160 -0.000 -0.000 -0.000 3/39546 420.0 0.646 0.646 0.157 -0.000 -0.000 -0.000 3/39546 430.0 0.631 0.631 0.153 -0.000 -0.000 -0.000 3/39546 440.0 0.617 0.617 0.149 -0.000 -0.000 -0.000 3/39546 450.0 0.603 0.603 0.146 -0.000 -0.000 -0.000 3/39546 460.0 0.590 0.590 0.143 -0.000 -0.000 -0.000 3/39546 470.0 0.577 0.577 0.140 -0.000 -0.000 -0.000 3/39546 480.0 0.565 0.565 0.137 -0.000 -0.000 -0.000 3/39546 490.0 0.554 0.554 0.134 -0.000 -0.000 -0.000 3/39546 500.0 0.542 0.542 0.132 -0.000 -0.000 -0.000 3/39546 510.0 0.532 0.532 0.129 -0.000 -0.000 -0.000 3/39546 520.0 0.522 0.522 0.126 -0.000 -0.000 -0.000 3/39546 530.0 0.512 0.512 0.124 -0.000 -0.000 -0.000 3/39546 540.0 0.502 0.502 0.122 -0.000 -0.000 -0.000 3/39546 550.0 0.493 0.493 0.120 -0.000 -0.000 -0.000 3/39546 560.0 0.484 0.484 0.117 -0.000 -0.000 -0.000 3/39546 570.0 0.476 0.476 0.115 -0.000 -0.000 -0.000 3/39546 580.0 0.468 0.468 0.113 -0.000 -0.000 -0.000 3/39546 590.0 0.460 0.460 0.111 -0.000 -0.000 -0.000 3/39546 600.0 0.452 0.452 0.110 -0.000 -0.000 -0.000 3/39546 610.0 0.444 0.444 0.108 -0.000 -0.000 -0.000 3/39546 620.0 0.437 0.437 0.106 -0.000 -0.000 -0.000 3/39546 630.0 0.430 0.430 0.104 -0.000 -0.000 -0.000 3/39546 640.0 0.424 0.424 0.103 -0.000 -0.000 -0.000 3/39546 650.0 0.417 0.417 0.101 -0.000 -0.000 -0.000 3/39546 660.0 0.411 0.411 0.100 -0.000 -0.000 -0.000 3/39546 670.0 0.405 0.405 0.098 -0.000 -0.000 -0.000 3/39546 680.0 0.399 0.399 0.097 -0.000 -0.000 -0.000 3/39546 690.0 0.393 0.393 0.095 -0.000 -0.000 -0.000 3/39546 700.0 0.387 0.387 0.094 -0.000 -0.000 -0.000 3/39546 710.0 0.382 0.382 0.093 -0.000 -0.000 -0.000 3/39546 720.0 0.376 0.376 0.091 -0.000 -0.000 -0.000 3/39546 730.0 0.371 0.371 0.090 -0.000 -0.000 -0.000 3/39546 740.0 0.366 0.366 0.089 -0.000 -0.000 -0.000 3/39546 750.0 0.361 0.361 0.088 -0.000 -0.000 -0.000 3/39546 760.0 0.357 0.357 0.087 -0.000 -0.000 -0.000 3/39546 770.0 0.352 0.352 0.085 -0.000 -0.000 -0.000 3/39546 780.0 0.347 0.347 0.084 -0.000 -0.000 -0.000 3/39546 790.0 0.343 0.343 0.083 -0.000 -0.000 -0.000 3/39546 800.0 0.339 0.339 0.082 -0.000 -0.000 -0.000 3/39546 810.0 0.335 0.335 0.081 -0.000 -0.000 -0.000 3/39546 820.0 0.331 0.331 0.080 -0.000 -0.000 -0.000 3/39546 830.0 0.327 0.327 0.079 -0.000 -0.000 -0.000 3/39546 840.0 0.323 0.323 0.078 -0.000 -0.000 -0.000 3/39546 850.0 0.319 0.319 0.077 -0.000 -0.000 -0.000 3/39546 860.0 0.315 0.315 0.076 -0.000 -0.000 -0.000 3/39546 870.0 0.311 0.311 0.076 -0.000 -0.000 -0.000 3/39546 880.0 0.308 0.308 0.075 -0.000 -0.000 -0.000 3/39546 890.0 0.304 0.304 0.074 -0.000 -0.000 -0.000 3/39546 900.0 0.301 0.301 0.073 -0.000 -0.000 -0.000 3/39546 910.0 0.298 0.298 0.072 -0.000 -0.000 -0.000 3/39546 920.0 0.295 0.295 0.071 -0.000 -0.000 -0.000 3/39546 930.0 0.291 0.291 0.071 -0.000 -0.000 -0.000 3/39546 940.0 0.288 0.288 0.070 -0.000 -0.000 -0.000 3/39546 950.0 0.285 0.285 0.069 -0.000 -0.000 -0.000 3/39546 960.0 0.282 0.282 0.069 -0.000 -0.000 -0.000 3/39546 970.0 0.279 0.279 0.068 -0.000 -0.000 -0.000 3/39546 980.0 0.277 0.277 0.067 -0.000 -0.000 -0.000 3/39546 990.0 0.274 0.274 0.066 -0.000 -0.000 -0.000 3/39546 1000.0 0.271 0.271 0.066 -0.000 -0.000 -0.000 3/39546 Thermal conductivity related properties were written into "kappa-m131313.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:02:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|