----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:48:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.459321550000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.549667530000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.149955129999999 Atomic positions (fractional): *1 O 0.36383109906089 0.25873989842687 0.00000000000000 15.999 2 O 0.63616890093911 0.74126010157313 0.00000000000000 15.999 3 O 0.13616890093911 0.75873989842687 0.50000000000000 15.999 4 O 0.86383109906089 0.24126010157313 0.50000000000000 15.999 *5 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 6 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.459321550000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.549667530000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.149955129999999 Atomic positions (fractional): *1 O 0.36383109906089 0.25873989842687 0.00000000000000 15.999 > 1 2 O 0.63616890093911 0.74126010157313 0.00000000000000 15.999 > 2 3 O 0.13616890093911 0.75873989842687 0.50000000000000 15.999 > 3 4 O 0.86383109906089 0.24126010157313 0.50000000000000 15.999 > 4 *5 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 5 6 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.377964650000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.099335060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.449865389999998 Atomic positions (fractional): *1 O 0.12127703302030 0.12936994921343 0.00000000000000 15.999 > 1 2 O 0.45461036635363 0.12936994921343 0.00000000000000 15.999 > 1 3 O 0.78794369968696 0.12936994921343 0.00000000000000 15.999 > 1 4 O 0.12127703302030 0.62936994921343 0.00000000000000 15.999 > 1 5 O 0.45461036635363 0.62936994921343 0.00000000000000 15.999 > 1 6 O 0.78794369968696 0.62936994921343 0.00000000000000 15.999 > 1 7 O 0.12127703302030 0.12936994921343 0.33333333333333 15.999 > 1 8 O 0.45461036635363 0.12936994921343 0.33333333333333 15.999 > 1 9 O 0.78794369968696 0.12936994921343 0.33333333333333 15.999 > 1 10 O 0.12127703302030 0.62936994921343 0.33333333333333 15.999 > 1 11 O 0.45461036635363 0.62936994921343 0.33333333333333 15.999 > 1 12 O 0.78794369968696 0.62936994921343 0.33333333333333 15.999 > 1 13 O 0.12127703302030 0.12936994921343 0.66666666666667 15.999 > 1 14 O 0.45461036635363 0.12936994921343 0.66666666666667 15.999 > 1 15 O 0.78794369968696 0.12936994921343 0.66666666666667 15.999 > 1 16 O 0.12127703302030 0.62936994921343 0.66666666666667 15.999 > 1 17 O 0.45461036635363 0.62936994921343 0.66666666666667 15.999 > 1 18 O 0.78794369968696 0.62936994921343 0.66666666666667 15.999 > 1 19 O 0.21205630031304 0.37063005078657 0.00000000000000 15.999 > 2 20 O 0.54538963364637 0.37063005078657 0.00000000000000 15.999 > 2 21 O 0.87872296697970 0.37063005078657 0.00000000000000 15.999 > 2 22 O 0.21205630031304 0.87063005078657 0.00000000000000 15.999 > 2 23 O 0.54538963364637 0.87063005078657 0.00000000000000 15.999 > 2 24 O 0.87872296697970 0.87063005078657 0.00000000000000 15.999 > 2 25 O 0.21205630031304 0.37063005078657 0.33333333333333 15.999 > 2 26 O 0.54538963364637 0.37063005078657 0.33333333333333 15.999 > 2 27 O 0.87872296697970 0.37063005078657 0.33333333333333 15.999 > 2 28 O 0.21205630031304 0.87063005078657 0.33333333333333 15.999 > 2 29 O 0.54538963364637 0.87063005078657 0.33333333333333 15.999 > 2 30 O 0.87872296697970 0.87063005078657 0.33333333333333 15.999 > 2 31 O 0.21205630031304 0.37063005078657 0.66666666666667 15.999 > 2 32 O 0.54538963364637 0.37063005078657 0.66666666666667 15.999 > 2 33 O 0.87872296697970 0.37063005078657 0.66666666666667 15.999 > 2 34 O 0.21205630031304 0.87063005078657 0.66666666666667 15.999 > 2 35 O 0.54538963364637 0.87063005078657 0.66666666666667 15.999 > 2 36 O 0.87872296697970 0.87063005078657 0.66666666666667 15.999 > 2 37 O 0.04538963364637 0.37936994921343 0.16666666666667 15.999 > 3 38 O 0.37872296697970 0.37936994921343 0.16666666666667 15.999 > 3 39 O 0.71205630031304 0.37936994921343 0.16666666666667 15.999 > 3 40 O 0.04538963364637 0.87936994921343 0.16666666666667 15.999 > 3 41 O 0.37872296697970 0.87936994921343 0.16666666666667 15.999 > 3 42 O 0.71205630031304 0.87936994921343 0.16666666666667 15.999 > 3 43 O 0.04538963364637 0.37936994921343 0.50000000000000 15.999 > 3 44 O 0.37872296697970 0.37936994921343 0.50000000000000 15.999 > 3 45 O 0.71205630031304 0.37936994921343 0.50000000000000 15.999 > 3 46 O 0.04538963364637 0.87936994921343 0.50000000000000 15.999 > 3 47 O 0.37872296697970 0.87936994921343 0.50000000000000 15.999 > 3 48 O 0.71205630031304 0.87936994921343 0.50000000000000 15.999 > 3 49 O 0.04538963364637 0.37936994921343 0.83333333333333 15.999 > 3 50 O 0.37872296697970 0.37936994921343 0.83333333333333 15.999 > 3 51 O 0.71205630031304 0.37936994921343 0.83333333333333 15.999 > 3 52 O 0.04538963364637 0.87936994921343 0.83333333333333 15.999 > 3 53 O 0.37872296697970 0.87936994921343 0.83333333333333 15.999 > 3 54 O 0.71205630031304 0.87936994921343 0.83333333333333 15.999 > 3 55 O 0.28794369968696 0.12063005078657 0.16666666666667 15.999 > 4 56 O 0.62127703302030 0.12063005078657 0.16666666666667 15.999 > 4 57 O 0.95461036635363 0.12063005078657 0.16666666666667 15.999 > 4 58 O 0.28794369968696 0.62063005078657 0.16666666666667 15.999 > 4 59 O 0.62127703302030 0.62063005078657 0.16666666666667 15.999 > 4 60 O 0.95461036635363 0.62063005078657 0.16666666666667 15.999 > 4 61 O 0.28794369968696 0.12063005078657 0.50000000000000 15.999 > 4 62 O 0.62127703302030 0.12063005078657 0.50000000000000 15.999 > 4 63 O 0.95461036635363 0.12063005078657 0.50000000000000 15.999 > 4 64 O 0.28794369968696 0.62063005078657 0.50000000000000 15.999 > 4 65 O 0.62127703302030 0.62063005078657 0.50000000000000 15.999 > 4 66 O 0.95461036635363 0.62063005078657 0.50000000000000 15.999 > 4 67 O 0.28794369968696 0.12063005078657 0.83333333333333 15.999 > 4 68 O 0.62127703302030 0.12063005078657 0.83333333333333 15.999 > 4 69 O 0.95461036635363 0.12063005078657 0.83333333333333 15.999 > 4 70 O 0.28794369968696 0.62063005078657 0.83333333333333 15.999 > 4 71 O 0.62127703302030 0.62063005078657 0.83333333333333 15.999 > 4 72 O 0.95461036635363 0.62063005078657 0.83333333333333 15.999 > 4 *73 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 5 74 Pt 0.33333333333333 0.00000000000000 0.00000000000000 195.084 > 5 75 Pt 0.66666666666667 0.00000000000000 0.00000000000000 195.084 > 5 76 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 5 77 Pt 0.33333333333333 0.50000000000000 0.00000000000000 195.084 > 5 78 Pt 0.66666666666667 0.50000000000000 0.00000000000000 195.084 > 5 79 Pt 0.00000000000000 0.00000000000000 0.33333333333333 195.084 > 5 80 Pt 0.33333333333333 0.00000000000000 0.33333333333333 195.084 > 5 81 Pt 0.66666666666667 0.00000000000000 0.33333333333333 195.084 > 5 82 Pt 0.00000000000000 0.50000000000000 0.33333333333333 195.084 > 5 83 Pt 0.33333333333333 0.50000000000000 0.33333333333333 195.084 > 5 84 Pt 0.66666666666667 0.50000000000000 0.33333333333333 195.084 > 5 85 Pt 0.00000000000000 0.00000000000000 0.66666666666667 195.084 > 5 86 Pt 0.33333333333333 0.00000000000000 0.66666666666667 195.084 > 5 87 Pt 0.66666666666667 0.00000000000000 0.66666666666667 195.084 > 5 88 Pt 0.00000000000000 0.50000000000000 0.66666666666667 195.084 > 5 89 Pt 0.33333333333333 0.50000000000000 0.66666666666667 195.084 > 5 90 Pt 0.66666666666667 0.50000000000000 0.66666666666667 195.084 > 5 91 Pt 0.16666666666667 0.25000000000000 0.16666666666667 195.084 > 6 92 Pt 0.50000000000000 0.25000000000000 0.16666666666667 195.084 > 6 93 Pt 0.83333333333333 0.25000000000000 0.16666666666667 195.084 > 6 94 Pt 0.16666666666667 0.75000000000000 0.16666666666667 195.084 > 6 95 Pt 0.50000000000000 0.75000000000000 0.16666666666667 195.084 > 6 96 Pt 0.83333333333333 0.75000000000000 0.16666666666667 195.084 > 6 97 Pt 0.16666666666667 0.25000000000000 0.50000000000000 195.084 > 6 98 Pt 0.50000000000000 0.25000000000000 0.50000000000000 195.084 > 6 99 Pt 0.83333333333333 0.25000000000000 0.50000000000000 195.084 > 6 100 Pt 0.16666666666667 0.75000000000000 0.50000000000000 195.084 > 6 101 Pt 0.50000000000000 0.75000000000000 0.50000000000000 195.084 > 6 102 Pt 0.83333333333333 0.75000000000000 0.50000000000000 195.084 > 6 103 Pt 0.16666666666667 0.25000000000000 0.83333333333333 195.084 > 6 104 Pt 0.50000000000000 0.25000000000000 0.83333333333333 195.084 > 6 105 Pt 0.83333333333333 0.25000000000000 0.83333333333333 195.084 > 6 106 Pt 0.16666666666667 0.75000000000000 0.83333333333333 195.084 > 6 107 Pt 0.50000000000000 0.75000000000000 0.83333333333333 195.084 > 6 108 Pt 0.83333333333333 0.75000000000000 0.83333333333333 195.084 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 23.9013997 0.0000000 0.0000000 0.0000000 18.9800021 0.0000000 0.0000000 0.0000000 20.0545857 -------------------------- Born effective charges -------------------------- 1 O -1.0031727 -0.8762688 0.0000000 -0.7768365 -0.7435116 0.0000000 0.0000000 0.0000000 -1.3974752 2 O -1.0031727 -0.8762688 0.0000000 -0.7768365 -0.7435116 0.0000000 0.0000000 0.0000000 -1.3974752 3 O -1.0031727 0.8762688 0.0000000 0.7768365 -0.7435116 0.0000000 0.0000000 0.0000000 -1.3974752 4 O -1.0031727 0.8762688 0.0000000 0.7768365 -0.7435116 0.0000000 0.0000000 0.0000000 -1.3974752 5 Pt 2.0063455 0.8570060 0.0000000 1.3736534 1.4870233 0.0000000 0.0000000 0.0000000 2.7949503 6 Pt 2.0063455 -0.8570060 0.0000000 -1.3736534 1.4870233 0.0000000 0.0000000 0.0000000 2.7949503 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 3366/3366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 426 Number of blocks in projector: 426 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 110 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 70 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 70 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 70 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 53 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 53 Use standard eigh solver. Tree of FC basis block matrices: - (426, 416), data: False |-- (53, 53), data: True |-- (53, 53), data: True |-- (70, 68), data: True |-- (70, 68), data: True |-- (70, 68), data: True |-- (110, 106), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 160 - Time: 0.339 Solver_block: 160 / 160 - Time: 0.266 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.640 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 324/324 Permutation basis: 3366/3366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 426 Number of blocks in projector: 426 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 110 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 70 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 70 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 70 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 53 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 53 Use standard eigh solver. Tree of FC basis block matrices: - (426, 416), data: False |-- (53, 53), data: True |-- (53, 53), data: True |-- (70, 68), data: True |-- (70, 68), data: True |-- (70, 68), data: True |-- (110, 106), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 18:48:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:48:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.459321550000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.549667530000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.149955129999999 Atomic positions (fractional): 1 O 0.36383109906089 0.25873989842687 0.00000000000000 15.999 2 O 0.63616890093911 0.74126010157313 0.00000000000000 15.999 3 O 0.13616890093911 0.75873989842687 0.50000000000000 15.999 4 O 0.86383109906089 0.24126010157313 0.50000000000000 15.999 5 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 6 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.377964650000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.099335060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.449865389999998 Atomic positions (fractional): 1 O 0.12127703302030 0.12936994921343 0.00000000000000 15.999 > 1 2 O 0.45461036635363 0.12936994921343 0.00000000000000 15.999 > 1 3 O 0.78794369968696 0.12936994921343 0.00000000000000 15.999 > 1 4 O 0.12127703302030 0.62936994921343 0.00000000000000 15.999 > 1 5 O 0.45461036635363 0.62936994921343 0.00000000000000 15.999 > 1 6 O 0.78794369968696 0.62936994921343 0.00000000000000 15.999 > 1 7 O 0.12127703302030 0.12936994921343 0.33333333333333 15.999 > 1 8 O 0.45461036635363 0.12936994921343 0.33333333333333 15.999 > 1 9 O 0.78794369968696 0.12936994921343 0.33333333333333 15.999 > 1 10 O 0.12127703302030 0.62936994921343 0.33333333333333 15.999 > 1 11 O 0.45461036635363 0.62936994921343 0.33333333333333 15.999 > 1 12 O 0.78794369968696 0.62936994921343 0.33333333333333 15.999 > 1 13 O 0.12127703302030 0.12936994921343 0.66666666666667 15.999 > 1 14 O 0.45461036635363 0.12936994921343 0.66666666666667 15.999 > 1 15 O 0.78794369968696 0.12936994921343 0.66666666666667 15.999 > 1 16 O 0.12127703302030 0.62936994921343 0.66666666666667 15.999 > 1 17 O 0.45461036635363 0.62936994921343 0.66666666666667 15.999 > 1 18 O 0.78794369968696 0.62936994921343 0.66666666666667 15.999 > 1 19 O 0.21205630031304 0.37063005078657 0.00000000000000 15.999 > 19 20 O 0.54538963364637 0.37063005078657 0.00000000000000 15.999 > 19 21 O 0.87872296697970 0.37063005078657 0.00000000000000 15.999 > 19 22 O 0.21205630031304 0.87063005078657 0.00000000000000 15.999 > 19 23 O 0.54538963364637 0.87063005078657 0.00000000000000 15.999 > 19 24 O 0.87872296697970 0.87063005078657 0.00000000000000 15.999 > 19 25 O 0.21205630031304 0.37063005078657 0.33333333333333 15.999 > 19 26 O 0.54538963364637 0.37063005078657 0.33333333333333 15.999 > 19 27 O 0.87872296697970 0.37063005078657 0.33333333333333 15.999 > 19 28 O 0.21205630031304 0.87063005078657 0.33333333333333 15.999 > 19 29 O 0.54538963364637 0.87063005078657 0.33333333333333 15.999 > 19 30 O 0.87872296697970 0.87063005078657 0.33333333333333 15.999 > 19 31 O 0.21205630031304 0.37063005078657 0.66666666666667 15.999 > 19 32 O 0.54538963364637 0.37063005078657 0.66666666666667 15.999 > 19 33 O 0.87872296697970 0.37063005078657 0.66666666666667 15.999 > 19 34 O 0.21205630031304 0.87063005078657 0.66666666666667 15.999 > 19 35 O 0.54538963364637 0.87063005078657 0.66666666666667 15.999 > 19 36 O 0.87872296697970 0.87063005078657 0.66666666666667 15.999 > 19 37 O 0.04538963364637 0.37936994921343 0.16666666666667 15.999 > 37 38 O 0.37872296697970 0.37936994921343 0.16666666666667 15.999 > 37 39 O 0.71205630031304 0.37936994921343 0.16666666666667 15.999 > 37 40 O 0.04538963364637 0.87936994921343 0.16666666666667 15.999 > 37 41 O 0.37872296697970 0.87936994921343 0.16666666666667 15.999 > 37 42 O 0.71205630031304 0.87936994921343 0.16666666666667 15.999 > 37 43 O 0.04538963364637 0.37936994921343 0.50000000000000 15.999 > 37 44 O 0.37872296697970 0.37936994921343 0.50000000000000 15.999 > 37 45 O 0.71205630031304 0.37936994921343 0.50000000000000 15.999 > 37 46 O 0.04538963364637 0.87936994921343 0.50000000000000 15.999 > 37 47 O 0.37872296697970 0.87936994921343 0.50000000000000 15.999 > 37 48 O 0.71205630031304 0.87936994921343 0.50000000000000 15.999 > 37 49 O 0.04538963364637 0.37936994921343 0.83333333333333 15.999 > 37 50 O 0.37872296697970 0.37936994921343 0.83333333333333 15.999 > 37 51 O 0.71205630031304 0.37936994921343 0.83333333333333 15.999 > 37 52 O 0.04538963364637 0.87936994921343 0.83333333333333 15.999 > 37 53 O 0.37872296697970 0.87936994921343 0.83333333333333 15.999 > 37 54 O 0.71205630031304 0.87936994921343 0.83333333333333 15.999 > 37 55 O 0.28794369968696 0.12063005078657 0.16666666666667 15.999 > 55 56 O 0.62127703302030 0.12063005078657 0.16666666666667 15.999 > 55 57 O 0.95461036635363 0.12063005078657 0.16666666666667 15.999 > 55 58 O 0.28794369968696 0.62063005078657 0.16666666666667 15.999 > 55 59 O 0.62127703302030 0.62063005078657 0.16666666666667 15.999 > 55 60 O 0.95461036635363 0.62063005078657 0.16666666666667 15.999 > 55 61 O 0.28794369968696 0.12063005078657 0.50000000000000 15.999 > 55 62 O 0.62127703302030 0.12063005078657 0.50000000000000 15.999 > 55 63 O 0.95461036635363 0.12063005078657 0.50000000000000 15.999 > 55 64 O 0.28794369968696 0.62063005078657 0.50000000000000 15.999 > 55 65 O 0.62127703302030 0.62063005078657 0.50000000000000 15.999 > 55 66 O 0.95461036635363 0.62063005078657 0.50000000000000 15.999 > 55 67 O 0.28794369968696 0.12063005078657 0.83333333333333 15.999 > 55 68 O 0.62127703302030 0.12063005078657 0.83333333333333 15.999 > 55 69 O 0.95461036635363 0.12063005078657 0.83333333333333 15.999 > 55 70 O 0.28794369968696 0.62063005078657 0.83333333333333 15.999 > 55 71 O 0.62127703302030 0.62063005078657 0.83333333333333 15.999 > 55 72 O 0.95461036635363 0.62063005078657 0.83333333333333 15.999 > 55 73 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 73 74 Pt 0.33333333333333 0.00000000000000 0.00000000000000 195.084 > 73 75 Pt 0.66666666666667 0.00000000000000 0.00000000000000 195.084 > 73 76 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 73 77 Pt 0.33333333333333 0.50000000000000 0.00000000000000 195.084 > 73 78 Pt 0.66666666666667 0.50000000000000 0.00000000000000 195.084 > 73 79 Pt 0.00000000000000 0.00000000000000 0.33333333333333 195.084 > 73 80 Pt 0.33333333333333 0.00000000000000 0.33333333333333 195.084 > 73 81 Pt 0.66666666666667 0.00000000000000 0.33333333333333 195.084 > 73 82 Pt 0.00000000000000 0.50000000000000 0.33333333333333 195.084 > 73 83 Pt 0.33333333333333 0.50000000000000 0.33333333333333 195.084 > 73 84 Pt 0.66666666666667 0.50000000000000 0.33333333333333 195.084 > 73 85 Pt 0.00000000000000 0.00000000000000 0.66666666666667 195.084 > 73 86 Pt 0.33333333333333 0.00000000000000 0.66666666666667 195.084 > 73 87 Pt 0.66666666666667 0.00000000000000 0.66666666666667 195.084 > 73 88 Pt 0.00000000000000 0.50000000000000 0.66666666666667 195.084 > 73 89 Pt 0.33333333333333 0.50000000000000 0.66666666666667 195.084 > 73 90 Pt 0.66666666666667 0.50000000000000 0.66666666666667 195.084 > 73 91 Pt 0.16666666666667 0.25000000000000 0.16666666666667 195.084 > 91 92 Pt 0.50000000000000 0.25000000000000 0.16666666666667 195.084 > 91 93 Pt 0.83333333333333 0.25000000000000 0.16666666666667 195.084 > 91 94 Pt 0.16666666666667 0.75000000000000 0.16666666666667 195.084 > 91 95 Pt 0.50000000000000 0.75000000000000 0.16666666666667 195.084 > 91 96 Pt 0.83333333333333 0.75000000000000 0.16666666666667 195.084 > 91 97 Pt 0.16666666666667 0.25000000000000 0.50000000000000 195.084 > 91 98 Pt 0.50000000000000 0.25000000000000 0.50000000000000 195.084 > 91 99 Pt 0.83333333333333 0.25000000000000 0.50000000000000 195.084 > 91 100 Pt 0.16666666666667 0.75000000000000 0.50000000000000 195.084 > 91 101 Pt 0.50000000000000 0.75000000000000 0.50000000000000 195.084 > 91 102 Pt 0.83333333333333 0.75000000000000 0.50000000000000 195.084 > 91 103 Pt 0.16666666666667 0.25000000000000 0.83333333333333 195.084 > 91 104 Pt 0.50000000000000 0.25000000000000 0.83333333333333 195.084 > 91 105 Pt 0.83333333333333 0.25000000000000 0.83333333333333 195.084 > 91 106 Pt 0.16666666666667 0.75000000000000 0.83333333333333 195.084 > 91 107 Pt 0.50000000000000 0.75000000000000 0.83333333333333 195.084 > 91 108 Pt 0.83333333333333 0.75000000000000 0.83333333333333 195.084 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 23.9013997 0.0000000 0.0000000 0.0000000 18.9800021 0.0000000 0.0000000 0.0000000 20.0545857 -------------------------- Born effective charges -------------------------- 1 O -1.0031727 -0.8762688 0.0000000 -0.7768365 -0.7435116 0.0000000 0.0000000 0.0000000 -1.3974752 2 O -1.0031727 -0.8762688 0.0000000 -0.7768365 -0.7435116 0.0000000 0.0000000 0.0000000 -1.3974752 3 O -1.0031727 0.8762688 0.0000000 0.7768365 -0.7435116 0.0000000 0.0000000 0.0000000 -1.3974752 4 O -1.0031727 0.8762688 0.0000000 0.7768365 -0.7435116 0.0000000 0.0000000 0.0000000 -1.3974752 5 Pt 2.0063455 0.8570060 0.0000000 1.3736534 1.4870233 0.0000000 0.0000000 0.0000000 2.7949503 6 Pt 2.0063455 -0.8570060 0.0000000 -1.3736534 1.4870233 0.0000000 0.0000000 0.0000000 2.7949503 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xy) 0.00000001 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:48:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:48:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.459321550000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.549667530000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.149955129999999 Atomic positions (fractional): 1 O 0.36383109906089 0.25873989842687 0.00000000000000 15.999 2 O 0.63616890093911 0.74126010157313 0.00000000000000 15.999 3 O 0.13616890093911 0.75873989842687 0.50000000000000 15.999 4 O 0.86383109906089 0.24126010157313 0.50000000000000 15.999 5 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 6 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.377964650000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.099335060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.449865389999998 Atomic positions (fractional): 1 O 0.12127703302030 0.12936994921343 0.00000000000000 15.999 > 1 2 O 0.45461036635363 0.12936994921343 0.00000000000000 15.999 > 1 3 O 0.78794369968696 0.12936994921343 0.00000000000000 15.999 > 1 4 O 0.12127703302030 0.62936994921343 0.00000000000000 15.999 > 1 5 O 0.45461036635363 0.62936994921343 0.00000000000000 15.999 > 1 6 O 0.78794369968696 0.62936994921343 0.00000000000000 15.999 > 1 7 O 0.12127703302030 0.12936994921343 0.33333333333333 15.999 > 1 8 O 0.45461036635363 0.12936994921343 0.33333333333333 15.999 > 1 9 O 0.78794369968696 0.12936994921343 0.33333333333333 15.999 > 1 10 O 0.12127703302030 0.62936994921343 0.33333333333333 15.999 > 1 11 O 0.45461036635363 0.62936994921343 0.33333333333333 15.999 > 1 12 O 0.78794369968696 0.62936994921343 0.33333333333333 15.999 > 1 13 O 0.12127703302030 0.12936994921343 0.66666666666667 15.999 > 1 14 O 0.45461036635363 0.12936994921343 0.66666666666667 15.999 > 1 15 O 0.78794369968696 0.12936994921343 0.66666666666667 15.999 > 1 16 O 0.12127703302030 0.62936994921343 0.66666666666667 15.999 > 1 17 O 0.45461036635363 0.62936994921343 0.66666666666667 15.999 > 1 18 O 0.78794369968696 0.62936994921343 0.66666666666667 15.999 > 1 19 O 0.21205630031304 0.37063005078657 0.00000000000000 15.999 > 19 20 O 0.54538963364637 0.37063005078657 0.00000000000000 15.999 > 19 21 O 0.87872296697970 0.37063005078657 0.00000000000000 15.999 > 19 22 O 0.21205630031304 0.87063005078657 0.00000000000000 15.999 > 19 23 O 0.54538963364637 0.87063005078657 0.00000000000000 15.999 > 19 24 O 0.87872296697970 0.87063005078657 0.00000000000000 15.999 > 19 25 O 0.21205630031304 0.37063005078657 0.33333333333333 15.999 > 19 26 O 0.54538963364637 0.37063005078657 0.33333333333333 15.999 > 19 27 O 0.87872296697970 0.37063005078657 0.33333333333333 15.999 > 19 28 O 0.21205630031304 0.87063005078657 0.33333333333333 15.999 > 19 29 O 0.54538963364637 0.87063005078657 0.33333333333333 15.999 > 19 30 O 0.87872296697970 0.87063005078657 0.33333333333333 15.999 > 19 31 O 0.21205630031304 0.37063005078657 0.66666666666667 15.999 > 19 32 O 0.54538963364637 0.37063005078657 0.66666666666667 15.999 > 19 33 O 0.87872296697970 0.37063005078657 0.66666666666667 15.999 > 19 34 O 0.21205630031304 0.87063005078657 0.66666666666667 15.999 > 19 35 O 0.54538963364637 0.87063005078657 0.66666666666667 15.999 > 19 36 O 0.87872296697970 0.87063005078657 0.66666666666667 15.999 > 19 37 O 0.04538963364637 0.37936994921343 0.16666666666667 15.999 > 37 38 O 0.37872296697970 0.37936994921343 0.16666666666667 15.999 > 37 39 O 0.71205630031304 0.37936994921343 0.16666666666667 15.999 > 37 40 O 0.04538963364637 0.87936994921343 0.16666666666667 15.999 > 37 41 O 0.37872296697970 0.87936994921343 0.16666666666667 15.999 > 37 42 O 0.71205630031304 0.87936994921343 0.16666666666667 15.999 > 37 43 O 0.04538963364637 0.37936994921343 0.50000000000000 15.999 > 37 44 O 0.37872296697970 0.37936994921343 0.50000000000000 15.999 > 37 45 O 0.71205630031304 0.37936994921343 0.50000000000000 15.999 > 37 46 O 0.04538963364637 0.87936994921343 0.50000000000000 15.999 > 37 47 O 0.37872296697970 0.87936994921343 0.50000000000000 15.999 > 37 48 O 0.71205630031304 0.87936994921343 0.50000000000000 15.999 > 37 49 O 0.04538963364637 0.37936994921343 0.83333333333333 15.999 > 37 50 O 0.37872296697970 0.37936994921343 0.83333333333333 15.999 > 37 51 O 0.71205630031304 0.37936994921343 0.83333333333333 15.999 > 37 52 O 0.04538963364637 0.87936994921343 0.83333333333333 15.999 > 37 53 O 0.37872296697970 0.87936994921343 0.83333333333333 15.999 > 37 54 O 0.71205630031304 0.87936994921343 0.83333333333333 15.999 > 37 55 O 0.28794369968696 0.12063005078657 0.16666666666667 15.999 > 55 56 O 0.62127703302030 0.12063005078657 0.16666666666667 15.999 > 55 57 O 0.95461036635363 0.12063005078657 0.16666666666667 15.999 > 55 58 O 0.28794369968696 0.62063005078657 0.16666666666667 15.999 > 55 59 O 0.62127703302030 0.62063005078657 0.16666666666667 15.999 > 55 60 O 0.95461036635363 0.62063005078657 0.16666666666667 15.999 > 55 61 O 0.28794369968696 0.12063005078657 0.50000000000000 15.999 > 55 62 O 0.62127703302030 0.12063005078657 0.50000000000000 15.999 > 55 63 O 0.95461036635363 0.12063005078657 0.50000000000000 15.999 > 55 64 O 0.28794369968696 0.62063005078657 0.50000000000000 15.999 > 55 65 O 0.62127703302030 0.62063005078657 0.50000000000000 15.999 > 55 66 O 0.95461036635363 0.62063005078657 0.50000000000000 15.999 > 55 67 O 0.28794369968696 0.12063005078657 0.83333333333333 15.999 > 55 68 O 0.62127703302030 0.12063005078657 0.83333333333333 15.999 > 55 69 O 0.95461036635363 0.12063005078657 0.83333333333333 15.999 > 55 70 O 0.28794369968696 0.62063005078657 0.83333333333333 15.999 > 55 71 O 0.62127703302030 0.62063005078657 0.83333333333333 15.999 > 55 72 O 0.95461036635363 0.62063005078657 0.83333333333333 15.999 > 55 73 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 73 74 Pt 0.33333333333333 0.00000000000000 0.00000000000000 195.084 > 73 75 Pt 0.66666666666667 0.00000000000000 0.00000000000000 195.084 > 73 76 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 73 77 Pt 0.33333333333333 0.50000000000000 0.00000000000000 195.084 > 73 78 Pt 0.66666666666667 0.50000000000000 0.00000000000000 195.084 > 73 79 Pt 0.00000000000000 0.00000000000000 0.33333333333333 195.084 > 73 80 Pt 0.33333333333333 0.00000000000000 0.33333333333333 195.084 > 73 81 Pt 0.66666666666667 0.00000000000000 0.33333333333333 195.084 > 73 82 Pt 0.00000000000000 0.50000000000000 0.33333333333333 195.084 > 73 83 Pt 0.33333333333333 0.50000000000000 0.33333333333333 195.084 > 73 84 Pt 0.66666666666667 0.50000000000000 0.33333333333333 195.084 > 73 85 Pt 0.00000000000000 0.00000000000000 0.66666666666667 195.084 > 73 86 Pt 0.33333333333333 0.00000000000000 0.66666666666667 195.084 > 73 87 Pt 0.66666666666667 0.00000000000000 0.66666666666667 195.084 > 73 88 Pt 0.00000000000000 0.50000000000000 0.66666666666667 195.084 > 73 89 Pt 0.33333333333333 0.50000000000000 0.66666666666667 195.084 > 73 90 Pt 0.66666666666667 0.50000000000000 0.66666666666667 195.084 > 73 91 Pt 0.16666666666667 0.25000000000000 0.16666666666667 195.084 > 91 92 Pt 0.50000000000000 0.25000000000000 0.16666666666667 195.084 > 91 93 Pt 0.83333333333333 0.25000000000000 0.16666666666667 195.084 > 91 94 Pt 0.16666666666667 0.75000000000000 0.16666666666667 195.084 > 91 95 Pt 0.50000000000000 0.75000000000000 0.16666666666667 195.084 > 91 96 Pt 0.83333333333333 0.75000000000000 0.16666666666667 195.084 > 91 97 Pt 0.16666666666667 0.25000000000000 0.50000000000000 195.084 > 91 98 Pt 0.50000000000000 0.25000000000000 0.50000000000000 195.084 > 91 99 Pt 0.83333333333333 0.25000000000000 0.50000000000000 195.084 > 91 100 Pt 0.16666666666667 0.75000000000000 0.50000000000000 195.084 > 91 101 Pt 0.50000000000000 0.75000000000000 0.50000000000000 195.084 > 91 102 Pt 0.83333333333333 0.75000000000000 0.50000000000000 195.084 > 91 103 Pt 0.16666666666667 0.25000000000000 0.83333333333333 195.084 > 91 104 Pt 0.50000000000000 0.25000000000000 0.83333333333333 195.084 > 91 105 Pt 0.83333333333333 0.25000000000000 0.83333333333333 195.084 > 91 106 Pt 0.16666666666667 0.75000000000000 0.83333333333333 195.084 > 91 107 Pt 0.50000000000000 0.75000000000000 0.83333333333333 195.084 > 91 108 Pt 0.83333333333333 0.75000000000000 0.83333333333333 195.084 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 23.9013997 0.0000000 0.0000000 0.0000000 18.9800021 0.0000000 0.0000000 0.0000000 20.0545857 -------------------------- Born effective charges -------------------------- 1 O -1.0031727 -0.8762688 0.0000000 -0.7768365 -0.7435116 0.0000000 0.0000000 0.0000000 -1.3974752 2 O -1.0031727 -0.8762688 0.0000000 -0.7768365 -0.7435116 0.0000000 0.0000000 0.0000000 -1.3974752 3 O -1.0031727 0.8762688 0.0000000 0.7768365 -0.7435116 0.0000000 0.0000000 0.0000000 -1.3974752 4 O -1.0031727 0.8762688 0.0000000 0.7768365 -0.7435116 0.0000000 0.0000000 0.0000000 -1.3974752 5 Pt 2.0063455 0.8570060 0.0000000 1.3736534 1.4870233 0.0000000 0.0000000 0.0000000 2.7949503 6 Pt 2.0063455 -0.8570060 0.0000000 -1.3736534 1.4870233 0.0000000 0.0000000 0.0000000 2.7949503 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 16 ] 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: 1.04, Number of G-points: 307, Lambda: 0.50 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/324) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 324 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 5.350 ( 0.000 0.000 0.000) 0.000 6.426 ( 0.000 0.000 0.000) 0.000 6.546 ( 0.000 0.000 0.000) 0.000 7.911 ( 0.000 0.000 0.000) 0.000 11.052 ( 0.000 0.000 0.000) 0.000 11.395 ( 0.000 0.000 0.000) 0.000 11.807 ( 0.000 0.000 0.000) 0.000 16.260 ( 0.000 0.000 0.000) 0.000 16.975 ( 0.000 0.000 0.000) 0.000 19.896 ( 0.000 0.000 0.000) 0.000 19.935 ( 0.000 0.000 0.000) 0.000 20.020 ( 0.000 0.000 0.000) 0.000 20.241 ( 0.000 0.000 0.000) 0.000 20.583 ( 0.000 0.000 0.000) 0.000 21.139 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/324) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 30.699 0.000 0.000) 30.699 0.806 ( 39.416 0.000 0.000) 39.416 0.960 ( 46.869 0.000 0.000) 46.869 5.297 ( -5.224 0.000 0.000) 5.224 6.388 ( -3.830 0.000 0.000) 3.830 6.423 ( -13.906 0.000 0.000) 13.906 8.118 ( 18.443 0.000 0.000) 18.443 11.094 ( 2.617 0.000 0.000) 2.617 11.407 ( 1.151 0.000 0.000) 1.151 11.777 ( -2.994 0.000 0.000) 2.994 16.314 ( 5.242 0.000 0.000) 5.242 16.996 ( 2.149 0.000 0.000) 2.149 19.803 ( -9.008 0.000 0.000) 9.008 19.860 ( -7.305 0.000 0.000) 7.305 20.021 ( 0.091 0.000 0.000) 0.091 20.521 ( -5.732 0.000 0.000) 5.732 20.549 ( -2.039 0.000 0.000) 2.039 21.132 ( -0.908 0.000 0.000) 0.908 ======================= Grid point 2 (3/324) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 31.834 0.000 0.000) 31.834 1.604 ( 38.808 0.000 0.000) 38.808 1.906 ( 45.772 0.000 0.000) 45.772 5.133 ( -11.009 0.000 0.000) 11.009 6.074 ( -19.543 0.000 0.000) 19.543 6.263 ( -8.692 0.000 0.000) 8.692 8.589 ( 26.473 0.000 0.000) 26.473 11.171 ( 4.782 0.000 0.000) 4.782 11.436 ( 1.465 0.000 0.000) 1.465 11.685 ( -5.999 0.000 0.000) 5.999 16.472 ( 10.254 0.000 0.000) 10.254 17.070 ( 5.273 0.000 0.000) 5.273 19.539 ( -16.584 0.000 0.000) 16.584 19.643 ( -13.840 0.000 0.000) 13.840 20.022 ( -0.056 0.000 0.000) 0.056 20.371 ( -8.402 0.000 0.000) 8.402 20.496 ( -2.808 0.000 0.000) 2.808 21.091 ( -3.336 0.000 0.000) 3.336 ======================= Grid point 3 (4/324) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 32.981 0.000 0.000) 32.981 2.386 ( 37.757 0.000 0.000) 37.757 2.819 ( 43.655 0.000 0.000) 43.655 4.844 ( -17.375 0.000 0.000) 17.375 5.637 ( -23.312 0.000 0.000) 23.312 6.024 ( -14.928 0.000 0.000) 14.928 9.164 ( 29.352 0.000 0.000) 29.352 11.282 ( 5.877 0.000 0.000) 5.877 11.425 ( -5.332 0.000 0.000) 5.332 11.562 ( -3.520 0.000 0.000) 3.520 16.729 ( 14.775 0.000 0.000) 14.775 17.219 ( 9.405 0.000 0.000) 9.405 19.145 ( -21.462 0.000 0.000) 21.462 19.307 ( -18.746 0.000 0.000) 18.746 20.014 ( -0.825 0.000 0.000) 0.825 20.199 ( -8.039 0.000 0.000) 8.039 20.451 ( -1.169 0.000 0.000) 1.169 20.994 ( -6.075 0.000 0.000) 6.075 ======================= Grid point 4 (5/324) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 33.303 0.000 0.000) 33.303 3.140 ( 36.140 0.000 0.000) 36.140 3.676 ( 40.070 0.000 0.000) 40.070 4.425 ( -23.638 0.000 0.000) 23.638 5.124 ( -26.982 0.000 0.000) 26.982 5.648 ( -22.034 0.000 0.000) 22.034 9.764 ( 29.049 0.000 0.000) 29.049 11.195 ( -15.517 0.000 0.000) 15.517 11.400 ( 5.454 0.000 0.000) 5.454 11.552 ( 0.401 0.000 0.000) 0.401 17.068 ( 18.211 0.000 0.000) 18.211 17.447 ( 12.462 0.000 0.000) 12.462 18.693 ( -21.877 0.000 0.000) 21.877 18.897 ( -20.894 0.000 0.000) 20.894 19.988 ( -1.584 0.000 0.000) 1.584 20.057 ( -5.579 0.000 0.000) 5.579 20.463 ( 2.461 0.000 0.000) 2.461 20.850 ( -7.756 0.000 0.000) 7.756 ======================= Grid point 5 (6/324) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.265 ( 32.045 0.000 0.000) 32.045 3.853 ( 33.620 0.000 0.000) 33.620 3.888 ( -28.778 0.000 0.000) 28.778 4.391 ( 13.128 0.000 0.000) 13.128 4.591 ( -8.574 0.000 0.000) 8.574 5.127 ( -28.897 0.000 0.000) 28.897 10.330 ( 26.136 0.000 0.000) 26.136 10.817 ( -21.362 0.000 0.000) 21.362 11.495 ( 3.670 0.000 0.000) 3.670 11.545 ( -1.300 0.000 0.000) 1.300 17.447 ( 17.631 0.000 0.000) 17.631 17.646 ( 2.436 0.000 0.000) 2.436 18.346 ( -7.370 0.000 0.000) 7.370 18.492 ( -17.174 0.000 0.000) 17.174 19.962 ( -0.562 0.000 0.000) 0.562 19.977 ( -2.243 0.000 0.000) 2.243 20.549 ( 5.818 0.000 0.000) 5.818 20.690 ( -7.693 0.000 0.000) 7.693 ======================= Grid point 11 (7/324) ======================= q-point: ( 0.00 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 0.000 25.946 0.000) 25.946 0.791 ( 0.000 39.390 0.000) 39.390 1.023 ( 0.000 50.883 0.000) 50.883 5.279 ( 0.000 -7.091 0.000) 7.091 6.325 ( 0.000 -14.495 0.000) 14.495 6.510 ( 0.000 -3.676 0.000) 3.676 8.032 ( 0.000 10.894 0.000) 10.894 10.815 ( 0.000 -17.289 0.000) 17.289 11.598 ( 0.000 13.860 0.000) 13.860 11.834 ( 0.000 2.611 0.000) 2.611 16.306 ( 0.000 4.631 0.000) 4.631 17.006 ( 0.000 3.062 0.000) 3.062 19.812 ( 0.000 -8.301 0.000) 8.301 19.841 ( 0.000 -9.321 0.000) 9.321 20.002 ( 0.000 -1.696 0.000) 1.696 20.213 ( 0.000 -2.678 0.000) 2.678 20.582 ( 0.000 0.004 0.000) 0.004 21.373 ( 0.000 -3.143 0.000) 3.143 ======================= Grid point 12 (8/324) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( 9.493 13.234 0.000) 16.287 0.808 ( 24.227 16.967 0.000) 29.578 1.744 ( 40.790 43.605 0.000) 59.709 5.229 ( -5.011 -6.872 0.000) 8.505 6.278 ( -3.013 -11.111 0.000) 11.512 6.386 ( -12.566 -3.650 0.000) 13.085 8.188 ( 14.440 6.648 0.000) 15.897 10.842 ( 2.204 -18.242 0.000) 18.374 11.583 ( -1.502 10.900 0.000) 11.003 11.842 ( 0.617 6.366 0.000) 6.396 16.339 ( 3.279 2.679 0.000) 4.235 17.050 ( 4.416 5.328 0.000) 6.920 19.644 ( -12.532 -12.964 0.000) 18.031 19.853 ( -2.598 -3.453 0.000) 4.321 20.004 ( 0.298 -1.545 0.000) 1.574 20.360 ( 5.708 -10.271 0.000) 11.751 20.530 ( -4.545 0.620 0.000) 4.587 21.236 ( -7.357 3.305 0.000) 8.065 ======================= Grid point 13 (9/324) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 40.304 -24.993 0.000) 47.424 1.368 ( 29.655 10.870 0.000) 31.584 2.571 ( 40.076 39.818 0.000) 56.494 5.071 ( -10.528 -6.163 0.000) 12.199 6.026 ( -20.914 -6.200 0.000) 21.814 6.210 ( -5.227 -4.042 0.000) 6.607 8.568 ( 21.849 -1.767 0.000) 21.921 10.890 ( 1.979 -20.813 0.000) 20.907 11.546 ( -1.703 7.459 0.000) 7.651 11.855 ( 0.562 13.103 0.000) 13.115 16.441 ( 6.781 -2.139 0.000) 7.110 17.187 ( 9.024 10.753 0.000) 14.038 19.322 ( -18.718 -15.767 0.000) 24.474 19.728 ( -9.499 2.797 0.000) 9.902 20.012 ( 0.344 -0.941 0.000) 1.002 20.346 ( -6.205 -3.727 0.000) 7.238 20.461 ( -1.307 -1.013 0.000) 1.654 21.119 ( -5.051 1.685 0.000) 5.324 ======================= Grid point 14 (10/324) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 41.645 -27.699 0.000) 50.016 1.996 ( 31.587 7.646 0.000) 32.499 3.369 ( 37.927 35.202 0.000) 51.746 4.796 ( -16.574 -4.853 0.000) 17.269 5.543 ( -26.176 -8.941 0.000) 27.660 6.054 ( -10.529 2.385 0.000) 10.795 9.050 ( 24.884 -10.537 0.000) 27.023 10.891 ( -2.802 -26.002 0.000) 26.152 11.534 ( 1.051 9.173 0.000) 9.233 11.860 ( -0.218 17.731 0.000) 17.732 16.621 ( 10.954 -7.477 0.000) 13.262 17.412 ( 12.686 15.881 0.000) 20.326 18.901 ( -21.969 -16.549 0.000) 27.505 19.475 ( -15.025 9.053 0.000) 17.542 20.013 ( -0.373 -0.089 0.000) 0.383 20.198 ( -7.263 -0.346 0.000) 7.271 20.447 ( 0.045 0.083 0.000) 0.095 21.006 ( -6.207 0.962 0.000) 6.281 ======================= Grid point 15 (11/324) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 31.982 4.982 0.000) 32.368 2.741 ( 40.359 -25.721 0.000) 47.859 4.108 ( 34.104 29.308 0.000) 44.967 4.396 ( -22.529 -2.902 0.000) 22.716 4.966 ( -30.086 -13.020 0.000) 32.783 5.770 ( -17.403 9.506 0.000) 19.830 9.563 ( 25.004 -18.251 0.000) 30.957 10.753 ( -10.731 -29.176 0.000) 31.087 11.594 ( 4.522 12.820 0.000) 13.594 11.841 ( -1.699 19.084 0.000) 19.159 16.891 ( 15.611 -11.521 0.000) 19.402 17.665 ( 9.671 14.286 0.000) 17.252 18.478 ( -16.826 -11.493 0.000) 20.376 19.129 ( -18.535 14.421 0.000) 23.484 19.996 ( -1.176 0.783 0.000) 1.413 20.069 ( -5.103 1.078 0.000) 5.216 20.476 ( 3.040 1.476 0.000) 3.379 20.865 ( -7.486 1.364 0.000) 7.609 ======================= Grid point 16 (12/324) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.288 ( 30.684 2.279 0.000) 30.768 3.540 ( 37.871 -22.114 0.000) 43.854 3.884 ( -27.468 -0.436 0.000) 27.472 4.272 ( -32.874 -16.566 0.000) 36.812 4.797 ( 28.361 21.895 0.000) 35.829 5.345 ( -24.187 16.408 0.000) 29.227 10.051 ( 22.422 -24.219 0.000) 33.005 10.462 ( -17.532 -28.086 0.000) 33.109 11.697 ( 5.060 15.643 0.000) 16.441 11.787 ( -3.605 17.972 0.000) 18.330 17.250 ( 19.118 -13.199 0.000) 23.232 17.623 ( -14.579 -7.465 0.000) 16.378 18.407 ( 10.755 11.826 0.000) 15.985 18.740 ( -19.024 17.351 0.000) 25.748 19.977 ( -0.290 1.468 0.000) 1.496 19.995 ( -2.185 1.678 0.000) 2.755 20.570 ( 5.951 2.052 0.000) 6.295 20.710 ( -7.510 1.923 0.000) 7.752 ======================= Grid point 22 (13/324) ======================= q-point: ( 0.00 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 0.000 28.304 0.000) 28.304 1.570 ( 0.000 38.448 0.000) 38.448 2.026 ( 0.000 49.328 0.000) 49.328 5.066 ( 0.000 -14.297 0.000) 14.297 5.955 ( 0.000 -21.637 0.000) 21.637 6.394 ( 0.000 -8.114 0.000) 8.114 8.294 ( 0.000 14.327 0.000) 14.327 10.449 ( 0.000 -18.758 0.000) 18.758 11.862 ( 0.000 12.011 0.000) 12.011 11.909 ( 0.000 4.675 0.000) 4.675 16.449 ( 0.000 9.764 0.000) 9.764 17.101 ( 0.000 6.600 0.000) 6.600 19.570 ( 0.000 -17.534 0.000) 17.534 19.572 ( 0.000 -15.409 0.000) 15.409 19.956 ( 0.000 -2.807 0.000) 2.807 20.138 ( 0.000 -4.710 0.000) 4.710 20.587 ( 0.000 0.536 0.000) 0.536 21.284 ( 0.000 -5.694 0.000) 5.694 ======================= Grid point 23 (14/324) ======================= q-point: ( 0.09 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -24.300 41.054 0.000) 47.707 1.232 ( 16.845 24.578 0.000) 29.797 2.612 ( 36.810 42.933 0.000) 56.553 5.022 ( -4.307 -13.794 0.000) 14.451 5.946 ( -1.722 -21.136 0.000) 21.206 6.294 ( -8.784 -5.859 0.000) 10.559 8.358 ( 6.154 9.747 0.000) 11.527 10.454 ( 0.181 -20.072 0.000) 20.073 11.776 ( -4.196 8.776 0.000) 9.728 12.008 ( 5.555 9.173 0.000) 10.724 16.429 ( -1.273 6.572 0.000) 6.694 17.206 ( 9.598 10.131 0.000) 13.956 19.313 ( -15.402 -19.866 0.000) 25.137 19.708 ( 3.621 -10.876 0.000) 11.463 19.964 ( 0.828 -2.415 0.000) 2.553 20.195 ( 3.872 -6.948 0.000) 7.954 20.550 ( -3.214 1.416 0.000) 3.512 21.226 ( -4.632 -3.327 0.000) 5.703 ======================= Grid point 24 (15/324) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 14.037 16.312 0.000) 21.520 1.670 ( 24.879 18.770 0.000) 31.165 3.361 ( 36.062 38.718 0.000) 52.911 4.887 ( -9.021 -12.241 0.000) 15.206 5.773 ( -17.478 -18.844 0.000) 25.701 6.151 ( -3.140 -2.117 0.000) 3.787 8.533 ( 10.799 -1.322 0.000) 10.880 10.437 ( -2.372 -23.805 0.000) 23.922 11.724 ( -0.476 10.205 0.000) 10.216 12.109 ( 4.202 11.448 0.000) 12.195 16.426 ( 1.504 1.283 0.000) 1.977 17.460 ( 14.552 15.770 0.000) 21.458 18.954 ( -19.329 -20.623 0.000) 28.265 19.719 ( -2.490 -3.677 0.000) 4.441 19.988 ( 1.360 -1.424 0.000) 1.969 20.234 ( -0.759 -6.245 0.000) 6.291 20.486 ( -2.195 2.743 0.000) 3.514 21.126 ( -4.995 -1.156 0.000) 5.127 ======================= Grid point 25 (16/324) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 36.192 -8.427 0.000) 37.160 2.213 ( 27.823 13.766 0.000) 31.042 4.068 ( 32.962 34.054 0.000) 47.394 4.651 ( -14.173 -9.557 0.000) 17.094 5.292 ( -28.038 -16.083 0.000) 32.323 6.099 ( -3.792 1.884 0.000) 4.234 8.792 ( 14.513 -13.950 0.000) 20.130 10.339 ( -7.468 -28.686 0.000) 29.642 11.763 ( 4.207 12.911 0.000) 13.579 12.173 ( 1.909 13.292 0.000) 13.428 16.506 ( 6.603 -3.248 0.000) 7.359 17.758 ( 12.764 16.766 0.000) 21.072 18.560 ( -17.445 -16.158 0.000) 23.778 19.610 ( -8.109 4.224 0.000) 9.143 20.012 ( 0.825 -0.037 0.000) 0.826 20.175 ( -4.123 -1.924 0.000) 4.550 20.475 ( 1.079 2.970 0.000) 3.160 21.020 ( -5.531 0.194 0.000) 5.535 ======================= Grid point 26 (17/324) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 40.335 -16.050 0.000) 43.411 2.788 ( 28.236 8.953 0.000) 29.621 4.309 ( -19.307 -5.766 0.000) 20.150 4.606 ( -14.264 -1.270 0.000) 14.320 4.753 ( 9.475 13.347 0.000) 16.368 5.959 ( -10.311 8.689 0.000) 13.484 9.119 ( 17.269 -24.451 0.000) 29.934 10.133 ( -12.610 -32.327 0.000) 34.699 11.881 ( 6.801 14.807 0.000) 16.294 12.182 ( -1.025 14.623 0.000) 14.659 16.700 ( 12.446 -7.029 0.000) 14.294 17.785 ( -13.245 -5.577 0.000) 14.372 18.440 ( 9.010 10.573 0.000) 13.891 19.395 ( -12.870 11.665 0.000) 17.370 20.018 ( -0.071 1.428 0.000) 1.430 20.094 ( -3.490 1.220 0.000) 3.697 20.527 ( 3.882 3.593 0.000) 5.289 20.898 ( -6.441 1.713 0.000) 6.665 ======================= Grid point 27 (18/324) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.126 ( 39.904 -17.853 0.000) 43.716 3.352 ( 26.799 3.938 0.000) 27.087 3.869 ( -23.716 -1.118 0.000) 23.742 3.917 ( -37.464 -17.380 0.000) 41.300 5.252 ( 23.713 22.220 0.000) 32.497 5.675 ( -17.500 15.693 0.000) 23.506 9.482 ( 17.964 -30.955 0.000) 35.790 9.835 ( -16.286 -33.356 0.000) 37.119 12.020 ( 6.435 15.516 0.000) 16.798 12.130 ( -4.104 15.386 0.000) 15.924 17.009 ( 17.672 -10.255 0.000) 20.432 17.405 ( -20.491 -12.203 0.000) 23.849 18.745 ( 17.407 19.501 0.000) 26.140 19.094 ( -16.309 17.337 0.000) 23.803 20.018 ( 0.328 2.517 0.000) 2.538 20.039 ( -1.831 2.609 0.000) 3.188 20.629 ( 5.979 3.772 0.000) 7.069 20.761 ( -6.791 3.084 0.000) 7.458 ======================= Grid point 33 (19/324) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 0.000 31.177 0.000) 31.177 2.324 ( 0.000 36.947 0.000) 36.947 2.986 ( 0.000 46.457 0.000) 46.457 4.709 ( 0.000 -21.341 0.000) 21.341 5.483 ( 0.000 -25.215 0.000) 25.215 6.177 ( 0.000 -13.888 0.000) 13.888 8.582 ( 0.000 14.262 0.000) 14.262 10.077 ( 0.000 -18.197 0.000) 18.197 12.014 ( 0.000 5.660 0.000) 5.660 12.068 ( 0.000 8.438 0.000) 8.438 16.700 ( 0.000 15.399 0.000) 15.399 17.273 ( 0.000 10.741 0.000) 10.741 19.154 ( 0.000 -23.654 0.000) 23.654 19.211 ( 0.000 -20.346 0.000) 20.346 19.897 ( 0.000 -2.903 0.000) 2.903 20.034 ( 0.000 -5.428 0.000) 5.428 20.608 ( 0.000 1.695 0.000) 1.695 21.153 ( 0.000 -7.204 0.000) 7.204 ======================= Grid point 34 (20/324) ======================= q-point: ( 0.09 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 12.054 28.887 0.000) 31.301 1.917 ( -25.519 41.454 0.000) 48.679 3.448 ( 31.814 40.474 0.000) 51.481 4.679 ( -2.978 -20.482 0.000) 20.697 5.462 ( -3.023 -26.857 0.000) 27.027 6.136 ( -3.185 -10.320 0.000) 10.801 8.564 ( -1.593 10.713 0.000) 10.831 10.053 ( -2.644 -19.798 0.000) 19.974 11.947 ( -2.588 8.406 0.000) 8.795 12.173 ( 6.401 6.918 0.000) 9.425 16.611 ( -6.328 11.759 0.000) 13.354 17.450 ( 14.805 14.229 0.000) 20.534 18.866 ( -16.663 -24.350 0.000) 29.506 19.429 ( 9.906 -16.753 0.000) 19.463 19.913 ( 1.609 -2.453 0.000) 2.934 20.067 ( 2.700 -5.929 0.000) 6.515 20.588 ( -1.680 2.511 0.000) 3.021 21.129 ( -2.141 -6.019 0.000) 6.388 ======================= Grid point 35 (21/324) ======================= q-point: ( 0.18 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -8.835 37.355 0.000) 38.385 2.099 ( 19.446 23.797 0.000) 30.732 4.104 ( 31.535 35.310 0.000) 47.342 4.585 ( -6.354 -17.943 0.000) 19.035 5.301 ( -13.934 -27.827 0.000) 31.120 6.097 ( 0.097 -3.923 0.000) 3.924 8.532 ( -1.096 1.502 0.000) 1.860 9.957 ( -7.082 -23.930 0.000) 24.956 11.939 ( 1.991 10.935 0.000) 11.115 12.297 ( 5.431 7.184 0.000) 9.005 16.508 ( -2.988 7.169 0.000) 7.767 17.789 ( 16.342 16.105 0.000) 22.944 18.522 ( -15.721 -21.440 0.000) 26.586 19.585 ( 5.274 -9.607 0.000) 10.960 19.959 ( 2.656 -1.351 0.000) 2.980 20.117 ( 1.692 -5.300 0.000) 5.563 20.556 ( -1.040 4.147 0.000) 4.276 21.075 ( -2.987 -3.755 0.000) 4.798 ======================= Grid point 36 (22/324) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 17.577 19.365 0.000) 26.152 2.532 ( 22.415 17.864 0.000) 28.663 4.417 ( -10.210 -13.850 0.000) 17.207 4.707 ( 25.345 27.801 0.000) 37.620 4.902 ( -22.477 -21.294 0.000) 30.962 6.122 ( 1.215 0.234 0.000) 1.238 8.540 ( 2.401 -10.357 0.000) 10.632 9.762 ( -11.893 -28.670 0.000) 31.039 12.023 ( 5.832 12.555 0.000) 13.843 12.386 ( 3.159 8.041 0.000) 8.639 16.504 ( 2.670 3.088 0.000) 4.083 17.899 ( -10.949 -8.523 0.000) 13.876 18.427 ( 11.465 8.556 0.000) 14.306 19.640 ( -0.005 -1.320 0.000) 1.320 20.012 ( 2.376 0.135 0.000) 2.380 20.130 ( -0.300 -2.386 0.000) 2.404 20.559 ( 1.508 5.141 0.000) 5.358 21.008 ( -3.601 -1.419 0.000) 3.870 ======================= Grid point 37 (23/324) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 32.058 2.418 0.000) 32.149 2.994 ( 22.559 11.491 0.000) 25.317 4.167 ( -14.250 -8.429 0.000) 16.556 4.300 ( -31.938 -18.463 0.000) 36.891 5.244 ( 23.188 24.453 0.000) 33.699 6.103 ( -3.767 5.593 0.000) 6.743 8.645 ( 8.108 -21.711 0.000) 23.176 9.483 ( -15.041 -32.083 0.000) 35.434 12.159 ( 7.095 12.683 0.000) 14.532 12.420 ( 0.113 9.189 0.000) 9.190 16.619 ( 8.602 -1.090 0.000) 8.671 17.554 ( -19.077 -14.384 0.000) 23.892 18.772 ( 18.583 19.163 0.000) 26.694 19.582 ( -5.665 6.863 0.000) 8.899 20.050 ( 1.361 1.711 0.000) 2.186 20.114 ( -1.009 0.804 0.000) 1.290 20.617 ( 3.999 5.250 0.000) 6.599 20.926 ( -4.514 0.943 0.000) 4.611 ======================= Grid point 38 (24/324) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( 36.246 -7.430 0.000) 37.000 3.440 ( 20.892 4.748 0.000) 21.425 3.606 ( -35.656 -13.570 0.000) 38.151 3.838 ( -17.975 -2.060 0.000) 18.093 5.662 ( 17.593 18.463 0.000) 25.503 5.954 ( -10.934 12.042 0.000) 16.266 8.866 ( 13.240 -29.574 0.000) 32.403 9.166 ( -15.637 -32.793 0.000) 36.331 12.295 ( 5.893 11.790 0.000) 13.181 12.389 ( -3.163 10.498 0.000) 10.964 16.850 ( 13.857 -5.702 0.000) 14.985 17.174 ( -17.669 -10.538 0.000) 20.573 19.130 ( 15.958 18.235 0.000) 24.232 19.409 ( -11.232 13.731 0.000) 17.740 20.073 ( 0.962 2.787 0.000) 2.948 20.093 ( -1.049 2.613 0.000) 2.816 20.714 ( 5.332 4.569 0.000) 7.022 20.825 ( -5.329 3.070 0.000) 6.150 ======================= Grid point 44 (25/324) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 0.000 33.366 0.000) 33.366 3.043 ( 0.000 34.974 0.000) 34.974 3.870 ( 0.000 41.526 0.000) 41.526 4.219 ( 0.000 -27.485 0.000) 27.485 4.956 ( 0.000 -27.248 0.000) 27.248 5.830 ( 0.000 -21.032 0.000) 21.032 8.860 ( 0.000 13.618 0.000) 13.618 9.728 ( 0.000 -16.631 0.000) 16.631 12.125 ( 0.000 5.165 0.000) 5.165 12.195 ( 0.000 4.307 0.000) 4.307 17.063 ( 0.000 20.837 0.000) 20.837 17.531 ( 0.000 14.926 0.000) 14.926 18.645 ( 0.000 -26.780 0.000) 26.780 18.778 ( 0.000 -22.490 0.000) 22.490 19.848 ( 0.000 -1.836 0.000) 1.836 19.931 ( 0.000 -4.604 0.000) 4.604 20.658 ( 0.000 3.327 0.000) 3.327 21.004 ( 0.000 -7.490 0.000) 7.490 ======================= Grid point 45 (26/324) ======================= q-point: ( 0.09 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 8.292 31.477 0.000) 32.551 2.730 ( -22.174 39.686 0.000) 45.461 4.210 ( -0.943 -26.255 0.000) 26.272 4.214 ( 25.450 35.281 0.000) 43.503 4.889 ( -6.472 -29.682 0.000) 30.380 5.869 ( 3.735 -16.663 0.000) 17.077 8.787 ( -6.830 11.719 0.000) 13.564 9.671 ( -5.690 -18.223 0.000) 19.091 12.106 ( 0.034 7.315 0.000) 7.315 12.273 ( 5.645 2.979 0.000) 6.383 16.902 ( -10.757 17.395 0.000) 20.452 17.761 ( 16.579 15.862 0.000) 22.945 18.367 ( -14.771 -24.309 0.000) 28.445 19.054 ( 15.395 -20.375 0.000) 25.537 19.872 ( 2.351 -1.493 0.000) 2.786 19.961 ( 2.648 -4.590 0.000) 5.299 20.652 ( -0.415 3.899 0.000) 3.922 20.998 ( -0.548 -6.840 0.000) 6.862 ======================= Grid point 46 (27/324) ======================= q-point: ( 0.18 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -14.859 41.126 0.000) 43.728 2.606 ( 13.784 26.614 0.000) 29.972 4.176 ( -2.481 -22.738 0.000) 22.873 4.643 ( -4.551 -22.240 0.000) 22.701 4.798 ( 17.558 18.558 0.000) 25.547 5.972 ( 6.014 -9.019 0.000) 10.840 8.607 ( -10.052 6.316 0.000) 11.871 9.495 ( -11.523 -21.930 0.000) 24.773 12.146 ( 3.819 9.448 0.000) 10.190 12.393 ( 5.697 2.408 0.000) 6.185 16.715 ( -6.945 13.523 0.000) 15.202 17.882 ( -11.044 -15.373 0.000) 18.929 18.325 ( 16.169 10.339 0.000) 19.192 19.343 ( 12.653 -14.342 0.000) 19.125 19.938 ( 3.831 -0.660 0.000) 3.887 20.025 ( 3.302 -3.859 0.000) 5.079 20.649 ( 0.306 5.082 0.000) 5.092 20.984 ( -0.838 -5.228 0.000) 5.294 ======================= Grid point 47 (28/324) ======================= q-point: ( 0.27 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 1.631 33.933 0.000) 33.972 2.914 ( 15.911 20.100 0.000) 25.635 4.103 ( -4.820 -17.359 0.000) 18.016 4.339 ( -19.143 -31.074 0.000) 36.497 5.272 ( 22.528 24.733 0.000) 33.455 6.096 ( 5.611 -3.280 0.000) 6.499 8.410 ( -8.374 -1.958 0.000) 8.600 9.213 ( -15.663 -25.662 0.000) 30.065 12.251 ( 6.080 10.041 0.000) 11.738 12.494 ( 4.047 2.834 0.000) 4.941 16.629 ( -1.491 9.354 0.000) 9.472 17.578 ( -15.928 -19.072 0.000) 24.849 18.738 ( 21.150 18.039 0.000) 27.798 19.557 ( 8.039 -6.891 0.000) 10.589 20.018 ( 3.770 0.427 0.000) 3.794 20.086 ( 2.522 -1.961 0.000) 3.195 20.671 ( 1.936 5.825 0.000) 6.138 20.963 ( -1.230 -3.088 0.000) 3.324 ======================= Grid point 48 (29/324) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 17.148 19.216 0.000) 25.754 3.238 ( 15.520 12.712 0.000) 20.062 3.894 ( -24.151 -22.344 0.000) 32.902 3.976 ( -7.742 -10.632 0.000) 13.152 5.683 ( 17.586 19.161 0.000) 26.007 6.177 ( 1.774 1.631 0.000) 2.410 8.298 ( -1.959 -11.953 0.000) 12.112 8.878 ( -16.620 -27.691 0.000) 32.296 12.379 ( 6.108 9.171 0.000) 11.019 12.551 ( 1.423 3.983 0.000) 4.229 16.653 ( 3.813 4.407 0.000) 5.828 17.264 ( -14.641 -14.186 0.000) 20.386 19.141 ( 17.907 17.034 0.000) 24.715 19.661 ( 1.894 0.848 0.000) 2.075 20.084 ( 2.612 1.557 0.000) 3.041 20.125 ( 1.325 0.271 0.000) 1.353 20.727 ( 3.405 5.485 0.000) 6.456 20.930 ( -2.089 -0.635 0.000) 2.183 ======================= Grid point 49 (30/324) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( 25.186 3.550 0.000) 25.435 3.371 ( -26.720 -10.354 0.000) 28.656 3.537 ( 13.585 4.864 0.000) 14.430 3.786 ( -10.819 -3.064 0.000) 11.244 5.982 ( 11.591 13.388 0.000) 17.709 6.150 ( -4.754 7.367 0.000) 8.767 8.347 ( 6.802 -21.134 0.000) 22.201 8.562 ( -13.695 -26.566 0.000) 29.888 12.488 ( 4.360 7.493 0.000) 8.670 12.550 ( -1.598 5.625 0.000) 5.847 16.780 ( 8.409 -1.426 0.000) 8.529 16.990 ( -12.053 -7.863 0.000) 14.391 19.451 ( 12.145 13.460 0.000) 18.130 19.628 ( -5.160 7.889 0.000) 9.426 20.124 ( 1.344 2.217 0.000) 2.592 20.138 ( -0.052 1.819 0.000) 1.820 20.803 ( 3.856 4.050 0.000) 5.592 20.876 ( -3.204 1.870 0.000) 3.710 ======================= Grid point 55 (31/324) ======================= q-point: ( 0.00 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( 0.000 33.796 0.000) 33.796 3.623 ( 0.000 -31.835 0.000) 31.835 3.719 ( 0.000 32.536 0.000) 32.536 4.322 ( 0.000 -24.042 0.000) 24.042 4.707 ( 0.000 29.914 0.000) 29.914 5.333 ( 0.000 -28.679 0.000) 28.679 9.131 ( 0.000 13.687 0.000) 13.687 9.414 ( 0.000 -14.834 0.000) 14.834 12.210 ( 0.000 3.100 0.000) 3.100 12.240 ( 0.000 0.246 0.000) 0.246 17.521 ( 0.000 24.414 0.000) 24.414 17.835 ( 0.000 10.053 0.000) 10.053 18.137 ( 0.000 -18.299 0.000) 18.299 18.334 ( 0.000 -21.175 0.000) 21.175 19.830 ( 0.000 0.189 0.000) 0.189 19.858 ( 0.000 -2.605 0.000) 2.605 20.742 ( 0.000 5.130 0.000) 5.130 20.861 ( 0.000 -6.675 0.000) 6.675 ======================= Grid point 56 (32/324) ======================= q-point: ( 0.09 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.014 ( 4.874 32.069 0.000) 32.437 3.498 ( -17.125 37.142 0.000) 40.900 3.641 ( 1.736 -30.304 0.000) 30.354 4.207 ( -10.866 -33.196 0.000) 34.929 4.920 ( 17.813 29.845 0.000) 34.757 5.464 ( 11.150 -23.917 0.000) 26.389 9.037 ( -8.887 13.490 0.000) 16.154 9.330 ( -8.151 -15.870 0.000) 17.841 12.230 ( 2.381 4.814 0.000) 5.371 12.291 ( 4.249 -1.187 0.000) 4.412 17.300 ( -14.070 22.139 0.000) 26.232 17.759 ( -13.887 -21.592 0.000) 25.672 18.232 ( 18.082 16.569 0.000) 24.526 18.632 ( 19.112 -21.351 0.000) 28.655 19.860 ( 2.797 0.333 0.000) 2.817 19.888 ( 2.846 -2.571 0.000) 3.835 20.745 ( 0.291 5.342 0.000) 5.350 20.863 ( 0.265 -6.466 0.000) 6.471 ======================= Grid point 57 (33/324) ======================= q-point: ( 0.18 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( 8.005 27.366 0.000) 28.513 3.150 ( -15.345 40.673 0.000) 43.471 3.686 ( 2.432 -26.024 0.000) 26.137 3.942 ( -14.011 -38.214 0.000) 40.702 5.319 ( 19.847 23.864 0.000) 31.039 5.722 ( 13.069 -16.291 0.000) 20.885 8.792 ( -14.508 12.246 0.000) 18.986 9.094 ( -14.544 -17.859 0.000) 23.032 12.306 ( 4.897 6.364 0.000) 8.030 12.394 ( 5.477 -2.256 0.000) 5.923 17.043 ( -10.700 19.015 0.000) 21.819 17.461 ( -14.084 -22.301 0.000) 26.376 18.657 ( 21.783 18.641 0.000) 28.670 19.022 ( 18.524 -17.519 0.000) 25.496 19.936 ( 4.467 0.605 0.000) 4.508 19.964 ( 4.293 -2.215 0.000) 4.830 20.757 ( 0.978 5.672 0.000) 5.755 20.872 ( 0.600 -5.786 0.000) 5.817 ======================= Grid point 58 (34/324) ======================= q-point: ( 0.27 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.915 ( -7.205 37.774 0.000) 38.456 3.324 ( 8.804 20.679 0.000) 22.475 3.661 ( -13.237 -36.244 0.000) 38.586 3.730 ( 1.687 -19.720 0.000) 19.792 5.698 ( 16.907 17.646 0.000) 24.438 5.971 ( 10.989 -9.701 0.000) 14.659 8.478 ( -15.370 8.907 0.000) 17.764 8.761 ( -17.454 -18.969 0.000) 25.778 12.416 ( 5.586 6.390 0.000) 8.487 12.502 ( 4.839 -2.033 0.000) 5.248 16.870 ( -6.219 14.579 0.000) 15.850 17.200 ( -11.376 -18.132 0.000) 21.406 19.084 ( 19.580 16.102 0.000) 25.350 19.367 ( 14.880 -12.004 0.000) 19.118 20.030 ( 4.484 0.846 0.000) 4.563 20.052 ( 4.123 -1.375 0.000) 4.346 20.786 ( 1.806 5.508 0.000) 5.797 20.887 ( 0.733 -4.517 0.000) 4.576 ======================= Grid point 59 (35/324) ======================= q-point: ( 0.36 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( 1.939 26.761 0.000) 26.832 3.405 ( -11.963 -26.433 0.000) 29.014 3.495 ( 7.713 12.876 0.000) 15.010 3.747 ( -0.242 -12.154 0.000) 12.157 5.997 ( 12.179 11.965 0.000) 17.073 6.156 ( 6.896 -4.153 0.000) 8.050 8.202 ( -10.810 2.870 0.000) 11.184 8.414 ( -15.782 -17.790 0.000) 23.781 12.522 ( 4.564 5.154 0.000) 6.884 12.582 ( 2.925 -0.789 0.000) 3.030 16.788 ( -1.947 8.845 0.000) 9.057 16.999 ( -8.360 -12.103 0.000) 14.710 19.434 ( 14.345 11.994 0.000) 18.698 19.613 ( 8.819 -5.706 0.000) 10.504 20.110 ( 3.202 1.048 0.000) 3.369 20.125 ( 2.803 -0.371 0.000) 2.827 20.827 ( 2.168 4.417 0.000) 4.920 20.898 ( 0.279 -2.598 0.000) 2.613 ======================= Grid point 60 (36/324) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.973 ( 8.181 9.402 0.000) 12.463 3.172 ( -10.835 -9.956 0.000) 14.714 3.631 ( 5.493 4.541 0.000) 7.127 3.716 ( -2.818 -3.923 0.000) 4.830 6.185 ( 6.095 6.639 0.000) 9.013 6.239 ( 0.882 1.211 0.000) 1.498 8.071 ( -1.398 -5.390 0.000) 5.569 8.152 ( -9.037 -13.208 0.000) 16.004 12.595 ( 2.387 3.215 0.000) 4.004 12.616 ( 0.318 1.089 0.000) 1.135 16.788 ( 1.848 2.117 0.000) 2.810 16.860 ( -5.225 -5.092 0.000) 7.295 19.655 ( 7.042 6.758 0.000) 9.760 19.716 ( 1.122 0.723 0.000) 1.335 20.157 ( 1.310 1.001 0.000) 1.649 20.162 ( 0.815 0.489 0.000) 0.951 20.868 ( 1.739 2.380 0.000) 2.948 20.894 ( -0.726 -0.160 0.000) 0.743 ======================= Grid point 121 (37/324) ======================= q-point: ( 0.00 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 0.000 0.000 30.521) 30.521 0.628 ( 0.000 0.000 31.939) 31.939 1.277 ( 0.000 0.000 64.244) 64.244 5.463 ( 0.000 0.000 11.239) 11.239 6.423 ( 0.000 0.000 -0.264) 0.264 6.536 ( 0.000 0.000 -1.061) 1.061 8.056 ( 0.000 0.000 14.355) 14.355 10.987 ( 0.000 0.000 -6.572) 6.572 11.429 ( 0.000 0.000 3.460) 3.460 11.721 ( 0.000 0.000 -8.613) 8.613 16.265 ( 0.000 0.000 0.480) 0.480 16.990 ( 0.000 0.000 1.334) 1.334 19.852 ( 0.000 0.000 -4.149) 4.149 20.058 ( 0.000 0.000 3.727) 3.727 20.161 ( 0.000 0.000 -7.963) 7.963 20.378 ( 0.000 0.000 -4.236) 4.236 20.637 ( 0.000 0.000 5.095) 5.095 21.044 ( 0.000 0.000 -9.437) 9.437 ======================= Grid point 122 (38/324) ======================= q-point: ( 0.09 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 17.588 0.000 22.501) 28.559 1.006 ( 31.582 0.000 18.230) 36.466 1.651 ( 30.462 0.000 51.206) 59.582 5.402 ( -5.984 0.000 10.368) 11.971 6.392 ( -3.165 0.000 0.498) 3.204 6.405 ( -12.548 0.000 -1.164) 12.602 8.246 ( 17.125 0.000 12.725) 21.335 11.021 ( 2.970 0.000 -6.934) 7.543 11.431 ( 0.075 0.000 1.986) 1.988 11.700 ( -1.969 0.000 -7.192) 7.457 16.322 ( 5.526 0.000 0.795) 5.583 17.014 ( 2.483 0.000 1.691) 3.004 19.760 ( -8.846 0.000 -4.004) 9.710 19.885 ( -13.299 0.000 -0.959) 13.333 20.075 ( -0.084 0.000 4.187) 4.187 20.459 ( 0.777 0.000 -7.392) 7.433 20.575 ( -5.738 0.000 4.982) 7.599 21.039 ( -0.758 0.000 -9.155) 9.187 ======================= Grid point 123 (39/324) ======================= q-point: ( 0.18 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 29.510 0.000 8.412) 30.685 1.712 ( 36.259 0.000 10.600) 37.777 2.362 ( 37.612 0.000 38.376) 53.734 5.218 ( -12.110 0.000 8.320) 14.693 6.073 ( -19.101 0.000 -0.070) 19.101 6.286 ( -7.558 0.000 2.456) 7.947 8.688 ( 24.953 0.000 9.774) 26.799 11.103 ( 5.032 0.000 -6.604) 8.303 11.422 ( -1.545 0.000 -3.123) 3.484 11.645 ( -3.097 0.000 -2.253) 3.830 16.487 ( 10.619 0.000 1.489) 10.723 17.096 ( 5.745 0.000 2.556) 6.288 19.502 ( -16.182 0.000 -3.470) 16.550 19.607 ( -14.882 0.000 -3.656) 15.325 20.079 ( 0.246 0.000 4.752) 4.758 20.426 ( -8.269 0.000 5.128) 9.730 20.434 ( -2.375 0.000 -5.743) 6.215 21.000 ( -3.262 0.000 -8.895) 9.475 ======================= Grid point 124 (40/324) ======================= q-point: ( 0.27 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 32.850 0.000 3.655) 33.052 2.456 ( 36.422 0.000 7.078) 37.103 3.145 ( 38.617 0.000 29.308) 48.480 4.908 ( -18.359 0.000 6.159) 19.365 5.642 ( -23.011 0.000 0.571) 23.018 6.074 ( -13.476 0.000 5.104) 14.410 9.230 ( 27.635 0.000 6.386) 28.364 11.220 ( 6.264 0.000 -5.939) 8.632 11.337 ( -7.372 0.000 -8.982) 11.620 11.594 ( -1.591 0.000 3.357) 3.715 16.751 ( 15.122 0.000 2.234) 15.286 17.254 ( 9.749 0.000 3.428) 10.334 19.118 ( -20.920 0.000 -2.531) 21.073 19.266 ( -18.460 0.000 -3.902) 18.867 20.080 ( -0.326 0.000 5.809) 5.818 20.258 ( -7.838 0.000 5.561) 9.610 20.388 ( -1.475 0.000 -5.881) 6.064 20.905 ( -5.988 0.000 -8.773) 10.622 ======================= Grid point 125 (41/324) ======================= q-point: ( 0.36 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 33.529 0.000 2.407) 33.615 3.187 ( 35.046 0.000 4.767) 35.368 3.916 ( 36.597 0.000 22.483) 42.951 4.473 ( -24.147 0.000 4.686) 24.598 5.136 ( -26.580 0.000 1.289) 26.611 5.730 ( -20.285 0.000 8.252) 21.899 9.794 ( 27.233 0.000 2.639) 27.361 11.118 ( -13.943 0.000 -8.114) 16.132 11.349 ( 6.104 0.000 -4.775) 7.750 11.571 ( -1.134 0.000 2.380) 2.637 17.096 ( 18.468 0.000 2.833) 18.684 17.487 ( 12.605 0.000 3.901) 13.195 18.675 ( -21.558 0.000 -1.611) 21.618 18.867 ( -20.215 0.000 -2.838) 20.413 20.061 ( -1.426 0.000 6.868) 7.014 20.121 ( -5.336 0.000 6.093) 8.099 20.393 ( 2.133 0.000 -6.843) 7.168 20.764 ( -7.575 0.000 -8.536) 11.412 ======================= Grid point 126 (42/324) ======================= q-point: ( 0.45 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.279 ( 32.144 0.000 2.094) 32.212 3.819 ( 6.364 0.000 -0.373) 6.375 3.991 ( -2.541 0.000 7.335) 7.763 4.514 ( -14.923 0.000 8.366) 17.109 4.670 ( 17.603 0.000 11.171) 20.849 5.248 ( -26.905 0.000 11.908) 29.422 10.323 ( 24.353 0.000 -1.202) 24.383 10.774 ( -19.660 0.000 -4.886) 20.258 11.460 ( 4.651 0.000 -2.956) 5.511 11.535 ( -2.628 0.000 -0.459) 2.668 17.481 ( 18.017 0.000 3.375) 18.330 17.689 ( 2.410 0.000 4.216) 4.856 18.329 ( -7.523 0.000 -1.625) 7.696 18.474 ( -16.836 0.000 -1.694) 16.921 20.035 ( -0.706 0.000 6.985) 7.021 20.046 ( -2.003 0.000 6.619) 6.915 20.473 ( 5.540 0.000 -7.517) 9.338 20.608 ( -7.429 0.000 -8.090) 10.983 ======================= Grid point 132 (43/324) ======================= q-point: ( 0.00 0.09 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 0.000 21.457 24.848) 32.831 1.016 ( 0.000 31.211 20.294) 37.228 1.572 ( 0.000 29.074 49.492) 57.400 5.388 ( 0.000 -7.531 10.728) 13.107 6.306 ( 0.000 -12.160 -0.558) 12.172 6.505 ( 0.000 -3.146 -0.466) 3.180 8.162 ( 0.000 9.783 13.076) 16.331 10.787 ( 0.000 -15.571 -3.066) 15.870 11.596 ( 0.000 12.248 0.062) 12.248 11.749 ( 0.000 2.740 -8.516) 8.946 16.315 ( 0.000 5.028 0.886) 5.106 17.022 ( 0.000 3.238 1.531) 3.582 19.760 ( 0.000 -8.852 -4.930) 10.133 19.957 ( 0.000 -15.054 3.738) 15.511 20.098 ( 0.000 -7.432 7.307) 10.422 20.158 ( 0.000 -0.609 -6.060) 6.091 20.623 ( 0.000 -1.281 4.212) 4.402 21.179 ( 0.000 3.279 -15.028) 15.382 ======================= Grid point 133 (44/324) ======================= q-point: ( 0.09 0.09 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 0.424 12.511 26.835) 29.611 1.228 ( 18.966 14.371 29.204) 37.672 2.051 ( 34.466 33.450 31.715) 57.556 5.330 ( -5.683 -7.217 9.969) 13.556 6.283 ( -2.151 -10.843 0.680) 11.075 6.380 ( -11.934 -2.609 -0.322) 12.220 8.309 ( 13.513 5.976 12.048) 19.064 10.812 ( 2.203 -16.344 -3.193) 16.798 11.559 ( -3.031 8.434 -2.720) 9.366 11.776 ( 2.102 7.375 -5.821) 9.628 16.351 ( 3.581 3.056 1.200) 4.859 17.069 ( 4.617 5.390 1.766) 7.313 19.613 ( -12.830 -12.780 -3.703) 18.484 19.859 ( -6.296 -4.530 -0.318) 7.763 20.063 ( -0.036 -1.143 4.466) 4.610 20.313 ( 5.830 -8.962 -4.909) 11.765 20.566 ( -5.190 -0.711 4.090) 6.647 21.114 ( -4.523 3.202 -11.282) 12.570 ======================= Grid point 134 (45/324) ======================= q-point: ( 0.18 0.09 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 30.237 -11.130 11.507) 34.213 1.720 ( 28.097 6.125 25.206) 38.240 2.792 ( 37.086 33.001 22.615) 54.551 5.155 ( -11.594 -6.358 8.077) 15.495 6.039 ( -20.019 -4.584 1.467) 20.590 6.224 ( -4.686 -5.023 1.563) 7.045 8.666 ( 20.564 -1.860 9.696) 22.811 10.861 ( 2.020 -19.090 -3.121) 19.448 11.495 ( -2.688 6.413 -5.420) 8.817 11.816 ( 1.607 12.749 -3.123) 13.225 16.461 ( 7.216 -1.739 1.959) 7.677 17.211 ( 9.294 10.551 2.296) 14.247 19.289 ( -18.474 -15.392 -3.257) 24.266 19.694 ( -10.372 2.861 -3.161) 11.214 20.071 ( 0.561 -0.671 4.870) 4.948 20.356 ( -1.544 -5.801 -2.532) 6.515 20.442 ( -5.718 0.747 1.721) 6.018 21.024 ( -4.596 1.432 -9.298) 10.471 ======================= Grid point 135 (46/324) ======================= q-point: ( 0.27 0.09 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 36.140 -12.741 1.650) 38.355 2.341 ( 32.277 -1.150 21.684) 38.902 3.539 ( 35.864 29.855 17.452) 49.820 4.856 ( -17.736 -5.138 5.814) 19.359 5.577 ( -24.998 -6.628 3.408) 26.085 6.080 ( -9.802 0.672 2.911) 10.247 9.119 ( 23.351 -10.217 6.738) 26.364 10.861 ( -2.933 -24.374 -3.272) 24.767 11.474 ( 1.090 9.507 -6.121) 11.360 11.835 ( 0.133 16.069 -1.886) 16.179 16.649 ( 11.340 -7.117 2.813) 13.680 17.441 ( 12.912 15.501 2.814) 20.370 18.876 ( -21.499 -16.214 -2.391) 27.034 19.435 ( -14.905 8.937 -3.709) 17.771 20.079 ( 0.002 -0.030 5.830) 5.830 20.252 ( -6.610 -0.882 4.742) 8.183 20.386 ( -0.613 0.315 -5.398) 5.442 20.916 ( -6.075 0.860 -8.900) 10.810 ======================= Grid point 136 (47/324) ======================= q-point: ( 0.36 0.09 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 35.699 -8.572 -1.340) 36.738 3.019 ( 33.918 -7.292 17.760) 38.974 4.239 ( 31.721 24.535 13.526) 42.322 4.435 ( -22.756 -3.505 3.914) 23.354 5.029 ( -28.562 -9.394 5.943) 30.648 5.815 ( -16.384 7.065 4.738) 18.461 9.600 ( 23.404 -17.567 3.422) 29.462 10.723 ( -10.498 -27.355 -3.359) 29.492 11.541 ( 5.062 12.980 -5.153) 14.855 11.818 ( -1.895 17.321 -1.860) 17.524 16.926 ( 15.772 -11.291 3.374) 19.688 17.699 ( 10.061 14.114 3.389) 17.661 18.459 ( -16.789 -11.577 -1.767) 20.470 19.096 ( -17.965 14.100 -3.024) 23.037 20.066 ( -1.124 0.596 6.618) 6.739 20.133 ( -4.730 1.074 6.089) 7.785 20.406 ( 2.682 1.396 -6.902) 7.535 20.778 ( -7.304 1.275 -8.636) 11.382 ======================= Grid point 137 (48/324) ======================= q-point: ( 0.45 0.09 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( 32.941 -4.902 -1.143) 33.324 3.689 ( 25.382 -9.540 9.650) 28.782 3.914 ( -20.704 -4.924 5.367) 21.948 4.394 ( -30.834 -10.885 10.592) 34.372 4.889 ( 27.732 18.935 9.533) 34.906 5.413 ( -22.949 13.370 7.077) 27.486 10.057 ( 21.032 -23.122 0.253) 31.257 10.444 ( -16.621 -26.517 -2.181) 31.372 11.655 ( 5.630 15.187 -3.850) 16.648 11.757 ( -4.087 16.809 -2.658) 17.502 17.285 ( 19.083 -13.191 3.456) 23.454 17.659 ( -14.809 -7.995 3.549) 17.199 18.391 ( 10.945 11.996 -1.494) 16.307 18.719 ( -18.489 17.034 -1.906) 25.211 20.047 ( -0.328 1.281 6.709) 6.838 20.064 ( -2.053 1.687 6.690) 7.199 20.493 ( 5.671 1.946 -7.622) 9.698 20.627 ( -7.249 1.823 -8.194) 11.092 ======================= Grid point 143 (49/324) ======================= q-point: ( 0.00 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 0.000 23.072 24.040) 33.320 1.703 ( 0.000 35.947 12.932) 38.202 2.319 ( 0.000 42.300 29.138) 51.364 5.164 ( 0.000 -14.867 9.594) 17.694 5.970 ( 0.000 -20.455 1.619) 20.519 6.404 ( 0.000 -7.238 1.045) 7.314 8.403 ( 0.000 13.387 10.973) 17.310 10.448 ( 0.000 -17.650 -0.281) 17.652 11.826 ( 0.000 4.877 -8.201) 9.542 11.836 ( 0.000 11.118 -2.398) 11.373 16.468 ( 0.000 10.348 1.889) 10.519 17.121 ( 0.000 6.768 1.916) 7.034 19.514 ( 0.000 -15.335 -5.384) 16.253 19.594 ( 0.000 -19.872 1.354) 19.918 20.020 ( 0.000 -3.181 5.832) 6.643 20.127 ( 0.000 -2.569 -2.356) 3.485 20.595 ( 0.000 -1.247 1.641) 2.061 21.160 ( 0.000 -3.953 -11.763) 12.410 ======================= Grid point 144 (50/324) ======================= q-point: ( 0.09 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -15.641 33.051 16.737) 40.214 1.585 ( 10.033 22.236 28.895) 37.816 2.799 ( 33.298 39.417 19.337) 55.104 5.115 ( -4.800 -14.277 9.040) 17.567 5.967 ( -1.146 -20.100 2.163) 20.249 6.304 ( -8.813 -5.199 1.086) 10.290 8.464 ( 5.806 9.009 10.598) 15.073 10.453 ( 0.199 -18.894 -0.259) 18.897 11.718 ( -4.542 7.864 -5.973) 10.870 11.956 ( 5.853 9.400 -4.690) 12.026 16.451 ( -1.003 7.134 2.181) 7.527 17.225 ( 9.582 10.176 1.893) 14.105 19.286 ( -15.365 -19.460 -2.866) 24.960 19.688 ( 2.671 -12.120 -1.770) 12.536 20.028 ( 0.888 -2.355 5.550) 6.094 20.180 ( 3.880 -4.965 -2.661) 6.841 20.553 ( -3.773 -0.371 1.351) 4.024 21.116 ( -3.694 -2.597 -10.669) 11.585 ======================= Grid point 145 (51/324) ======================= q-point: ( 0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 9.411 16.803 18.322) 26.582 1.949 ( 22.641 15.891 24.830) 37.170 3.497 ( 34.070 35.977 13.879) 51.456 4.966 ( -9.947 -12.519 7.529) 17.673 5.817 ( -16.052 -17.690 4.691) 24.343 6.153 ( -3.527 -2.110 0.165) 4.113 8.629 ( 10.097 -1.492 9.451) 13.910 10.437 ( -2.362 -22.554 -0.205) 22.679 11.663 ( -0.536 9.922 -6.214) 11.720 12.062 ( 4.342 11.019 -4.411) 12.638 16.454 ( 1.833 1.707 2.796) 3.754 17.480 ( 14.621 15.631 1.953) 21.492 18.931 ( -19.063 -20.064 -2.316) 27.772 19.682 ( -3.104 -4.053 -3.127) 5.986 20.054 ( 1.450 -1.123 5.576) 5.870 20.237 ( 1.112 -5.467 -1.334) 5.736 20.466 ( -4.055 1.728 -0.375) 4.424 21.030 ( -4.591 -1.075 -9.463) 10.573 ======================= Grid point 146 (52/324) ======================= q-point: ( 0.27 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 31.501 -3.175 9.590) 33.081 2.460 ( 26.789 11.090 21.992) 36.391 4.168 ( 31.453 31.659 10.288) 45.798 4.705 ( -15.737 -9.890 5.152) 19.288 5.370 ( -25.973 -14.268 7.879) 30.664 6.099 ( -3.698 1.056 0.032) 3.846 8.870 ( 13.497 -13.456 7.636) 20.531 10.339 ( -7.434 -27.288 -0.210) 28.284 11.703 ( 4.389 12.774 -5.962) 14.765 12.127 ( 1.938 12.590 -4.288) 13.440 16.540 ( 6.824 -3.035 3.362) 8.190 17.782 ( 13.142 16.745 2.334) 21.414 18.541 ( -17.452 -16.077 -1.884) 23.803 19.566 ( -8.142 3.998 -3.802) 9.835 20.079 ( 0.863 0.046 6.003) 6.065 20.218 ( -2.643 -2.250 3.082) 4.642 20.419 ( -0.213 2.945 -4.630) 5.492 20.928 ( -5.405 0.156 -9.061) 10.552 ======================= Grid point 147 (53/324) ======================= q-point: ( 0.36 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 37.206 -10.324 3.156) 38.740 3.023 ( 28.139 5.783 20.295) 35.173 4.315 ( -22.674 -7.519 1.633) 23.944 4.734 ( 3.922 10.659 11.001) 15.812 4.838 ( -5.700 2.809 9.170) 11.157 5.965 ( -9.765 7.339 0.773) 12.240 9.174 ( 16.090 -23.384 5.319) 28.879 10.136 ( -12.297 -30.752 0.094) 33.119 11.825 ( 7.027 14.539 -5.438) 17.039 12.136 ( -1.089 13.864 -4.358) 14.573 16.737 ( 12.451 -7.006 3.592) 14.731 17.814 ( -13.463 -6.181 2.739) 15.065 18.423 ( 9.395 10.848 -1.688) 14.449 19.355 ( -12.448 11.333 -3.549) 17.204 20.085 ( -0.181 1.221 6.157) 6.280 20.156 ( -2.902 1.150 5.872) 6.651 20.453 ( 3.422 3.428 -7.073) 8.573 20.809 ( -6.291 1.610 -8.846) 10.974 ======================= Grid point 148 (54/324) ======================= q-point: ( 0.45 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.065 ( 36.189 -10.903 -0.878) 37.806 3.583 ( 21.991 -0.999 15.597) 26.979 3.785 ( -24.531 -8.174 2.391) 25.967 4.193 ( -28.779 -8.040 18.446) 35.116 5.295 ( 22.590 20.335 4.463) 30.720 5.696 ( -16.590 14.003 2.331) 21.834 9.514 ( 16.911 -29.518 2.978) 34.149 9.848 ( -15.571 -31.751 1.142) 35.382 11.969 ( 6.620 15.041 -4.957) 17.164 12.082 ( -4.237 14.725 -4.593) 15.996 17.044 ( 17.463 -10.346 3.367) 20.575 17.434 ( -20.242 -12.398 2.844) 23.907 18.727 ( 17.029 19.143 -1.698) 25.677 19.066 ( -15.723 16.890 -2.644) 23.227 20.084 ( 0.417 2.317 6.288) 6.715 20.107 ( -1.834 2.514 6.547) 7.249 20.549 ( 5.704 3.573 -7.925) 10.398 20.676 ( -6.559 2.921 -8.466) 11.101 ======================= Grid point 154 (55/324) ======================= q-point: ( 0.00 0.27 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 0.000 27.479 18.982) 33.398 2.423 ( 0.000 35.756 9.758) 37.064 3.183 ( 0.000 43.196 19.721) 47.485 4.797 ( 0.000 -21.673 8.624) 23.326 5.517 ( 0.000 -24.514 3.280) 24.732 6.206 ( 0.000 -12.828 3.020) 13.179 8.675 ( 0.000 13.521 9.275) 16.397 10.097 ( 0.000 -17.257 1.813) 17.352 11.936 ( 0.000 5.908 -7.757) 9.750 12.027 ( 0.000 7.806 -3.958) 8.752 16.730 ( 0.000 15.879 2.969) 16.154 17.296 ( 0.000 10.773 2.142) 10.984 19.157 ( 0.000 -23.871 0.111) 23.872 19.161 ( 0.000 -19.698 -4.672) 20.245 19.957 ( 0.000 -3.020 5.664) 6.419 20.059 ( 0.000 -4.046 1.274) 4.242 20.583 ( 0.000 0.214 -1.694) 1.708 21.051 ( 0.000 -6.461 -9.958) 11.870 ======================= Grid point 155 (56/324) ======================= q-point: ( 0.09 0.27 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -1.973 30.336 12.582) 32.901 2.149 ( -9.415 34.043 21.375) 41.285 3.585 ( 29.115 38.567 13.927) 50.289 4.763 ( -3.356 -20.793 8.196) 22.600 5.503 ( -2.203 -25.856 4.117) 26.274 6.160 ( -3.771 -9.625 2.445) 10.623 8.656 ( -1.606 10.104 9.257) 13.797 10.074 ( -2.534 -18.804 1.944) 19.073 11.880 ( -2.454 8.217 -6.756) 10.917 12.121 ( 6.207 6.720 -5.030) 10.439 16.643 ( -6.151 12.191 3.190) 14.022 17.471 ( 14.659 14.223 1.934) 20.516 18.851 ( -16.457 -23.717 -1.595) 28.911 19.394 ( 9.437 -16.982 -3.087) 19.672 19.976 ( 1.855 -2.592 5.813) 6.629 20.089 ( 2.570 -4.399 1.009) 5.194 20.559 ( -2.094 1.098 -2.048) 3.128 21.031 ( -1.857 -5.495 -9.622) 11.235 ======================= Grid point 156 (57/324) ======================= q-point: ( 0.18 0.27 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -7.509 34.085 14.093) 37.640 2.333 ( 17.585 22.106 21.824) 35.696 4.198 ( 29.802 33.675 9.545) 45.970 4.657 ( -7.167 -18.227 6.958) 20.784 5.368 ( -12.294 -26.577 6.894) 30.083 6.103 ( -0.807 -3.623 0.639) 3.766 8.623 ( -1.211 1.303 9.108) 9.280 9.980 ( -6.929 -22.795 2.224) 23.929 11.874 ( 2.067 10.810 -6.538) 12.802 12.242 ( 5.352 6.873 -5.300) 10.196 16.544 ( -2.858 7.452 3.503) 8.716 17.809 ( 16.598 16.356 1.894) 23.380 18.508 ( -15.959 -21.302 -1.397) 26.653 19.540 ( 4.887 -9.838 -3.792) 11.621 20.026 ( 2.784 -1.501 5.995) 6.778 20.143 ( 2.331 -4.058 1.443) 4.897 20.514 ( -1.948 3.102 -3.318) 4.943 20.982 ( -2.826 -3.525 -9.160) 10.214 ======================= Grid point 157 (58/324) ======================= q-point: ( 0.27 0.27 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 15.211 19.301 12.654) 27.641 2.741 ( 21.606 16.473 19.758) 33.594 4.462 ( -12.342 -14.432 4.408) 19.494 4.772 ( 25.400 27.557 6.597) 38.054 5.009 ( -20.970 -20.908 10.911) 31.558 6.114 ( 0.768 0.196 -0.811) 1.134 8.627 ( 2.057 -9.940 8.628) 13.322 9.789 ( -11.643 -27.315 2.611) 29.807 11.959 ( 5.945 12.385 -6.288) 15.108 12.330 ( 3.090 7.646 -5.462) 9.892 16.541 ( 2.675 3.162 3.636) 5.512 17.923 ( -11.400 -8.896 2.386) 14.656 18.407 ( 11.849 8.886 -1.904) 14.933 19.591 ( -0.017 -1.541 -4.135) 4.413 20.079 ( 2.198 -0.050 5.910) 6.306 20.175 ( 0.756 -1.906 3.594) 4.138 20.497 ( 0.558 4.680 -5.591) 7.313 20.917 ( -3.579 -1.352 -9.036) 9.813 ======================= Grid point 158 (59/324) ======================= q-point: ( 0.36 0.27 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 29.512 4.149 7.940) 30.842 3.192 ( 22.224 10.340 18.624) 30.784 4.127 ( -21.544 -11.440 -0.083) 24.393 4.517 ( -23.536 -14.433 17.589) 32.736 5.279 ( 22.004 23.143 3.642) 32.141 6.092 ( -3.650 5.124 -1.104) 6.387 8.722 ( 7.452 -20.631 7.580) 23.209 9.518 ( -14.582 -30.514 3.317) 33.982 12.098 ( 7.183 12.411 -6.037) 15.559 12.363 ( 0.053 8.755 -5.607) 10.396 16.655 ( 8.464 -1.192 3.492) 9.233 17.576 ( -18.949 -14.431 2.116) 23.912 18.753 ( 18.304 18.784 -1.817) 26.290 19.537 ( -5.350 6.604 -3.987) 9.388 20.113 ( 1.199 1.515 5.674) 5.994 20.177 ( -0.497 0.842 5.744) 5.827 20.539 ( 3.504 4.978 -7.518) 9.673 20.835 ( -4.458 0.883 -9.018) 10.098 ======================= Grid point 159 (60/324) ======================= q-point: ( 0.45 0.27 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( 33.760 -4.979 3.657) 34.320 3.551 ( -21.722 -6.518 1.919) 22.760 3.662 ( 11.657 0.037 16.797) 20.446 4.070 ( -20.734 -4.814 19.543) 28.897 5.675 ( 16.634 17.344 1.416) 24.074 5.951 ( -10.307 11.190 -0.267) 15.216 8.928 ( 12.440 -28.053 6.045) 31.277 9.212 ( -14.949 -31.137 4.494) 34.831 12.235 ( 5.951 11.425 -5.863) 14.154 12.330 ( -3.215 10.075 -5.735) 12.030 16.881 ( 13.615 -5.867 3.092) 15.145 17.201 ( -17.407 -10.646 2.562) 20.565 19.103 ( 15.483 17.744 -2.555) 23.687 19.372 ( -10.752 13.350 -3.390) 17.474 20.135 ( 1.100 2.626 5.876) 6.529 20.159 ( -1.140 2.486 6.225) 6.799 20.630 ( 5.084 4.314 -8.388) 10.715 20.736 ( -5.174 2.892 -8.818) 10.625 ======================= Grid point 165 (61/324) ======================= q-point: ( 0.00 0.36 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 0.000 30.979 14.189) 34.074 3.123 ( 0.000 34.093 7.852) 34.985 4.016 ( 0.000 39.431 14.582) 42.041 4.305 ( 0.000 -27.251 8.482) 28.540 5.002 ( 0.000 -26.667 4.510) 27.045 5.881 ( 0.000 -19.830 5.255) 20.514 8.939 ( 0.000 12.968 7.876) 15.172 9.765 ( 0.000 -15.803 3.621) 16.212 12.052 ( 0.000 5.441 -7.238) 9.056 12.144 ( 0.000 3.828 -5.096) 6.374 17.100 ( 0.000 21.028 3.622) 21.338 17.552 ( 0.000 14.819 2.010) 14.955 18.649 ( 0.000 -26.517 0.527) 26.523 18.743 ( 0.000 -21.633 -3.215) 21.871 19.906 ( 0.000 -1.905 5.565) 5.882 19.976 ( 0.000 -3.936 3.698) 5.401 20.608 ( 0.000 2.314 -4.473) 5.036 20.915 ( 0.000 -6.957 -8.814) 11.229 ======================= Grid point 166 (62/324) ======================= q-point: ( 0.09 0.36 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 4.371 30.251 11.644) 32.708 2.875 ( -16.219 37.117 14.105) 42.892 4.285 ( 2.407 -17.100 7.956) 19.013 4.325 ( 19.382 24.910 10.678) 33.320 4.950 ( -5.140 -28.737 6.018) 29.806 5.908 ( 2.609 -15.841 3.963) 16.537 8.868 ( -6.629 11.145 8.077) 15.277 9.711 ( -5.483 -17.349 3.849) 18.598 12.038 ( 0.148 7.364 -6.799) 10.024 12.216 ( 5.461 2.730 -5.609) 8.291 16.940 ( -10.656 17.510 3.726) 20.834 17.783 ( 16.882 16.349 2.062) 23.591 18.360 ( -15.189 -24.360 -0.532) 28.713 19.022 ( 14.812 -19.921 -2.870) 24.990 19.933 ( 2.511 -1.626 5.651) 6.394 20.005 ( 2.632 -3.843 3.668) 5.929 20.600 ( -0.673 2.955 -4.735) 5.622 20.910 ( -0.477 -6.388 -8.716) 10.816 ======================= Grid point 167 (63/324) ======================= q-point: ( 0.18 0.36 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( -11.010 37.397 8.601) 39.921 2.823 ( 10.617 26.822 19.916) 35.054 4.242 ( -3.664 -23.200 6.348) 24.331 4.738 ( -0.822 -16.957 9.365) 19.389 4.866 ( 14.293 13.861 7.028) 21.114 5.986 ( 4.868 -8.565 1.432) 9.955 8.693 ( -9.735 5.991 8.611) 14.311 9.540 ( -11.176 -20.909 4.422) 24.117 12.079 ( 3.856 9.433 -6.654) 12.171 12.333 ( 5.577 2.189 -5.899) 8.408 16.754 ( -6.963 13.566 3.822) 15.721 17.912 ( -11.811 -15.762 2.930) 19.913 18.305 ( 16.585 10.854 -1.854) 19.908 19.300 ( 12.161 -14.025 -3.871) 18.962 20.001 ( 3.900 -0.889 5.699) 6.963 20.071 ( 3.590 -3.131 3.979) 6.207 20.589 ( -0.203 4.356 -5.546) 7.055 20.896 ( -0.853 -4.929 -8.639) 9.983 ======================= Grid point 168 (64/324) ======================= q-point: ( 0.27 0.36 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 1.375 32.043 10.257) 33.672 3.103 ( 15.338 19.503 18.209) 30.776 4.123 ( -8.812 -19.939 2.744) 21.972 4.499 ( -14.459 -27.223 15.044) 34.300 5.307 ( 21.262 23.590 3.654) 31.968 6.091 ( 4.896 -3.042 -0.551) 5.791 8.503 ( -8.122 -1.854 9.209) 12.418 9.267 ( -15.176 -24.417 5.266) 29.227 12.185 ( 6.105 9.946 -6.564) 13.390 12.432 ( 3.939 2.605 -6.132) 7.740 16.666 ( -1.652 9.278 3.624) 10.097 17.602 ( -16.025 -18.858 2.261) 24.850 18.717 ( 20.807 17.616 -1.988) 27.335 19.507 ( 7.926 -6.755 -4.351) 11.287 20.080 ( 3.631 0.210 5.486) 6.582 20.141 ( 3.029 -1.557 4.955) 6.012 20.599 ( 1.324 5.396 -6.847) 8.818 20.874 ( -1.342 -2.930 -8.804) 9.375 ======================= Grid point 169 (65/324) ======================= q-point: ( 0.36 0.36 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 15.701 18.663 8.385) 25.791 3.420 ( 15.308 12.226 17.599) 26.335 3.843 ( -18.889 -17.391 0.089) 25.676 4.221 ( -12.194 -14.739 19.165) 27.078 5.696 ( 16.606 18.206 1.335) 24.678 6.162 ( 1.529 1.631 -1.551) 2.721 8.393 ( -2.006 -11.269 9.435) 14.833 8.943 ( -15.999 -26.246 6.397) 31.396 12.313 ( 6.112 8.993 -6.512) 12.675 12.487 ( 1.345 3.736 -6.325) 7.468 16.686 ( 3.582 4.239 3.205) 6.409 17.287 ( -14.613 -14.074 2.219) 20.409 19.113 ( 17.514 16.496 -2.731) 24.214 19.612 ( 2.097 0.802 -4.265) 4.820 20.143 ( 2.540 1.464 5.352) 6.102 20.188 ( 1.527 0.290 5.815) 6.019 20.643 ( 2.960 5.221 -8.144) 10.117 20.839 ( -2.175 -0.624 -9.063) 9.341 ======================= Grid point 170 (66/324) ======================= q-point: ( 0.45 0.36 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( 23.536 3.979 5.443) 24.483 3.385 ( -24.440 -8.591 2.451) 26.022 3.721 ( 13.692 4.097 17.745) 22.785 3.982 ( -11.945 -4.292 18.360) 22.320 5.977 ( 10.895 12.704 -0.418) 16.741 6.135 ( -4.468 7.021 -1.481) 8.452 8.437 ( 6.344 -19.894 8.900) 22.698 8.640 ( -13.037 -25.074 7.720) 29.296 12.422 ( 4.365 7.260 -6.492) 10.672 12.484 ( -1.634 5.370 -6.445) 8.547 16.808 ( 8.196 -1.594 2.739) 8.787 17.015 ( -11.921 -7.924 2.383) 14.511 19.414 ( 11.789 13.048 -3.390) 17.909 19.585 ( -4.839 7.668 -3.898) 9.870 20.184 ( 1.475 2.152 5.579) 6.159 20.202 ( -0.188 1.716 5.892) 6.139 20.713 ( 3.652 3.819 -8.903) 10.353 20.784 ( -3.171 1.729 -9.151) 9.838 ======================= Grid point 176 (67/324) ======================= q-point: ( 0.00 0.45 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( 0.000 32.274 10.721) 34.008 3.684 ( 0.000 -16.850 6.150) 17.938 3.818 ( 0.000 17.683 9.679) 20.158 4.390 ( 0.000 -25.453 6.608) 26.297 4.807 ( 0.000 30.347 10.059) 31.971 5.410 ( 0.000 -27.337 7.757) 28.417 9.197 ( 0.000 13.036 6.571) 14.599 9.467 ( 0.000 -14.113 5.193) 15.038 12.143 ( 0.000 3.412 -6.654) 7.478 12.180 ( 0.000 -0.130 -5.964) 5.965 17.560 ( 0.000 24.552 3.766) 24.839 17.867 ( 0.000 13.022 2.825) 13.325 18.131 ( 0.000 -21.397 -0.139) 21.398 18.315 ( 0.000 -20.684 -1.759) 20.759 19.887 ( 0.000 0.090 5.379) 5.380 19.911 ( 0.000 -2.344 4.895) 5.427 20.676 ( 0.000 4.428 -6.385) 7.770 20.782 ( 0.000 -6.124 -7.728) 9.860 ======================= Grid point 177 (68/324) ======================= q-point: ( 0.09 0.45 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( 3.314 30.989 9.551) 32.596 3.592 ( -11.722 28.991 9.036) 32.550 3.741 ( -1.080 -23.104 9.932) 25.172 4.293 ( -8.907 -32.166 8.508) 34.444 4.997 ( 16.036 28.870 7.800) 33.933 5.521 ( 9.580 -22.938 5.759) 25.517 9.106 ( -8.592 12.858 6.872) 16.923 9.385 ( -7.868 -15.125 5.489) 17.911 12.164 ( 2.397 4.973 -6.552) 8.568 12.229 ( 4.161 -1.408 -6.137) 7.547 17.337 ( -14.017 21.967 3.604) 26.306 17.796 ( -14.552 -22.123 3.448) 26.704 18.216 ( 18.393 17.111 -1.382) 25.159 18.612 ( 18.544 -20.768 -1.854) 27.904 19.917 ( 2.879 0.198 5.419) 6.139 19.942 ( 2.891 -2.277 4.935) 6.156 20.677 ( 0.153 4.694 -6.526) 8.040 20.784 ( 0.223 -5.968 -7.757) 9.790 ======================= Grid point 178 (69/324) ======================= q-point: ( 0.18 0.45 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.126 ( -5.357 33.479 4.445) 34.195 3.408 ( -0.821 31.758 18.393) 36.709 3.735 ( -1.348 -27.333 5.428) 27.900 4.089 ( -9.435 -34.764 13.982) 38.640 5.362 ( 18.327 22.883 4.342) 29.638 5.747 ( 11.695 -15.574 2.624) 19.652 8.869 ( -13.978 11.674 7.723) 19.781 9.158 ( -14.034 -17.027 6.305) 22.949 12.240 ( 4.863 6.445 -6.570) 10.409 12.330 ( 5.384 -2.409 -6.311) 8.638 17.080 ( -10.769 18.811 3.639) 21.978 17.493 ( -14.177 -21.993 3.057) 26.344 18.635 ( 21.256 18.124 -1.981) 28.004 18.988 ( 17.912 -16.888 -3.073) 24.809 19.996 ( 4.529 0.459 5.462) 7.110 20.020 ( 4.446 -1.951 5.137) 7.068 20.685 ( 0.685 5.166 -6.980) 8.710 20.791 ( 0.452 -5.408 -7.942) 9.619 ======================= Grid point 179 (70/324) ======================= q-point: ( 0.27 0.45 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.973 ( -6.136 34.945 6.237) 36.024 3.512 ( 7.794 21.320 17.855) 28.880 3.634 ( -8.645 -29.552 1.970) 30.854 3.967 ( -2.522 -24.678 18.660) 31.042 5.714 ( 15.789 16.794 1.619) 23.108 5.973 ( 10.066 -9.191 0.218) 13.633 8.568 ( -14.750 8.479 8.913) 19.207 8.837 ( -16.790 -18.021 7.509) 25.749 12.349 ( 5.533 6.400 -6.646) 10.758 12.436 ( 4.737 -2.147 -6.505) 8.328 16.905 ( -6.437 14.371 3.330) 16.095 17.230 ( -11.537 -17.844 2.818) 21.434 19.052 ( 19.128 15.487 -2.982) 24.792 19.324 ( 14.561 -11.503 -3.935) 18.969 20.090 ( 4.468 0.819 5.425) 7.076 20.112 ( 4.308 -1.318 5.491) 7.102 20.706 ( 1.404 5.183 -7.754) 9.432 20.801 ( 0.485 -4.277 -8.380) 9.421 ======================= Grid point 180 (71/324) ======================= q-point: ( 0.36 0.45 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( 1.545 25.214 6.211) 26.013 3.427 ( -10.814 -23.838 3.004) 26.348 3.673 ( 7.500 12.999 17.349) 22.939 3.938 ( -1.266 -13.601 18.075) 22.656 5.993 ( 11.430 11.320 -0.320) 16.090 6.144 ( 6.395 -3.877 -1.267) 7.585 8.303 ( -10.331 2.749 10.058) 14.678 8.504 ( -15.088 -16.798 8.907) 24.273 12.454 ( 4.510 5.106 -6.744) 9.586 12.515 ( 2.843 -0.884 -6.689) 7.321 16.817 ( -2.181 8.662 2.844) 9.374 17.025 ( -8.498 -11.941 2.496) 14.867 19.395 ( 14.085 11.520 -3.633) 18.555 19.566 ( 8.799 -5.443 -4.189) 11.162 20.170 ( 3.198 1.138 5.413) 6.390 20.186 ( 2.842 -0.501 5.691) 6.381 20.740 ( 1.803 4.237 -8.646) 9.796 20.808 ( 0.040 -2.506 -8.946) 9.290 ======================= Grid point 181 (72/324) ======================= q-point: ( 0.45 0.45 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( 7.536 8.948 5.040) 12.738 3.209 ( -10.244 -9.167 3.948) 14.302 3.807 ( 5.522 4.425 17.269) 18.662 3.895 ( -3.131 -4.382 17.483) 18.294 6.170 ( 5.711 6.273 -1.513) 8.617 6.220 ( 0.817 1.189 -1.863) 2.356 8.178 ( -1.363 -5.019 10.609) 11.815 8.255 ( -8.561 -12.384 10.133) 18.147 12.526 ( 2.364 3.135 -6.818) 7.867 12.547 ( 0.285 1.000 -6.805) 6.885 16.813 ( 1.713 2.011 2.453) 3.605 16.885 ( -5.239 -5.075 2.329) 7.656 19.612 ( 6.900 6.519 -3.927) 10.273 19.670 ( 1.229 0.729 -4.089) 4.331 20.217 ( 1.369 1.045 5.501) 5.764 20.223 ( 0.744 0.400 5.633) 5.696 20.775 ( 1.577 2.270 -9.271) 9.675 20.800 ( -0.814 -0.199 -9.345) 9.382 ======================= Grid point 242 (73/324) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 0.000 0.000 31.414) 31.414 1.272 ( 0.000 0.000 33.019) 33.019 2.546 ( 0.000 0.000 63.570) 63.570 5.782 ( 0.000 0.000 20.447) 20.447 6.414 ( 0.000 0.000 -0.700) 0.700 6.504 ( 0.000 0.000 -2.109) 2.109 8.460 ( 0.000 0.000 25.702) 25.702 10.795 ( 0.000 0.000 -12.587) 12.587 11.474 ( 0.000 0.000 -15.875) 15.875 11.527 ( 0.000 0.000 6.248) 6.248 16.282 ( 0.000 0.000 1.359) 1.359 17.020 ( 0.000 0.000 1.518) 1.518 19.746 ( 0.000 0.000 -6.276) 6.276 19.931 ( 0.000 0.000 -14.998) 14.998 20.136 ( 0.000 0.000 0.923) 0.923 20.283 ( 0.000 0.000 -2.222) 2.222 20.766 ( 0.000 0.000 7.388) 7.388 20.773 ( 0.000 0.000 -17.588) 17.588 ======================= Grid point 243 (74/324) ======================= q-point: ( 0.09 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 7.797 0.000 31.437) 32.389 1.457 ( 21.712 0.000 26.129) 33.973 2.758 ( 19.205 0.000 58.474) 61.547 5.689 ( -8.784 0.000 17.728) 19.785 6.381 ( -11.416 0.000 -1.315) 11.491 6.413 ( -0.541 0.000 1.913) 1.988 8.607 ( 13.437 0.000 22.993) 26.632 10.828 ( 3.163 0.000 -12.342) 12.741 11.377 ( -6.196 0.000 -11.928) 13.441 11.605 ( 4.126 0.000 2.172) 4.663 16.347 ( 6.259 0.000 1.793) 6.511 17.055 ( 3.440 0.000 2.184) 4.075 19.658 ( -8.423 0.000 -6.007) 10.346 19.768 ( -12.413 0.000 -10.914) 16.529 20.145 ( -0.045 0.000 0.337) 0.340 20.321 ( 2.041 0.000 -3.494) 4.046 20.671 ( -6.036 0.000 -0.860) 6.097 20.805 ( 0.025 0.000 -8.992) 8.992 ======================= Grid point 244 (75/324) ======================= q-point: ( 0.18 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 20.100 0.000 24.171) 31.436 2.008 ( 30.608 0.000 18.709) 35.873 3.256 ( 28.204 0.000 49.691) 57.137 5.440 ( -15.357 0.000 13.134) 20.208 6.073 ( -18.104 0.000 0.105) 18.104 6.371 ( -4.066 0.000 6.588) 7.742 8.960 ( 20.124 0.000 16.968) 26.323 10.922 ( 5.962 0.000 -11.190) 12.679 11.240 ( -7.305 0.000 -14.862) 16.560 11.672 ( 2.311 0.000 4.714) 5.250 16.531 ( 11.662 0.000 2.938) 12.027 17.162 ( 7.105 0.000 3.798) 8.056 19.414 ( -15.196 0.000 -5.108) 16.032 19.487 ( -14.969 0.000 -8.866) 17.398 20.138 ( -0.360 0.000 -2.387) 2.414 20.337 ( -0.394 0.000 -0.094) 0.406 20.532 ( -7.295 0.000 2.281) 7.644 20.770 ( -3.436 0.000 -11.200) 11.715 ======================= Grid point 245 (76/324) ======================= q-point: ( 0.27 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 28.090 0.000 16.387) 32.520 2.662 ( 32.890 0.000 13.461) 35.538 3.866 ( 30.911 0.000 41.496) 51.744 5.071 ( -20.683 0.000 9.745) 22.864 5.661 ( -22.075 0.000 1.399) 22.119 6.233 ( -9.666 0.000 11.181) 14.780 9.395 ( 22.006 0.000 9.325) 23.900 11.066 ( 8.026 0.000 -8.749) 11.873 11.075 ( -9.004 0.000 -17.127) 19.349 11.693 ( -0.308 0.000 6.446) 6.454 16.816 ( 16.057 0.000 4.218) 16.602 17.345 ( 10.744 0.000 5.429) 12.038 19.055 ( -19.565 0.000 -3.589) 19.891 19.158 ( -17.211 0.000 -7.050) 18.599 20.139 ( 0.628 0.000 -5.838) 5.871 20.312 ( -1.832 0.000 4.189) 4.572 20.387 ( -6.615 0.000 5.263) 8.453 20.670 ( -6.146 0.000 -12.819) 14.216 ======================= Grid point 246 (77/324) ======================= q-point: ( 0.36 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 31.245 0.000 11.231) 33.203 3.328 ( 32.011 0.000 9.427) 33.370 4.493 ( 30.165 0.000 34.102) 45.529 4.604 ( -24.842 0.000 8.301) 26.192 5.178 ( -25.328 0.000 3.012) 25.507 5.972 ( -16.017 0.000 15.940) 22.598 9.839 ( 21.201 0.000 0.747) 21.214 10.866 ( -11.684 0.000 -17.100) 20.711 11.240 ( 8.800 0.000 -4.995) 10.119 11.657 ( -3.293 0.000 6.180) 7.003 17.177 ( 19.092 0.000 5.154) 19.776 17.592 ( 13.046 0.000 6.320) 14.496 18.637 ( -20.738 0.000 -2.054) 20.839 18.792 ( -18.335 0.000 -4.566) 18.895 20.169 ( 2.330 0.000 -7.606) 7.955 20.271 ( -1.890 0.000 6.065) 6.353 20.274 ( -4.222 0.000 7.767) 8.840 20.530 ( -7.353 0.000 -13.611) 15.470 ======================= Grid point 247 (78/324) ======================= q-point: ( 0.45 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.375 ( 30.705 0.000 7.975) 31.724 3.858 ( 2.629 0.000 4.387) 5.114 4.165 ( -0.887 0.000 10.228) 10.267 4.633 ( -27.757 0.000 5.482) 28.293 5.079 ( 27.012 0.000 27.301) 38.405 5.582 ( -22.076 0.000 21.275) 30.659 10.248 ( 18.652 0.000 -7.521) 20.111 10.593 ( -15.157 0.000 -13.864) 20.542 11.415 ( 8.067 0.000 -0.477) 8.081 11.560 ( -6.070 0.000 3.662) 7.089 17.575 ( 18.971 0.000 5.878) 19.861 17.806 ( 2.679 0.000 7.293) 7.770 18.288 ( -8.186 0.000 -2.402) 8.531 18.432 ( -15.958 0.000 -2.402) 16.138 20.210 ( 0.379 0.000 5.857) 5.870 20.219 ( -1.296 0.000 9.367) 9.457 20.271 ( 3.432 0.000 -8.230) 8.917 20.383 ( -6.739 0.000 -13.336) 14.942 ======================= Grid point 253 (79/324) ======================= q-point: ( 0.00 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 0.000 18.591 27.901) 33.528 1.511 ( 0.000 21.900 28.351) 35.825 2.686 ( 0.000 14.258 59.514) 61.198 5.687 ( 0.000 -9.303 18.669) 20.859 6.307 ( 0.000 -10.462 0.297) 10.466 6.497 ( 0.000 -1.065 -0.127) 1.072 8.537 ( 0.000 7.181 24.078) 25.126 10.676 ( 0.000 -10.587 -8.509) 13.583 11.505 ( 0.000 3.037 -15.689) 15.980 11.617 ( 0.000 7.594 2.398) 7.963 16.343 ( 0.000 6.076 2.025) 6.405 17.058 ( 0.000 3.730 1.841) 4.159 19.630 ( 0.000 -10.016 -8.070) 12.863 19.968 ( 0.000 -16.148 -3.246) 16.471 19.969 ( 0.000 2.351 -12.552) 12.771 20.216 ( 0.000 -3.010 6.177) 6.871 20.741 ( 0.000 -2.367 7.228) 7.605 20.839 ( 0.000 3.282 -19.277) 19.554 ======================= Grid point 254 (80/324) ======================= q-point: ( 0.09 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -0.331 8.779 31.581) 32.780 1.769 ( 17.880 20.197 26.235) 37.629 2.925 ( 21.102 16.560 52.384) 58.852 5.602 ( -8.144 -8.618 16.392) 20.231 6.309 ( -0.261 -9.438 1.765) 9.605 6.383 ( -10.586 -0.921 1.162) 10.689 8.652 ( 10.705 4.356 21.987) 24.839 10.701 ( 2.327 -11.267 -8.293) 14.182 11.418 ( -5.818 3.942 -12.853) 14.649 11.693 ( 4.803 7.553 -0.503) 8.965 16.387 ( 4.321 4.106 2.467) 6.451 17.112 ( 5.274 5.589 2.330) 8.030 19.499 ( -11.765 -12.426 -7.560) 18.707 19.801 ( -8.466 -1.357 -6.305) 10.643 20.079 ( 2.739 -5.395 -6.483) 8.868 20.251 ( 2.821 -4.172 3.101) 5.915 20.669 ( -5.953 -1.102 3.311) 6.900 20.833 ( -1.213 1.661 -14.153) 14.302 ======================= Grid point 255 (81/324) ======================= q-point: ( 0.18 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 17.804 -4.150 26.687) 32.348 2.209 ( 24.921 14.300 23.703) 37.248 3.451 ( 28.819 18.437 42.016) 54.183 5.367 ( -14.687 -7.230 12.306) 20.480 6.081 ( -17.936 0.236 2.346) 18.090 6.289 ( -2.642 -7.875 5.826) 10.146 8.938 ( 16.447 -1.994 16.968) 23.715 10.754 ( 2.096 -14.359 -7.826) 16.487 11.312 ( -3.849 6.423 -13.259) 15.227 11.778 ( 3.232 8.770 0.180) 9.348 16.517 ( 8.362 -0.711 3.648) 9.151 17.271 ( 10.146 10.063 3.439) 14.698 19.196 ( -17.314 -14.600 -6.082) 23.450 19.603 ( -11.237 4.250 -6.221) 13.530 20.109 ( 0.882 -2.487 -5.494) 6.095 20.294 ( 0.970 -3.464 2.476) 4.368 20.532 ( -7.002 -0.235 3.219) 7.710 20.781 ( -3.919 0.634 -12.521) 13.135 ======================= Grid point 256 (82/324) ======================= q-point: ( 0.27 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 28.984 -8.831 17.509) 34.995 2.763 ( 28.873 8.397 20.431) 36.354 4.057 ( 29.962 17.529 33.833) 48.473 5.009 ( -20.307 -6.038 9.036) 23.032 5.667 ( -22.421 -0.226 5.043) 22.983 6.189 ( -7.470 -4.029 8.720) 12.168 9.298 ( 18.429 -9.002 10.374) 22.984 10.745 ( -3.833 -19.485 -8.766) 21.707 11.296 ( 2.768 11.109 -11.336) 16.112 11.818 ( 0.565 10.172 0.846) 10.223 16.728 ( 12.350 -6.227 5.024) 14.715 17.516 ( 13.596 14.495 4.503) 20.377 18.811 ( -20.095 -15.505 -4.119) 25.713 19.340 ( -14.435 9.259 -5.724) 18.079 20.131 ( 1.512 -0.590 -7.182) 7.363 20.288 ( -1.397 -2.032 5.270) 5.818 20.400 ( -5.598 1.086 4.974) 7.567 20.677 ( -6.114 0.522 -13.163) 14.523 ======================= Grid point 257 (83/324) ======================= q-point: ( 0.36 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 32.628 -8.467 11.125) 35.497 3.366 ( 29.756 3.875 16.696) 34.339 4.545 ( -24.804 -5.514 7.774) 26.572 4.653 ( 28.088 14.495 27.010) 41.576 5.175 ( -25.698 -0.839 7.978) 26.921 5.976 ( -13.434 0.635 12.111) 18.098 9.675 ( 18.333 -14.930 3.138) 23.851 10.598 ( -10.071 -21.161 -9.816) 25.408 11.410 ( 7.519 12.667 -7.231) 16.409 11.797 ( -2.627 11.452 0.518) 11.761 17.019 ( 16.160 -10.735 5.890) 20.275 17.792 ( 11.310 13.768 5.644) 18.690 18.413 ( -16.731 -12.065 -2.818) 20.819 19.022 ( -16.622 13.623 -4.323) 21.922 20.176 ( 2.882 0.739 -8.172) 8.697 20.249 ( -1.966 -0.815 7.368) 7.669 20.311 ( -3.209 2.195 6.441) 7.524 20.540 ( -7.099 0.951 -13.910) 15.646 ======================= Grid point 258 (84/324) ======================= q-point: ( 0.45 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.301 ( 31.851 -6.795 7.426) 33.404 3.836 ( -5.029 -2.170 6.907) 8.815 4.129 ( 5.355 -2.856 13.854) 15.125 4.625 ( -27.835 -0.864 11.538) 30.144 5.192 ( 24.463 10.356 21.239) 34.011 5.641 ( -19.380 5.562 16.290) 25.921 10.035 ( 16.757 -18.893 -3.425) 25.485 10.350 ( -13.997 -20.812 -8.022) 26.332 11.571 ( 7.786 12.772 -3.667) 15.401 11.711 ( -5.709 12.370 -1.019) 13.662 17.380 ( 18.901 -13.214 5.881) 23.800 17.756 ( -15.565 -9.682 5.910) 19.260 18.354 ( 11.774 12.660 -2.026) 17.407 18.673 ( -17.210 16.333 -2.532) 23.861 20.220 ( 0.228 0.996 8.605) 8.665 20.231 ( -0.191 1.148 5.325) 5.451 20.290 ( 2.927 1.852 -7.411) 8.180 20.398 ( -6.549 1.465 -13.746) 15.296 ======================= Grid point 264 (85/324) ======================= q-point: ( 0.00 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 0.000 22.086 26.032) 34.139 2.056 ( 0.000 30.811 21.873) 37.785 3.113 ( 0.000 27.772 48.188) 55.618 5.424 ( 0.000 -16.733 15.696) 22.943 6.016 ( 0.000 -18.049 2.835) 18.271 6.446 ( 0.000 -4.417 3.677) 5.747 8.721 ( 0.000 10.653 20.741) 23.317 10.423 ( 0.000 -13.962 -2.812) 14.243 11.591 ( 0.000 5.414 -15.160) 16.097 11.781 ( 0.000 8.087 -2.623) 8.502 16.523 ( 0.000 11.884 3.663) 12.436 17.168 ( 0.000 7.300 2.559) 7.735 19.377 ( 0.000 -14.949 -8.204) 17.052 19.590 ( 0.000 -20.656 -2.148) 20.767 20.003 ( 0.000 0.996 -10.209) 10.257 20.160 ( 0.000 -2.873 7.913) 8.419 20.677 ( 0.000 -3.899 6.397) 7.492 20.851 ( 0.000 -1.992 -18.650) 18.756 ======================= Grid point 265 (86/324) ======================= q-point: ( 0.09 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( -10.347 25.132 26.050) 37.647 2.182 ( 11.755 21.522 29.025) 37.998 3.389 ( 23.080 28.549 39.387) 53.843 5.355 ( -6.618 -15.795 14.121) 22.196 6.033 ( 1.132 -17.654 4.384) 18.226 6.347 ( -9.249 -3.139 3.721) 10.452 8.769 ( 4.496 6.994 19.705) 21.387 10.430 ( 0.388 -15.092 -2.560) 15.313 11.527 ( -4.130 6.803 -13.386) 15.573 11.856 ( 5.404 7.960 -4.428) 10.591 16.514 ( -0.362 8.601 4.056) 9.516 17.273 ( 9.643 10.359 2.637) 14.396 19.196 ( -14.061 -17.702 -6.159) 23.431 19.639 ( 1.354 -13.521 -3.441) 14.018 20.025 ( 1.927 -0.175 -10.452) 10.630 20.181 ( 1.920 -3.151 7.141) 8.038 20.626 ( -4.491 -2.948 4.671) 7.119 20.834 ( -1.728 -1.785 -16.105) 16.296 ======================= Grid point 266 (87/324) ======================= q-point: ( 0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 4.938 14.972 27.900) 32.046 2.511 ( 19.852 16.152 29.081) 38.739 3.926 ( 27.903 27.416 29.541) 49.019 5.159 ( -12.599 -13.411 11.001) 21.439 5.976 ( -11.834 -14.605 11.758) 22.172 6.154 ( -4.620 -1.969 -0.168) 5.025 8.895 ( 7.716 -1.789 16.884) 18.649 10.416 ( -2.347 -18.566 -2.260) 18.850 11.477 ( -0.101 9.713 -12.445) 15.787 11.960 ( 4.405 8.632 -4.936) 10.875 16.533 ( 2.662 2.805 4.964) 6.293 17.530 ( 14.863 15.233 2.887) 21.478 18.864 ( -18.010 -18.476 -4.456) 26.183 19.608 ( -4.179 -4.034 -4.340) 7.250 20.070 ( 2.458 -0.677 -9.917) 10.239 20.224 ( 1.867 -3.231 6.250) 7.279 20.519 ( -5.383 -0.993 3.577) 6.539 20.778 ( -3.753 -1.115 -13.811) 14.355 ======================= Grid point 267 (88/324) ======================= q-point: ( 0.27 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 23.104 1.892 21.666) 31.730 2.967 ( 24.329 11.956 26.810) 38.126 4.489 ( 26.810 24.092 22.366) 42.420 4.840 ( -18.649 -10.613 8.165) 22.958 5.600 ( -22.083 -7.954 14.591) 27.638 6.109 ( -2.698 -2.758 1.641) 4.193 9.079 ( 10.280 -11.714 12.787) 20.159 10.317 ( -7.446 -22.763 -2.438) 24.074 11.534 ( 5.449 12.501 -10.817) 17.406 12.026 ( 1.854 9.687 -5.101) 11.104 16.634 ( 7.384 -2.512 5.840) 9.743 17.843 ( 14.273 16.649 3.623) 22.227 18.488 ( -17.393 -15.895 -3.339) 23.798 19.478 ( -8.421 4.181 -4.965) 10.632 20.127 ( 3.134 0.383 -9.899) 10.391 20.246 ( 0.204 -1.909 7.248) 7.498 20.422 ( -3.949 1.007 4.183) 5.840 20.683 ( -5.423 -0.038 -13.740) 14.772 ======================= Grid point 268 (89/324) ======================= q-point: ( 0.36 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 31.568 -5.203 14.254) 35.026 3.482 ( 25.651 7.599 24.041) 35.968 4.398 ( -24.378 -8.911 6.718) 26.811 5.004 ( 22.354 18.740 17.340) 33.935 5.119 ( -23.560 -4.614 17.462) 29.686 6.005 ( -7.854 2.313 3.989) 9.107 9.313 ( 12.530 -19.826 7.986) 24.776 10.121 ( -11.434 -25.583 -2.068) 28.098 11.678 ( 8.075 13.484 -8.877) 18.051 12.031 ( -1.419 10.905 -5.491) 12.292 16.836 ( 12.423 -7.007 6.152) 15.533 17.886 ( -14.310 -8.196 4.283) 17.038 18.378 ( 10.889 11.895 -2.624) 16.339 19.271 ( -11.781 10.936 -4.687) 16.743 20.199 ( 3.917 1.524 -9.689) 10.561 20.242 ( -0.209 0.220 8.834) 8.839 20.357 ( -2.501 2.394 4.785) 5.906 20.563 ( -6.207 1.242 -14.554) 15.871 ======================= Grid point 269 (90/324) ======================= q-point: ( 0.45 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.146 ( 32.769 -7.461 9.041) 34.802 3.762 ( -22.081 -5.364 7.248) 23.851 4.093 ( 18.429 -0.095 22.053) 28.739 4.596 ( -25.863 -2.097 21.073) 33.427 5.447 ( 19.188 14.136 11.573) 26.494 5.784 ( -13.778 8.237 7.316) 17.641 9.583 ( 13.789 -24.747 3.366) 28.528 9.864 ( -13.482 -26.449 -0.158) 29.687 11.840 ( 7.418 13.130 -7.326) 16.766 11.967 ( -4.801 12.133 -6.221) 14.455 17.136 ( 16.831 -10.648 5.651) 20.702 17.510 ( -19.462 -12.951 4.564) 23.819 18.685 ( 16.206 18.195 -2.327) 24.476 19.002 ( -14.541 15.906 -3.588) 21.848 20.248 ( 0.863 1.672 9.406) 9.592 20.263 ( 0.700 1.977 3.297) 3.907 20.340 ( 2.398 3.060 -7.683) 8.610 20.438 ( -5.900 2.371 -14.700) 16.016 ======================= Grid point 275 (91/324) ======================= q-point: ( 0.00 0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 0.000 23.681 25.037) 34.462 2.698 ( 0.000 32.757 17.489) 37.134 3.748 ( 0.000 34.353 36.203) 49.908 5.029 ( 0.000 -22.515 13.915) 26.468 5.607 ( 0.000 -22.569 5.520) 23.234 6.306 ( 0.000 -9.834 7.480) 12.355 8.943 ( 0.000 11.253 17.491) 20.798 10.138 ( 0.000 -14.217 1.887) 14.341 11.714 ( 0.000 6.591 -14.383) 15.821 11.921 ( 0.000 5.682 -6.252) 8.448 16.814 ( 0.000 17.110 5.395) 17.940 17.350 ( 0.000 10.844 2.999) 11.251 19.044 ( 0.000 -18.137 -6.788) 19.365 19.152 ( 0.000 -23.160 -0.761) 23.173 20.012 ( 0.000 0.111 -7.216) 7.217 20.101 ( 0.000 -2.975 8.229) 8.750 20.596 ( 0.000 -3.868 3.992) 5.558 20.777 ( 0.000 -4.885 -16.958) 17.647 ======================= Grid point 276 (92/324) ======================= q-point: ( 0.09 0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -8.331 28.454 21.060) 36.367 2.660 ( 3.026 26.868 27.757) 38.749 4.009 ( 21.417 32.317 28.917) 48.366 4.980 ( -4.756 -21.508 12.769) 25.461 5.620 ( 0.682 -23.270 7.433) 24.438 6.243 ( -5.645 -7.535 6.437) 11.405 8.923 ( -1.815 8.291 17.255) 19.229 10.119 ( -2.135 -15.634 2.261) 15.940 11.680 ( -1.756 8.147 -13.315) 15.708 11.992 ( 5.420 5.326 -7.385) 10.596 16.732 ( -5.753 13.283 5.643) 15.537 17.519 ( 14.285 14.143 2.724) 20.286 18.802 ( -15.401 -21.458 -3.335) 26.622 19.323 ( 8.529 -17.387 -3.861) 19.747 20.032 ( 1.784 0.415 -7.904) 8.113 20.121 ( 1.905 -2.807 8.029) 8.716 20.564 ( -2.845 -2.974 2.893) 5.031 20.769 ( -0.913 -4.366 -15.460) 16.090 ======================= Grid point 277 (93/324) ======================= q-point: ( 0.18 0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -5.468 28.145 23.214) 36.891 2.871 ( 15.567 20.121 29.970) 39.311 4.493 ( 24.511 28.438 20.612) 42.830 4.836 ( -9.481 -18.812 10.277) 23.439 5.578 ( -6.599 -23.735 14.111) 28.390 6.126 ( -4.260 -2.331 1.939) 5.229 8.882 ( -1.759 0.815 16.562) 16.675 10.035 ( -6.476 -19.238 2.918) 20.507 11.684 ( 2.558 10.628 -12.441) 16.561 12.103 ( 5.029 5.398 -8.100) 10.956 16.641 ( -2.561 8.161 6.061) 10.483 17.856 ( 17.230 16.778 2.561) 24.186 18.469 ( -16.370 -20.498 -2.428) 26.345 19.457 ( 4.427 -10.457 -4.455) 12.198 20.080 ( 2.903 1.126 -9.202) 9.715 20.170 ( 2.679 -2.091 7.815) 8.522 20.497 ( -3.279 -1.013 1.902) 3.924 20.736 ( -2.410 -3.004 -13.876) 14.400 ======================= Grid point 278 (94/324) ======================= q-point: ( 0.27 0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 11.024 17.831 22.049) 30.424 3.241 ( 20.045 15.505 28.629) 38.234 4.581 ( -15.577 -15.172 7.272) 22.928 4.977 ( 22.175 23.548 14.576) 35.478 5.331 ( -16.399 -18.068 21.215) 32.333 6.089 ( -0.357 -0.001 -1.754) 1.790 8.869 ( 0.881 -8.520 15.252) 17.493 9.855 ( -10.946 -23.086 3.617) 25.804 11.781 ( 6.519 11.871 -11.448) 17.734 12.185 ( 2.827 6.028 -8.538) 10.827 16.640 ( 2.639 3.301 6.192) 7.497 17.985 ( -13.029 -10.437 3.455) 17.048 18.356 ( 13.432 10.382 -3.100) 17.257 19.500 ( -0.216 -1.921 -4.744) 5.123 20.149 ( 3.782 1.586 -9.696) 10.528 20.222 ( 2.240 -0.377 7.983) 8.299 20.440 ( -2.262 0.850 1.853) 3.045 20.672 ( -3.820 -1.177 -13.906) 14.470 ======================= Grid point 279 (95/324) ======================= q-point: ( 0.36 0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 24.195 5.860 16.749) 30.005 3.663 ( 20.564 10.298 26.948) 35.427 4.192 ( -22.198 -11.840 6.485) 25.980 4.949 ( -19.544 -10.754 25.400) 33.805 5.400 ( 18.371 18.797 9.063) 27.802 6.063 ( -2.943 3.206 -1.576) 4.629 8.932 ( 5.482 -17.264 13.031) 22.313 9.603 ( -13.257 -25.643 4.912) 29.282 11.930 ( 7.630 11.451 -10.529) 17.327 12.213 ( -0.197 7.092 -8.948) 11.419 16.750 ( 8.043 -1.541 5.848) 10.063 17.630 ( -18.486 -14.541 3.083) 23.721 18.706 ( 17.647 17.795 -2.766) 25.214 19.446 ( -5.151 6.280 -4.904) 9.487 20.229 ( 3.762 1.370 -5.081) 6.469 20.264 ( 2.169 1.932 5.723) 6.418 20.404 ( -1.257 2.300 0.892) 2.769 20.584 ( -4.672 0.715 -15.019) 15.745 ======================= Grid point 280 (96/324) ======================= q-point: ( 0.45 0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( 29.403 -2.558 11.338) 31.617 3.634 ( -27.396 -7.049 7.507) 29.268 4.124 ( 20.025 2.930 27.071) 33.800 4.542 ( -20.336 -3.335 26.874) 33.865 5.728 ( 13.636 13.498 4.450) 19.696 5.951 ( -8.209 8.089 0.736) 11.548 9.093 ( 10.121 -23.380 10.072) 27.395 9.332 ( -12.950 -26.028 7.137) 29.935 12.075 ( 6.258 10.098 -9.863) 15.441 12.175 ( -3.465 8.509 -9.372) 13.125 16.965 ( 12.911 -6.388 5.063) 15.269 17.268 ( -16.632 -10.981 4.033) 20.334 19.038 ( 14.541 16.553 -3.764) 22.351 19.290 ( -10.068 12.604 -4.605) 16.776 20.285 ( 1.875 1.942 7.853) 8.304 20.305 ( 0.576 2.130 5.064) 5.524 20.406 ( 2.303 3.322 -10.281) 11.048 20.486 ( -4.752 2.315 -15.729) 16.593 ======================= Grid point 286 (97/324) ======================= q-point: ( 0.00 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 0.000 26.716 21.820) 34.494 3.345 ( 0.000 31.685 14.288) 34.758 4.438 ( 0.000 33.530 27.476) 43.350 4.536 ( 0.000 -26.440 14.028) 29.931 5.128 ( 0.000 -24.890 7.915) 26.118 6.044 ( 0.000 -16.585 11.306) 20.072 9.165 ( 0.000 10.975 14.657) 18.311 9.863 ( 0.000 -13.202 5.825) 14.430 11.845 ( 0.000 6.235 -13.427) 14.804 12.002 ( 0.000 2.261 -8.875) 9.159 17.200 ( 0.000 21.380 6.291) 22.286 17.601 ( 0.000 14.222 2.555) 14.450 18.665 ( 0.000 -19.478 -4.396) 19.968 18.669 ( 0.000 -25.057 1.466) 25.100 20.010 ( 0.000 -0.240 -2.680) 2.691 20.047 ( 0.000 -2.241 7.811) 8.126 20.535 ( 0.000 -1.958 -0.711) 2.083 20.672 ( 0.000 -5.314 -14.821) 15.745 ======================= Grid point 287 (98/324) ======================= q-point: ( 0.09 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( -2.201 28.153 18.647) 33.840 3.250 ( -4.276 31.357 22.298) 38.714 4.503 ( -2.550 -24.703 13.181) 28.116 4.645 ( 16.597 28.930 21.783) 39.836 5.118 ( -1.186 -26.214 10.539) 28.278 6.035 ( -0.590 -13.493 9.230) 16.359 9.099 ( -6.133 9.413 14.934) 18.688 9.815 ( -4.837 -14.638 6.333) 16.666 11.841 ( 0.554 7.691 -12.892) 15.022 12.062 ( 4.909 1.622 -9.511) 10.825 17.043 ( -10.421 17.686 6.349) 21.487 17.831 ( 17.262 16.818 2.362) 24.215 18.351 ( -15.675 -23.258 -0.239) 28.048 18.958 ( 13.483 -18.983 -3.262) 23.511 20.035 ( 2.329 -0.038 -2.933) 3.745 20.074 ( 2.504 -1.873 7.417) 8.049 20.519 ( -1.352 -1.198 -1.436) 2.308 20.672 ( -0.059 -5.007 -13.928) 14.801 ======================= Grid point 288 (99/324) ======================= q-point: ( 0.18 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( -8.302 32.085 17.506) 37.481 3.319 ( 10.035 24.759 28.316) 38.929 4.411 ( -6.568 -23.514 10.254) 26.480 5.001 ( 9.521 1.306 16.678) 19.249 5.088 ( 5.110 -4.315 15.470) 16.854 6.036 ( 0.994 -7.025 3.982) 8.136 8.939 ( -8.918 5.055 15.747) 18.790 9.661 ( -10.162 -17.795 7.499) 21.821 11.888 ( 4.089 9.475 -12.439) 16.163 12.170 ( 5.217 1.230 -10.087) 11.423 16.859 ( -7.049 13.604 6.467) 16.631 17.986 ( -14.353 -17.559 3.998) 23.029 18.259 ( 18.246 13.296 -2.452) 22.710 19.212 ( 11.313 -13.695 -4.615) 18.353 20.098 ( 3.637 0.547 -3.166) 4.853 20.142 ( 4.013 -0.846 6.315) 7.530 20.489 ( -1.453 0.400 -2.339) 2.782 20.664 ( -0.846 -3.984 -13.018) 13.641 ======================= Grid point 289 (100/324) ======================= q-point: ( 0.27 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( 0.534 27.692 18.138) 33.107 3.583 ( 14.724 18.621 28.532) 37.117 4.223 ( -12.176 -20.790 7.256) 25.162 4.902 ( -8.790 -23.174 24.811) 35.070 5.425 ( 17.383 19.950 8.613) 27.827 6.075 ( 2.509 -2.081 -0.907) 3.384 8.764 ( -7.508 -1.484 16.666) 18.339 9.413 ( -13.782 -20.665 9.094) 26.451 11.998 ( 6.305 9.665 -12.029) 16.669 12.262 ( 3.626 1.670 -10.547) 11.277 16.765 ( -2.145 9.013 6.046) 11.063 17.659 ( -16.156 -18.166 3.210) 24.522 18.666 ( 19.843 16.639 -2.934) 26.062 19.409 ( 7.753 -6.917 -5.168) 11.605 20.177 ( 4.025 1.232 -2.321) 4.806 20.227 ( 4.099 0.495 4.901) 6.408 20.464 ( -0.890 1.825 -3.226) 3.811 20.636 ( -1.910 -2.344 -13.375) 13.712 ======================= Grid point 290 (101/324) ======================= q-point: ( 0.36 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 12.421 16.596 15.508) 25.888 3.870 ( 1.525 2.595 19.139) 19.374 3.932 ( -4.693 -6.659 15.791) 17.769 4.700 ( -10.749 -13.714 28.623) 33.510 5.743 ( 13.526 15.070 3.742) 20.593 6.116 ( 0.902 1.576 -3.072) 3.569 8.659 ( -2.237 -9.212 16.889) 19.368 9.121 ( -14.227 -21.947 11.198) 28.452 12.129 ( 6.235 8.407 -11.699) 15.698 12.312 ( 1.104 2.802 -10.940) 11.347 16.773 ( 2.903 3.720 5.221) 7.037 17.344 ( -14.495 -13.755 3.307) 20.254 19.042 ( 16.623 15.296 -4.187) 22.974 19.515 ( 2.240 0.525 -5.241) 5.724 20.258 ( 3.774 1.580 1.346) 4.307 20.302 ( 3.061 1.388 3.858) 5.117 20.453 ( -0.130 2.746 -5.926) 6.533 20.587 ( -2.852 -0.475 -14.923) 15.200 ======================= Grid point 291 (102/324) ======================= q-point: ( 0.45 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.053 ( 20.047 3.717 11.481) 23.399 3.489 ( -21.699 -7.485 8.010) 24.311 4.197 ( 13.985 4.165 29.070) 32.526 4.465 ( -12.278 -4.208 29.378) 32.118 5.970 ( 8.656 10.345 -0.100) 13.489 6.093 ( -3.444 5.739 -2.597) 7.179 8.687 ( 5.028 -16.275 15.808) 23.239 8.856 ( -11.175 -20.702 13.639) 27.193 12.240 ( 4.458 6.465 -11.468) 13.899 12.305 ( -1.783 4.469 -11.242) 12.228 16.880 ( 7.583 -2.112 4.330) 8.984 17.077 ( -11.542 -8.129 3.656) 14.583 19.329 ( 11.246 12.228 -4.981) 17.343 19.492 ( -4.576 7.269 -5.235) 10.059 20.322 ( 2.274 1.756 7.056) 7.619 20.342 ( 0.553 1.462 6.646) 6.828 20.468 ( 1.832 2.786 -13.628) 14.030 20.524 ( -3.230 1.285 -16.556) 16.917 ======================= Grid point 297 (103/324) ======================= q-point: ( 0.00 0.45 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.363 ( 0.000 28.662 17.742) 33.709 3.861 ( 0.000 -2.335 11.436) 11.672 4.081 ( 0.000 3.437 16.138) 16.500 4.571 ( 0.000 -26.536 11.237) 28.817 5.107 ( 0.000 28.904 20.149) 35.233 5.641 ( 0.000 -23.687 15.555) 28.338 9.384 ( 0.000 11.050 11.989) 16.304 9.612 ( 0.000 -11.891 9.140) 14.998 11.953 ( 0.000 4.354 -12.273) 13.022 12.011 ( 0.000 -1.318 -10.812) 10.892 17.659 ( 0.000 24.298 5.835) 24.989 17.915 ( 0.000 17.086 1.074) 17.120 18.160 ( 0.000 -25.542 3.833) 25.828 18.277 ( 0.000 -19.008 -1.630) 19.078 20.007 ( 0.000 -0.029 2.470) 2.470 20.015 ( 0.000 -0.966 6.127) 6.203 20.526 ( 0.000 1.123 -6.687) 6.781 20.577 ( 0.000 -3.883 -11.621) 12.253 ======================= Grid point 298 (104/324) ======================= q-point: ( 0.09 0.45 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.372 ( -0.117 28.467 15.991) 32.651 3.832 ( -2.417 10.640 14.390) 18.059 4.020 ( -4.337 -6.920 17.425) 19.243 4.528 ( -3.709 -29.499 14.541) 33.097 5.235 ( 11.117 25.946 16.361) 32.626 5.699 ( 5.279 -20.147 12.491) 24.285 9.302 ( -7.767 10.956 12.526) 18.364 9.540 ( -7.036 -12.859 9.729) 17.593 11.976 ( 2.468 5.572 -12.149) 13.591 12.056 ( 3.919 -2.252 -11.048) 11.937 17.433 ( -13.743 21.187 5.715) 25.893 17.878 ( -15.610 -22.912 4.179) 28.038 18.192 ( 18.590 18.349 -0.415) 26.123 18.573 ( 17.002 -19.363 -1.730) 25.826 20.035 ( 2.689 0.168 2.665) 3.790 20.046 ( 2.940 -0.945 5.463) 6.276 20.523 ( -0.234 1.612 -6.966) 7.154 20.580 ( 0.237 -3.969 -11.305) 11.984 ======================= Grid point 299 (105/324) ======================= q-point: ( 0.18 0.45 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.306 ( -6.448 30.835 13.076) 34.108 3.825 ( 2.215 10.121 19.531) 22.108 3.930 ( -4.354 -9.038 17.044) 19.778 4.456 ( -2.569 -30.045 21.926) 37.283 5.499 ( 13.753 19.952 9.897) 26.175 5.834 ( 7.392 -13.393 6.488) 16.616 9.089 ( -12.492 9.989 14.065) 21.300 9.336 ( -12.573 -14.545 11.292) 22.297 12.052 ( 4.825 6.775 -12.115) 14.695 12.152 ( 5.139 -3.029 -11.358) 12.829 17.178 ( -10.932 18.124 5.942) 21.984 17.572 ( -14.248 -20.927 4.593) 25.730 18.589 ( 19.742 16.972 -2.407) 26.145 18.917 ( 16.480 -15.711 -3.797) 23.083 20.109 ( 4.345 0.710 2.618) 5.122 20.126 ( 4.673 -0.894 4.535) 6.573 20.518 ( -0.184 2.531 -7.550) 7.965 20.584 ( 0.058 -3.853 -11.125) 11.773 ======================= Grid point 300 (106/324) ======================= q-point: ( 0.27 0.45 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.166 ( -5.762 30.150 13.009) 33.339 3.743 ( -9.057 -26.650 8.797) 29.490 3.985 ( 7.654 20.975 28.206) 35.974 4.430 ( -0.384 -23.323 27.292) 35.902 5.769 ( 12.270 14.121 4.245) 19.183 5.984 ( 7.025 -7.457 1.132) 10.307 8.821 ( -13.046 7.247 16.193) 22.021 9.049 ( -14.917 -15.241 13.521) 25.251 12.160 ( 5.454 6.483 -12.146) 14.808 12.252 ( 4.483 -2.624 -11.678) 12.781 16.994 ( -7.064 13.738 5.408) 16.367 17.304 ( -11.946 -16.975 4.369) 21.212 18.978 ( 18.002 14.300 -4.227) 23.375 19.231 ( 13.903 -10.873 -5.123) 18.378 20.202 ( 4.613 1.305 2.720) 5.512 20.225 ( 4.760 -0.771 4.127) 6.347 20.515 ( -0.129 3.125 -8.789) 9.329 20.580 ( -0.481 -3.170 -11.912) 12.336 ======================= Grid point 301 (107/324) ======================= q-point: ( 0.36 0.45 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.106 ( 0.183 21.712 11.857) 24.739 3.538 ( -10.459 -20.657 8.203) 24.564 4.147 ( 7.690 13.188 29.288) 33.028 4.420 ( -1.053 -13.993 29.514) 32.680 5.988 ( 9.006 9.211 -0.043) 12.882 6.107 ( 4.774 -2.882 -2.327) 6.042 8.588 ( -9.068 2.414 18.160) 20.441 8.755 ( -13.173 -13.955 16.039) 25.010 12.263 ( 4.423 4.984 -12.203) 13.904 12.326 ( 2.638 -1.265 -11.969) 12.321 16.893 ( -2.865 8.123 4.494) 9.715 17.090 ( -8.888 -11.479 3.827) 15.014 19.305 ( 13.578 10.764 -5.257) 18.107 19.466 ( 8.765 -5.321 -5.546) 11.657 20.290 ( 3.824 1.470 4.054) 5.764 20.311 ( 3.463 -0.447 4.909) 6.024 20.512 ( -0.137 2.965 -11.572) 11.946 20.563 ( -1.207 -1.945 -14.012) 14.197 ======================= Grid point 302 (108/324) ======================= q-point: ( 0.45 0.45 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.172 ( 5.966 7.550 9.867) 13.782 3.333 ( -9.379 -8.129 8.478) 15.031 4.285 ( 5.713 4.550 29.951) 30.829 4.377 ( -3.253 -4.568 30.135) 30.652 6.127 ( 4.461 5.060 -2.764) 7.290 6.166 ( 0.655 1.129 -3.619) 3.847 8.478 ( -1.310 -3.981 19.028) 19.484 8.540 ( -7.270 -10.078 18.181) 22.022 12.334 ( 2.339 2.885 -12.235) 12.787 12.356 ( 0.189 0.680 -12.168) 12.188 16.877 ( 1.323 1.692 3.749) 4.321 16.945 ( -5.286 -5.040 3.518) 8.107 19.516 ( 6.784 6.220 -5.545) 10.745 19.572 ( 1.322 0.632 -5.545) 5.735 20.351 ( 1.918 1.011 7.074) 7.399 20.359 ( 1.124 0.221 7.217) 7.308 20.514 ( 0.431 1.729 -16.052) 16.151 20.534 ( -1.451 -0.268 -16.866) 16.930 ======================= Grid point 363 (109/324) ======================= q-point: ( 0.00 0.00 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 0.000 0.000 32.564) 32.564 1.941 ( 0.000 0.000 34.430) 34.430 3.791 ( 0.000 0.000 61.647) 61.647 6.252 ( 0.000 0.000 26.253) 26.253 6.393 ( 0.000 0.000 -1.594) 1.594 6.452 ( 0.000 0.000 -3.247) 3.247 9.046 ( 0.000 0.000 32.499) 32.499 10.495 ( 0.000 0.000 -17.458) 17.458 11.105 ( 0.000 0.000 -20.995) 20.995 11.669 ( 0.000 0.000 7.806) 7.806 16.324 ( 0.000 0.000 3.027) 3.027 17.041 ( 0.000 0.000 0.341) 0.341 19.577 ( 0.000 0.000 -20.310) 20.310 19.608 ( 0.000 0.000 -7.646) 7.646 19.992 ( 0.000 0.000 -11.903) 11.903 20.362 ( 0.000 0.000 -23.446) 23.446 20.390 ( 0.000 0.000 9.449) 9.449 20.917 ( 0.000 0.000 7.674) 7.674 ======================= Grid point 364 (110/324) ======================= q-point: ( 0.09 0.00 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 5.183 0.000 33.809) 34.204 2.016 ( 15.522 0.000 29.755) 33.560 3.929 ( 12.961 0.000 58.947) 60.355 6.041 ( -14.915 0.000 14.669) 20.920 6.348 ( -9.802 0.000 -2.168) 10.039 6.509 ( 5.585 0.000 10.037) 11.486 9.125 ( 7.279 0.000 28.048) 28.977 10.545 ( 4.921 0.000 -15.524) 16.285 11.033 ( -6.388 0.000 -20.789) 21.748 11.717 ( 3.967 0.000 7.364) 8.364 16.398 ( 7.122 0.000 3.468) 7.922 17.091 ( 4.872 0.000 1.198) 5.018 19.470 ( -9.180 0.000 -18.408) 20.570 19.527 ( -7.737 0.000 -7.223) 10.585 20.002 ( -0.019 0.000 -11.668) 11.668 20.342 ( -1.928 0.000 -22.918) 22.999 20.408 ( 1.708 0.000 8.936) 9.098 20.883 ( -3.283 0.000 7.642) 8.317 ======================= Grid point 365 (111/324) ======================= q-point: ( 0.18 0.00 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 13.679 0.000 30.475) 33.404 2.437 ( 24.667 0.000 24.144) 34.516 4.283 ( 20.756 0.000 52.896) 56.823 5.692 ( -19.055 0.000 11.039) 22.021 6.075 ( -16.352 0.000 0.041) 16.352 6.572 ( 0.415 0.000 14.259) 14.265 9.314 ( 10.618 0.000 16.810) 19.883 10.694 ( 9.660 0.000 -10.094) 13.972 10.871 ( -9.134 0.000 -21.649) 23.497 11.799 ( 3.492 0.000 7.553) 8.321 16.606 ( 13.002 0.000 4.624) 13.800 17.235 ( 9.133 0.000 3.266) 9.700 19.246 ( -12.304 0.000 -15.292) 19.628 19.304 ( -13.742 0.000 -5.904) 14.957 19.976 ( -2.222 0.000 -11.138) 11.358 20.285 ( -3.489 0.000 -21.679) 21.958 20.450 ( 2.071 0.000 8.832) 9.071 20.788 ( -5.819 0.000 7.766) 9.705 ======================= Grid point 366 (112/324) ======================= q-point: ( 0.27 0.00 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( 21.762 0.000 24.716) 32.932 2.983 ( 28.165 0.000 18.681) 33.797 4.741 ( 23.515 0.000 45.699) 51.394 5.269 ( -22.344 0.000 9.607) 24.322 5.700 ( -20.059 0.000 2.659) 20.234 6.522 ( -5.372 0.000 17.859) 18.649 9.539 ( 11.172 0.000 3.051) 11.581 10.671 ( -10.303 0.000 -23.213) 25.397 10.929 ( 13.026 0.000 -3.066) 13.381 11.842 ( 0.393 0.000 8.279) 8.288 16.916 ( 17.210 0.000 5.905) 18.195 17.455 ( 12.201 0.000 5.310) 13.306 18.977 ( -13.951 0.000 -11.362) 17.992 18.981 ( -17.604 0.000 -3.798) 18.009 19.930 ( -1.878 0.000 -12.312) 12.454 20.206 ( -4.192 0.000 -20.519) 20.943 20.481 ( 0.805 0.000 10.173) 10.205 20.657 ( -6.659 0.000 8.660) 10.924 ======================= Grid point 367 (113/324) ======================= q-point: ( 0.36 0.00 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.041 ( 26.438 0.000 18.796) 32.439 3.559 ( 27.638 0.000 13.719) 30.856 4.790 ( -24.254 0.000 10.063) 26.258 5.169 ( 3.292 0.000 20.851) 21.109 5.316 ( -2.859 0.000 23.247) 23.422 6.353 ( -11.155 0.000 22.149) 24.800 9.767 ( 11.191 0.000 -9.219) 14.499 10.454 ( -10.955 0.000 -24.009) 26.390 11.208 ( 13.793 0.000 2.876) 14.090 11.807 ( -3.877 0.000 8.722) 9.545 17.295 ( 19.673 0.000 6.660) 20.770 17.722 ( 13.613 0.000 6.251) 14.980 18.600 ( -19.413 0.000 -1.553) 19.476 18.682 ( -14.911 0.000 -6.819) 16.396 19.912 ( 0.336 0.000 -14.574) 14.578 20.117 ( -4.482 0.000 -19.948) 20.445 20.482 ( -0.569 0.000 11.740) 11.754 20.535 ( -4.880 0.000 10.626) 11.693 ======================= Grid point 368 (114/324) ======================= q-point: ( 0.45 0.00 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.593 ( 26.905 0.000 13.686) 30.186 3.991 ( 2.160 0.000 8.957) 9.213 4.393 ( -2.118 0.000 12.502) 12.680 4.760 ( -24.002 0.000 7.394) 25.115 5.692 ( 20.477 0.000 33.558) 39.312 6.071 ( -16.418 0.000 27.411) 31.952 9.996 ( 11.307 0.000 -17.894) 21.167 10.227 ( -11.285 0.000 -22.622) 25.281 11.474 ( 11.949 0.000 6.583) 13.642 11.683 ( -8.311 0.000 8.332) 11.768 17.704 ( 19.894 0.000 6.906) 21.058 17.965 ( 4.999 0.000 8.217) 9.618 18.237 ( -10.917 0.000 -2.590) 11.220 18.379 ( -14.298 0.000 -3.031) 14.616 19.946 ( 2.939 0.000 -16.968) 17.221 20.024 ( -4.462 0.000 -18.968) 19.486 20.466 ( -0.666 0.000 12.578) 12.596 20.471 ( -1.448 0.000 12.297) 12.382 ======================= Grid point 374 (115/324) ======================= q-point: ( 0.00 0.09 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 0.000 14.817 30.442) 33.856 2.113 ( 0.000 16.389 31.952) 35.910 3.877 ( 0.000 8.702 59.772) 60.402 6.070 ( 0.000 -14.289 16.909) 22.138 6.308 ( 0.000 -8.305 -0.398) 8.315 6.536 ( 0.000 4.525 6.464) 7.891 9.090 ( 0.000 4.287 30.979) 31.274 10.445 ( 0.000 -4.808 -14.641) 15.410 11.140 ( 0.000 3.460 -20.748) 21.034 11.695 ( 0.000 2.399 5.356) 5.869 16.399 ( 0.000 7.388 3.703) 8.264 17.086 ( 0.000 4.413 0.733) 4.473 19.424 ( 0.000 -10.114 -13.515) 16.881 19.695 ( 0.000 3.640 -13.834) 14.305 19.825 ( 0.000 -13.997 -10.621) 17.571 20.360 ( 0.000 -1.611 1.910) 2.499 20.431 ( 0.000 3.203 -15.394) 15.724 20.894 ( 0.000 -2.337 7.831) 8.172 ======================= Grid point 375 (116/324) ======================= q-point: ( 0.09 0.09 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 0.768 6.892 33.223) 33.939 2.305 ( 14.837 19.324 28.184) 37.254 4.021 ( 13.355 9.170 56.573) 58.847 5.913 ( -12.768 -11.406 12.645) 21.284 6.320 ( -3.470 -5.163 -0.945) 6.292 6.496 ( -1.571 -0.125 12.127) 12.229 9.151 ( 5.551 2.502 27.121) 27.796 10.485 ( 3.746 -5.631 -12.890) 14.556 11.078 ( -5.159 4.331 -20.335) 21.421 11.744 ( 4.090 2.528 4.827) 6.813 16.452 ( 5.164 5.383 4.113) 8.518 17.151 ( 6.349 5.928 1.411) 8.800 19.305 ( -10.418 -11.288 -12.572) 19.850 19.616 ( -6.524 3.255 -11.266) 13.420 19.877 ( 2.835 -10.077 -12.280) 16.137 20.354 ( -1.232 -0.664 -9.428) 9.532 20.421 ( -0.193 1.558 -3.703) 4.022 20.863 ( -2.934 -1.979 7.698) 8.473 ======================= Grid point 376 (117/324) ======================= q-point: ( 0.18 0.09 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 11.787 -1.481 31.817) 33.962 2.680 ( 21.464 17.713 24.194) 36.875 4.378 ( 20.648 9.419 49.755) 54.686 5.598 ( -17.822 -8.710 10.028) 22.227 6.113 ( -14.904 2.942 0.714) 15.208 6.495 ( -0.313 -7.572 15.447) 17.206 9.297 ( 8.302 -1.581 17.429) 19.369 10.564 ( 2.157 -9.924 -10.454) 14.575 10.988 ( -1.693 8.610 -18.398) 20.383 11.830 ( 3.698 2.819 4.741) 6.641 16.605 ( 9.745 0.465 5.237) 11.073 17.336 ( 11.541 9.506 2.947) 15.239 19.042 ( -14.873 -12.984 -9.827) 22.054 19.443 ( -10.285 6.213 -9.697) 15.440 19.907 ( 0.264 -5.887 -12.296) 13.635 20.298 ( -3.733 0.671 -20.283) 20.635 20.438 ( 1.410 -1.075 8.105) 8.297 20.779 ( -5.187 -1.005 7.728) 9.362 ======================= Grid point 377 (118/324) ======================= q-point: ( 0.27 0.09 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 21.809 -5.748 26.236) 34.598 3.161 ( 25.202 14.071 20.070) 35.156 4.824 ( 22.121 7.968 41.652) 47.830 5.197 ( -21.070 -6.517 9.919) 24.183 5.756 ( -19.606 4.857 3.786) 20.551 6.448 ( -4.554 -7.278 17.497) 19.490 9.477 ( 9.253 -5.755 5.737) 12.315 10.509 ( -7.097 -12.456 -15.079) 20.806 11.073 ( 9.373 10.553 -8.944) 16.710 11.878 ( 0.755 3.325 5.065) 6.106 16.844 ( 13.550 -5.251 6.553) 15.941 17.608 ( 14.638 13.147 4.358) 20.153 18.710 ( -17.442 -14.401 -6.215) 23.457 19.205 ( -12.865 9.921 -7.983) 18.101 19.903 ( -0.268 -2.385 -13.112) 13.330 20.216 ( -4.180 0.860 -20.600) 21.037 20.461 ( 0.633 -1.734 9.998) 10.167 20.663 ( -5.836 0.356 8.774) 10.544 ======================= Grid point 378 (119/324) ======================= q-point: ( 0.36 0.09 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( 27.233 -6.556 19.929) 34.377 3.685 ( 25.396 10.562 15.730) 31.684 4.719 ( -23.533 -6.164 9.754) 26.209 5.253 ( 3.939 7.438 21.707) 23.282 5.362 ( -5.073 4.269 21.051) 22.071 6.304 ( -9.630 -4.746 20.677) 23.298 9.673 ( 9.972 -8.799 -4.770) 14.128 10.323 ( -10.302 -11.762 -17.789) 23.684 11.307 ( 12.430 8.611 -1.647) 15.210 11.853 ( -3.313 4.170 5.075) 7.356 17.151 ( 16.462 -10.152 7.219) 20.644 17.909 ( 13.564 13.731 5.733) 20.134 18.349 ( -16.621 -13.301 -3.578) 21.587 18.925 ( -14.444 13.239 -5.515) 20.355 19.910 ( 1.209 -0.115 -15.043) 15.091 20.129 ( -4.393 1.112 -20.198) 20.700 20.462 ( -0.369 -1.391 11.053) 11.147 20.556 ( -4.333 1.468 10.924) 11.843 ======================= Grid point 379 (120/324) ======================= q-point: ( 0.45 0.09 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.524 ( 28.035 -5.744 14.595) 32.124 4.008 ( -9.969 0.079 10.531) 14.501 4.402 ( 8.733 2.151 13.361) 16.106 4.832 ( -24.126 6.253 9.320) 26.609 5.715 ( 18.695 2.349 30.617) 35.950 6.057 ( -14.580 -1.299 25.091) 29.049 9.883 ( 10.666 -10.561 -12.478) 19.519 10.105 ( -10.937 -11.361 -16.828) 23.062 11.551 ( 11.004 6.872 2.306) 13.177 11.742 ( -7.554 5.375 4.308) 10.223 17.508 ( 18.263 -13.321 6.680) 23.571 17.878 ( -16.780 -12.634 5.935) 21.827 18.315 ( 13.491 14.067 -1.801) 19.574 18.621 ( -15.297 15.445 -2.820) 21.920 19.956 ( 3.263 0.993 -17.265) 17.599 20.037 ( -4.474 1.254 -19.203) 19.757 20.460 ( 0.519 -0.037 12.009) 12.020 20.489 ( -2.315 1.210 12.239) 12.514 ======================= Grid point 385 (121/324) ======================= q-point: ( 0.00 0.18 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 0.000 20.810 27.467) 34.460 2.547 ( 0.000 25.704 27.129) 37.372 4.142 ( 0.000 17.738 53.973) 56.813 5.732 ( 0.000 -19.269 13.608) 23.589 6.072 ( 0.000 -14.953 2.542) 15.168 6.582 ( 0.000 -0.216 11.121) 11.123 9.205 ( 0.000 6.843 27.363) 28.206 10.316 ( 0.000 -7.700 -8.296) 11.319 11.238 ( 0.000 6.187 -20.049) 20.982 11.752 ( 0.000 2.943 0.065) 2.943 16.612 ( 0.000 13.780 5.343) 14.779 17.212 ( 0.000 8.102 1.613) 8.261 19.188 ( 0.000 -13.389 -11.112) 17.400 19.499 ( 0.000 -18.038 -7.198) 19.421 19.749 ( 0.000 2.017 -14.450) 14.590 20.308 ( 0.000 -3.482 2.091) 4.062 20.465 ( 0.000 0.196 -14.756) 14.757 20.826 ( 0.000 -4.294 8.161) 9.222 ======================= Grid point 386 (122/324) ======================= q-point: ( 0.09 0.18 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( -6.659 19.868 30.020) 36.610 2.729 ( 13.314 22.414 26.693) 37.312 4.293 ( 13.765 17.841 49.762) 54.626 5.622 ( -9.673 -17.332 11.418) 22.899 6.119 ( 3.313 -14.170 3.355) 14.933 6.497 ( -8.053 -0.795 12.803) 15.145 9.220 ( 1.452 4.342 24.822) 25.240 10.337 ( 1.492 -8.848 -6.815) 11.268 11.197 ( -2.888 7.333 -19.420) 20.959 11.804 ( 4.321 3.059 -0.573) 5.325 16.610 ( 0.303 10.359 5.628) 11.793 17.320 ( 9.921 10.695 1.854) 14.705 19.043 ( -11.950 -14.841 -9.405) 21.249 19.539 ( 1.265 -12.509 -6.823) 14.305 19.755 ( 1.094 0.296 -15.592) 15.633 20.310 ( -0.020 -3.307 -2.552) 4.177 20.443 ( -1.834 0.207 -9.607) 9.782 20.806 ( -1.983 -3.668 7.828) 8.870 ======================= Grid point 387 (123/324) ======================= q-point: ( 0.18 0.18 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 3.438 12.596 31.714) 34.297 3.053 ( 18.385 19.195 25.524) 36.850 4.646 ( 19.497 16.777 41.640) 48.944 5.368 ( -14.905 -14.008 9.580) 22.587 6.143 ( -4.516 -2.937 -0.905) 5.463 6.296 ( -8.160 -9.666 20.304) 23.922 9.263 ( 2.764 -1.424 18.720) 18.976 10.338 ( -2.313 -12.311 -5.282) 13.594 11.178 ( 2.176 10.259 -17.141) 20.095 11.896 ( 4.105 3.348 -1.097) 5.409 16.647 ( 3.625 4.091 6.432) 8.441 17.584 ( 15.278 14.595 2.286) 21.252 18.753 ( -15.972 -15.844 -6.826) 23.510 19.500 ( -4.779 -1.822 -6.877) 8.570 19.799 ( 2.734 -3.100 -15.655) 16.192 20.290 ( -2.209 -1.702 -16.126) 16.365 20.417 ( -0.254 -0.822 4.644) 4.723 20.748 ( -3.643 -2.104 7.702) 8.776 ======================= Grid point 388 (124/324) ======================= q-point: ( 0.27 0.18 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 16.633 3.714 28.403) 33.124 3.468 ( 21.912 16.128 23.198) 35.754 4.970 ( -8.381 -4.028 13.915) 16.736 5.100 ( 8.782 7.010 29.266) 31.349 5.862 ( -18.830 4.797 8.103) 21.054 6.241 ( -1.415 -12.955 14.821) 19.736 9.336 ( 4.498 -7.588 11.515) 14.505 10.229 ( -8.078 -15.146 -6.507) 18.358 11.296 ( 8.796 11.408 -12.161) 18.852 11.956 ( 1.507 3.935 -1.406) 4.442 16.765 ( 8.007 -1.978 7.230) 10.968 17.914 ( 16.006 16.341 3.074) 23.079 18.409 ( -16.985 -15.439 -4.661) 23.422 19.364 ( -8.310 5.507 -6.852) 12.097 19.854 ( 2.657 -1.901 -15.498) 15.839 20.230 ( -3.413 0.232 -20.701) 20.982 20.425 ( 0.709 -1.527 9.558) 9.705 20.665 ( -4.283 -0.288 8.810) 9.800 ======================= Grid point 389 (125/324) ======================= q-point: ( 0.36 0.18 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( 25.359 -2.431 22.368) 33.901 3.925 ( 21.694 12.835 19.979) 32.164 4.568 ( -21.787 -8.762 9.925) 25.495 5.427 ( -10.697 8.136 15.239) 20.318 5.470 ( 6.243 6.961 25.614) 27.267 6.178 ( -5.100 -7.289 15.002) 17.441 9.451 ( 6.803 -12.477 4.560) 14.925 10.033 ( -10.544 -16.408 -7.123) 20.764 11.503 ( 10.734 10.260 -7.722) 16.736 11.950 ( -2.121 4.988 -1.972) 5.768 16.972 ( 12.205 -7.168 7.332) 15.941 17.968 ( -16.086 -11.938 3.393) 20.318 18.324 ( 14.021 14.160 -2.697) 20.109 19.168 ( -10.794 10.807 -5.862) 16.361 19.911 ( 3.134 0.358 -16.479) 16.778 20.155 ( -3.901 1.325 -20.815) 21.219 20.440 ( 0.864 -0.639 10.321) 10.376 20.581 ( -3.750 0.944 10.605) 11.288 ======================= Grid point 390 (126/324) ======================= q-point: ( 0.45 0.18 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.407 ( 28.194 -5.271 16.626) 33.153 3.959 ( -23.765 -4.657 12.483) 27.245 4.500 ( 20.715 7.130 17.669) 28.145 4.970 ( -23.528 6.799 15.252) 28.851 5.784 ( 14.091 4.418 22.781) 27.148 6.027 ( -9.691 -1.358 18.056) 20.537 9.613 ( 9.080 -15.477 -1.338) 17.994 9.815 ( -10.546 -16.638 -5.404) 20.427 11.711 ( 9.227 8.395 -4.832) 13.377 11.868 ( -5.981 6.525 -3.040) 9.359 17.258 ( 15.693 -11.162 6.362) 20.281 17.603 ( -17.957 -13.651 4.495) 23.001 18.637 ( 15.122 16.660 -2.551) 22.643 18.925 ( -13.058 14.607 -4.228) 20.043 19.984 ( 3.986 1.737 -18.141) 18.655 20.071 ( -4.346 1.922 -19.843) 20.404 20.466 ( 1.793 0.613 11.099) 11.260 20.514 ( -2.851 1.194 11.441) 11.851 ======================= Grid point 396 (127/324) ======================= q-point: ( 0.00 0.27 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( 0.000 22.047 25.750) 33.899 3.100 ( 0.000 28.875 22.622) 36.681 4.570 ( 0.000 24.434 45.373) 51.534 5.309 ( 0.000 -22.863 13.201) 26.400 5.724 ( 0.000 -19.550 6.058) 20.467 6.520 ( 0.000 -6.053 14.492) 15.706 9.352 ( 0.000 7.643 23.165) 24.394 10.150 ( 0.000 -8.676 -1.311) 8.774 11.379 ( 0.000 7.628 -18.980) 20.456 11.800 ( 0.000 1.643 -5.324) 5.572 16.938 ( 0.000 18.499 6.959) 19.765 17.403 ( 0.000 10.902 2.149) 11.112 18.897 ( 0.000 -15.549 -8.089) 17.527 19.117 ( 0.000 -20.001 -3.007) 20.226 19.785 ( 0.000 1.861 -14.551) 14.669 20.223 ( 0.000 -4.954 -2.339) 5.478 20.451 ( 0.000 -1.217 -9.048) 9.129 20.727 ( 0.000 -5.480 8.271) 9.921 ======================= Grid point 397 (128/324) ======================= q-point: ( 0.09 0.27 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( -7.949 24.819 25.688) 36.593 3.195 ( 8.947 24.447 25.854) 36.689 4.712 ( 12.616 23.279 40.770) 48.613 5.232 ( -6.957 -21.421 11.849) 25.450 5.776 ( 4.364 -19.790 7.427) 21.584 6.442 ( -7.495 -4.964 14.316) 16.904 9.320 ( -2.856 5.576 21.978) 22.854 10.145 ( -0.991 -10.026 0.024) 10.075 11.361 ( -0.721 8.801 -18.437) 20.443 11.853 ( 4.413 1.594 -5.942) 7.571 16.860 ( -5.390 14.465 7.029) 16.961 17.568 ( 13.786 13.887 1.933) 19.663 18.717 ( -13.265 -17.517 -5.219) 22.584 19.237 ( 7.433 -16.473 -5.069) 18.769 19.790 ( 0.482 2.333 -15.230) 15.415 20.229 ( 0.442 -4.748 -5.081) 6.968 20.434 ( -1.358 -0.684 -5.945) 6.136 20.720 ( -0.735 -4.801 7.864) 9.243 ======================= Grid point 398 (129/324) ======================= q-point: ( 0.18 0.27 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( -3.847 22.863 27.935) 36.302 3.447 ( 15.313 20.443 27.030) 37.189 4.997 ( 3.774 5.096 21.671) 22.579 5.068 ( 1.251 -3.440 20.928) 21.246 5.871 ( 4.057 -20.070 11.815) 23.641 6.231 ( -12.498 -1.087 11.731) 17.175 9.252 ( -3.324 0.632 19.653) 19.942 10.081 ( -5.697 -13.167 1.679) 14.444 11.390 ( 4.008 10.684 -16.914) 20.403 11.949 ( 4.432 1.674 -6.686) 8.194 16.776 ( -2.274 8.901 7.364) 11.774 17.898 ( 17.632 16.427 1.313) 24.134 18.413 ( -16.128 -18.020 -3.222) 24.397 19.362 ( 4.337 -10.589 -5.325) 12.622 19.808 ( 1.421 2.832 -16.806) 17.102 20.234 ( -0.144 -3.718 -12.830) 13.358 20.410 ( -0.711 0.179 1.908) 2.043 20.695 ( -1.808 -3.174 7.691) 8.514 ======================= Grid point 399 (130/324) ======================= q-point: ( 0.27 0.27 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 7.729 15.126 27.315) 32.166 3.801 ( 18.916 17.287 26.254) 36.686 4.741 ( -16.634 -14.765 8.709) 23.886 5.372 ( 15.855 15.366 25.531) 33.754 5.829 ( -12.529 -13.678 28.209) 33.761 6.045 ( -1.286 -0.965 -2.591) 3.049 9.201 ( -1.371 -5.349 17.045) 17.917 9.916 ( -10.061 -15.789 2.349) 18.869 11.519 ( 8.184 10.740 -14.408) 19.746 12.020 ( 2.271 2.174 -7.355) 7.999 16.777 ( 2.455 3.291 7.362) 8.429 18.043 ( -16.242 -14.051 1.772) 21.549 18.292 ( 16.856 14.122 -3.068) 22.203 19.402 ( -0.473 -1.871 -5.266) 5.608 19.853 ( 3.115 2.152 -18.036) 18.429 20.217 ( -1.483 -1.544 -19.487) 19.605 20.412 ( 0.890 0.394 7.987) 8.046 20.648 ( -2.654 -1.377 8.541) 9.049 ======================= Grid point 400 (131/324) ======================= q-point: ( 0.36 0.27 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 18.725 5.627 22.999) 30.187 4.175 ( 11.532 10.477 22.379) 27.269 4.380 ( -12.644 -8.455 12.633) 19.772 5.482 ( -18.930 -2.410 25.956) 32.216 5.667 ( 12.642 10.853 18.690) 25.039 6.055 ( -0.066 -3.675 2.622) 4.515 9.209 ( 2.345 -10.965 13.824) 17.799 9.693 ( -11.346 -17.137 3.640) 20.872 11.699 ( 8.930 9.136 -12.116) 17.608 12.035 ( -0.822 3.232 -8.156) 8.811 16.877 ( 7.308 -2.216 6.741) 10.186 17.687 ( -17.424 -14.511 2.318) 22.793 18.646 ( 16.663 16.252 -3.324) 23.512 19.343 ( -5.274 6.264 -5.627) 9.936 19.931 ( 4.327 1.785 -18.636) 19.214 20.175 ( -2.683 0.446 -21.238) 21.411 20.441 ( 1.786 0.714 9.529) 9.722 20.591 ( -2.878 -0.026 9.747) 10.163 ======================= Grid point 401 (132/324) ======================= q-point: ( 0.45 0.27 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.331 ( 24.479 -1.999 17.570) 30.198 3.841 ( -24.650 -6.784 13.004) 28.684 4.659 ( 20.601 8.199 24.648) 33.154 5.079 ( -20.376 3.595 24.959) 32.420 5.886 ( 8.588 5.554 12.731) 16.331 6.015 ( -4.085 0.378 7.389) 8.451 9.300 ( 6.611 -15.048 9.993) 19.235 9.472 ( -9.954 -17.039 6.306) 20.716 11.867 ( 7.196 6.953 -10.423) 14.449 11.984 ( -4.200 4.868 -9.156) 11.188 17.072 ( 11.759 -7.257 5.538) 14.887 17.350 ( -15.318 -11.480 3.967) 19.549 18.955 ( 13.488 14.853 -4.641) 20.593 19.191 ( -9.555 11.697 -5.522) 16.081 20.022 ( 4.478 2.021 -19.558) 20.166 20.108 ( -3.816 1.683 -20.746) 21.161 20.483 ( 2.312 0.978 10.026) 10.335 20.534 ( -2.680 0.734 10.259) 10.629 ======================= Grid point 407 (133/324) ======================= q-point: ( 0.00 0.36 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.262 ( 0.000 23.398 23.497) 33.160 3.676 ( 0.000 28.206 18.663) 33.821 4.830 ( 0.000 -24.610 14.775) 28.705 5.081 ( 0.000 24.847 36.421) 44.090 5.305 ( 0.000 -21.249 9.768) 23.387 6.336 ( 0.000 -12.418 18.220) 22.050 9.505 ( 0.000 7.627 19.061) 20.530 9.977 ( 0.000 -8.509 5.035) 9.888 11.533 ( 0.000 7.536 -17.561) 19.109 11.810 ( 0.000 -0.769 -9.774) 9.804 17.339 ( 0.000 21.253 7.332) 22.482 17.642 ( 0.000 12.828 1.375) 12.902 18.577 ( 0.000 -16.173 -4.384) 16.757 18.703 ( 0.000 -21.318 1.783) 21.393 19.831 ( 0.000 2.865 -14.144) 14.431 20.115 ( 0.000 -5.727 -7.306) 9.283 20.433 ( 0.000 -0.217 -2.625) 2.634 20.615 ( 0.000 -5.532 7.624) 9.420 ======================= Grid point 408 (134/324) ======================= q-point: ( 0.09 0.36 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.215 ( -5.096 25.431 22.212) 34.148 3.707 ( 4.424 26.460 22.926) 35.288 4.777 ( -4.945 -23.724 13.778) 27.876 5.187 ( 9.363 22.085 32.209) 40.160 5.344 ( 3.579 -21.681 11.694) 24.892 6.290 ( -4.317 -10.358 16.837) 20.234 9.442 ( -5.734 6.649 18.950) 20.886 9.945 ( -3.511 -9.899 6.264) 12.230 11.538 ( 1.097 8.610 -17.280) 19.338 11.860 ( 4.188 -1.085 -10.250) 11.126 17.181 ( -10.118 17.434 7.237) 21.417 17.863 ( 16.178 15.122 0.569) 22.152 18.353 ( -14.174 -18.543 0.277) 23.342 18.898 ( 11.326 -17.292 -2.807) 20.861 19.844 ( 1.262 3.201 -14.707) 15.104 20.125 ( 0.968 -5.450 -8.912) 10.491 20.429 ( -0.313 0.381 -0.929) 1.051 20.620 ( 0.353 -5.086 7.405) 8.990 ======================= Grid point 409 (135/324) ======================= q-point: ( 0.18 0.36 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.077 ( -6.897 26.940 22.838) 35.985 3.879 ( 11.865 22.748 26.613) 36.966 4.633 ( -9.190 -21.812 11.736) 26.419 5.395 ( 7.338 -6.211 21.427) 23.485 5.448 ( 8.618 0.748 20.715) 22.449 6.177 ( -6.237 -4.793 11.585) 14.003 9.296 ( -7.973 3.858 19.436) 21.359 9.822 ( -8.499 -12.549 8.366) 17.312 11.596 ( 4.704 9.773 -16.657) 19.877 11.954 ( 4.620 -1.270 -10.974) 11.974 17.000 ( -7.205 13.363 7.431) 16.903 18.040 ( -15.297 -19.090 0.439) 24.466 18.228 ( 18.084 16.357 0.010) 24.384 19.120 ( 10.243 -13.151 -4.792) 17.344 19.879 ( 2.042 4.004 -16.189) 16.801 20.150 ( 1.284 -4.555 -13.117) 13.945 20.426 ( 0.202 1.549 2.843) 3.244 20.623 ( -0.177 -3.907 7.418) 8.386 ======================= Grid point 410 (136/324) ======================= q-point: ( 0.27 0.36 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( -0.607 22.646 23.078) 32.339 4.160 ( 14.814 18.275 27.579) 36.249 4.403 ( -13.065 -18.612 10.670) 25.118 5.443 ( -1.491 -21.147 28.032) 35.146 5.674 ( 10.981 13.312 17.209) 24.371 6.069 ( -3.490 0.644 1.399) 3.815 9.140 ( -6.815 -0.444 20.346) 21.462 9.611 ( -11.684 -14.399 10.529) 21.324 11.719 ( 6.950 9.143 -15.714) 19.463 12.035 ( 3.066 -0.746 -11.715) 12.133 16.895 ( -2.935 8.431 6.872) 11.265 17.716 ( -15.844 -16.800 2.247) 23.202 18.604 ( 18.098 15.341 -3.274) 23.950 19.304 ( 7.494 -7.330 -5.520) 11.847 19.926 ( 2.560 4.492 -18.206) 18.926 20.171 ( 0.612 -2.982 -17.938) 18.195 20.439 ( 1.050 2.160 6.507) 6.936 20.610 ( -1.105 -2.416 7.988) 8.418 ======================= Grid point 411 (137/324) ======================= q-point: ( 0.36 0.36 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( 8.746 13.241 20.519) 25.939 4.072 ( -17.340 -14.412 10.513) 24.878 4.496 ( 15.943 13.542 29.289) 35.992 5.334 ( -8.880 -11.444 34.595) 37.505 5.869 ( 7.981 8.887 10.059) 15.616 6.042 ( 0.173 1.266 -4.358) 4.541 9.038 ( -2.737 -5.564 20.493) 21.411 9.368 ( -11.578 -14.840 13.217) 22.999 11.863 ( 6.752 7.150 -14.782) 17.754 12.073 ( 0.593 0.496 -12.477) 12.501 16.884 ( 1.829 2.820 5.735) 6.648 17.408 ( -14.152 -13.215 2.848) 19.571 18.949 ( 15.384 13.796 -5.232) 21.316 19.407 ( 2.080 0.027 -5.704) 6.072 19.986 ( 3.439 3.609 -20.157) 20.764 20.169 ( -0.903 -1.083 -20.981) 21.028 20.467 ( 1.634 1.851 8.497) 8.848 20.580 ( -1.752 -1.042 8.734) 8.969 ======================= Grid point 412 (138/324) ======================= q-point: ( 0.45 0.36 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.332 ( 16.025 2.108 16.386) 23.016 3.696 ( -18.850 -7.635 12.624) 23.937 4.816 ( 15.177 7.432 31.366) 35.628 5.106 ( -12.999 -0.841 33.764) 36.189 5.994 ( 4.190 4.898 3.535) 7.352 6.042 ( -0.774 2.069 -1.869) 2.893 9.040 ( 3.058 -10.329 19.079) 21.910 9.160 ( -8.419 -13.564 16.335) 22.840 11.983 ( 4.890 4.688 -13.980) 15.534 12.057 ( -2.232 2.360 -13.232) 13.625 16.970 ( 6.620 -2.972 4.491) 8.533 17.150 ( -10.909 -8.470 3.503) 14.248 19.219 ( 10.799 11.238 -6.229) 16.784 19.379 ( -4.750 6.829 -6.167) 10.355 20.063 ( 3.842 1.978 -21.288) 21.723 20.132 ( -2.722 0.564 -21.741) 21.918 20.503 ( 1.856 1.042 9.094) 9.340 20.542 ( -1.919 0.074 9.146) 9.346 ======================= Grid point 418 (139/324) ======================= q-point: ( 0.00 0.45 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.744 ( 0.000 24.489 19.900) 31.555 4.124 ( 0.000 2.499 14.731) 14.942 4.429 ( 0.000 -1.208 18.172) 18.212 4.820 ( 0.000 -24.424 13.496) 27.904 5.597 ( 0.000 23.742 28.786) 37.314 6.025 ( 0.000 -18.699 22.918) 29.578 9.657 ( 0.000 7.620 14.952) 16.782 9.812 ( 0.000 -7.970 10.412) 13.112 11.670 ( 0.000 6.030 -15.692) 16.810 11.767 ( 0.000 -3.560 -13.174) 13.646 17.769 ( 0.000 20.953 4.619) 21.456 17.901 ( 0.000 11.694 -2.015) 11.867 18.265 ( 0.000 -14.199 0.734) 14.218 18.280 ( 0.000 -19.547 7.451) 20.919 19.903 ( 0.000 4.320 -13.016) 13.714 20.001 ( 0.000 -5.459 -10.880) 12.173 20.450 ( 0.000 2.056 2.408) 3.167 20.515 ( 0.000 -4.285 5.760) 7.179 ======================= Grid point 419 (140/324) ======================= q-point: ( 0.09 0.45 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.723 ( -2.687 25.238 18.861) 31.621 4.139 ( 1.415 -1.162 16.106) 16.210 4.395 ( -2.620 3.202 19.367) 19.804 4.838 ( 1.931 -25.792 15.833) 30.326 5.652 ( 4.928 21.089 25.565) 33.505 6.026 ( 0.113 -16.110 20.539) 26.103 9.586 ( -6.580 7.821 15.568) 18.623 9.755 ( -5.614 -9.013 11.442) 15.610 11.695 ( 2.527 6.914 -15.698) 17.338 11.807 ( 3.562 -4.178 -13.436) 14.515 17.548 ( -12.807 19.109 5.448) 23.640 17.928 ( -10.987 -17.485 0.282) 20.652 18.223 ( 13.010 14.494 3.627) 19.811 18.552 ( 14.171 -17.196 -0.250) 22.284 19.920 ( 1.621 4.360 -13.690) 14.459 20.017 ( 1.457 -5.266 -11.862) 13.060 20.456 ( 0.569 2.441 3.187) 4.055 20.525 ( 0.847 -4.264 5.949) 7.368 ======================= Grid point 420 (141/324) ======================= q-point: ( 0.18 0.45 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.620 ( -6.923 26.910 18.049) 33.133 4.128 ( -4.643 -21.139 14.626) 26.122 4.398 ( 4.996 21.601 24.512) 33.052 4.904 ( 4.465 -26.193 21.606) 34.247 5.775 ( 6.623 15.301 18.472) 24.884 6.029 ( 0.270 -10.051 14.127) 17.340 9.409 ( -10.289 7.415 17.564) 21.665 9.589 ( -10.273 -10.521 13.826) 20.184 11.772 ( 4.820 7.638 -15.767) 18.171 11.896 ( 4.741 -4.618 -13.940) 15.432 17.303 ( -11.006 16.754 6.274) 21.005 17.660 ( -13.689 -18.708 3.859) 23.501 18.546 ( 16.987 15.438 -1.819) 23.026 18.844 ( 14.321 -14.366 -3.547) 20.593 19.964 ( 2.558 4.475 -15.440) 16.278 20.056 ( 2.262 -4.721 -14.394) 15.316 20.472 ( 0.956 3.027 4.869) 5.813 20.543 ( 0.844 -3.921 6.524) 7.658 ======================= Grid point 421 (142/324) ======================= q-point: ( 0.27 0.45 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.475 ( -6.407 25.058 17.762) 31.376 3.964 ( -10.152 -23.287 13.109) 28.587 4.570 ( 10.294 20.895 28.814) 37.052 5.003 ( 4.606 -22.233 28.620) 36.533 5.905 ( 5.911 9.345 10.515) 15.259 6.039 ( 0.706 -3.975 5.511) 6.831 9.190 ( -10.585 5.494 20.370) 23.605 9.355 ( -12.111 -10.837 16.891) 23.440 11.880 ( 5.450 6.821 -15.787) 18.041 11.988 ( 4.095 -3.927 -14.485) 15.557 17.108 ( -7.959 12.629 5.768) 16.004 17.391 ( -12.367 -15.493 4.143) 20.252 18.889 ( 16.209 13.079 -4.763) 21.365 19.125 ( 12.837 -10.473 -5.609) 17.491 20.017 ( 2.553 4.510 -17.795) 18.534 20.102 ( 2.012 -3.877 -17.585) 18.119 20.492 ( 0.931 3.020 6.565) 7.286 20.554 ( 0.179 -3.056 7.258) 7.877 ======================= Grid point 422 (143/324) ======================= q-point: ( 0.36 0.45 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.387 ( -1.764 17.509 16.278) 23.972 3.745 ( -10.787 -17.678 12.449) 24.163 4.779 ( 9.737 14.519 32.601) 36.992 5.069 ( 1.462 -14.283 34.701) 37.554 6.008 ( 4.071 4.811 2.991) 6.976 6.059 ( 1.170 -0.378 -2.127) 2.457 9.001 ( -7.358 2.064 22.854) 24.098 9.120 ( -10.411 -9.563 20.160) 24.623 11.983 ( 4.433 4.851 -15.737) 17.054 12.055 ( 2.320 -2.302 -14.976) 15.329 16.985 ( -3.897 7.238 4.632) 9.436 17.167 ( -9.414 -10.739 3.646) 14.739 19.190 ( 12.828 10.135 -6.395) 17.555 19.349 ( 8.575 -5.619 -6.390) 12.080 20.064 ( 1.993 3.866 -20.439) 20.896 20.131 ( 0.712 -2.694 -20.571) 20.759 20.509 ( 0.718 2.205 7.852) 8.187 20.551 ( -0.498 -1.848 7.982) 8.208 ======================= Grid point 423 (144/324) ======================= q-point: ( 0.45 0.45 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.411 ( 4.044 5.551 14.135) 15.715 3.543 ( -8.596 -7.397 12.664) 17.000 4.952 ( 6.921 6.039 35.897) 37.054 5.054 ( -2.975 -4.068 37.186) 37.526 6.068 ( 1.673 2.214 -2.850) 3.978 6.078 ( 0.464 1.000 -5.138) 5.255 8.910 ( -1.300 -2.343 23.872) 24.022 8.953 ( -5.464 -6.601 22.825) 24.381 12.054 ( 2.418 2.389 -15.607) 15.973 12.079 ( -0.011 -0.100 -15.359) 15.359 16.953 ( 0.723 1.175 3.658) 3.909 17.015 ( -5.341 -5.000 3.324) 8.036 19.394 ( 6.814 6.080 -6.748) 11.355 19.453 ( 1.246 0.364 -6.495) 6.624 20.101 ( 1.644 1.761 -22.508) 22.636 20.128 ( -0.906 -0.880 -22.516) 22.552 20.523 ( 0.668 0.886 8.534) 8.606 20.537 ( -0.731 -0.514 8.519) 8.566 ======================= Grid point 484 (145/324) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 0.000 0.000 33.631) 33.631 2.637 ( 0.000 0.000 35.582) 35.582 4.978 ( 0.000 0.000 57.513) 57.513 6.345 ( 0.000 0.000 -3.417) 3.417 6.372 ( 0.000 0.000 -4.895) 4.895 6.797 ( 0.000 0.000 27.915) 27.915 9.720 ( 0.000 0.000 34.737) 34.737 10.116 ( 0.000 0.000 -20.323) 20.323 10.658 ( 0.000 0.000 -23.651) 23.651 11.826 ( 0.000 0.000 7.749) 7.749 16.409 ( 0.000 0.000 5.665) 5.665 17.031 ( 0.000 0.000 -1.303) 1.303 19.140 ( 0.000 0.000 -23.279) 23.279 19.442 ( 0.000 0.000 -9.046) 9.046 19.723 ( 0.000 0.000 -14.785) 14.785 19.861 ( 0.000 0.000 -26.555) 26.555 20.598 ( 0.000 0.000 11.073) 11.073 21.063 ( 0.000 0.000 6.845) 6.845 ======================= Grid point 485 (146/324) ======================= q-point: ( 0.09 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( 11.581 0.000 31.853) 33.893 2.673 ( 3.842 0.000 35.046) 35.256 5.073 ( 8.981 0.000 55.688) 56.408 6.186 ( -13.527 0.000 1.267) 13.586 6.292 ( -7.683 0.000 -3.579) 8.475 6.864 ( 4.623 0.000 23.564) 24.013 9.622 ( -6.719 0.000 15.884) 17.247 10.294 ( 14.444 0.000 -3.833) 14.944 10.584 ( -6.799 0.000 -23.938) 24.885 11.870 ( 3.804 0.000 7.673) 8.564 16.490 ( 7.841 0.000 5.961) 9.850 17.098 ( 6.473 0.000 -0.465) 6.490 19.062 ( -6.858 0.000 -22.102) 23.142 19.371 ( -6.737 0.000 -8.472) 10.824 19.740 ( 0.967 0.000 -14.296) 14.328 19.848 ( -1.267 0.000 -26.211) 26.242 20.609 ( 1.162 0.000 10.850) 10.912 21.033 ( -2.866 0.000 7.168) 7.720 ======================= Grid point 486 (147/324) ======================= q-point: ( 0.18 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.808 ( 9.752 0.000 32.749) 34.170 2.953 ( 19.506 0.000 27.613) 33.808 5.320 ( 14.417 0.000 50.513) 52.530 5.850 ( -18.808 0.000 4.780) 19.406 6.075 ( -13.053 0.000 0.121) 13.054 6.934 ( 1.788 0.000 21.426) 21.500 9.505 ( -4.334 0.000 -0.709) 4.391 10.402 ( -10.592 0.000 -25.115) 27.258 10.633 ( 17.983 0.000 6.846) 19.242 11.956 ( 3.989 0.000 7.891) 8.842 16.717 ( 14.089 0.000 6.692) 15.598 17.284 ( 11.342 0.000 1.497) 11.441 18.895 ( -9.007 0.000 -19.522) 21.500 19.180 ( -11.722 0.000 -6.650) 13.477 19.737 ( -1.509 0.000 -12.748) 12.837 19.809 ( -2.511 0.000 -25.401) 25.525 20.645 ( 2.172 0.000 10.395) 10.619 20.952 ( -4.873 0.000 8.112) 9.463 ======================= Grid point 487 (148/324) ======================= q-point: ( 0.27 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.075 ( 16.262 0.000 28.326) 32.662 3.394 ( 23.102 0.000 22.542) 32.278 5.437 ( -21.440 0.000 7.033) 22.564 5.579 ( 3.409 0.000 27.589) 27.799 5.832 ( -3.369 0.000 20.817) 21.088 6.928 ( -2.493 0.000 22.418) 22.556 9.451 ( -0.948 0.000 -12.052) 12.089 10.170 ( -11.863 0.000 -26.914) 29.413 11.006 ( 18.225 0.000 10.886) 21.229 12.012 ( 1.151 0.000 8.607) 8.684 17.048 ( 17.987 0.000 7.345) 19.429 17.542 ( 13.575 0.000 3.208) 13.949 18.707 ( -9.335 0.000 -15.602) 18.181 18.906 ( -14.896 0.000 -3.778) 15.368 19.685 ( -3.105 0.000 -12.067) 12.460 19.751 ( -3.110 0.000 -24.201) 24.400 20.688 ( 1.838 0.000 10.499) 10.658 20.846 ( -5.141 0.000 9.539) 10.836 ======================= Grid point 488 (149/324) ======================= q-point: ( 0.36 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.458 ( 20.900 0.000 22.758) 30.898 3.868 ( 22.618 0.000 17.320) 28.488 4.990 ( -21.810 0.000 9.802) 23.911 5.325 ( -18.674 0.000 5.658) 19.512 6.062 ( 16.166 0.000 40.368) 43.484 6.831 ( -6.950 0.000 25.451) 26.383 9.467 ( 2.627 0.000 -20.161) 20.331 9.930 ( -11.338 0.000 -28.305) 30.491 11.362 ( 16.321 0.000 11.949) 20.228 11.992 ( -3.263 0.000 9.624) 10.162 17.435 ( 19.584 0.000 7.224) 20.874 17.820 ( 13.354 0.000 3.170) 13.725 18.514 ( -9.692 0.000 -10.148) 14.033 18.580 ( -16.876 0.000 -0.273) 16.878 19.627 ( -2.214 0.000 -13.614) 13.793 19.687 ( -3.055 0.000 -22.457) 22.664 20.713 ( 0.500 0.000 11.258) 11.269 20.757 ( -3.350 0.000 11.035) 11.533 ======================= Grid point 489 (150/324) ======================= q-point: ( 0.45 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.903 ( 21.774 0.000 17.113) 27.694 4.208 ( 1.915 0.000 12.731) 12.874 4.651 ( -2.741 0.000 13.170) 13.452 4.925 ( -19.748 0.000 9.081) 21.736 6.381 ( 14.619 0.000 35.232) 38.144 6.646 ( -11.163 0.000 29.918) 31.933 9.558 ( 6.213 0.000 -25.505) 26.250 9.717 ( -9.320 0.000 -28.119) 29.623 11.661 ( 12.778 0.000 11.632) 17.280 11.875 ( -8.185 0.000 10.719) 13.487 17.835 ( 19.434 0.000 5.765) 20.271 18.079 ( 11.932 0.000 0.310) 11.936 18.221 ( -18.318 0.000 3.527) 18.654 18.308 ( -10.577 0.000 -4.085) 11.338 19.605 ( 0.154 0.000 -16.710) 16.711 19.631 ( -2.205 0.000 -19.938) 20.060 20.713 ( -0.271 0.000 11.958) 11.961 20.715 ( -0.829 0.000 11.957) 11.986 ======================= Grid point 495 (151/324) ======================= q-point: ( 0.00 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 0.000 11.734 32.008) 34.091 2.769 ( 0.000 12.758 33.883) 36.205 5.035 ( 0.000 5.791 56.397) 56.693 6.228 ( 0.000 -12.708 0.156) 12.709 6.284 ( 0.000 -6.067 -2.268) 6.477 6.853 ( 0.000 3.907 23.429) 23.753 9.735 ( 0.000 1.506 33.206) 33.240 10.110 ( 0.000 -0.586 -18.592) 18.601 10.699 ( 0.000 4.101 -23.131) 23.492 11.817 ( 0.000 -0.972 6.514) 6.586 16.494 ( 0.000 8.447 6.073) 10.403 17.083 ( 0.000 5.120 -0.959) 5.209 19.079 ( 0.000 -5.790 -20.544) 21.344 19.451 ( 0.000 0.721 -10.924) 10.948 19.560 ( 0.000 -11.767 -16.018) 19.875 19.942 ( 0.000 3.729 -23.503) 23.797 20.586 ( 0.000 -1.098 10.960) 11.014 21.043 ( 0.000 -1.982 7.036) 7.309 ======================= Grid point 496 (152/324) ======================= q-point: ( 0.09 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 2.130 5.935 33.958) 34.538 2.888 ( 10.676 15.970 30.517) 36.060 5.130 ( 8.879 5.705 54.386) 55.400 6.056 ( -12.681 -10.948 2.477) 16.935 6.281 ( -4.079 -3.063 -2.958) 5.897 6.865 ( 1.091 0.075 23.244) 23.270 9.633 ( -6.964 1.184 15.574) 17.101 10.272 ( 11.922 -2.076 -2.851) 12.433 10.638 ( -4.783 5.121 -23.471) 24.495 11.861 ( 3.861 -0.896 6.458) 7.577 16.554 ( 5.804 6.337 6.301) 10.656 17.163 ( 7.622 6.326 -0.261) 9.908 18.989 ( -7.846 -6.713 -18.858) 21.499 19.395 ( -5.409 1.804 -10.629) 12.062 19.598 ( 2.751 -10.238 -16.187) 19.350 19.917 ( -2.372 3.071 -23.045) 23.369 20.597 ( 1.114 -1.126 10.694) 10.810 21.016 ( -2.576 -1.695 7.353) 7.974 ======================= Grid point 497 (153/324) ======================= q-point: ( 0.18 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 8.914 -0.163 33.629) 34.791 3.177 ( 17.187 16.347 25.952) 35.159 5.367 ( 13.187 4.598 47.998) 49.988 5.753 ( -16.234 -8.261 6.381) 19.300 6.112 ( -11.837 2.170 -0.707) 12.055 6.883 ( 0.234 -4.885 22.593) 23.116 9.511 ( -4.666 0.632 0.769) 4.771 10.356 ( -7.188 -3.986 -13.727) 15.999 10.697 ( 13.834 5.720 -3.832) 15.453 11.948 ( 4.006 -0.833 6.665) 7.821 16.726 ( 10.815 1.265 6.953) 12.919 17.379 ( 13.119 8.974 1.230) 15.942 18.794 ( -10.884 -8.594 -15.183) 20.563 19.242 ( -9.219 4.708 -9.908) 14.329 19.641 ( 1.073 -7.189 -15.274) 16.916 19.851 ( -3.935 1.874 -22.459) 22.878 20.629 ( 1.841 -1.485 10.205) 10.476 20.944 ( -4.262 -0.824 8.286) 9.354 ======================= Grid point 498 (154/324) ======================= q-point: ( 0.27 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( 16.345 -3.348 29.908) 34.247 3.570 ( 20.823 14.182 21.271) 32.973 5.337 ( -18.826 -7.617 8.258) 21.923 5.670 ( 4.098 6.673 28.885) 29.927 5.861 ( -5.855 2.847 16.273) 17.527 6.861 ( -2.615 -6.570 23.204) 24.257 9.449 ( -1.334 -0.090 -9.274) 9.370 10.145 ( -11.716 -2.480 -21.423) 24.544 11.034 ( 17.392 2.756 6.097) 18.635 12.004 ( 1.196 -0.794 7.234) 7.375 16.985 ( 14.343 -4.605 7.613) 16.878 17.676 ( 15.520 11.598 2.287) 19.509 18.552 ( -12.767 -11.307 -9.932) 19.735 19.033 ( -10.980 8.560 -8.744) 16.440 19.640 ( -0.930 -3.806 -13.738) 14.286 19.768 ( -3.897 1.095 -22.769) 23.126 20.664 ( 1.369 -2.137 10.191) 10.502 20.854 ( -4.268 0.498 9.693) 10.603 ======================= Grid point 499 (155/324) ======================= q-point: ( 0.36 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.398 ( 21.495 -4.184 24.391) 32.779 4.003 ( 20.738 11.589 16.500) 28.924 4.920 ( -20.729 -6.017 10.161) 23.857 5.408 ( -18.889 7.165 4.774) 20.758 6.075 ( 15.102 1.232 39.091) 41.924 6.772 ( -6.238 -5.920 25.568) 26.975 9.458 ( 2.241 -0.879 -16.551) 16.725 9.906 ( -11.299 -2.362 -23.725) 26.385 11.376 ( 15.805 1.455 8.461) 17.986 11.986 ( -3.114 -0.607 7.938) 8.549 17.298 ( 16.123 -9.777 7.418) 20.263 17.994 ( 15.298 13.504 1.940) 20.498 18.274 ( -14.544 -13.828 -3.844) 20.433 18.802 ( -11.595 12.002 -6.598) 17.945 19.616 ( -1.067 -1.081 -14.208) 14.289 19.696 ( -3.160 0.847 -22.352) 22.590 20.682 ( 0.563 -2.086 10.818) 11.032 20.779 ( -2.944 1.342 11.062) 11.525 ======================= Grid point 500 (156/324) ======================= q-point: ( 0.45 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.859 ( 22.923 -3.595 18.650) 29.769 4.249 ( -7.812 2.420 13.549) 15.826 4.658 ( 6.246 2.107 12.465) 14.101 5.003 ( -20.222 7.151 8.104) 22.929 6.368 ( 13.260 -1.313 34.183) 36.688 6.606 ( -9.970 -3.934 29.386) 31.279 9.541 ( 5.893 -1.605 -21.431) 22.285 9.696 ( -9.135 -2.127 -23.807) 25.588 11.666 ( 12.383 0.520 8.904) 15.261 11.874 ( -7.908 -0.173 8.576) 11.667 17.632 ( 16.448 -13.326 5.550) 21.884 17.963 ( -15.835 -14.704 1.711) 21.677 18.292 ( 13.843 14.402 -0.182) 19.977 18.559 ( -12.416 13.984 -3.379) 19.004 19.609 ( 0.601 0.384 -17.004) 17.019 19.640 ( -2.276 0.832 -20.124) 20.270 20.697 ( 1.136 -0.734 11.578) 11.657 20.730 ( -2.022 0.687 11.730) 11.923 ======================= Grid point 506 (157/324) ======================= q-point: ( 0.00 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( 0.000 18.029 28.734) 33.922 3.116 ( 0.000 21.132 29.951) 36.655 5.211 ( 0.000 11.780 52.890) 54.186 5.914 ( 0.000 -18.069 4.616) 18.649 6.108 ( 0.000 -11.403 0.779) 11.430 6.907 ( 0.000 0.957 20.877) 20.899 9.777 ( 0.000 2.555 29.279) 29.391 10.093 ( 0.000 -1.090 -13.847) 13.890 10.816 ( 0.000 7.343 -21.770) 22.975 11.787 ( 0.000 -2.104 3.163) 3.799 16.735 ( 0.000 15.210 6.981) 16.736 17.226 ( 0.000 8.933 -0.202) 8.936 18.925 ( 0.000 -9.331 -15.542) 18.127 19.303 ( 0.000 -13.613 -12.484) 18.471 19.464 ( 0.000 0.544 -13.551) 13.562 19.967 ( 0.000 -1.228 -21.979) 22.013 20.562 ( 0.000 -1.146 10.490) 10.552 20.985 ( 0.000 -3.758 7.559) 8.441 ======================= Grid point 507 (158/324) ======================= q-point: ( 0.09 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( -3.643 16.010 31.649) 35.655 3.260 ( 11.257 20.499 27.052) 35.759 5.300 ( 8.140 11.177 50.282) 52.148 5.785 ( -10.290 -15.770 5.324) 19.569 6.149 ( 1.550 -10.026 -0.278) 10.149 6.859 ( -4.325 -1.031 22.370) 22.807 9.668 ( -7.459 2.275 14.882) 16.802 10.219 ( 7.871 -3.141 0.067) 8.475 10.777 ( -2.152 8.452 -22.470) 24.103 11.832 ( 3.959 -2.039 3.135) 5.446 16.736 ( 0.709 11.579 7.018) 13.559 17.340 ( 10.357 11.060 0.131) 15.153 18.816 ( -9.213 -10.216 -13.489) 19.266 19.360 ( 3.389 -11.342 -11.674) 16.626 19.440 ( -1.512 0.743 -15.133) 15.226 19.938 ( -2.749 -1.022 -21.880) 22.075 20.571 ( 0.862 -1.331 10.251) 10.373 20.966 ( -1.785 -3.242 7.828) 8.659 ======================= Grid point 508 (159/324) ======================= q-point: ( 0.18 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( 3.076 10.533 33.218) 34.983 3.538 ( 15.748 19.166 23.665) 34.284 5.446 ( -4.155 -3.067 22.176) 22.769 5.602 ( 2.254 -0.392 29.393) 29.482 6.116 ( -5.441 -2.651 -1.876) 6.337 6.757 ( -4.876 -7.017 25.272) 26.677 9.532 ( -5.507 1.551 4.547) 7.308 10.259 ( -5.234 -5.521 -1.222) 7.705 10.842 ( 9.878 8.573 -14.155) 19.272 11.920 ( 4.009 -2.035 3.252) 5.549 16.785 ( 4.362 4.944 7.471) 9.964 17.612 ( 15.545 13.609 0.360) 20.663 18.588 ( -12.769 -11.605 -9.867) 19.877 19.325 ( -5.254 2.389 -10.812) 12.256 19.484 ( 3.866 -7.393 -15.833) 17.897 19.865 ( -4.059 -0.404 -22.037) 22.411 20.593 ( 1.245 -1.821 9.819) 10.064 20.917 ( -2.861 -1.890 8.622) 9.279 ======================= Grid point 509 (160/324) ======================= q-point: ( 0.27 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.009 ( 12.321 4.095 31.207) 33.800 3.892 ( 18.717 17.436 19.946) 32.437 5.157 ( -17.827 -10.413 8.005) 22.143 5.815 ( 8.375 7.613 32.218) 34.148 5.935 ( -8.336 4.166 7.487) 11.954 6.674 ( -3.439 -11.745 25.902) 28.648 9.450 ( -2.417 0.330 -2.048) 3.185 10.073 ( -11.277 -4.643 -9.017) 15.167 11.114 ( 15.070 5.199 -4.090) 16.458 11.977 ( 1.316 -1.998 3.402) 4.159 16.915 ( 8.331 -1.754 7.851) 11.581 17.948 ( 16.895 14.717 -0.118) 22.406 18.305 ( -14.803 -13.140 -5.611) 20.574 19.194 ( -7.333 7.116 -10.282) 14.496 19.549 ( 2.435 -5.000 -14.944) 15.945 19.784 ( -3.753 0.364 -22.674) 22.986 20.618 ( 1.208 -2.048 9.700) 9.987 20.856 ( -3.003 -0.414 9.733) 10.194 ======================= Grid point 510 (161/324) ======================= q-point: ( 0.36 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.341 ( 19.656 -0.930 26.390) 32.919 4.278 ( 17.682 15.264 16.091) 28.365 4.774 ( -18.274 -8.361 10.503) 22.675 5.579 ( -17.928 9.517 3.383) 20.577 6.110 ( 12.006 2.181 35.368) 37.414 6.601 ( -4.145 -10.941 25.967) 28.481 9.436 ( 1.122 -1.137 -6.978) 7.159 9.839 ( -11.052 -4.206 -12.143) 16.950 11.418 ( 14.197 2.647 0.081) 14.442 11.965 ( -2.669 -1.626 3.337) 4.572 17.119 ( 11.496 -7.538 7.360) 15.593 17.992 ( -15.651 -14.208 -1.663) 21.203 18.284 ( 15.705 14.845 -1.005) 21.634 19.029 ( -8.949 10.474 -8.381) 16.126 19.587 ( 1.510 -1.740 -15.580) 15.749 19.715 ( -2.956 0.942 -22.524) 22.737 20.645 ( 1.560 -1.401 10.127) 10.342 20.797 ( -2.842 0.291 10.639) 11.016 ======================= Grid point 511 (162/324) ======================= q-point: ( 0.45 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.783 ( 22.930 -3.714 20.704) 31.116 4.242 ( -20.635 -3.379 15.644) 26.114 4.781 ( 18.458 10.164 11.099) 23.816 5.187 ( -20.076 10.858 7.252) 23.949 6.331 ( 9.491 -2.381 31.082) 32.586 6.494 ( -6.536 -7.131 27.707) 29.347 9.498 ( 4.958 -2.531 -10.580) 11.955 9.637 ( -8.548 -3.585 -12.471) 15.539 11.679 ( 11.158 0.692 1.981) 11.353 11.866 ( -7.066 -0.742 2.919) 7.681 17.378 ( 13.780 -11.685 5.540) 18.897 17.675 ( -15.233 -13.858 2.425) 20.736 18.581 ( 13.324 14.136 -3.212) 19.690 18.827 ( -10.899 12.736 -5.814) 17.743 19.619 ( 1.764 0.482 -17.906) 17.999 19.661 ( -2.383 1.179 -20.652) 20.822 20.685 ( 2.367 -0.422 10.730) 10.996 20.739 ( -2.796 0.186 10.974) 11.326 ======================= Grid point 517 (163/324) ======================= q-point: ( 0.00 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.320 ( 0.000 19.818 25.672) 32.431 3.580 ( 0.000 24.577 25.461) 35.388 5.499 ( 0.000 16.698 47.101) 49.973 5.522 ( 0.000 -20.829 7.960) 22.298 5.835 ( 0.000 -15.651 4.866) 16.389 6.881 ( 0.000 -3.659 21.285) 21.597 9.833 ( 0.000 2.971 24.217) 24.399 10.067 ( 0.000 -1.486 -7.217) 7.368 10.984 ( 0.000 9.214 -19.869) 21.901 11.731 ( 0.000 -3.530 -1.438) 3.812 17.083 ( 0.000 19.169 7.531) 20.595 17.428 ( 0.000 10.877 0.198) 10.879 18.717 ( 0.000 -11.161 -10.134) 15.075 19.023 ( 0.000 -14.441 -6.784) 15.955 19.478 ( 0.000 0.992 -15.500) 15.532 19.903 ( 0.000 -4.838 -20.610) 21.170 20.546 ( 0.000 -0.345 9.892) 9.898 20.896 ( 0.000 -5.093 8.259) 9.703 ======================= Grid point 518 (164/324) ======================= q-point: ( 0.09 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.243 ( -5.658 20.757 27.619) 35.010 3.690 ( 9.355 22.342 24.276) 34.292 5.422 ( -8.164 -17.375 8.991) 21.198 5.582 ( 7.071 13.800 43.702) 46.372 5.891 ( 4.344 -15.451 3.984) 16.537 6.813 ( -6.507 -3.812 22.240) 23.484 9.723 ( -7.659 3.221 14.170) 16.426 10.148 ( 4.028 -3.895 3.855) 6.801 10.966 ( -0.375 10.239 -20.823) 23.208 11.777 ( 3.929 -3.601 -1.496) 5.536 17.004 ( -5.173 14.913 7.334) 17.406 17.589 ( 13.064 13.359 0.028) 18.685 18.592 ( -10.303 -12.005 -7.540) 17.525 19.108 ( 6.340 -13.210 -8.323) 16.852 19.470 ( -0.699 1.802 -16.056) 16.172 19.884 ( -1.759 -4.091 -20.799) 21.271 20.551 ( 0.528 -0.475 9.749) 9.775 20.888 ( -0.701 -4.474 8.415) 9.556 ======================= Grid point 519 (165/324) ======================= q-point: ( 0.18 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( -2.483 18.384 29.959) 35.237 3.932 ( 14.113 20.263 22.173) 33.188 5.209 ( -12.478 -15.799 8.134) 21.713 5.766 ( 10.242 11.649 39.501) 42.437 5.977 ( 3.374 -11.520 1.005) 12.046 6.631 ( -10.665 -5.275 25.619) 28.247 9.575 ( -6.485 2.831 9.097) 11.525 10.139 ( -5.374 -6.454 6.736) 10.766 11.031 ( 7.346 10.173 -18.486) 22.343 11.863 ( 3.933 -3.771 -1.650) 5.693 16.926 ( -2.065 9.131 7.644) 12.086 17.896 ( 16.219 13.893 -1.839) 21.435 18.342 ( -13.661 -12.452 -3.916) 18.895 19.232 ( 5.088 -9.945 -8.241) 13.882 19.455 ( -0.451 2.996 -17.827) 18.082 19.837 ( -2.691 -2.379 -21.480) 21.779 20.567 ( 0.996 -0.604 9.432) 9.504 20.867 ( -1.333 -3.075 8.879) 9.490 ======================= Grid point 520 (166/324) ======================= q-point: ( 0.27 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( 5.426 12.128 29.670) 32.509 4.254 ( 17.130 18.677 19.504) 31.979 4.918 ( -15.935 -13.535 8.885) 22.717 5.961 ( 3.838 4.963 17.926) 18.992 6.000 ( 1.848 2.404 13.001) 13.350 6.424 ( -7.894 -11.641 30.837) 33.893 9.467 ( -3.976 1.468 6.921) 8.115 9.964 ( -10.605 -6.125 3.644) 12.777 11.237 ( 11.801 6.997 -12.905) 18.836 11.921 ( 1.544 -3.689 -2.111) 4.522 16.926 ( 2.052 2.876 7.512) 8.301 18.024 ( -14.338 -13.940 -4.151) 20.423 18.253 ( 15.483 14.478 -0.689) 21.208 19.281 ( -0.871 -0.297 -7.399) 7.456 19.476 ( 2.889 -0.395 -19.168) 19.389 19.781 ( -2.688 -0.718 -22.455) 22.627 20.592 ( 1.536 -0.401 9.239) 9.375 20.834 ( -1.903 -1.758 9.485) 9.832 ======================= Grid point 521 (167/324) ======================= q-point: ( 0.36 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.374 ( 13.885 4.286 26.181) 29.944 4.520 ( -11.373 -2.616 14.110) 18.310 4.663 ( 11.146 8.504 13.635) 19.557 5.774 ( -15.046 9.709 2.406) 18.067 6.156 ( 7.294 2.155 29.728) 30.685 6.345 ( -1.004 -14.322 26.982) 30.564 9.419 ( -0.619 -0.462 5.321) 5.377 9.744 ( -10.360 -5.246 1.898) 11.767 11.480 ( 11.508 3.571 -8.961) 15.017 11.919 ( -1.875 -3.013 -3.038) 4.671 17.010 ( 6.190 -3.213 6.552) 9.570 17.711 ( -15.288 -13.765 -0.126) 20.573 18.572 ( 14.891 13.809 -4.185) 20.735 19.210 ( -5.580 7.217 -8.231) 12.287 19.552 ( 3.916 -1.439 -18.573) 19.036 19.730 ( -2.337 0.364 -22.655) 22.778 20.630 ( 2.192 -0.078 9.375) 9.629 20.790 ( -2.423 -0.921 9.904) 10.238 ======================= Grid point 522 (168/324) ======================= q-point: ( 0.45 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.719 ( 19.300 -2.499 21.000) 28.631 4.133 ( -20.665 -7.050 15.921) 27.023 5.033 ( 19.341 14.180 12.606) 27.094 5.423 ( -18.633 12.353 8.741) 24.005 6.273 ( 4.199 -3.437 26.038) 26.598 6.328 ( -1.383 -9.203 24.455) 26.166 9.447 ( 3.434 -2.440 3.584) 5.531 9.559 ( -7.464 -4.069 2.124) 8.763 11.692 ( 9.045 0.654 -6.352) 11.072 11.843 ( -5.604 -1.574 -4.447) 7.325 17.177 ( 10.082 -8.287 4.822) 13.913 17.417 ( -13.321 -11.835 2.545) 18.000 18.848 ( 12.057 12.494 -6.351) 18.488 19.062 ( -8.898 10.601 -7.801) 15.887 19.625 ( 3.178 0.030 -19.605) 19.861 19.682 ( -2.468 0.732 -21.418) 21.572 20.681 ( 2.690 -0.066 9.708) 10.074 20.737 ( -2.757 -0.398 9.957) 10.339 ======================= Grid point 528 (169/324) ======================= q-point: ( 0.00 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.722 ( 0.000 20.381 22.646) 30.467 4.072 ( 0.000 23.963 20.964) 31.839 5.096 ( 0.000 -21.203 11.706) 24.220 5.489 ( 0.000 -18.817 9.234) 20.961 5.858 ( 0.000 18.678 40.144) 44.277 6.758 ( 0.000 -8.712 23.661) 25.214 9.892 ( 0.000 2.886 18.803) 19.023 10.034 ( 0.000 -1.822 0.015) 1.822 11.174 ( 0.000 9.609 -17.499) 19.964 11.643 ( 0.000 -5.271 -6.327) 8.235 17.478 ( 0.000 19.640 6.350) 20.641 17.649 ( 0.000 11.016 -0.695) 11.038 18.491 ( 0.000 -11.084 -4.322) 11.896 18.726 ( 0.000 -15.261 0.043) 15.261 19.510 ( 0.000 2.402 -16.939) 17.109 19.791 ( 0.000 -6.002 -19.736) 20.628 20.552 ( 0.000 1.135 9.606) 9.673 20.787 ( 0.000 -5.631 8.901) 10.533 ======================= Grid point 529 (170/324) ======================= q-point: ( 0.09 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.671 ( -4.664 21.756 23.411) 32.298 4.144 ( 6.926 22.602 21.049) 31.653 5.031 ( -6.027 -20.089 11.546) 23.941 5.542 ( 4.743 -19.271 8.726) 21.680 5.904 ( 4.241 16.830 38.085) 41.853 6.699 ( -5.632 -7.681 23.705) 25.547 9.796 ( -7.069 3.985 13.431) 15.692 10.064 ( 0.382 -4.437 7.490) 8.714 11.176 ( 0.950 10.549 -18.417) 21.246 11.686 ( 3.622 -5.581 -6.519) 9.315 17.318 ( -9.532 16.103 6.262) 19.733 17.848 ( 12.864 11.304 -2.059) 17.248 18.356 ( -9.921 -10.454 -0.179) 14.414 18.838 ( 8.091 -13.820 -3.634) 16.421 19.515 ( 0.429 2.807 -17.299) 17.531 19.787 ( -0.404 -5.357 -19.922) 20.634 20.558 ( 0.569 1.280 9.455) 9.558 20.791 ( 0.336 -5.146 8.926) 10.309 ======================= Grid point 530 (171/324) ======================= q-point: ( 0.18 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.558 ( -5.603 21.888 25.160) 33.815 4.345 ( 12.399 20.654 20.333) 31.524 4.864 ( -10.217 -18.120 11.225) 23.637 5.667 ( 7.223 -18.630 7.538) 21.355 6.012 ( 5.813 12.248 33.326) 35.979 6.535 ( -10.176 -4.890 23.939) 26.468 9.646 ( -7.201 4.302 12.860) 15.354 10.005 ( -6.210 -6.851 11.726) 14.933 11.241 ( 5.561 10.575 -18.781) 22.260 11.766 ( 3.830 -5.915 -7.138) 10.030 17.144 ( -7.251 12.455 6.886) 15.973 17.991 ( -6.575 -10.680 -4.813) 13.434 18.259 ( 8.191 10.367 2.208) 13.396 19.012 ( 8.728 -11.659 -6.439) 15.924 19.526 ( 0.562 3.821 -18.276) 18.680 19.774 ( -0.819 -3.765 -20.614) 20.971 20.576 ( 1.190 1.592 9.124) 9.338 20.796 ( -0.013 -4.058 8.999) 9.871 ======================= Grid point 531 (172/324) ======================= q-point: ( 0.27 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.477 ( -1.618 17.632 25.545) 31.081 4.591 ( -4.105 -5.940 14.448) 16.152 4.661 ( 6.030 8.896 15.916) 19.205 5.825 ( 7.935 -15.307 5.536) 18.108 6.123 ( 4.603 6.569 27.891) 29.021 6.296 ( -13.011 -1.483 25.280) 28.471 9.513 ( -5.705 3.130 14.609) 15.993 9.834 ( -9.752 -6.659 13.098) 17.635 11.388 ( 8.332 7.947 -17.258) 20.746 11.829 ( 2.074 -5.557 -8.227) 10.142 17.029 ( -3.853 7.353 6.468) 10.523 17.737 ( -14.436 -14.378 -0.380) 20.379 18.535 ( 15.059 13.407 -3.816) 20.521 19.181 ( 7.401 -7.850 -7.313) 13.034 19.536 ( 0.469 4.582 -19.980) 20.504 19.754 ( -1.179 -1.999 -21.740) 21.863 20.605 ( 1.660 1.680 8.838) 9.148 20.787 ( -0.839 -2.903 9.090) 9.579 ======================= Grid point 532 (173/324) ======================= q-point: ( 0.36 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.512 ( 5.342 9.468 23.388) 25.791 4.306 ( -15.917 -13.373 12.787) 24.407 4.977 ( 16.951 17.448 17.634) 30.045 5.942 ( -3.623 3.624 -4.888) 7.082 6.044 ( -4.154 -11.629 35.624) 37.704 6.193 ( 1.795 0.684 23.168) 23.247 9.423 ( -2.795 1.025 16.312) 16.582 9.636 ( -9.100 -5.344 14.193) 17.687 11.560 ( 8.084 4.336 -15.260) 17.805 11.845 ( -0.540 -4.287 -9.708) 10.627 16.993 ( 0.489 1.548 5.238) 5.484 17.449 ( -13.318 -12.284 1.170) 18.155 18.830 ( 13.523 11.884 -6.922) 19.288 19.284 ( 1.767 -0.516 -6.779) 7.024 19.556 ( 2.022 2.429 -22.373) 22.595 19.726 ( -1.574 -0.819 -22.498) 22.568 20.642 ( 1.924 1.224 8.743) 9.036 20.762 ( -1.599 -1.844 9.123) 9.443 ======================= Grid point 533 (174/324) ======================= q-point: ( 0.45 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.692 ( 11.924 0.020 19.514) 22.869 3.979 ( -15.632 -7.987 15.572) 23.465 5.325 ( 17.029 14.695 16.618) 27.966 5.665 ( -16.180 11.453 14.732) 24.698 6.128 ( 4.815 -10.364 17.686) 21.057 6.195 ( -1.655 -4.792 19.168) 19.827 9.407 ( 1.363 -1.370 16.658) 16.770 9.481 ( -5.799 -3.559 15.629) 17.046 11.706 ( 6.137 0.831 -13.316) 14.685 11.805 ( -3.435 -2.120 -11.447) 12.138 17.053 ( 5.339 -4.039 3.741) 7.668 17.209 ( -9.922 -8.771 2.373) 13.454 19.075 ( 10.288 10.051 -8.537) 16.725 19.240 ( -5.614 6.828 -8.178) 12.042 19.620 ( 3.632 -0.373 -22.417) 22.712 19.685 ( -2.577 -0.524 -22.416) 22.570 20.683 ( 2.051 0.302 8.848) 9.087 20.725 ( -1.994 -0.786 9.026) 9.277 ======================= Grid point 539 (175/324) ======================= q-point: ( 0.00 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.132 ( 0.000 20.357 18.923) 27.793 4.431 ( 0.000 1.476 15.829) 15.898 4.779 ( 0.000 -0.098 16.737) 16.737 5.093 ( 0.000 -20.442 13.620) 24.564 6.223 ( 0.000 17.305 33.389) 37.607 6.534 ( 0.000 -13.568 27.757) 30.896 9.947 ( 0.000 2.553 13.123) 13.369 9.994 ( 0.000 -2.171 6.910) 7.243 11.359 ( 0.000 8.765 -14.527) 16.966 11.519 ( 0.000 -7.147 -10.800) 12.950 17.822 ( 0.000 12.246 0.474) 12.255 17.847 ( 0.000 7.540 -3.319) 8.238 18.312 ( 0.000 -4.482 3.727) 5.829 18.426 ( 0.000 -13.599 6.606) 15.119 19.576 ( 0.000 4.151 -18.049) 18.521 19.674 ( 0.000 -5.514 -18.969) 19.754 20.595 ( 0.000 3.210 9.493) 10.021 20.679 ( 0.000 -4.988 9.309) 10.561 ======================= Grid point 540 (176/324) ======================= q-point: ( 0.09 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.104 ( -3.064 21.315 19.196) 28.848 4.457 ( 1.771 -5.128 15.767) 16.674 4.760 ( -0.914 6.752 17.045) 18.356 5.132 ( 3.949 -21.373 13.449) 25.559 6.230 ( 0.616 15.320 31.837) 35.337 6.504 ( -2.935 -11.854 26.931) 29.571 9.881 ( -5.460 4.492 12.302) 14.188 9.973 ( -2.888 -4.655 10.375) 11.733 11.379 ( 2.064 9.568 -15.224) 18.099 11.553 ( 2.983 -7.728 -11.222) 13.948 17.634 ( -10.597 15.260 2.976) 18.815 17.896 ( -4.188 -8.803 -3.013) 10.203 18.314 ( 5.322 8.599 4.823) 11.203 18.560 ( 9.422 -13.803 0.741) 16.729 19.585 ( 0.811 4.161 -18.294) 18.779 19.679 ( 0.510 -5.197 -19.137) 19.837 20.605 ( 0.901 3.396 9.344) 9.983 20.689 ( 0.930 -4.861 9.229) 10.472 ======================= Grid point 541 (177/324) ======================= q-point: ( 0.18 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.002 ( -6.615 22.210 20.026) 30.628 4.428 ( -5.824 -19.281 15.381) 25.343 4.820 ( 7.856 20.659 17.473) 28.175 5.257 ( 8.232 -21.819 13.336) 26.864 6.241 ( 0.232 10.313 27.943) 29.786 6.417 ( -5.505 -7.265 24.581) 26.217 9.746 ( -7.398 5.654 14.777) 17.466 9.870 ( -7.014 -6.575 14.403) 17.317 11.446 ( 4.426 9.797 -16.436) 19.639 11.626 ( 3.906 -8.092 -12.322) 15.250 17.415 ( -10.633 14.463 4.800) 18.582 17.712 ( -11.871 -14.993 1.207) 19.162 18.515 ( 12.529 13.194 -1.532) 18.260 18.771 ( 11.088 -12.442 -4.055) 17.152 19.606 ( 1.166 4.193 -19.009) 19.501 19.692 ( 0.643 -4.322 -19.755) 20.233 20.629 ( 1.324 3.542 8.999) 9.762 20.710 ( 0.931 -4.371 9.009) 10.057 ======================= Grid point 542 (178/324) ======================= q-point: ( 0.27 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.856 ( -7.049 19.799 20.267) 29.197 4.249 ( -10.693 -19.135 15.262) 26.710 5.046 ( 13.210 20.497 17.710) 30.138 5.456 ( 10.851 -20.193 14.372) 27.057 6.231 ( -1.362 4.089 22.884) 23.286 6.282 ( -7.595 -1.114 20.826) 22.196 9.593 ( -7.326 4.868 18.753) 20.713 9.704 ( -8.681 -6.179 18.275) 21.155 11.549 ( 5.342 7.979 -17.153) 19.657 11.701 ( 3.247 -7.119 -13.693) 15.771 17.214 ( -8.799 10.941 4.751) 14.823 17.458 ( -12.393 -13.316 2.444) 18.354 18.785 ( 13.435 11.652 -5.902) 18.738 19.001 ( 11.111 -9.969 -7.164) 16.558 19.626 ( 0.662 4.227 -20.208) 20.656 19.701 ( 0.153 -3.218 -20.876) 21.123 20.655 ( 1.185 3.109 8.644) 9.262 20.722 ( 0.245 -3.465 8.752) 9.416 ======================= Grid point 543 (179/324) ======================= q-point: ( 0.36 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.742 ( -3.570 13.179 19.206) 23.565 4.023 ( -10.863 -14.513 15.284) 23.711 5.329 ( 14.139 17.684 19.201) 29.686 5.680 ( 10.587 -17.279 19.062) 27.821 6.108 ( -9.186 5.371 14.033) 17.612 6.182 ( -3.681 -2.039 17.276) 17.781 9.462 ( -5.125 2.867 22.419) 23.176 9.536 ( -7.307 -4.474 21.661) 23.294 11.652 ( 4.567 4.887 -17.252) 18.503 11.752 ( 1.587 -4.951 -15.006) 15.881 17.070 ( -5.033 5.998 3.783) 8.696 17.228 ( -9.796 -9.666 2.422) 13.973 19.045 ( 11.622 9.518 -8.476) 17.249 19.206 ( 8.439 -6.456 -8.268) 13.463 19.628 ( -0.425 3.905 -22.306) 22.649 19.694 ( -0.988 -2.468 -22.235) 22.393 20.676 ( 0.891 2.052 8.430) 8.722 20.720 ( -0.424 -2.253 8.567) 8.869 ======================= Grid point 544 (180/324) ======================= q-point: ( 0.45 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.726 ( 2.176 3.494 17.411) 17.891 3.829 ( -7.673 -6.612 15.923) 18.871 5.608 ( 12.910 13.350 23.622) 30.048 5.817 ( -3.256 -2.491 38.787) 39.004 5.964 ( 0.967 0.005 -6.301) 6.375 6.081 ( -6.197 -6.677 10.005) 13.531 9.397 ( -1.090 0.356 24.362) 24.389 9.422 ( -3.598 -2.196 23.972) 24.339 11.728 ( 2.768 1.392 -16.868) 17.150 11.762 ( -0.569 -2.000 -16.095) 16.229 17.017 ( 0.002 0.505 2.808) 2.853 17.072 ( -5.302 -4.893 2.355) 7.589 19.242 ( 7.270 6.403 -8.837) 13.112 19.312 ( 1.070 -0.074 -7.681) 7.755 19.624 ( 0.689 1.173 -24.840) 24.877 19.660 ( -2.173 -1.864 -23.825) 23.997 20.692 ( 0.766 0.643 8.396) 8.455 20.708 ( -0.716 -0.849 8.460) 8.533 ======================= Grid point 605 (181/324) ======================= q-point: ( 0.00 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( 0.000 0.000 34.274) 34.274 3.346 ( 0.000 0.000 35.737) 35.737 6.053 ( 0.000 0.000 50.250) 50.250 6.247 ( 0.000 0.000 -6.748) 6.748 6.248 ( 0.000 0.000 -7.975) 7.975 7.329 ( 0.000 0.000 24.987) 24.987 9.711 ( 0.000 0.000 -19.791) 19.791 10.184 ( 0.000 0.000 -23.628) 23.628 10.399 ( 0.000 0.000 33.132) 33.132 11.964 ( 0.000 0.000 5.813) 5.813 16.553 ( 0.000 0.000 8.889) 8.889 16.996 ( 0.000 0.000 -1.916) 1.916 18.673 ( 0.000 0.000 -23.323) 23.323 19.251 ( 0.000 0.000 -10.008) 10.008 19.325 ( 0.000 0.000 -27.112) 27.112 19.421 ( 0.000 0.000 -15.174) 15.174 20.817 ( 0.000 0.000 10.744) 10.744 21.184 ( 0.000 0.000 5.236) 5.236 ======================= Grid point 606 (182/324) ======================= q-point: ( 0.09 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.273 ( 8.789 0.000 32.974) 34.125 3.372 ( 2.643 0.000 35.150) 35.250 6.088 ( 1.131 0.000 35.059) 35.077 6.147 ( -9.407 0.000 -4.785) 10.554 6.223 ( -0.178 0.000 7.336) 7.338 7.348 ( 1.559 0.000 23.735) 23.786 9.556 ( -11.998 0.000 -15.220) 19.380 10.103 ( -7.652 0.000 -24.147) 25.330 10.590 ( 15.507 0.000 26.413) 30.628 12.008 ( 3.874 0.000 5.871) 7.034 16.638 ( 8.155 0.000 8.925) 12.089 17.077 ( 7.760 0.000 -1.386) 7.882 18.616 ( -4.967 0.000 -22.232) 22.780 19.191 ( -5.433 0.000 -9.859) 11.257 19.323 ( -0.517 0.000 -26.029) 26.034 19.448 ( 2.011 0.000 -14.817) 14.953 20.825 ( 0.791 0.000 10.575) 10.604 21.161 ( -2.196 0.000 5.594) 6.010 ======================= Grid point 607 (183/324) ======================= q-point: ( 0.18 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.464 ( 6.657 0.000 33.054) 33.717 3.523 ( 15.147 0.000 29.566) 33.220 5.888 ( -15.413 0.000 -0.884) 15.439 5.984 ( -9.709 0.000 1.679) 9.853 6.345 ( 10.236 0.000 40.927) 42.188 7.378 ( 1.026 0.000 22.151) 22.175 9.308 ( -11.369 0.000 -15.890) 19.539 9.893 ( -12.330 0.000 -25.675) 28.483 10.944 ( 18.284 0.000 21.419) 28.162 12.099 ( 4.542 0.000 6.278) 7.749 16.872 ( 14.422 0.000 8.897) 16.946 17.294 ( 12.906 0.000 -0.319) 12.910 18.497 ( -6.144 0.000 -19.819) 20.749 19.042 ( -8.956 0.000 -7.143) 11.455 19.302 ( -1.386 0.000 -25.176) 25.215 19.476 ( 0.317 0.000 -13.292) 13.295 20.850 ( 1.713 0.000 10.071) 10.215 21.099 ( -3.646 0.000 6.595) 7.535 ======================= Grid point 608 (184/324) ======================= q-point: ( 0.27 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.649 ( 11.468 0.000 29.157) 31.331 3.868 ( 18.170 0.000 24.970) 30.881 5.541 ( -18.181 0.000 3.246) 18.469 5.740 ( -13.762 0.000 1.943) 13.898 6.584 ( 12.493 0.000 40.617) 42.495 7.380 ( -0.941 0.000 22.331) 22.351 9.113 ( -7.521 0.000 -20.242) 21.595 9.622 ( -13.781 0.000 -27.776) 31.006 11.312 ( 17.480 0.000 18.388) 25.371 12.172 ( 2.212 0.000 7.269) 7.599 17.205 ( 17.725 0.000 8.355) 19.595 17.575 ( 13.865 0.000 -0.030) 13.865 18.381 ( -5.118 0.000 -16.495) 17.271 18.835 ( -11.165 0.000 -3.209) 11.617 19.273 ( -1.332 0.000 -23.449) 23.486 19.453 ( -2.556 0.000 -11.420) 11.702 20.890 ( 1.944 0.000 9.611) 9.806 21.022 ( -3.667 0.000 7.988) 8.790 ======================= Grid point 609 (185/324) ======================= q-point: ( 0.36 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.926 ( 15.403 0.000 23.957) 28.481 4.240 ( 17.521 0.000 19.887) 26.505 5.166 ( -17.898 0.000 7.623) 19.454 5.437 ( -15.734 0.000 5.389) 16.631 6.836 ( 11.950 0.000 36.808) 38.699 7.335 ( -3.645 0.000 24.473) 24.743 9.009 ( -2.502 0.000 -24.944) 25.069 9.351 ( -12.370 0.000 -29.561) 32.045 11.645 ( 14.931 0.000 15.752) 21.705 12.178 ( -1.825 0.000 8.846) 9.032 17.573 ( 17.781 0.000 6.317) 18.870 17.832 ( 10.820 0.000 -2.098) 11.022 18.292 ( -3.618 0.000 -11.436) 11.995 18.595 ( -12.250 0.000 1.738) 12.373 19.253 ( -0.484 0.000 -20.723) 20.728 19.382 ( -3.995 0.000 -11.065) 11.764 20.922 ( 1.065 0.000 9.666) 9.725 20.961 ( -2.180 0.000 9.314) 9.566 ======================= Grid point 610 (186/324) ======================= q-point: ( 0.45 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.259 ( 16.474 0.000 18.437) 24.725 4.489 ( 0.727 0.000 15.369) 15.386 4.902 ( -1.695 0.000 11.918) 12.038 5.112 ( -15.548 0.000 9.487) 18.214 7.060 ( 9.770 0.000 32.377) 33.819 7.229 ( -6.755 0.000 28.059) 28.861 9.015 ( 3.111 0.000 -28.459) 28.629 9.134 ( -8.492 0.000 -30.020) 31.198 11.912 ( 11.124 0.000 13.234) 17.288 12.093 ( -6.538 0.000 10.886) 12.698 17.900 ( 12.898 0.000 -0.426) 12.905 17.992 ( 3.860 0.000 -7.072) 8.057 18.239 ( -0.723 0.000 -1.635) 1.788 18.348 ( -11.039 0.000 7.086) 13.118 19.259 ( 1.212 0.000 -17.037) 17.080 19.305 ( -3.252 0.000 -13.203) 13.597 20.932 ( 0.092 0.000 10.024) 10.024 20.935 ( -0.448 0.000 10.045) 10.055 ======================= Grid point 616 (187/324) ======================= q-point: ( 0.00 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.274 ( 0.000 8.945 32.800) 33.998 3.448 ( 0.000 9.905 34.343) 35.743 6.091 ( 0.000 3.808 49.102) 49.249 6.161 ( 0.000 -8.352 -6.171) 10.384 6.209 ( 0.000 -3.786 -5.283) 6.500 7.341 ( 0.000 0.941 24.004) 24.022 9.732 ( 0.000 2.091 -18.730) 18.847 10.192 ( 0.000 0.613 -16.629) 16.640 10.430 ( 0.000 3.297 25.369) 25.582 11.938 ( 0.000 -2.614 5.295) 5.905 16.642 ( 0.000 8.744 8.790) 12.398 17.053 ( 0.000 5.589 -1.776) 5.865 18.649 ( 0.000 -2.306 -21.925) 22.046 19.188 ( 0.000 -9.027 -21.297) 23.131 19.243 ( 0.000 -0.780 -10.221) 10.250 19.512 ( 0.000 4.458 -19.236) 19.745 20.804 ( 0.000 -1.237 10.725) 10.796 21.167 ( 0.000 -1.653 5.375) 5.623 ======================= Grid point 617 (188/324) ======================= q-point: ( 0.09 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.313 ( 3.574 5.388 33.740) 34.354 3.510 ( 6.295 11.905 31.921) 34.646 6.020 ( -9.082 -7.521 2.343) 12.022 6.157 ( 0.330 2.105 24.918) 25.009 6.215 ( 1.925 -1.210 11.413) 11.637 7.343 ( 0.173 -0.518 23.534) 23.540 9.573 ( -11.921 1.748 -14.691) 19.000 10.164 ( -6.166 5.963 -23.590) 25.101 10.571 ( 13.845 -1.847 25.891) 29.418 11.983 ( 4.030 -2.424 5.458) 7.204 16.704 ( 5.998 6.476 8.725) 12.412 17.145 ( 8.675 6.593 -1.303) 10.974 18.589 ( -5.287 -2.653 -20.578) 21.411 19.183 ( -3.460 -1.708 -13.308) 13.856 19.228 ( 0.937 -6.009 -18.452) 19.429 19.505 ( -0.647 3.169 -17.948) 18.237 20.810 ( 0.625 -1.383 10.456) 10.565 21.147 ( -1.873 -1.343 5.777) 6.220 ======================= Grid point 618 (189/324) ======================= q-point: ( 0.18 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.420 ( 7.156 0.684 33.832) 34.587 3.706 ( 12.579 12.974 27.156) 32.619 5.778 ( -14.138 -8.269 0.836) 16.400 6.041 ( -9.581 2.691 -1.385) 10.048 6.366 ( 10.296 2.136 41.793) 43.096 7.345 ( -0.163 -3.182 22.827) 23.049 9.333 ( -10.809 2.526 -15.489) 19.056 9.961 ( -12.590 6.587 -22.906) 26.955 10.910 ( 18.016 -3.322 19.622) 26.844 12.077 ( 4.579 -2.235 6.023) 7.889 16.881 ( 11.138 1.321 8.641) 14.159 17.384 ( 14.100 8.357 -0.612) 16.402 18.460 ( -6.878 -3.563 -17.546) 19.180 19.060 ( -7.790 1.575 -8.535) 11.663 19.255 ( 0.928 -4.285 -22.735) 23.154 19.483 ( -1.597 0.377 -14.737) 14.828 20.830 ( 1.271 -1.914 9.762) 10.029 21.096 ( -3.003 -0.445 6.870) 7.511 ======================= Grid point 619 (190/324) ======================= q-point: ( 0.27 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.613 ( 11.890 -1.350 30.783) 33.027 4.004 ( 16.170 11.311 22.398) 29.851 5.459 ( -16.816 -6.832 4.219) 18.635 5.797 ( -13.884 4.260 0.221) 14.525 6.596 ( 11.797 1.208 40.008) 41.728 7.331 ( -1.382 -4.861 23.158) 23.703 9.149 ( -6.992 3.627 -19.143) 20.700 9.683 ( -14.113 5.933 -24.273) 28.698 11.276 ( 17.454 -3.546 16.343) 24.173 12.149 ( 2.091 -2.352 7.007) 7.682 17.143 ( 14.113 -4.480 8.169) 16.911 17.689 ( 15.018 9.541 -1.123) 17.827 18.320 ( -6.712 -5.487 -12.842) 15.494 18.882 ( -9.328 4.157 -6.115) 11.903 19.261 ( -0.193 -1.261 -22.724) 22.760 19.438 ( -2.832 -1.329 -11.827) 12.234 20.858 ( 1.372 -2.673 9.181) 9.660 21.034 ( -2.865 0.741 8.279) 8.792 ======================= Grid point 620 (191/324) ======================= q-point: ( 0.36 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.899 ( 15.912 -1.780 25.638) 30.226 4.342 ( 16.189 9.285 17.708) 25.727 5.108 ( -16.937 -5.262 8.357) 19.606 5.490 ( -15.974 4.740 3.527) 17.031 6.831 ( 10.978 -0.537 36.196) 37.828 7.283 ( -3.445 -5.108 25.040) 25.787 9.054 ( -2.156 4.485 -22.944) 23.477 9.406 ( -12.553 5.461 -25.958) 29.346 11.609 ( 15.002 -3.524 13.942) 20.782 12.152 ( -2.020 -2.681 8.347) 8.997 17.437 ( 14.334 -9.521 6.310) 18.329 17.953 ( 8.548 6.433 -6.080) 12.305 18.205 ( -2.751 -4.868 -3.288) 6.487 18.690 ( -9.348 7.447 -3.823) 12.548 19.256 ( -0.137 0.194 -20.684) 20.686 19.372 ( -3.478 -1.014 -11.212) 11.783 20.883 ( 1.186 -2.617 9.297) 9.731 20.984 ( -2.052 1.166 9.371) 9.664 ======================= Grid point 621 (192/324) ======================= q-point: ( 0.45 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.245 ( 17.415 -1.264 19.845) 26.433 4.536 ( -5.109 3.645 15.159) 16.406 4.893 ( 3.859 -0.030 11.074) 11.727 5.158 ( -16.211 4.510 7.470) 18.410 7.034 ( 8.809 -2.520 32.074) 33.357 7.186 ( -6.076 -4.203 28.192) 29.144 9.065 ( 3.286 4.981 -25.653) 26.338 9.187 ( -8.598 5.223 -26.658) 28.493 11.879 ( 11.266 -3.354 11.847) 16.689 12.063 ( -6.730 -3.054 9.975) 12.415 17.711 ( 12.236 -12.263 1.932) 17.431 17.925 ( -8.207 -10.151 -5.292) 14.086 18.307 ( 9.478 9.085 0.997) 13.166 18.501 ( -9.317 9.972 -1.677) 13.750 19.264 ( 1.155 0.498 -17.127) 17.173 19.305 ( -2.811 0.008 -13.327) 13.621 20.911 ( 1.562 -1.304 9.763) 9.973 20.946 ( -1.804 0.215 9.837) 10.003 ======================= Grid point 627 (193/324) ======================= q-point: ( 0.00 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.515 ( 0.000 14.398 29.298) 32.645 3.722 ( 0.000 16.871 30.804) 35.121 5.933 ( 0.000 -13.938 -2.248) 14.118 6.090 ( 0.000 -7.438 -1.744) 7.640 6.212 ( 0.000 7.654 46.173) 46.803 7.353 ( 0.000 -0.095 22.638) 22.638 9.791 ( 0.000 3.692 -15.779) 16.205 10.199 ( 0.000 -0.105 -3.371) 3.373 10.536 ( 0.000 7.235 10.057) 12.389 11.861 ( 0.000 -5.035 3.851) 6.338 16.888 ( 0.000 15.314 8.311) 17.424 17.207 ( 0.000 9.427 -1.517) 9.548 18.585 ( 0.000 -4.006 -17.985) 18.426 19.007 ( 0.000 -8.839 -17.088) 19.239 19.222 ( 0.000 -1.269 -10.882) 10.956 19.560 ( 0.000 0.232 -18.503) 18.504 20.774 ( 0.000 -1.559 10.552) 10.667 21.119 ( 0.000 -3.148 5.790) 6.590 ======================= Grid point 628 (194/324) ======================= q-point: ( 0.09 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.497 ( -0.808 12.614 31.628) 34.060 3.804 ( 7.338 16.868 27.724) 33.272 5.816 ( -9.450 -12.408 -0.034) 15.597 6.110 ( -0.110 -6.525 -3.567) 7.437 6.276 ( 6.014 6.868 45.074) 45.989 7.324 ( -2.619 -1.512 23.225) 23.421 9.628 ( -11.347 3.823 -12.871) 17.580 10.324 ( 0.719 9.117 -22.303) 24.105 10.523 ( 6.180 -2.283 24.396) 25.270 11.911 ( 4.318 -4.845 4.258) 7.762 16.886 ( 0.759 11.451 8.029) 14.006 17.327 ( 10.598 11.168 -1.260) 15.448 18.516 ( -6.011 -4.453 -16.135) 17.785 19.056 ( 4.021 -8.059 -18.115) 20.230 19.188 ( -3.176 -0.553 -10.852) 11.320 19.539 ( -2.037 -0.005 -17.735) 17.852 20.776 ( 0.250 -1.765 10.129) 10.285 21.107 ( -1.104 -2.682 6.234) 6.875 ======================= Grid point 629 (195/324) ======================= q-point: ( 0.18 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.514 ( 3.053 8.577 33.200) 34.425 4.001 ( 11.731 16.204 23.145) 30.592 5.584 ( -12.987 -10.957 2.476) 17.171 6.052 ( -5.776 -1.902 -3.659) 7.097 6.436 ( 9.164 4.909 41.679) 42.956 7.260 ( -3.361 -5.032 24.426) 25.164 9.411 ( -9.370 5.349 -13.584) 17.347 10.140 ( -13.471 10.728 -14.461) 22.487 10.819 ( 17.621 -5.383 13.100) 22.607 12.008 ( 4.520 -4.827 5.103) 8.352 16.941 ( 4.703 4.871 8.171) 10.611 17.595 ( 14.802 11.898 -2.067) 19.104 18.365 ( -8.383 -5.618 -12.171) 15.811 19.097 ( -5.004 1.950 -11.512) 12.703 19.146 ( 3.824 -6.362 -18.558) 19.987 19.482 ( -3.387 -0.636 -15.828) 16.199 20.785 ( 0.608 -2.264 9.227) 9.520 21.077 ( -1.771 -1.543 7.310) 7.678 ======================= Grid point 630 (196/324) ======================= q-point: ( 0.27 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.636 ( 9.039 3.889 31.608) 33.105 4.272 ( 14.542 15.001 18.528) 27.925 5.294 ( -15.298 -9.439 5.593) 18.826 5.876 ( -11.263 3.168 -2.547) 11.974 6.631 ( 9.584 2.248 38.088) 39.340 7.196 ( -2.893 -8.267 25.504) 26.966 9.256 ( -5.670 7.079 -15.497) 17.956 9.845 ( -14.787 9.770 -14.344) 22.801 11.180 ( 17.273 -5.696 9.867) 20.692 12.075 ( 1.711 -5.224 5.919) 8.078 17.073 ( 8.020 -1.999 7.956) 11.472 17.889 ( 12.042 8.518 -6.004) 15.925 18.197 ( -6.564 -5.200 -5.095) 9.803 18.979 ( -6.182 5.205 -10.315) 13.104 19.215 ( 2.661 -3.509 -19.934) 20.415 19.409 ( -3.502 -1.322 -13.612) 14.117 20.802 ( 1.164 -2.518 8.653) 9.087 21.038 ( -2.027 -0.503 8.404) 8.660 ======================= Grid point 631 (197/324) ======================= q-point: ( 0.36 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.878 ( 14.426 -0.067 27.260) 30.842 4.578 ( 14.443 13.726 14.272) 24.509 4.972 ( -15.393 -8.068 9.199) 19.663 5.608 ( -14.700 6.743 0.062) 16.173 6.815 ( 8.238 -1.107 34.484) 35.472 7.138 ( -2.992 -9.142 26.724) 28.403 9.184 ( -1.288 8.398 -17.064) 19.062 9.559 ( -12.843 9.428 -15.915) 22.520 11.511 ( 14.957 -6.076 8.522) 18.256 12.068 ( -2.481 -5.759 6.564) 9.078 17.258 ( 9.867 -7.928 6.463) 14.212 17.897 ( -8.876 -9.749 -7.451) 15.144 18.274 ( 11.555 9.494 -0.736) 14.973 18.847 ( -6.817 7.916 -8.993) 13.785 19.254 ( 1.237 -0.714 -19.788) 19.840 19.347 ( -2.554 -1.284 -12.320) 12.647 20.835 ( 2.024 -2.072 8.764) 9.230 20.994 ( -2.342 -0.246 9.055) 9.356 ======================= Grid point 632 (198/324) ======================= q-point: ( 0.45 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.207 ( 17.353 -2.577 21.554) 27.791 4.562 ( -16.312 -2.411 16.077) 23.030 4.964 ( 14.910 8.161 7.778) 18.692 5.290 ( -16.156 8.656 3.723) 18.703 6.962 ( 6.146 -4.651 31.233) 32.170 7.066 ( -4.183 -7.638 28.597) 29.893 9.208 ( 3.694 9.122 -17.722) 20.271 9.336 ( -8.769 9.354 -17.278) 21.516 11.781 ( 11.417 -6.272 7.700) 15.132 11.971 ( -7.083 -6.161 7.106) 11.774 17.468 ( 10.645 -11.651 3.303) 16.124 17.688 ( -10.787 -12.502 -1.379) 16.570 18.506 ( 10.457 10.011 -4.335) 15.112 18.696 ( -8.222 9.329 -7.025) 14.282 19.275 ( 1.125 0.443 -17.246) 17.288 19.304 ( -1.710 -0.177 -13.805) 13.911 20.884 ( 2.743 -1.297 9.120) 9.612 20.941 ( -2.770 -0.634 9.262) 9.688 ======================= Grid point 638 (199/324) ======================= q-point: ( 0.00 0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.826 ( 0.000 16.315 25.215) 30.033 4.097 ( 0.000 19.966 26.248) 32.979 5.623 ( 0.000 -16.665 2.313) 16.825 5.903 ( 0.000 -11.075 1.812) 11.223 6.402 ( 0.000 11.048 42.892) 44.292 7.327 ( 0.000 -2.658 22.587) 22.743 9.874 ( 0.000 4.483 -11.541) 12.381 10.187 ( 0.000 -1.032 3.436) 3.587 10.712 ( 0.000 10.140 0.461) 10.150 11.739 ( 0.000 -7.172 1.780) 7.390 17.229 ( 0.000 18.105 6.867) 19.364 17.412 ( 0.000 10.638 -1.584) 10.755 18.494 ( 0.000 -4.851 -12.035) 12.976 18.840 ( 0.000 -7.903 -11.629) 14.060 19.199 ( 0.000 -0.795 -12.082) 12.108 19.523 ( 0.000 -3.704 -16.803) 17.206 20.749 ( 0.000 -0.788 10.143) 10.174 21.043 ( 0.000 -4.322 6.460) 7.773 ======================= Grid point 639 (200/324) ======================= q-point: ( 0.09 0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.792 ( -2.647 16.340 27.480) 32.080 4.165 ( 6.369 18.944 23.687) 30.992 5.538 ( -7.511 -15.135 3.362) 17.228 5.934 ( 2.085 -10.915 0.320) 11.117 6.446 ( 4.113 9.869 41.595) 42.947 7.278 ( -4.606 -3.211 23.460) 24.122 9.724 ( -9.817 5.719 -9.670) 14.920 10.388 ( 14.317 -3.766 5.999) 15.974 10.608 ( -8.974 11.688 -4.668) 15.457 11.790 ( 4.315 -7.277 2.366) 8.784 17.144 ( -4.832 13.811 6.521) 16.019 17.569 ( 11.633 12.374 -1.900) 17.089 18.419 ( -6.668 -5.066 -9.702) 12.816 18.895 ( 4.656 -7.950 -13.134) 16.043 19.182 ( -1.613 0.021 -12.557) 12.661 19.506 ( -1.701 -3.162 -16.456) 16.843 20.748 ( -0.045 -0.882 9.692) 9.732 21.041 ( -0.232 -3.859 6.816) 7.836 ======================= Grid point 640 (201/324) ======================= q-point: ( 0.18 0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.747 ( -1.162 14.197 29.997) 33.207 4.342 ( 10.679 17.681 19.398) 28.336 5.343 ( -11.307 -13.120 5.185) 18.080 5.957 ( -0.323 -7.680 -2.425) 8.060 6.555 ( 6.168 6.792 38.498) 39.576 7.156 ( -6.895 -5.189 25.859) 27.261 9.545 ( -7.418 7.950 -9.568) 14.483 10.343 ( -13.962 7.070 5.766) 16.679 10.733 ( 16.587 -0.949 -5.589) 17.529 11.882 ( 4.062 -7.833 3.174) 9.377 17.075 ( -1.778 8.370 7.224) 11.199 17.821 ( 11.672 9.163 -5.609) 15.864 18.257 ( -7.950 -4.042 -4.676) 10.070 19.005 ( 5.776 -7.517 -14.942) 17.695 19.139 ( -2.472 2.203 -13.399) 13.802 19.456 ( -3.081 -1.982 -15.871) 16.289 20.750 ( 0.390 -0.947 8.808) 8.867 21.033 ( -0.677 -2.892 7.568) 8.130 ======================= Grid point 641 (202/324) ======================= q-point: ( 0.27 0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.768 ( 3.648 9.138 29.871) 31.450 4.591 ( 13.510 16.714 14.875) 26.137 5.084 ( -13.899 -11.527 7.628) 19.602 5.904 ( -5.155 -0.907 -4.514) 6.912 6.682 ( 5.880 2.680 35.033) 35.624 7.021 ( -5.725 -8.521 28.558) 30.347 9.427 ( -4.057 9.864 -9.146) 14.050 10.044 ( -14.684 9.124 1.408) 17.345 11.071 ( 16.146 -4.297 -2.135) 16.844 11.937 ( 1.120 -8.559 3.389) 9.273 17.072 ( 1.440 1.904 7.112) 7.502 17.892 ( -7.302 -7.705 -8.466) 13.578 18.242 ( 9.089 9.167 -1.061) 12.952 19.082 ( -3.207 4.933 -13.135) 14.393 19.120 ( 5.265 -5.859 -16.455) 18.243 19.387 ( -3.365 -0.976 -15.594) 15.983 20.767 ( 1.343 -0.812 8.229) 8.377 21.012 ( -1.402 -2.087 8.206) 8.582 ======================= Grid point 642 (203/324) ======================= q-point: ( 0.36 0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.903 ( 9.532 2.642 26.751) 28.521 4.779 ( -15.071 -8.597 11.947) 21.066 4.886 ( 14.423 14.282 9.325) 22.337 5.743 ( -10.443 6.314 -3.599) 12.723 6.786 ( 4.202 -1.849 32.144) 32.470 6.934 ( -2.940 -10.718 29.596) 31.614 9.382 ( -0.306 11.124 -7.901) 13.648 9.763 ( -12.488 10.372 -1.182) 16.276 11.381 ( 14.028 -6.418 -0.566) 15.437 11.921 ( -2.856 -8.978 2.928) 9.866 17.133 ( 4.597 -4.344 5.780) 8.568 17.676 ( -11.772 -11.571 -3.502) 16.874 18.476 ( 11.777 10.058 -5.612) 16.473 18.999 ( -5.066 7.167 -12.671) 15.414 19.214 ( 3.736 -3.396 -16.624) 17.374 19.330 ( -2.105 -0.404 -15.480) 15.628 20.806 ( 2.376 -0.736 8.156) 8.527 20.975 ( -2.244 -1.618 8.516) 8.954 ======================= Grid point 643 (204/324) ======================= q-point: ( 0.45 0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.147 ( 13.995 -3.210 21.678) 26.002 4.456 ( -15.913 -7.226 16.208) 23.836 5.194 ( 15.130 13.716 4.901) 21.002 5.492 ( -13.828 11.086 0.145) 17.723 6.852 ( 2.398 -6.244 30.252) 30.983 6.891 ( -1.653 -9.635 29.555) 31.130 9.419 ( 3.992 11.593 -5.964) 13.635 9.547 ( -8.558 11.279 -3.634) 14.618 11.636 ( 10.880 -7.947 0.755) 13.495 11.820 ( -7.033 -8.812 1.970) 11.445 17.259 ( 7.725 -9.011 3.386) 12.342 17.445 ( -10.441 -11.424 0.250) 15.478 18.697 ( 9.722 9.014 -8.960) 16.002 18.872 ( -7.434 8.255 -11.292) 15.841 19.271 ( 1.938 -1.179 -16.295) 16.452 19.299 ( -1.138 -0.271 -15.576) 15.619 20.861 ( 2.960 -0.935 8.348) 8.907 20.922 ( -2.872 -1.277 8.527) 9.088 ======================= Grid point 649 (205/324) ======================= q-point: ( 0.00 0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.156 ( 0.000 16.652 21.054) 26.843 4.494 ( 0.000 18.993 21.203) 28.466 5.286 ( 0.000 -16.331 7.379) 17.921 5.651 ( 0.000 -14.076 6.777) 15.622 6.640 ( 0.000 12.424 37.670) 39.666 7.243 ( 0.000 -5.882 24.250) 24.954 9.964 ( 0.000 4.419 -6.776) 8.089 10.158 ( 0.000 -1.873 4.069) 4.479 10.930 ( 0.000 11.451 -3.147) 11.876 11.577 ( 0.000 -9.011 -0.489) 9.024 17.576 ( 0.000 15.590 3.249) 15.925 17.616 ( 0.000 9.427 -2.478) 9.747 18.403 ( 0.000 -3.704 -4.564) 5.878 18.684 ( 0.000 -7.960 -4.757) 9.273 19.199 ( 0.000 0.890 -13.618) 13.647 19.427 ( 0.000 -5.502 -15.743) 16.677 20.748 ( 0.000 0.785 9.630) 9.662 20.950 ( 0.000 -4.871 7.315) 8.789 ======================= Grid point 650 (206/324) ======================= q-point: ( 0.09 0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.131 ( -2.521 17.209 22.609) 28.525 4.545 ( 5.076 18.397 19.472) 27.265 5.226 ( -5.638 -15.379 7.957) 18.210 5.680 ( 2.632 -14.360 5.209) 15.501 6.658 ( 1.587 10.966 36.671) 38.308 7.192 ( -4.851 -5.533 24.824) 25.891 9.852 ( -7.141 6.965 -5.404) 11.345 10.281 ( 7.260 -6.325 8.375) 12.761 10.873 ( -4.025 13.935 -8.331) 16.726 11.620 ( 3.597 -9.682 -0.102) 10.329 17.419 ( -8.056 13.329 3.801) 16.031 17.784 ( 8.462 7.716 -4.243) 12.212 18.337 ( -5.197 -1.950 -1.859) 5.854 18.735 ( 4.378 -8.263 -7.217) 11.812 19.195 ( -0.267 1.477 -14.097) 14.177 19.422 ( -0.489 -4.839 -15.603) 16.343 20.748 ( 0.051 0.960 9.239) 9.289 20.956 ( 0.459 -4.579 7.454) 8.760 ======================= Grid point 651 (207/324) ======================= q-point: ( 0.18 0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.060 ( -3.985 16.705 25.119) 30.429 4.699 ( 9.743 17.414 15.762) 25.429 5.068 ( -9.722 -13.838 9.066) 19.189 5.748 ( 3.779 -13.052 1.488) 13.670 6.697 ( 2.068 7.197 34.296) 35.104 7.055 ( -8.141 -4.899 26.683) 28.324 9.724 ( -5.219 9.821 -3.707) 11.723 10.328 ( -4.228 -7.046 18.854) 20.567 10.869 ( 5.405 12.852 -18.112) 22.856 11.694 ( 3.115 -10.955 -0.086) 11.389 17.267 ( -6.815 10.561 5.356) 13.662 17.869 ( -2.722 -4.857 -7.099) 9.022 18.286 ( 3.086 7.384 0.076) 8.004 18.846 ( 6.372 -8.367 -10.589) 14.924 19.189 ( -0.391 2.855 -14.979) 15.253 19.403 ( -1.476 -3.237 -15.648) 16.048 20.753 ( 0.598 1.318 8.463) 8.586 20.963 ( 0.124 -3.956 7.696) 8.655 ======================= Grid point 652 (208/324) ======================= q-point: ( 0.27 0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.990 ( -2.283 12.798 25.893) 28.973 4.835 ( -12.056 -13.194 11.118) 21.049 4.934 ( 12.207 17.283 11.007) 23.851 5.819 ( 2.630 -7.937 -3.207) 8.955 6.732 ( 1.161 2.308 31.774) 31.879 6.880 ( -8.413 -5.233 29.945) 31.541 9.643 ( -2.685 11.483 -0.633) 11.809 10.156 ( -10.676 0.911 17.521) 20.538 11.055 ( 11.129 3.754 -15.575) 19.507 11.734 ( 0.634 -11.682 -1.102) 11.751 17.148 ( -4.592 5.647 5.462) 9.100 17.697 ( -11.715 -10.706 -3.605) 16.274 18.448 ( 10.574 10.421 -5.054) 15.683 18.986 ( 7.047 -7.439 -13.167) 16.684 19.176 ( -1.112 4.431 -15.331) 15.997 19.364 ( -2.232 -1.538 -16.295) 16.519 20.773 ( 1.322 1.363 7.863) 8.089 20.957 ( -0.752 -3.262 7.874) 8.556 ======================= Grid point 653 (209/324) ======================= q-point: ( 0.36 0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.988 ( 2.383 5.911 24.182) 25.008 4.567 ( -13.548 -11.311 13.231) 22.058 5.205 ( 13.708 16.167 6.666) 22.219 5.827 ( -2.463 1.038 -6.354) 6.894 6.731 ( -2.730 -5.444 32.048) 32.621 6.749 ( -2.400 -4.882 31.001) 31.475 9.616 ( 0.171 11.964 3.430) 12.448 9.939 ( -10.058 6.166 14.672) 18.827 11.283 ( 10.773 -2.455 -11.754) 16.132 11.715 ( -2.529 -11.304 -3.020) 11.970 17.089 ( -0.926 0.029 4.427) 4.523 17.451 ( -11.675 -10.627 -0.999) 15.819 18.668 ( 10.524 9.133 -9.459) 16.841 19.120 ( 4.345 -3.770 -19.338) 20.176 19.132 ( -1.911 4.052 -10.560) 11.471 19.321 ( -1.806 -0.722 -17.017) 17.128 20.806 ( 1.896 0.773 7.643) 7.913 20.933 ( -1.623 -2.462 7.937) 8.467 ======================= Grid point 654 (210/324) ======================= q-point: ( 0.45 0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.094 ( 7.936 -1.696 20.648) 22.185 4.301 ( -12.051 -7.716 16.629) 21.938 5.478 ( 12.773 14.071 1.517) 19.064 5.707 ( -9.100 9.539 -3.909) 13.750 6.695 ( 0.195 -9.101 32.113) 33.378 6.720 ( -1.598 -6.986 30.136) 30.976 9.653 ( 3.516 11.311 7.737) 14.148 9.762 ( -7.108 9.442 11.574) 16.542 11.483 ( 8.642 -6.731 -8.503) 13.867 11.630 ( -5.759 -9.658 -5.569) 12.548 17.117 ( 3.760 -4.984 2.803) 6.844 17.243 ( -8.409 -8.635 0.982) 12.093 18.867 ( 8.823 8.003 -12.676) 17.395 19.025 ( -6.581 7.015 -14.713) 17.578 19.226 ( 3.948 -3.316 -15.637) 16.465 19.285 ( -2.053 -1.397 -16.755) 16.938 20.849 ( 2.204 -0.288 7.713) 8.027 20.894 ( -2.139 -1.454 7.866) 8.280 ======================= Grid point 660 (211/324) ======================= q-point: ( 0.00 0.45 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.487 ( 0.000 16.162 16.702) 23.241 4.736 ( 0.000 -2.549 14.520) 14.742 5.086 ( 0.000 3.973 14.146) 14.694 5.348 ( 0.000 -15.887 11.791) 19.784 6.884 ( 0.000 11.581 32.238) 34.255 7.092 ( 0.000 -9.105 27.564) 29.029 10.047 ( 0.000 3.730 -2.177) 4.319 10.112 ( 0.000 -2.786 1.679) 3.253 11.161 ( 0.000 11.432 -3.618) 11.991 11.381 ( 0.000 -10.498 -2.471) 10.784 17.773 ( 0.000 5.594 -4.090) 6.929 17.795 ( 0.000 4.829 -2.881) 5.624 18.387 ( 0.000 3.148 2.903) 4.282 18.517 ( 0.000 -8.445 1.927) 8.662 19.238 ( 0.000 3.083 -14.881) 15.197 19.319 ( 0.000 -4.926 -15.451) 16.217 20.783 ( 0.000 2.773 9.015) 9.432 20.856 ( 0.000 -4.371 8.220) 9.310 ======================= Grid point 661 (212/324) ======================= q-point: ( 0.09 0.45 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.472 ( -1.805 16.722 17.635) 24.370 4.755 ( 1.196 -6.600 13.982) 15.508 5.066 ( -1.196 8.425 13.856) 16.261 5.368 ( 2.175 -16.588 10.308) 19.651 6.872 ( -1.172 10.174 31.707) 33.320 7.056 ( -3.525 -8.083 27.599) 28.973 9.997 ( -3.322 7.434 -0.540) 8.160 10.145 ( 1.520 -7.200 4.376) 8.562 11.150 ( -0.599 13.472 -6.000) 14.760 11.404 ( 1.951 -11.873 -2.990) 12.398 17.661 ( -7.394 10.577 -0.198) 12.907 17.820 ( -1.667 -4.229 -4.556) 6.435 18.388 ( 1.368 6.927 2.101) 7.367 18.560 ( 3.893 -9.142 -1.427) 10.038 19.243 ( 0.462 3.305 -15.054) 15.419 19.325 ( 0.412 -4.690 -15.381) 16.086 20.788 ( 0.475 3.049 8.727) 9.257 20.864 ( 0.723 -4.405 8.113) 9.260 ======================= Grid point 662 (213/324) ======================= q-point: ( 0.18 0.45 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.399 ( -5.381 16.939 19.599) 26.458 4.726 ( -5.279 -15.119 14.319) 21.483 5.099 ( 5.649 17.306 11.229) 21.389 5.447 ( 5.733 -16.689 6.537) 18.818 6.835 ( -2.410 6.484 30.499) 31.274 6.954 ( -6.259 -5.407 27.927) 29.126 9.931 ( -3.087 10.724 3.440) 11.677 10.144 ( -1.778 -10.387 11.382) 15.511 11.158 ( 1.732 15.008 -11.198) 18.805 11.447 ( 2.013 -13.622 -4.862) 14.603 17.487 ( -9.479 11.215 2.321) 14.866 17.704 ( -9.138 -10.231 -1.957) 13.856 18.474 ( 6.911 10.104 -2.918) 12.584 18.670 ( 6.745 -9.329 -6.530) 13.235 19.254 ( 0.488 3.637 -15.548) 15.975 19.331 ( 0.034 -3.883 -15.587) 16.063 20.801 ( 0.794 3.351 8.128) 8.827 20.880 ( 0.637 -4.252 7.857) 8.956 ======================= Grid point 663 (214/324) ======================= q-point: ( 0.27 0.45 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.266 ( -7.087 14.460 20.716) 26.239 4.557 ( -10.269 -14.436 15.460) 23.513 5.278 ( 10.938 16.888 6.948) 21.287 5.593 ( 8.138 -14.111 1.734) 16.381 6.772 ( -3.800 1.757 29.537) 29.833 6.810 ( -7.620 -2.264 29.210) 30.273 9.875 ( -2.336 11.356 9.114) 14.747 10.076 ( -4.581 -8.043 18.004) 20.244 11.220 ( 4.121 11.724 -15.288) 19.702 11.480 ( 1.068 -13.419 -7.747) 15.532 17.292 ( -9.126 8.592 3.093) 12.910 17.484 ( -11.601 -10.383 0.097) 15.569 18.647 ( 9.445 9.457 -8.163) 15.661 18.826 ( 8.291 -8.487 -10.739) 16.003 19.258 ( -0.322 3.724 -16.096) 16.524 19.322 ( -0.908 -2.670 -16.329) 16.571 20.818 ( 0.822 3.017 7.625) 8.241 20.887 ( 0.027 -3.649 7.629) 8.457 ======================= Grid point 664 (215/324) ======================= q-point: ( 0.36 0.45 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.138 ( -4.787 9.033 20.417) 22.833 4.341 ( -10.221 -11.011 16.478) 22.299 5.515 ( 11.630 14.398 2.145) 18.632 5.753 ( 6.686 -8.538 -3.798) 11.491 6.655 ( -6.734 -0.575 32.393) 33.090 6.686 ( -4.809 -2.773 29.904) 30.415 9.840 ( -0.936 9.765 15.054) 17.969 9.975 ( -4.937 -2.883 21.695) 22.435 11.312 ( 4.635 5.604 -16.610) 18.133 11.487 ( -0.438 -10.919 -10.924) 15.451 17.134 ( -5.901 4.414 2.753) 7.867 17.261 ( -9.637 -8.121 0.964) 12.639 18.841 ( 9.278 8.182 -12.241) 17.403 18.994 ( 7.899 -7.097 -14.061) 17.620 19.231 ( -2.551 4.099 -16.189) 16.894 19.293 ( -1.932 -2.184 -17.034) 17.282 20.834 ( 0.774 1.972 7.401) 7.698 20.881 ( -0.537 -2.579 7.515) 7.963 ======================= Grid point 665 (216/324) ======================= q-point: ( 0.45 0.45 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.092 ( 0.585 1.748 19.181) 19.269 4.166 ( -6.470 -5.496 17.715) 19.645 5.727 ( 8.497 9.908 -3.676) 13.560 5.826 ( -0.463 0.972 -7.509) 7.586 6.562 ( -1.604 -2.963 35.396) 35.556 6.592 ( -3.813 -5.040 32.733) 33.337 9.841 ( 1.131 6.627 19.809) 20.919 9.888 ( -3.397 2.322 22.228) 22.605 11.399 ( 3.729 -0.842 -15.855) 16.310 11.460 ( -2.168 -6.545 -13.788) 15.415 17.065 ( -0.711 -0.211 2.065) 2.194 17.109 ( -4.996 -4.566 1.468) 6.925 19.016 ( 7.681 6.870 -15.232) 18.390 19.136 ( 4.185 -3.543 -21.516) 22.204 19.152 ( -3.467 3.627 -10.631) 11.756 19.238 ( -3.677 -3.371 -16.682) 17.412 20.850 ( 0.804 0.479 7.394) 7.452 20.867 ( -0.792 -1.136 7.454) 7.582 ======================= Grid point 726 (217/324) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.860 ( 0.000 0.000 33.965) 33.965 4.043 ( 0.000 0.000 34.100) 34.100 6.040 ( 0.000 0.000 -13.426) 13.426 6.065 ( 0.000 0.000 -11.846) 11.846 6.948 ( 0.000 0.000 39.392) 39.392 7.756 ( 0.000 0.000 17.275) 17.275 9.363 ( 0.000 0.000 -14.449) 14.449 9.739 ( 0.000 0.000 -20.668) 20.668 11.014 ( 0.000 0.000 28.427) 28.427 12.043 ( 0.000 0.000 1.757) 1.757 16.756 ( 0.000 0.000 11.214) 11.214 16.969 ( 0.000 0.000 -0.419) 0.419 18.241 ( 0.000 0.000 -19.354) 19.354 18.799 ( 0.000 0.000 -25.575) 25.575 19.056 ( 0.000 0.000 -9.259) 9.259 19.139 ( 0.000 0.000 -12.803) 12.803 21.015 ( 0.000 0.000 9.050) 9.050 21.266 ( 0.000 0.000 2.934) 2.934 ======================= Grid point 727 (218/324) ======================= q-point: ( 0.09 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.929 ( 6.569 0.000 32.884) 33.533 4.056 ( 1.405 0.000 33.475) 33.505 5.997 ( -6.497 0.000 -10.457) 12.310 6.005 ( -3.358 0.000 -11.837) 12.304 7.000 ( 4.928 0.000 38.281) 38.597 7.761 ( 0.448 0.000 17.017) 17.023 9.244 ( -10.656 0.000 -14.043) 17.628 9.646 ( -8.782 0.000 -21.311) 23.049 11.129 ( 10.341 0.000 26.161) 28.130 12.089 ( 4.158 0.000 1.958) 4.596 16.839 ( 7.921 0.000 10.967) 13.528 17.056 ( 8.195 0.000 -0.445) 8.207 18.208 ( -2.935 0.000 -18.105) 18.341 18.799 ( 0.011 0.000 -24.816) 24.816 19.022 ( -3.268 0.000 -8.480) 9.088 19.168 ( 2.511 0.000 -12.876) 13.119 21.020 ( 0.449 0.000 8.873) 8.884 21.250 ( -1.526 0.000 3.272) 3.611 ======================= Grid point 728 (219/324) ======================= q-point: ( 0.18 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.107 ( 3.808 0.000 31.420) 31.650 4.116 ( 11.337 0.000 29.905) 31.982 5.813 ( -11.233 0.000 -6.836) 13.150 5.903 ( -6.606 0.000 -7.750) 10.183 7.136 ( 8.107 0.000 35.577) 36.489 7.772 ( 0.524 0.000 16.682) 16.690 8.981 ( -13.983 0.000 -15.232) 20.677 9.405 ( -14.270 0.000 -22.981) 27.051 11.390 ( 14.376 0.000 22.187) 26.438 12.192 ( 5.377 0.000 2.688) 6.011 17.064 ( 13.641 0.000 10.020) 16.926 17.279 ( 12.918 0.000 -0.906) 12.950 18.140 ( -3.275 0.000 -15.292) 15.639 18.800 ( 0.099 0.000 -22.142) 22.142 18.931 ( -5.295 0.000 -6.685) 8.528 19.219 ( 1.974 0.000 -12.270) 12.428 21.035 ( 1.081 0.000 8.327) 8.397 21.208 ( -2.468 0.000 4.203) 4.874 ======================= Grid point 729 (220/324) ======================= q-point: ( 0.27 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.217 ( 7.055 0.000 27.757) 28.639 4.374 ( 13.495 0.000 25.626) 28.962 5.556 ( -13.526 0.000 -1.949) 13.665 5.739 ( -9.429 0.000 -2.409) 9.731 7.315 ( 9.036 0.000 32.190) 33.434 7.779 ( 0.046 0.000 17.009) 17.009 8.711 ( -11.786 0.000 -18.784) 22.175 9.091 ( -15.817 0.000 -24.993) 29.577 11.687 ( 14.262 0.000 18.489) 23.350 12.288 ( 3.706 0.000 4.107) 5.532 17.369 ( 15.512 0.000 7.542) 17.249 17.545 ( 12.231 0.000 -2.650) 12.514 18.091 ( -1.125 0.000 -11.481) 11.536 18.772 ( -4.731 0.000 -6.794) 8.279 18.850 ( -0.493 0.000 -15.038) 15.046 19.233 ( -0.844 0.000 -10.625) 10.658 21.062 ( 1.498 0.000 7.612) 7.758 21.157 ( -2.331 0.000 5.464) 5.940 ======================= Grid point 730 (221/324) ======================= q-point: ( 0.36 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.394 ( 10.116 0.000 22.800) 24.944 4.646 ( 12.565 0.000 20.671) 24.190 5.280 ( -12.913 0.000 3.552) 13.393 5.526 ( -11.271 0.000 3.115) 11.694 7.492 ( 8.093 0.000 28.607) 29.730 7.769 ( -1.123 0.000 18.479) 18.514 8.521 ( -6.394 0.000 -23.017) 23.889 8.785 ( -13.671 0.000 -26.596) 29.904 11.957 ( 11.970 0.000 15.087) 19.259 12.331 ( 0.253 0.000 6.213) 6.218 17.657 ( 11.538 0.000 1.019) 11.583 17.747 ( 7.083 0.000 -5.896) 9.216 18.115 ( 4.127 0.000 -4.540) 6.136 18.640 ( -7.386 0.000 1.998) 7.652 18.886 ( 3.211 0.000 -15.396) 15.728 19.184 ( -3.851 0.000 -9.077) 9.860 21.091 ( 1.121 0.000 7.202) 7.289 21.120 ( -1.198 0.000 6.610) 6.717 ======================= Grid point 731 (222/324) ======================= q-point: ( 0.45 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.619 ( 11.528 0.000 17.436) 20.902 4.801 ( -1.967 0.000 15.369) 15.494 5.115 ( 1.437 0.000 9.477) 9.585 5.290 ( -11.482 0.000 8.103) 14.053 7.636 ( 5.844 0.000 24.963) 25.638 7.727 ( -3.158 0.000 21.311) 21.544 8.463 ( 0.816 0.000 -26.185) 26.198 8.556 ( -8.246 0.000 -27.243) 28.463 12.166 ( 8.348 0.000 11.867) 14.509 12.293 ( -4.033 0.000 8.862) 9.737 17.808 ( 3.673 0.000 -7.394) 8.256 17.830 ( 1.342 0.000 -8.629) 8.732 18.267 ( 9.918 0.000 3.715) 10.591 18.471 ( -9.353 0.000 4.899) 10.559 18.973 ( 5.182 0.000 -11.407) 12.529 19.085 ( -5.510 0.000 -9.058) 10.603 21.105 ( 0.288 0.000 7.223) 7.228 21.107 ( -0.167 0.000 7.198) 7.200 ======================= Grid point 737 (223/324) ======================= q-point: ( 0.00 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.925 ( 0.000 6.201 32.517) 33.103 4.119 ( 0.000 7.387 32.844) 33.664 5.983 ( 0.000 -5.511 -12.024) 13.226 6.048 ( 0.000 -1.787 -10.757) 10.905 6.973 ( 0.000 2.551 38.772) 38.855 7.758 ( 0.000 0.084 17.072) 17.072 9.400 ( 0.000 3.624 -13.925) 14.389 9.774 ( 0.000 3.327 -20.390) 20.660 11.007 ( 0.000 -0.672 27.618) 27.626 12.011 ( 0.000 -3.180 1.649) 3.582 16.837 ( 0.000 7.889 10.450) 13.094 17.026 ( 0.000 5.547 -0.600) 5.579 18.242 ( 0.000 0.129 -18.185) 18.186 18.744 ( 0.000 -4.569 -22.635) 23.091 19.050 ( 0.000 -0.604 -8.944) 8.964 19.182 ( 0.000 3.380 -14.055) 14.455 21.002 ( 0.000 -1.264 9.060) 9.148 21.252 ( 0.000 -1.435 3.014) 3.338 ======================= Grid point 738 (224/324) ======================= q-point: ( 0.09 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.972 ( 4.335 4.538 32.524) 33.125 4.142 ( 2.602 8.015 31.348) 32.461 5.907 ( -6.639 -6.308 -9.493) 13.190 6.030 ( -2.466 -0.209 -10.815) 11.094 7.022 ( 4.637 2.245 37.691) 38.041 7.755 ( -0.246 -0.629 17.051) 17.065 9.266 ( -11.323 2.425 -14.109) 18.253 9.720 ( -6.147 7.043 -20.539) 22.566 11.098 ( 8.647 -2.990 25.502) 27.094 12.062 ( 4.584 -2.678 2.100) 5.709 16.894 ( 5.626 5.392 10.000) 12.677 17.124 ( 9.026 6.554 -0.490) 11.166 18.208 ( -3.015 0.043 -16.880) 17.147 18.758 ( 1.219 -3.533 -22.784) 23.088 19.016 ( -3.203 -0.558 -8.325) 8.937 19.197 ( 1.238 2.297 -13.386) 13.638 21.002 ( 0.052 -1.632 8.709) 8.861 21.240 ( -1.058 -0.992 3.485) 3.774 ======================= Grid point 739 (225/324) ======================= q-point: ( 0.18 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.080 ( 5.814 1.238 32.389) 32.930 4.245 ( 7.878 8.811 26.919) 29.400 5.731 ( -10.338 -6.377 -5.452) 13.314 5.937 ( -6.625 1.565 -8.183) 10.645 7.150 ( 7.561 1.376 35.007) 35.841 7.749 ( -0.291 -2.186 17.069) 17.211 9.004 ( -13.251 2.789 -15.768) 20.784 9.517 ( -13.171 10.660 -20.863) 26.877 11.332 ( 13.485 -5.749 21.126) 25.714 12.172 ( 5.596 -2.032 3.222) 6.770 17.061 ( 10.485 0.527 9.159) 13.932 17.363 ( 13.512 7.335 -1.310) 15.430 18.137 ( -3.439 -0.192 -13.874) 14.295 18.785 ( 1.219 -1.543 -21.844) 21.933 18.928 ( -5.132 -0.249 -6.489) 8.277 19.222 ( 0.887 0.161 -11.938) 11.972 21.006 ( 0.414 -2.528 7.828) 8.236 21.211 ( -1.682 0.104 4.672) 4.967 ======================= Grid point 740 (226/324) ======================= q-point: ( 0.27 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.213 ( 7.603 0.350 29.224) 30.198 4.452 ( 11.767 6.993 22.538) 26.369 5.496 ( -12.465 -5.263 -0.778) 13.553 5.766 ( -9.943 1.989 -3.647) 10.776 7.316 ( 8.310 0.068 31.651) 32.724 7.743 ( -0.402 -3.493 17.511) 17.860 8.758 ( -10.421 4.960 -18.762) 22.027 9.215 ( -15.666 11.814 -22.001) 29.480 11.619 ( 14.157 -6.638 17.090) 23.164 12.269 ( 3.486 -2.110 4.748) 6.257 17.299 ( 12.232 -4.604 7.185) 14.915 17.633 ( 11.781 6.190 -4.335) 13.997 18.088 ( -0.781 -0.123 -9.160) 9.194 18.779 ( -3.953 0.614 -8.902) 9.760 18.847 ( -0.297 -0.219 -13.806) 13.810 19.221 ( -1.100 -1.114 -10.224) 10.344 21.020 ( 0.942 -3.288 7.001) 7.791 21.176 ( -1.647 1.116 5.974) 6.296 ======================= Grid point 741 (227/324) ======================= q-point: ( 0.36 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.396 ( 10.307 0.234 23.845) 25.978 4.701 ( 11.940 5.315 18.246) 22.444 5.237 ( -12.404 -4.109 4.269) 13.747 5.542 ( -11.757 1.599 1.443) 11.953 7.477 ( 7.332 -1.456 28.208) 29.182 7.729 ( -1.144 -3.989 18.983) 19.431 8.596 ( -5.076 7.545 -21.893) 23.706 8.907 ( -13.914 11.826 -23.478) 29.743 11.892 ( 12.325 -6.352 13.795) 19.559 12.303 ( -0.310 -2.928 6.573) 7.202 17.533 ( 10.088 -8.365 2.850) 13.412 17.788 ( 2.850 0.061 -9.346) 9.771 18.143 ( 6.641 3.186 -2.016) 7.636 18.659 ( -6.788 1.745 -0.493) 7.026 18.889 ( 3.442 0.362 -15.122) 15.513 19.174 ( -3.497 -0.975 -8.962) 9.669 21.045 ( 1.459 -3.009 6.832) 7.607 21.145 ( -1.436 1.063 6.781) 7.012 ======================= Grid point 742 (228/324) ======================= q-point: ( 0.45 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.626 ( 11.906 0.343 17.924) 21.521 4.835 ( -4.613 2.920 14.367) 15.369 5.092 ( 4.138 -1.778 8.947) 10.017 5.296 ( -12.042 1.021 6.370) 13.661 7.607 ( 5.255 -2.851 24.876) 25.584 7.689 ( -2.873 -3.744 21.641) 22.150 8.561 ( 1.800 9.741 -24.044) 26.004 8.671 ( -8.811 11.169 -24.452) 28.289 12.111 ( 8.969 -5.418 11.037) 15.219 12.252 ( -4.734 -4.161 8.660) 10.711 17.697 ( 5.952 -8.699 -3.251) 11.030 17.782 ( -2.533 -5.831 -8.194) 10.371 18.320 ( 9.510 4.443 0.926) 10.538 18.505 ( -8.395 2.994 1.338) 9.013 18.978 ( 5.059 0.481 -11.330) 12.417 19.084 ( -5.070 -0.120 -9.096) 10.414 21.079 ( 1.806 -1.698 7.048) 7.471 21.115 ( -1.649 -0.126 7.074) 7.264 ======================= Grid point 748 (229/324) ======================= q-point: ( 0.00 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.093 ( 0.000 10.196 28.788) 30.540 4.324 ( 0.000 12.721 29.469) 32.097 5.829 ( 0.000 -9.574 -8.321) 12.685 5.992 ( 0.000 -3.793 -7.665) 8.552 7.049 ( 0.000 5.009 36.874) 37.212 7.755 ( 0.000 -0.485 16.870) 16.877 9.501 ( 0.000 6.363 -12.521) 14.045 9.863 ( 0.000 5.217 -19.362) 20.053 10.994 ( 0.000 -0.293 25.093) 25.095 11.919 ( 0.000 -5.964 1.434) 6.134 17.055 ( 0.000 13.395 8.157) 15.683 17.178 ( 0.000 9.203 -1.112) 9.270 18.248 ( 0.000 0.536 -14.900) 14.910 18.650 ( 0.000 -4.338 -18.148) 18.659 19.032 ( 0.000 -1.146 -8.096) 8.177 19.240 ( 0.000 1.838 -13.827) 13.949 20.970 ( 0.000 -1.807 8.973) 9.154 21.210 ( 0.000 -2.689 3.279) 4.240 ======================= Grid point 749 (230/324) ======================= q-point: ( 0.09 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.111 ( 1.645 9.100 29.964) 31.359 4.353 ( 2.981 12.549 27.247) 30.146 5.752 ( -6.655 -9.027 -6.326) 12.876 5.994 ( -0.681 -3.309 -8.294) 8.955 7.089 ( 3.724 4.359 35.857) 36.313 7.736 ( -1.803 -1.358 17.287) 17.434 9.346 ( -11.723 5.623 -13.659) 18.858 9.906 ( 0.335 10.900 -19.031) 21.934 11.017 ( 3.430 -4.795 23.636) 24.360 11.982 ( 5.469 -5.339 2.489) 8.039 17.045 ( 0.760 9.471 7.616) 12.177 17.301 ( 9.934 10.589 -1.113) 14.562 18.212 ( -3.206 0.442 -13.462) 13.846 18.679 ( 2.601 -3.951 -18.993) 19.573 19.000 ( -2.935 -0.964 -7.896) 8.479 19.237 ( -0.354 1.291 -12.888) 12.957 20.962 ( -0.654 -2.166 8.344) 8.645 21.209 ( -0.137 -2.177 3.938) 4.502 ======================= Grid point 750 (231/324) ======================= q-point: ( 0.18 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.159 ( 3.153 6.442 31.398) 32.207 4.454 ( 6.943 11.777 22.262) 26.125 5.583 ( -9.644 -8.265 -2.781) 13.002 5.941 ( -4.827 -1.380 -7.760) 9.243 7.190 ( 5.925 2.588 33.300) 33.922 7.691 ( -2.355 -3.522 18.172) 18.659 9.106 ( -11.009 7.485 -15.362) 20.328 9.802 ( -10.228 17.174 -17.045) 26.269 11.168 ( 11.038 -10.483 18.523) 23.975 12.104 ( 5.744 -4.968 4.254) 8.704 17.104 ( 4.752 3.794 7.974) 10.028 17.534 ( 11.963 8.976 -3.901) 15.457 18.136 ( -3.647 0.255 -9.857) 10.513 18.741 ( 3.107 -2.755 -20.017) 20.443 18.924 ( -4.297 -0.116 -6.822) 8.064 19.222 ( -1.087 -0.195 -10.996) 11.051 20.950 ( -0.335 -2.767 7.197) 7.718 21.202 ( -0.585 -1.179 5.205) 5.368 ======================= Grid point 751 (232/324) ======================= q-point: ( 0.27 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.249 ( 5.916 3.329 29.718) 30.483 4.629 ( 9.965 10.341 17.338) 22.513 5.367 ( -11.345 -7.313 1.490) 13.580 5.798 ( -8.946 0.979 -5.551) 10.573 7.317 ( 6.242 0.100 30.164) 30.804 7.648 ( -1.782 -5.777 19.176) 20.106 8.917 ( -7.202 11.011 -17.010) 21.505 9.534 ( -14.878 19.399 -15.698) 29.054 11.431 ( 13.981 -11.902 13.644) 22.875 12.194 ( 2.682 -5.683 5.674) 8.467 17.225 ( 6.817 -2.498 7.167) 10.202 17.729 ( 5.128 2.332 -9.221) 10.805 18.106 ( 2.272 2.596 -3.852) 5.171 18.786 ( -0.562 -0.359 -15.577) 15.591 18.849 ( -1.058 0.688 -8.872) 8.961 19.193 ( -1.828 -1.639 -9.352) 9.669 20.955 ( 0.884 -2.946 6.518) 7.207 21.184 ( -1.250 -0.537 6.157) 6.305 ======================= Grid point 752 (233/324) ======================= q-point: ( 0.36 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.403 ( 9.139 0.457 25.003) 26.625 4.848 ( 11.125 9.073 12.958) 19.339 5.127 ( -11.921 -6.559 6.099) 14.911 5.588 ( -11.319 2.961 -2.101) 11.886 7.436 ( 5.209 -2.654 27.188) 27.809 7.616 ( -1.421 -7.002 20.566) 21.772 8.821 ( -2.030 14.752 -18.051) 23.400 9.232 ( -14.060 19.974 -16.110) 29.261 11.712 ( 13.119 -11.470 10.630) 20.413 12.205 ( -1.698 -7.121 6.730) 9.944 17.368 ( 6.908 -7.742 4.405) 11.272 17.724 ( -3.875 -5.872 -9.166) 11.555 18.237 ( 8.820 5.637 -2.647) 10.797 18.703 ( -5.625 2.396 -6.254) 8.746 18.899 ( 3.994 0.551 -13.946) 14.517 19.147 ( -2.733 -1.686 -8.678) 9.253 20.987 ( 2.248 -2.570 6.467) 7.313 21.150 ( -2.030 -0.611 6.596) 6.928 ======================= Grid point 753 (234/324) ======================= q-point: ( 0.45 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.615 ( 11.462 -1.733 18.883) 22.157 4.859 ( -11.905 -2.367 13.146) 17.893 5.104 ( 11.512 4.702 6.642) 14.098 5.348 ( -12.061 4.395 2.229) 13.029 7.526 ( 3.574 -5.152 24.646) 25.431 7.582 ( -2.088 -6.762 22.451) 23.540 8.840 ( 4.003 17.773 -18.125) 25.699 8.984 ( -9.894 19.518 -17.255) 27.867 11.953 ( 10.281 -10.336 8.822) 17.039 12.123 ( -6.270 -8.801 7.662) 13.247 17.502 ( 6.212 -10.199 0.036) 11.942 17.622 ( -5.624 -9.445 -4.831) 12.008 18.416 ( 8.358 4.830 -4.185) 10.521 18.573 ( -7.050 3.545 -5.007) 9.346 18.990 ( 4.656 0.564 -11.126) 12.074 19.079 ( -3.934 -0.495 -9.209) 10.026 21.042 ( 2.954 -1.909 6.640) 7.514 21.101 ( -2.751 -1.190 6.713) 7.352 ======================= Grid point 759 (235/324) ======================= q-point: ( 0.00 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.315 ( 0.000 11.725 23.950) 26.666 4.607 ( 0.000 14.992 24.719) 28.910 5.615 ( 0.000 -11.528 -3.203) 11.965 5.894 ( 0.000 -6.132 -3.038) 6.843 7.170 ( 0.000 6.893 33.732) 34.430 7.734 ( 0.000 -1.792 17.369) 17.461 9.644 ( 0.000 7.634 -10.702) 13.146 9.965 ( 0.000 4.488 -17.007) 17.589 11.007 ( 0.000 1.907 20.520) 20.609 11.777 ( 0.000 -8.088 1.414) 8.211 17.343 ( 0.000 14.587 4.284) 15.203 17.375 ( 0.000 9.997 -1.887) 10.173 18.266 ( 0.000 1.421 -9.983) 10.083 18.579 ( 0.000 -2.682 -13.781) 14.040 19.008 ( 0.000 -1.096 -7.071) 7.156 19.245 ( 0.000 -1.375 -11.472) 11.554 20.937 ( 0.000 -1.308 8.596) 8.695 21.146 ( 0.000 -3.596 3.799) 5.231 ======================= Grid point 760 (236/324) ======================= q-point: ( 0.09 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.320 ( 0.320 11.433 25.370) 27.828 4.627 ( 2.238 14.542 22.617) 26.982 5.553 ( -5.567 -10.658 -1.935) 12.179 5.899 ( 0.039 -6.261 -4.062) 7.464 7.193 ( 2.176 5.930 32.858) 33.460 7.699 ( -3.192 -2.311 18.021) 18.447 9.489 ( -10.327 8.545 -12.310) 18.199 10.119 ( 9.250 9.145 -16.956) 21.370 10.931 ( -5.217 -2.718 20.262) 21.099 11.849 ( 5.833 -8.023 3.005) 10.365 17.255 ( -3.520 11.007 4.514) 12.406 17.520 ( 8.697 10.541 -2.906) 13.971 18.230 ( -3.267 1.498 -8.434) 9.168 18.609 ( 2.662 -3.101 -14.874) 15.426 18.983 ( -2.280 -0.639 -7.327) 7.700 19.238 ( -0.802 -1.287 -10.883) 10.988 20.925 ( -1.000 -1.367 7.884) 8.064 21.154 ( 0.582 -3.288 4.444) 5.559 ======================= Grid point 761 (237/324) ======================= q-point: ( 0.18 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.325 ( 0.307 9.874 27.891) 29.588 4.708 ( 5.725 13.456 17.464) 22.778 5.405 ( -8.630 -9.402 0.880) 12.792 5.877 ( -2.411 -5.003 -5.786) 8.020 7.251 ( 3.318 3.408 30.688) 31.054 7.616 ( -4.647 -3.852 19.650) 20.556 9.302 ( -7.525 11.986 -13.137) 19.310 10.180 ( -5.130 20.058 -13.982) 24.983 10.924 ( 6.561 -13.512 15.827) 21.821 11.967 ( 5.002 -8.904 4.845) 11.304 17.209 ( -1.108 6.536 6.176) 9.060 17.685 ( 6.207 5.234 -7.536) 11.077 18.162 ( -2.173 2.786 -4.532) 5.746 18.678 ( 3.968 -3.414 -16.779) 17.577 18.928 ( -2.800 0.692 -7.530) 8.063 19.209 ( -2.064 -1.309 -9.767) 10.068 20.907 ( -0.476 -1.314 6.785) 6.927 21.162 ( 0.111 -2.751 5.428) 6.087 ======================= Grid point 762 (238/324) ======================= q-point: ( 0.27 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.345 ( 1.998 6.187 27.887) 28.635 4.855 ( 8.448 12.064 11.802) 18.873 5.210 ( -10.296 -8.270 4.830) 14.062 5.795 ( -5.653 -1.540 -6.738) 8.929 7.319 ( 3.165 0.080 28.163) 28.340 7.526 ( -3.887 -6.074 21.507) 22.684 9.191 ( -3.232 16.159 -12.927) 20.944 9.965 ( -13.716 23.099 -7.995) 28.029 11.154 ( 13.947 -15.583 8.463) 22.561 12.033 ( 1.248 -10.515 5.638) 11.996 17.205 ( 0.672 0.507 6.242) 6.298 17.710 ( -3.944 -3.783 -9.337) 10.819 18.199 ( 5.945 6.282 -3.053) 9.172 18.756 ( 2.800 -2.586 -17.673) 18.079 18.880 ( -1.308 2.320 -7.538) 7.995 19.159 ( -2.590 -1.718 -8.800) 9.333 20.912 ( 1.015 -1.176 6.171) 6.364 21.154 ( -0.971 -2.346 6.028) 6.541 ======================= Grid point 763 (239/324) ======================= q-point: ( 0.36 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.418 ( 5.266 1.179 24.634) 25.218 4.972 ( -8.244 -6.586 7.149) 12.745 5.062 ( 7.045 9.920 8.784) 15.007 5.651 ( -8.262 2.982 -5.698) 10.470 7.375 ( 2.196 -3.366 26.050) 26.359 7.463 ( -2.202 -7.850 22.905) 24.312 9.172 ( 1.424 19.976 -11.714) 23.201 9.677 ( -13.758 23.837 -6.766) 28.341 11.443 ( 13.853 -15.117 5.776) 21.302 12.013 ( -3.308 -12.183 5.656) 13.833 17.237 ( 2.464 -5.150 4.554) 7.303 17.579 ( -7.684 -8.216 -5.882) 12.694 18.353 ( 8.033 5.780 -6.351) 11.759 18.743 ( -3.682 1.248 -13.199) 13.760 18.913 ( 3.883 0.965 -11.001) 11.706 19.110 ( -2.218 -1.930 -8.560) 9.051 20.948 ( 2.442 -1.238 6.046) 6.637 21.122 ( -2.126 -2.095 6.261) 6.936 ======================= Grid point 764 (240/324) ======================= q-point: ( 0.45 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.560 ( 8.536 -3.448 19.406) 21.479 4.757 ( -10.586 -6.577 13.689) 18.512 5.261 ( 10.249 9.694 2.308) 14.295 5.466 ( -9.746 6.925 -2.416) 12.198 7.409 ( 1.249 -6.295 24.647) 25.469 7.431 ( -1.137 -7.986 23.778) 25.110 9.251 ( 6.242 22.695 -9.801) 25.497 9.424 ( -10.690 23.917 -7.840) 27.346 11.703 ( 11.384 -14.484 5.163) 19.133 11.900 ( -7.710 -13.543 5.333) 16.471 17.309 ( 4.662 -8.747 1.596) 10.039 17.427 ( -6.838 -9.696 -2.013) 12.034 18.508 ( 7.096 4.396 -9.182) 12.409 18.641 ( -5.928 3.173 -11.045) 12.930 18.996 ( 3.860 0.014 -10.649) 11.327 19.063 ( -2.639 -1.169 -9.350) 9.786 21.006 ( 3.134 -1.535 6.151) 7.072 21.070 ( -2.959 -1.859 6.266) 7.174 ======================= Grid point 770 (241/324) ======================= q-point: ( 0.00 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.553 ( 0.000 11.938 18.771) 22.246 4.896 ( 0.000 12.759 18.621) 22.573 5.390 ( 0.000 -9.923 3.213) 10.430 5.746 ( 0.000 -8.695 2.481) 9.042 7.317 ( 0.000 7.604 29.708) 30.666 7.681 ( 0.000 -3.572 18.970) 19.304 9.796 ( 0.000 7.300 -9.135) 11.694 10.025 ( 0.000 1.224 -13.230) 13.286 11.080 ( 0.000 5.517 14.111) 15.151 11.601 ( 0.000 -9.403 2.067) 9.628 17.560 ( 0.000 8.219 -2.878) 8.708 17.600 ( 0.000 10.135 -0.793) 10.166 18.311 ( 0.000 3.226 -4.530) 5.561 18.535 ( 0.000 -2.055 -9.503) 9.723 18.997 ( 0.000 0.242 -6.336) 6.340 19.189 ( 0.000 -3.991 -8.494) 9.385 20.923 ( 0.000 0.075 7.886) 7.887 21.070 ( 0.000 -3.915 4.640) 6.071 ======================= Grid point 771 (242/324) ======================= q-point: ( 0.09 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.555 ( -0.017 11.932 19.884) 23.189 4.913 ( 1.838 12.992 17.202) 21.635 5.342 ( -4.535 -9.595 3.695) 11.237 5.745 ( -0.107 -9.091 1.200) 9.170 7.319 ( 0.207 6.523 29.126) 29.848 7.641 ( -3.702 -3.541 19.541) 20.202 9.681 ( -6.786 10.433 -10.297) 16.153 10.210 ( 13.522 -1.074 -11.538) 17.808 10.962 ( -10.202 6.602 12.784) 17.638 11.662 ( 4.627 -10.654 3.507) 12.133 17.467 ( -5.375 9.837 1.169) 11.270 17.688 ( 4.281 5.466 -5.225) 8.689 18.281 ( -2.393 3.874 -3.524) 5.758 18.551 ( 1.606 -2.898 -10.643) 11.147 18.983 ( -1.191 0.923 -6.849) 7.013 19.187 ( -0.359 -3.650 -8.488) 9.247 20.914 ( -0.736 0.386 7.309) 7.356 21.081 ( 0.844 -3.916 5.028) 6.429 ======================= Grid point 772 (243/324) ======================= q-point: ( 0.18 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.539 ( -1.781 11.213 22.675) 25.359 4.981 ( 4.990 13.207 12.776) 19.041 5.214 ( -7.851 -9.253 5.416) 13.289 5.740 ( -0.372 -8.679 -2.189) 8.958 7.323 ( 0.116 3.716 27.724) 27.972 7.540 ( -5.872 -3.662 21.153) 22.256 9.576 ( -3.237 15.245 -9.550) 18.279 10.506 ( 14.336 0.422 -12.722) 19.171 10.717 ( -12.442 4.755 14.071) 19.376 11.745 ( 2.993 -13.314 4.460) 14.356 17.355 ( -5.611 7.771 3.534) 10.215 17.721 ( -2.070 -1.566 -7.527) 7.962 18.256 ( 1.085 6.291 -2.872) 7.001 18.604 ( 3.541 -4.137 -12.988) 14.084 18.957 ( -1.256 2.282 -7.897) 8.316 19.167 ( -1.668 -2.858 -8.669) 9.279 20.903 ( -0.160 0.944 6.424) 6.495 21.095 ( 0.425 -3.844 5.519) 6.739 ======================= Grid point 773 (244/324) ======================= q-point: ( 0.27 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.490 ( -2.536 8.172 24.112) 25.586 5.026 ( -9.640 -7.036 7.781) 14.247 5.116 ( 7.391 10.822 7.803) 15.253 5.727 ( -1.082 -5.442 -6.011) 8.180 7.321 ( -0.397 0.128 26.266) 26.269 7.418 ( -5.674 -4.403 23.354) 24.433 9.550 ( 0.652 19.443 -7.225) 20.752 10.419 ( -13.714 19.607 5.357) 24.519 10.835 ( 14.990 -13.807 -3.447) 20.669 11.771 ( -0.579 -15.685 4.073) 16.215 17.245 ( -4.863 3.416 4.311) 7.342 17.602 ( -8.593 -6.514 -5.619) 12.160 18.334 ( 5.871 6.880 -6.077) 10.896 18.686 ( 4.031 -4.325 -15.460) 16.552 18.937 ( -0.573 3.285 -8.632) 9.254 19.122 ( -2.572 -2.104 -8.907) 9.507 20.911 ( 0.936 1.055 5.864) 6.031 21.094 ( -0.597 -3.540 5.789) 6.812 ======================= Grid point 774 (245/324) ======================= q-point: ( 0.36 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.457 ( -0.198 2.952 22.746) 22.937 4.817 ( -10.298 -7.969 11.634) 17.462 5.285 ( 8.670 11.263 2.144) 14.374 5.687 ( -3.024 0.092 -7.910) 8.468 7.306 ( -1.028 -3.343 25.461) 25.700 7.323 ( -3.409 -5.670 25.077) 25.935 9.601 ( 4.259 22.414 -3.861) 23.139 10.146 ( -12.751 21.466 5.279) 25.519 11.131 ( 13.731 -14.865 -2.989) 20.456 11.719 ( -4.523 -17.046 2.760) 17.851 17.170 ( -2.209 -1.426 3.669) 4.513 17.412 ( -9.208 -8.065 -2.707) 12.536 18.466 ( 6.583 5.559 -10.157) 13.319 18.738 ( 0.306 -1.893 -17.365) 17.471 18.943 ( 1.463 2.095 -8.588) 8.960 19.072 ( -2.125 -1.828 -9.074) 9.497 20.940 ( 1.862 0.434 5.689) 6.002 21.071 ( -1.607 -2.897 5.891) 6.759 ======================= Grid point 775 (246/324) ======================= q-point: ( 0.45 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.496 ( 4.139 -2.480 19.486) 20.075 4.624 ( -8.214 -6.306 15.539) 18.673 5.457 ( 7.907 9.346 -2.843) 12.568 5.598 ( -5.749 5.587 -6.638) 10.408 7.281 ( -0.686 -6.503 25.681) 26.500 7.286 ( -0.899 -5.743 25.314) 25.973 9.722 ( 7.584 23.781 -0.163) 24.961 9.907 ( -10.513 23.370 3.093) 25.811 11.388 ( 11.350 -16.413 -1.138) 19.987 11.589 ( -8.222 -17.249 0.906) 19.130 17.165 ( 1.944 -5.334 2.070) 6.043 17.250 ( -6.302 -7.614 -0.114) 9.885 18.593 ( 5.767 4.113 -13.608) 15.341 18.695 ( -3.997 2.018 -16.228) 16.834 18.989 ( 2.510 -0.628 -9.295) 9.648 19.034 ( -1.863 -1.646 -9.411) 9.734 20.983 ( 2.333 -0.687 5.753) 6.245 21.031 ( -2.243 -1.901 5.862) 6.558 ======================= Grid point 781 (247/324) ======================= q-point: ( 0.00 0.45 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.789 ( 0.000 11.533 13.575) 17.813 4.988 ( 0.000 -6.125 10.335) 12.014 5.341 ( 0.000 7.539 11.620) 13.851 5.549 ( 0.000 -10.850 8.159) 13.575 7.465 ( 0.000 6.996 25.479) 26.422 7.590 ( 0.000 -5.464 21.741) 22.417 9.926 ( 0.000 5.561 -8.592) 10.235 10.010 ( 0.000 -2.621 -9.882) 10.224 11.223 ( 0.000 8.507 8.002) 11.679 11.408 ( 0.000 -9.696 4.024) 10.498 17.690 ( 0.000 4.472 -3.993) 5.995 17.721 ( 0.000 1.900 -4.141) 4.556 18.395 ( 0.000 4.835 -2.334) 5.369 18.483 ( 0.000 -3.515 -5.204) 6.280 19.026 ( 0.000 2.665 -6.027) 6.590 19.100 ( 0.000 -4.486 -6.487) 7.887 20.943 ( 0.000 1.868 6.902) 7.151 20.996 ( 0.000 -3.340 5.746) 6.647 ======================= Grid point 782 (248/324) ======================= q-point: ( 0.09 0.45 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.792 ( -0.063 11.588 14.312) 18.415 4.999 ( 0.724 -7.219 10.142) 12.470 5.312 ( -2.485 9.248 10.945) 14.543 5.538 ( -0.755 -11.429 6.782) 13.312 7.446 ( -1.732 6.069 25.308) 26.083 7.557 ( -3.157 -4.914 21.995) 22.757 9.896 ( -1.091 10.852 -8.202) 13.647 10.098 ( 6.613 -8.785 -7.552) 13.340 11.168 ( -4.671 12.613 6.273) 14.841 11.426 ( 1.172 -12.700 4.176) 13.421 17.635 ( -4.549 6.723 -2.112) 8.388 17.723 ( -1.237 -1.712 -4.899) 5.334 18.380 ( -0.879 5.550 -2.925) 6.335 18.482 ( 0.261 -4.271 -6.349) 7.657 19.024 ( -0.153 3.146 -6.567) 7.284 19.103 ( 0.124 -4.425 -6.909) 8.205 20.942 ( -0.045 2.349 6.579) 6.986 21.003 ( 0.603 -3.664 5.762) 6.855 ======================= Grid point 783 (249/324) ======================= q-point: ( 0.18 0.45 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.765 ( -3.087 11.233 16.805) 20.448 4.982 ( -3.496 -10.284 11.171) 15.582 5.282 ( 0.910 13.120 7.439) 15.110 5.535 ( 0.825 -11.729 2.526) 12.026 7.397 ( -3.021 3.648 24.985) 25.430 7.469 ( -5.266 -3.542 22.814) 23.680 9.901 ( 1.517 16.985 -5.296) 17.856 10.243 ( 7.003 -16.890 -1.774) 18.370 11.062 ( -5.103 19.849 1.761) 20.570 11.438 ( -0.284 -17.344 3.089) 17.619 17.509 ( -7.683 7.469 0.133) 10.716 17.643 ( -6.759 -5.670 -3.835) 9.620 18.389 ( 2.220 6.600 -5.460) 8.849 18.510 ( 2.695 -5.347 -9.118) 10.908 19.018 ( -0.441 3.731 -7.896) 8.744 19.097 ( -0.755 -3.946 -8.023) 8.972 20.943 ( 0.242 2.980 6.025) 6.726 21.015 ( 0.458 -4.005 5.690) 6.974 ======================= Grid point 784 (250/324) ======================= q-point: ( 0.27 0.45 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.665 ( -6.240 9.133 19.132) 22.099 4.850 ( -8.679 -9.259 13.705) 18.678 5.360 ( 5.978 11.958 1.805) 13.490 5.577 ( 3.056 -9.445 -2.887) 10.338 7.327 ( -3.696 0.656 24.962) 25.243 7.354 ( -5.719 -2.135 24.240) 24.997 9.954 ( 3.626 20.654 -0.473) 20.975 10.356 ( 3.364 -18.599 8.550) 20.745 10.986 ( -1.630 21.490 -6.722) 22.576 11.412 ( -2.277 -20.081 0.552) 20.217 17.337 ( -8.615 5.694 1.579) 10.447 17.465 ( -9.942 -6.881 -1.772) 12.220 18.467 ( 4.969 6.351 -9.366) 12.359 18.586 ( 4.464 -5.544 -12.481) 14.368 19.006 ( -0.713 3.513 -9.184) 9.859 19.072 ( -1.678 -2.927 -9.193) 9.793 20.951 ( 0.521 2.878 5.646) 6.359 21.019 ( -0.068 -3.757 5.620) 6.761 ======================= Grid point 785 (251/324) ======================= q-point: ( 0.36 0.45 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.539 ( -5.301 5.258 19.668) 21.038 4.664 ( -8.745 -7.121 15.786) 19.400 5.495 ( 6.650 9.273 -3.261) 11.868 5.640 ( 2.600 -4.963 -7.127) 9.065 7.248 ( -4.205 -1.568 26.031) 26.415 7.253 ( -3.537 -1.847 25.538) 25.848 10.044 ( 5.085 21.141 5.434) 22.413 10.363 ( -2.561 -5.636 16.743) 17.851 11.011 ( 3.855 8.560 -13.240) 16.230 11.345 ( -4.224 -19.732 -3.116) 20.419 17.181 ( -6.160 2.589 2.066) 6.994 17.269 ( -8.643 -6.007 -0.071) 10.526 18.575 ( 5.236 5.296 -13.480) 15.401 18.673 ( 3.519 -4.337 -16.270) 17.202 18.990 ( -0.804 2.405 -9.126) 9.471 19.035 ( -1.830 -2.012 -9.580) 9.959 20.964 ( 0.724 1.919 5.527) 5.895 21.013 ( -0.566 -2.820 5.610) 6.305 ======================= Grid point 786 (252/324) ======================= q-point: ( 0.45 0.45 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.474 ( -0.667 0.507 18.961) 18.980 4.519 ( -4.991 -3.934 17.565) 18.679 5.612 ( 4.429 5.578 -7.274) 10.181 5.664 ( -0.594 0.506 -8.859) 8.893 7.190 ( -1.270 -2.239 27.055) 27.178 7.197 ( -1.796 -2.759 26.636) 26.839 10.157 ( 5.844 17.778 11.405) 21.916 10.275 ( -5.457 9.280 16.131) 19.394 11.119 ( 6.104 -6.565 -11.811) 14.828 11.242 ( -5.728 -15.604 -7.512) 18.241 17.103 ( -1.289 -0.811 1.844) 2.392 17.134 ( -4.278 -3.837 1.113) 5.854 18.668 ( 3.667 3.237 -17.303) 17.981 18.711 ( -0.145 -0.699 -18.960) 18.973 18.982 ( 0.251 0.226 -8.031) 8.038 19.001 ( -1.419 -1.489 -8.839) 9.075 20.980 ( 0.856 0.378 5.557) 5.635 20.998 ( -0.833 -1.338 5.602) 5.820 ======================= Grid point 847 (253/324) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.515 ( 0.000 0.000 31.327) 31.327 4.679 ( 0.000 0.000 29.052) 29.052 5.709 ( 0.000 0.000 -19.498) 19.498 5.772 ( 0.000 0.000 -17.592) 17.592 7.595 ( 0.000 0.000 25.379) 25.379 7.986 ( 0.000 0.000 5.215) 5.215 9.166 ( 0.000 0.000 -4.840) 4.840 9.384 ( 0.000 0.000 -14.646) 14.646 11.511 ( 0.000 0.000 21.275) 21.275 12.019 ( 0.000 0.000 -4.576) 4.576 16.965 ( 0.000 0.000 8.369) 8.369 16.988 ( 0.000 0.000 2.313) 2.313 17.953 ( 0.000 0.000 -7.937) 7.937 18.326 ( 0.000 0.000 -21.518) 21.518 18.903 ( 0.000 0.000 -5.647) 5.647 18.933 ( 0.000 0.000 -7.571) 7.571 21.170 ( 0.000 0.000 6.384) 6.384 21.296 ( 0.000 0.000 0.039) 0.039 ======================= Grid point 848 (254/324) ======================= q-point: ( 0.09 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.563 ( 4.575 0.000 30.289) 30.632 4.680 ( 0.219 0.000 28.587) 28.588 5.702 ( -0.695 0.000 -18.391) 18.404 5.729 ( -4.113 0.000 -16.457) 16.963 7.628 ( 3.193 0.000 24.564) 24.770 7.992 ( 0.614 0.000 5.598) 5.631 9.048 ( -10.939 0.000 -4.916) 11.993 9.278 ( -9.989 0.000 -15.275) 18.251 11.592 ( 7.531 0.000 20.061) 21.428 12.071 ( 4.756 0.000 -4.159) 6.318 17.040 ( 7.173 0.000 7.949) 10.707 17.069 ( 7.567 0.000 1.798) 7.778 17.946 ( -0.543 0.000 -6.592) 6.615 18.338 ( 1.174 0.000 -21.075) 21.108 18.888 ( -1.395 0.000 -4.575) 4.783 18.955 ( 2.047 0.000 -8.184) 8.436 21.170 ( 0.069 0.000 6.172) 6.173 21.287 ( -0.915 0.000 0.340) 0.976 ======================= Grid point 849 (255/324) ======================= q-point: ( 0.18 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.691 ( 7.735 0.000 27.341) 28.415 4.692 ( 1.126 0.000 26.875) 26.899 5.612 ( -7.004 0.000 -13.182) 14.927 5.677 ( -1.811 0.000 -15.003) 15.112 7.717 ( 5.310 0.000 22.402) 23.023 8.009 ( 0.946 0.000 6.553) 6.621 8.759 ( -16.334 0.000 -6.014) 17.406 9.005 ( -16.015 0.000 -16.736) 23.164 11.789 ( 11.016 0.000 17.368) 20.567 12.192 ( 6.653 0.000 -2.948) 7.277 17.237 ( 11.392 0.000 6.126) 12.934 17.270 ( 11.239 0.000 0.177) 11.240 17.941 ( 0.450 0.000 -3.107) 3.140 18.375 ( 2.596 0.000 -19.692) 19.863 18.851 ( -2.069 0.000 -1.636) 2.638 19.004 ( 2.392 0.000 -9.060) 9.370 21.174 ( 0.357 0.000 5.552) 5.564 21.262 ( -1.404 0.000 1.168) 1.827 ======================= Grid point 850 (256/324) ======================= q-point: ( 0.27 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.732 ( 2.830 0.000 23.488) 23.658 4.864 ( 8.797 0.000 22.837) 24.473 5.455 ( -8.072 0.000 -8.068) 11.412 5.624 ( -3.442 0.000 -9.508) 10.112 7.834 ( 5.894 0.000 19.541) 20.411 8.027 ( 0.648 0.000 7.448) 7.476 8.423 ( -15.765 0.000 -8.848) 18.078 8.659 ( -17.016 0.000 -17.844) 24.657 12.018 ( 10.966 0.000 14.256) 17.986 12.322 ( 5.672 0.000 -1.020) 5.763 17.466 ( 9.979 0.000 1.524) 10.095 17.488 ( 9.345 0.000 -2.484) 9.669 17.986 ( 4.601 0.000 2.083) 5.051 18.446 ( 4.270 0.000 -17.064) 17.590 18.809 ( -1.991 0.000 2.096) 2.891 19.038 ( 0.566 0.000 -8.878) 8.896 21.186 ( 0.767 0.000 4.694) 4.756 21.234 ( -1.156 0.000 2.283) 2.559 ======================= Grid point 851 (257/324) ======================= q-point: ( 0.36 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.810 ( 4.814 0.000 18.502) 19.118 5.030 ( 6.648 0.000 16.413) 17.708 5.301 ( -6.169 0.000 -0.795) 6.220 5.536 ( -5.186 0.000 -2.718) 5.855 7.948 ( 5.081 0.000 16.760) 17.513 8.028 ( -0.728 0.000 6.175) 6.218 8.148 ( -10.509 0.000 -12.983) 16.703 8.345 ( -13.042 0.000 -15.809) 20.494 12.221 ( 8.739 0.000 11.021) 14.065 12.411 ( 2.801 0.000 1.522) 3.187 17.612 ( 4.425 0.000 -3.718) 5.780 17.630 ( 4.402 0.000 -5.082) 6.723 18.141 ( 10.096 0.000 6.059) 11.775 18.534 ( 3.334 0.000 -11.884) 12.343 18.778 ( -0.515 0.000 3.505) 3.542 19.018 ( -2.535 0.000 -7.657) 8.066 21.203 ( 0.816 0.000 4.021) 4.103 21.219 ( -0.381 0.000 3.265) 3.287 ======================= Grid point 852 (258/324) ======================= q-point: ( 0.45 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.924 ( 6.263 0.000 12.538) 14.015 5.049 ( -4.950 0.000 7.981) 9.391 5.289 ( 5.134 0.000 8.447) 9.885 5.417 ( -6.407 0.000 4.104) 7.609 7.993 ( -2.187 0.000 -3.630) 4.238 7.995 ( -1.952 0.000 -2.830) 3.437 8.057 ( 3.296 0.000 1.007) 3.446 8.150 ( -6.199 0.000 -4.365) 7.582 12.365 ( 5.201 0.000 7.734) 9.320 12.429 ( -1.092 0.000 4.508) 4.638 17.668 ( 1.446 0.000 -5.680) 5.861 17.677 ( 0.640 0.000 -6.105) 6.139 18.357 ( 10.084 0.000 4.958) 11.237 18.520 ( -5.107 0.000 -0.636) 5.146 18.825 ( 4.987 0.000 -2.980) 5.810 18.937 ( -5.199 0.000 -6.095) 8.011 21.215 ( 0.314 0.000 3.807) 3.819 21.217 ( 0.053 0.000 3.737) 3.738 ======================= Grid point 858 (259/324) ======================= q-point: ( 0.00 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.550 ( 0.000 3.443 29.927) 30.124 4.730 ( 0.000 5.001 27.813) 28.259 5.681 ( 0.000 -2.706 -17.946) 18.149 5.775 ( 0.000 0.304 -16.582) 16.585 7.609 ( 0.000 1.441 24.887) 24.929 7.987 ( 0.000 0.094 5.350) 5.351 9.209 ( 0.000 4.165 -4.772) 6.334 9.422 ( 0.000 3.730 -14.484) 14.957 11.491 ( 0.000 -1.898 20.803) 20.890 11.987 ( 0.000 -3.114 -4.441) 5.424 17.025 ( 0.000 5.828 7.165) 9.236 17.039 ( 0.000 4.931 1.895) 5.282 17.976 ( 0.000 2.253 -7.031) 7.383 18.319 ( 0.000 -0.488 -19.440) 19.446 18.906 ( 0.000 0.236 -5.138) 5.144 18.958 ( 0.000 2.364 -8.251) 8.583 21.157 ( 0.000 -1.260 6.394) 6.517 21.283 ( 0.000 -1.317 0.075) 1.319 ======================= Grid point 859 (260/324) ======================= q-point: ( 0.09 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.591 ( 3.840 2.838 29.294) 29.680 4.731 ( 0.233 4.895 27.098) 27.537 5.650 ( -3.077 -3.705 -16.162) 16.864 5.757 ( -1.630 1.410 -16.386) 16.527 7.640 ( 2.890 1.129 24.043) 24.242 7.989 ( 0.147 -0.366 5.814) 5.827 9.057 ( -12.769 1.560 -6.524) 14.423 9.376 ( -5.945 8.852 -13.385) 17.113 11.545 ( 5.345 -4.601 18.826) 20.103 12.054 ( 5.924 -1.743 -3.123) 6.920 17.067 ( 5.057 3.250 6.238) 8.663 17.138 ( 8.196 6.003 1.951) 10.345 17.968 ( -0.638 2.148 -5.762) 6.182 18.333 ( 1.361 -0.318 -19.402) 19.452 18.885 ( -1.669 -0.163 -4.504) 4.806 18.979 ( 1.671 2.114 -8.196) 8.627 21.147 ( -0.792 -2.072 5.706) 6.122 21.283 ( -0.037 -0.487 0.831) 0.964 ======================= Grid point 860 (261/324) ======================= q-point: ( 0.18 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.687 ( 4.330 1.296 28.036) 28.398 4.757 ( 3.447 4.632 24.018) 24.702 5.557 ( -5.896 -4.109 -12.064) 14.043 5.711 ( -2.934 1.942 -14.449) 14.871 7.720 ( 4.745 0.243 21.810) 22.321 7.992 ( 0.174 -1.561 6.817) 6.995 8.757 ( -15.533 1.521 -8.476) 17.761 9.168 ( -13.851 14.226 -13.408) 23.959 11.701 ( 9.580 -8.235 15.113) 19.698 12.196 ( 7.319 -0.126 -0.824) 7.366 17.217 ( 9.052 -0.104 5.712) 10.704 17.342 ( 10.862 5.130 -0.784) 12.039 17.961 ( 0.430 1.978 -2.467) 3.191 18.375 ( 2.741 -0.030 -18.751) 18.950 18.846 ( -2.086 -0.476 -1.903) 2.863 19.015 ( 1.631 1.003 -8.487) 8.701 21.131 ( -0.598 -3.363 4.547) 5.687 21.279 ( -0.390 0.889 2.156) 2.365 ======================= Grid point 861 (262/324) ======================= q-point: ( 0.27 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.746 ( 2.677 1.459 23.566) 23.762 4.887 ( 7.992 2.347 20.863) 22.464 5.419 ( -7.369 -3.183 -6.908) 10.590 5.635 ( -4.538 0.736 -9.804) 10.829 7.823 ( 5.173 -1.038 18.824) 19.549 7.994 ( -0.070 -2.789 7.236) 7.755 8.461 ( -12.736 4.862 -9.915) 16.857 8.845 ( -16.907 16.683 -14.336) 27.743 11.915 ( 10.840 -9.473 11.752) 18.584 12.329 ( 5.312 -0.171 1.272) 5.465 17.405 ( 8.611 -3.437 3.067) 9.766 17.536 ( 7.208 2.144 -4.631) 8.831 18.010 ( 4.978 2.315 2.096) 5.876 18.446 ( 4.216 0.061 -16.669) 17.193 18.805 ( -1.866 -0.397 1.616) 2.501 19.035 ( 0.077 -0.244 -8.321) 8.324 21.129 ( 0.433 -3.854 3.805) 5.434 21.267 ( -0.748 1.528 3.118) 3.552 ======================= Grid point 862 (263/324) ======================= q-point: ( 0.36 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.818 ( 4.466 0.744 17.900) 18.463 5.048 ( 6.959 1.754 15.589) 17.162 5.270 ( -6.569 -2.864 -0.477) 7.182 5.528 ( -5.938 -0.753 -3.460) 6.914 7.922 ( 4.319 -2.377 15.341) 16.113 7.990 ( -0.161 -2.393 6.019) 6.479 8.258 ( -6.917 8.917 -9.201) 14.561 8.513 ( -14.927 16.703 -15.298) 27.126 12.126 ( 9.596 -8.727 9.059) 15.821 12.401 ( 1.605 -1.748 3.155) 3.948 17.546 ( 4.978 -5.189 -0.999) 7.260 17.623 ( 1.831 -1.721 -6.459) 6.930 18.165 ( 9.510 2.132 4.504) 10.737 18.529 ( 2.800 -0.517 -11.753) 12.093 18.779 ( -0.020 0.167 2.712) 2.717 19.011 ( -2.482 -0.676 -7.440) 7.872 21.149 ( 1.527 -3.261 3.626) 5.111 21.249 ( -1.071 1.030 3.564) 3.861 ======================= Grid point 863 (264/324) ======================= q-point: ( 0.45 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.928 ( 6.246 0.214 11.802) 13.355 5.061 ( -5.933 0.842 6.919) 9.153 5.261 ( 5.976 -2.249 8.484) 10.618 5.398 ( -6.730 -1.531 3.278) 7.641 7.989 ( 1.853 -2.229 8.962) 9.420 7.997 ( 0.757 -1.457 9.455) 9.596 8.181 ( -0.366 11.922 -9.993) 15.560 8.266 ( -8.657 14.683 -14.566) 22.421 12.294 ( 6.654 -6.758 6.866) 11.708 12.391 ( -2.677 -4.198 4.964) 7.031 17.613 ( 1.935 -5.153 -4.123) 6.877 17.635 ( -0.342 -4.117 -5.829) 7.145 18.362 ( 9.099 0.433 3.338) 9.702 18.510 ( -4.756 -0.909 -1.663) 5.120 18.831 ( 4.774 0.554 -3.122) 5.731 18.936 ( -4.789 -0.176 -6.085) 7.746 21.186 ( 1.917 -1.920 3.699) 4.587 21.222 ( -1.560 -0.321 3.704) 4.032 ======================= Grid point 869 (265/324) ======================= q-point: ( 0.00 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.643 ( 0.000 5.613 26.151) 26.746 4.868 ( 0.000 8.434 24.221) 25.647 5.605 ( 0.000 -4.670 -13.585) 14.365 5.781 ( 0.000 0.123 -13.640) 13.641 7.651 ( 0.000 2.763 23.396) 23.558 7.988 ( 0.000 -0.054 5.875) 5.875 9.325 ( 0.000 7.220 -4.629) 8.577 9.525 ( 0.000 6.218 -13.955) 15.278 11.441 ( 0.000 -2.864 19.337) 19.548 11.898 ( 0.000 -5.623 -3.930) 6.860 17.174 ( 0.000 8.217 0.858) 8.261 17.184 ( 0.000 9.630 3.967) 10.415 18.040 ( 0.000 4.117 -4.810) 6.332 18.314 ( 0.000 0.144 -15.064) 15.064 18.912 ( 0.000 0.376 -3.683) 3.703 19.013 ( 0.000 2.758 -8.815) 9.237 21.123 ( 0.000 -1.992 6.329) 6.635 21.245 ( 0.000 -2.381 0.229) 2.392 ======================= Grid point 870 (266/324) ======================= q-point: ( 0.09 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.672 ( 2.690 5.083 26.090) 26.716 4.864 ( -0.208 8.134 23.363) 24.740 5.564 ( -3.744 -4.842 -12.355) 13.788 5.775 ( -0.811 0.318 -13.624) 13.652 7.673 ( 2.004 2.161 22.525) 22.717 7.978 ( -0.940 -0.688 6.486) 6.590 9.128 ( -13.692 5.689 -7.704) 16.709 9.597 ( 1.487 12.525 -11.427) 17.019 11.420 ( -0.250 -7.456 16.070) 17.717 11.998 ( 8.025 -3.964 -0.939) 9.000 17.169 ( 1.919 6.752 4.553) 8.367 17.288 ( 7.326 8.552 -0.403) 11.268 18.029 ( -0.904 3.929 -3.780) 5.526 18.330 ( 1.510 0.088 -15.624) 15.697 18.885 ( -2.198 0.136 -3.565) 4.191 19.026 ( 0.876 2.305 -8.100) 8.467 21.098 ( -1.938 -2.618 5.109) 6.059 21.262 ( 1.201 -1.677 1.469) 2.533 ======================= Grid point 871 (267/324) ======================= q-point: ( 0.18 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.740 ( 3.353 3.832 26.401) 26.887 4.873 ( 1.723 6.946 19.598) 20.864 5.467 ( -5.505 -4.770 -8.976) 11.560 5.736 ( -3.249 0.359 -12.759) 13.171 7.728 ( 3.203 0.557 20.264) 20.523 7.953 ( -1.395 -2.233 7.736) 8.172 8.852 ( -12.553 8.131 -9.301) 17.613 9.519 ( -8.892 20.128 -10.524) 24.392 11.482 ( 6.510 -13.228 12.031) 19.029 12.166 ( 7.607 -3.304 1.872) 8.502 17.243 ( 4.809 2.597 5.632) 7.848 17.451 ( 7.697 5.441 -4.063) 10.264 18.018 ( 0.412 3.676 -1.117) 3.864 18.375 ( 2.888 0.033 -16.285) 16.539 18.837 ( -2.255 -0.240 -1.990) 3.017 19.037 ( 0.079 1.022 -7.429) 7.500 21.062 ( -1.241 -3.212 3.969) 5.255 21.281 ( 0.456 -0.850 2.674) 2.843 ======================= Grid point 872 (268/324) ======================= q-point: ( 0.27 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.789 ( 1.772 2.770 23.541) 23.770 4.955 ( 5.977 4.347 15.540) 17.208 5.345 ( -6.418 -3.957 -3.788) 8.438 5.643 ( -5.723 -0.147 -10.312) 11.794 7.796 ( 3.399 -1.552 17.419) 17.816 7.928 ( -0.875 -3.700 8.669) 9.466 8.638 ( -8.167 12.906 -9.995) 18.253 9.268 ( -14.700 24.697 -10.136) 30.476 11.666 ( 10.745 -15.084 8.940) 20.565 12.286 ( 3.884 -4.563 3.374) 6.877 17.345 ( 4.786 -2.389 4.603) 7.057 17.560 ( 2.422 0.172 -6.996) 7.405 18.073 ( 5.228 3.801 1.455) 6.625 18.446 ( 3.940 -0.130 -15.524) 16.016 18.797 ( -1.551 -0.178 0.475) 1.632 19.027 ( -1.084 -0.556 -7.124) 7.228 21.055 ( 0.607 -3.252 3.501) 4.817 21.278 ( -0.736 -0.535 3.263) 3.387 ======================= Grid point 873 (269/324) ======================= q-point: ( 0.36 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.835 ( 3.109 0.864 17.188) 17.489 5.093 ( 7.194 2.272 12.012) 14.184 5.205 ( -7.268 -2.873 1.728) 8.004 5.513 ( -6.683 -0.511 -5.832) 8.885 7.861 ( 2.852 -3.617 14.869) 15.566 7.921 ( 0.107 -4.643 9.669) 10.727 8.527 ( -2.597 18.209 -10.242) 21.052 8.959 ( -14.809 26.655 -10.454) 32.235 11.894 ( 11.131 -14.303 6.915) 19.398 12.318 ( -0.846 -6.938 4.253) 8.181 17.427 ( 3.199 -6.242 1.689) 7.215 17.562 ( -1.487 -4.215 -6.530) 7.913 18.214 ( 7.834 2.518 1.409) 8.349 18.513 ( 1.607 -1.107 -11.629) 11.791 18.786 ( 0.927 0.523 0.735) 1.293 18.992 ( -2.397 -1.222 -6.861) 7.370 21.086 ( 2.330 -2.875 3.439) 5.052 21.251 ( -1.860 -0.810 3.485) 4.033 ======================= Grid point 874 (270/324) ======================= q-point: ( 0.45 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.923 ( 5.507 -0.990 11.144) 12.470 5.055 ( -7.223 -2.160 6.297) 9.823 5.239 ( 6.963 0.990 6.885) 9.842 5.377 ( -6.664 -0.046 0.482) 6.682 7.908 ( 1.592 -5.195 13.153) 14.231 7.924 ( -0.091 -5.436 11.432) 12.659 8.540 ( 4.055 23.290 -10.888) 26.027 8.693 ( -10.717 26.357 -11.012) 30.509 12.103 ( 9.067 -12.311 5.684) 16.312 12.253 ( -5.425 -9.710 4.908) 12.158 17.480 ( 2.172 -7.664 -1.644) 8.133 17.523 ( -2.099 -6.805 -4.436) 8.390 18.369 ( 7.026 0.199 -0.151) 7.031 18.486 ( -4.018 -1.434 -4.200) 5.986 18.843 ( 4.164 0.538 -3.599) 5.530 18.929 ( -3.823 -0.567 -6.032) 7.164 21.143 ( 3.054 -2.258 3.505) 5.169 21.204 ( -2.743 -1.497 3.536) 4.719 ======================= Grid point 880 (271/324) ======================= q-point: ( 0.00 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.765 ( 0.000 6.338 20.920) 21.859 5.048 ( 0.000 8.900 18.043) 20.118 5.506 ( 0.000 -4.868 -6.556) 8.166 5.774 ( 0.000 -0.887 -9.050) 9.094 7.717 ( 0.000 3.674 20.961) 21.280 7.983 ( 0.000 -0.560 7.010) 7.033 9.485 ( 0.000 8.367 -4.620) 9.557 9.656 ( 0.000 6.483 -12.907) 14.444 11.387 ( 0.000 -2.254 16.717) 16.868 11.769 ( 0.000 -7.089 -2.754) 7.605 17.350 ( 0.000 8.952 -0.319) 8.958 17.386 ( 0.000 9.998 0.035) 9.998 18.135 ( 0.000 5.202 -2.640) 5.833 18.327 ( 0.000 1.112 -10.933) 10.989 18.921 ( 0.000 0.635 -1.634) 1.753 19.056 ( 0.000 1.321 -7.686) 7.799 21.083 ( 0.000 -1.861 5.977) 6.260 21.191 ( 0.000 -2.973 0.635) 3.040 ======================= Grid point 881 (272/324) ======================= q-point: ( 0.09 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.785 ( 1.894 6.027 21.092) 22.018 5.041 ( -0.591 9.059 17.798) 19.979 5.463 ( -3.817 -4.990 -6.513) 9.049 5.767 ( -1.013 -1.253 -9.142) 9.283 7.724 ( 0.683 2.907 20.185) 20.404 7.961 ( -2.031 -1.049 7.673) 8.006 9.281 ( -11.846 9.395 -7.852) 17.037 9.843 ( 9.689 11.102 -10.101) 17.865 11.272 ( -7.460 -6.493 13.018) 16.349 11.892 ( 8.763 -6.684 1.164) 11.083 17.322 ( -0.945 8.108 2.426) 8.515 17.459 ( 4.841 8.023 -3.047) 9.853 18.120 ( -1.256 4.976 -1.992) 5.505 18.338 ( 1.105 0.682 -11.689) 11.761 18.893 ( -2.378 0.732 -1.890) 3.125 19.061 ( 0.096 0.949 -7.003) 7.067 21.052 ( -2.278 -1.848 4.668) 5.513 21.217 ( 1.776 -2.818 1.913) 3.841 ======================= Grid point 882 (273/324) ======================= q-point: ( 0.18 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.832 ( 2.208 5.134 22.368) 23.056 5.030 ( -0.114 8.590 14.743) 17.064 5.369 ( -4.975 -4.970 -4.669) 8.441 5.722 ( -3.535 -1.799 -9.723) 10.501 7.742 ( 1.052 0.928 18.241) 18.295 7.907 ( -2.993 -2.297 9.184) 9.929 9.076 ( -7.855 13.991 -8.638) 18.223 9.941 ( -1.179 21.097 -8.948) 22.946 11.194 ( 1.226 -14.849 10.092) 17.996 12.053 ( 6.344 -8.166 3.389) 10.882 17.315 ( -0.001 4.409 4.367) 6.206 17.544 ( 2.629 3.571 -6.122) 7.559 18.104 ( 0.407 4.768 -0.510) 4.813 18.375 ( 2.559 -0.055 -13.108) 13.355 18.841 ( -2.371 0.782 -1.593) 2.962 19.049 ( -1.290 0.038 -6.284) 6.415 21.013 ( -1.251 -1.612 3.698) 4.224 21.245 ( 0.822 -2.657 2.825) 3.964 ======================= Grid point 883 (274/324) ======================= q-point: ( 0.27 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.854 ( -0.079 3.652 22.610) 22.903 5.057 ( 2.743 5.594 8.412) 10.468 5.269 ( -4.735 -3.470 0.970) 5.950 5.626 ( -5.565 -1.566 -10.386) 11.886 7.764 ( 1.033 -1.595 16.032) 16.144 7.850 ( -2.370 -3.936 10.763) 11.703 8.968 ( -2.658 19.742 -8.497) 21.657 9.803 ( -11.099 28.253 -6.805) 31.108 11.321 ( 10.155 -19.184 6.900) 22.776 12.136 ( 1.619 -10.627 4.130) 11.516 17.314 ( -0.163 -0.670 4.580) 4.632 17.543 ( -2.606 -1.815 -6.983) 7.671 18.155 ( 4.388 4.227 -0.315) 6.101 18.438 ( 3.289 -0.743 -13.689) 14.098 18.803 ( -1.246 0.850 -0.891) 1.752 19.011 ( -2.259 -1.080 -6.045) 6.543 21.007 ( 0.745 -1.433 3.306) 3.680 21.247 ( -0.666 -2.507 3.203) 4.122 ======================= Grid point 884 (275/324) ======================= q-point: ( 0.36 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.851 ( 0.424 0.760 17.531) 17.552 5.087 ( -2.512 -2.957 5.781) 6.963 5.213 ( 1.489 3.663 5.689) 6.929 5.510 ( -5.606 0.031 -8.878) 10.500 7.782 ( 0.722 -4.091 14.388) 14.975 7.815 ( -1.124 -5.596 12.023) 13.309 8.968 ( 2.644 25.267 -7.833) 26.585 9.541 ( -13.621 30.901 -5.797) 34.263 11.561 ( 12.449 -18.954 4.973) 23.215 12.117 ( -3.424 -13.221 4.240) 14.300 17.311 ( 0.075 -5.058 2.976) 5.869 17.463 ( -4.577 -5.483 -5.220) 8.846 18.262 ( 5.614 2.284 -1.807) 6.325 18.485 ( 0.645 -1.639 -11.727) 11.859 18.801 ( 1.263 0.980 -1.524) 2.209 18.963 ( -2.397 -1.644 -6.145) 6.798 21.041 ( 2.461 -1.549 3.225) 4.342 21.218 ( -2.054 -2.366 3.328) 4.571 ======================= Grid point 885 (276/324) ======================= q-point: ( 0.45 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.888 ( 3.383 -2.245 12.559) 13.199 4.984 ( -5.687 -4.206 9.169) 11.581 5.296 ( 5.079 4.072 1.393) 6.657 5.401 ( -5.151 2.186 -4.093) 6.933 7.793 ( 0.380 -5.956 13.472) 14.735 7.800 ( -0.402 -6.490 12.859) 14.410 9.075 ( 7.740 29.408 -6.920) 31.187 9.277 ( -11.812 31.288 -6.055) 33.988 11.805 ( 11.100 -17.484 4.256) 21.143 12.001 ( -7.864 -15.549 4.154) 17.913 17.326 ( 1.525 -7.359 0.344) 7.523 17.377 ( -3.525 -7.381 -2.546) 8.567 18.371 ( 4.949 0.080 -3.951) 6.333 18.456 ( -3.160 -1.452 -7.287) 8.074 18.850 ( 3.119 0.136 -4.239) 5.265 18.912 ( -2.768 -1.114 -5.842) 6.559 21.101 ( 3.234 -1.876 3.273) 4.969 21.166 ( -3.011 -2.177 3.330) 4.990 ======================= Grid point 891 (277/324) ======================= q-point: ( 0.00 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.892 ( 0.000 6.320 15.054) 16.326 5.177 ( 0.000 2.194 6.794) 7.139 5.450 ( 0.000 0.959 5.273) 5.360 5.739 ( 0.000 -2.765 -3.300) 4.305 7.794 ( 0.000 3.881 17.860) 18.277 7.963 ( 0.000 -1.399 8.880) 8.989 9.645 ( 0.000 7.331 -5.098) 8.929 9.766 ( 0.000 4.147 -11.113) 11.861 11.362 ( 0.000 0.048 12.781) 12.781 11.624 ( 0.000 -7.256 -0.523) 7.275 17.515 ( 0.000 7.191 -1.345) 7.316 17.559 ( 0.000 6.808 -2.731) 7.335 18.239 ( 0.000 4.968 -2.165) 5.420 18.352 ( 0.000 1.065 -7.979) 8.049 18.941 ( 0.000 1.407 0.114) 1.411 19.062 ( 0.000 -0.793 -4.984) 5.047 21.054 ( 0.000 -0.862 5.194) 5.265 21.131 ( 0.000 -2.908 1.440) 3.245 ======================= Grid point 892 (278/324) ======================= q-point: ( 0.09 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.907 ( 1.413 6.134 15.264) 16.511 5.184 ( 0.674 3.033 7.293) 7.927 5.399 ( -4.743 0.557 4.276) 6.410 5.721 ( -1.854 -3.380 -3.607) 5.279 7.785 ( -0.763 3.147 17.349) 17.648 7.935 ( -2.669 -1.567 9.416) 9.911 9.494 ( -7.207 11.679 -7.441) 15.611 9.991 ( 14.273 2.592 -8.646) 16.888 11.204 ( -11.647 0.748 9.683) 15.165 11.730 ( 6.702 -9.479 2.793) 11.940 17.478 ( -2.695 7.110 0.284) 7.609 17.590 ( 1.500 4.662 -4.268) 6.496 18.220 ( -1.524 4.835 -1.884) 5.408 18.352 ( 0.172 0.437 -8.542) 8.555 18.917 ( -2.000 1.814 -0.461) 2.739 19.060 ( -0.439 -1.066 -4.791) 4.927 21.030 ( -1.710 -0.235 4.195) 4.536 21.154 ( 1.564 -3.329 2.344) 4.362 ======================= Grid point 893 (279/324) ======================= q-point: ( 0.18 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.938 ( 1.179 5.459 16.920) 17.818 5.200 ( 0.714 6.497 8.314) 10.576 5.278 ( -6.283 -2.400 1.771) 6.955 5.662 ( -3.874 -4.246 -5.541) 7.984 7.764 ( -1.269 1.244 16.116) 16.214 7.863 ( -4.129 -2.084 10.778) 11.728 9.399 ( -2.054 18.011 -7.181) 19.498 10.275 ( 12.055 7.687 -8.624) 16.697 10.968 ( -9.960 -3.356 9.246) 13.998 11.836 ( 3.348 -13.496 3.953) 14.456 17.410 ( -3.973 4.923 2.222) 6.705 17.586 ( -2.366 0.562 -5.619) 6.122 18.201 ( 0.250 4.740 -1.662) 5.029 18.369 ( 1.662 -0.711 -9.904) 10.068 18.872 ( -2.264 2.240 -1.373) 3.469 19.035 ( -2.030 -1.512 -4.909) 5.523 21.002 ( -0.796 0.618 3.468) 3.612 21.179 ( 0.783 -3.763 2.876) 4.800 ======================= Grid point 894 (280/324) ======================= q-point: ( 0.27 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.931 ( -2.207 4.006 19.893) 20.412 5.139 ( -5.690 0.104 3.633) 6.752 5.242 ( 2.092 3.173 4.496) 5.887 5.576 ( -4.088 -3.505 -9.186) 10.648 7.736 ( -1.492 -1.178 14.834) 14.956 7.778 ( -3.895 -3.051 12.410) 13.360 9.409 ( 2.858 23.858 -5.953) 24.755 10.370 ( -4.838 27.220 -5.456) 28.180 10.912 ( 6.515 -20.892 6.286) 22.769 11.859 ( -1.178 -17.042 3.924) 17.527 17.319 ( -4.676 1.205 3.209) 5.797 17.492 ( -6.385 -3.165 -5.014) 8.714 18.237 ( 2.977 3.956 -2.778) 5.677 18.414 ( 2.430 -1.676 -11.249) 11.630 18.833 ( -1.326 2.120 -2.298) 3.396 18.983 ( -2.873 -1.842 -5.282) 6.289 21.001 ( 0.665 0.832 3.132) 3.308 21.183 ( -0.443 -3.717 3.079) 4.847 ======================= Grid point 895 (281/324) ======================= q-point: ( 0.36 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.870 ( -2.844 1.243 17.783) 18.052 5.019 ( -6.073 -3.428 8.993) 11.380 5.305 ( 3.698 5.007 0.048) 6.225 5.505 ( -2.923 -0.719 -10.658) 11.075 7.705 ( -1.431 -3.430 14.042) 14.525 7.713 ( -2.427 -4.275 13.664) 14.521 9.510 ( 6.948 28.381 -4.221) 29.522 10.168 ( -12.322 31.284 -1.409) 33.652 11.141 ( 13.350 -22.869 2.417) 26.591 11.789 ( -5.647 -19.572 3.363) 20.646 17.235 ( -3.248 -2.427 2.867) 4.966 17.353 ( -6.632 -5.276 -3.018) 8.996 18.307 ( 3.555 2.279 -4.923) 6.486 18.448 ( 0.445 -2.084 -11.499) 11.695 18.824 ( 0.535 1.371 -3.364) 3.671 18.928 ( -2.358 -1.883 -5.558) 6.325 21.027 ( 1.851 0.228 3.044) 3.570 21.162 ( -1.575 -3.152 3.150) 4.726 ======================= Grid point 896 (282/324) ======================= q-point: ( 0.45 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.845 ( 0.812 -1.749 14.778) 14.903 4.904 ( -4.704 -3.595 12.449) 13.785 5.382 ( 3.640 4.127 -4.410) 7.052 5.448 ( -2.907 2.151 -8.320) 9.072 7.680 ( -0.637 -5.063 14.008) 14.909 7.683 ( -0.761 -4.882 13.992) 14.839 9.685 ( 10.100 31.065 -2.461) 32.759 9.914 ( -12.139 31.840 -1.234) 34.098 11.408 ( 12.368 -22.046 2.054) 25.361 11.633 ( -9.510 -21.123 2.620) 23.313 17.200 ( 0.081 -4.910 1.438) 5.117 17.242 ( -3.942 -5.869 -0.669) 7.102 18.376 ( 3.107 0.410 -7.473) 8.104 18.430 ( -2.022 -1.228 -9.941) 10.218 18.850 ( 1.706 -0.088 -4.668) 4.971 18.886 ( -1.830 -1.350 -5.459) 5.914 21.072 ( 2.421 -0.912 3.084) 4.025 21.121 ( -2.303 -2.152 3.141) 4.450 ======================= Grid point 902 (283/324) ======================= q-point: ( 0.00 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.016 ( 0.000 6.108 9.065) 10.931 5.131 ( 0.000 -5.030 3.861) 6.341 5.542 ( 0.000 6.390 8.350) 10.514 5.661 ( 0.000 -5.075 2.934) 5.862 7.867 ( 0.000 3.372 14.544) 14.929 7.925 ( 0.000 -2.426 11.448) 11.702 9.764 ( 0.000 4.329 -6.446) 7.765 9.809 ( 0.000 -0.033 -8.688) 8.688 11.395 ( 0.000 3.265 7.851) 8.503 11.489 ( 0.000 -5.959 3.073) 6.705 17.625 ( 0.000 3.471 -2.358) 4.197 17.645 ( 0.000 1.609 -3.220) 3.600 18.323 ( 0.000 3.107 -3.675) 4.812 18.359 ( 0.000 -0.582 -5.787) 5.817 18.979 ( 0.000 2.378 0.223) 2.388 19.029 ( 0.000 -2.309 -1.836) 2.950 21.052 ( 0.000 0.651 4.011) 4.064 21.080 ( 0.000 -2.080 2.647) 3.367 ======================= Grid point 903 (284/324) ======================= q-point: ( 0.09 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.029 ( 1.079 5.974 9.297) 11.104 5.142 ( 0.919 -5.034 3.988) 6.488 5.499 ( -4.039 7.065 7.680) 11.190 5.630 ( -2.920 -5.727 2.334) 6.839 7.846 ( -1.970 2.853 14.408) 14.819 7.897 ( -2.653 -2.232 11.694) 12.197 9.733 ( 0.049 11.717 -6.924) 13.609 9.935 ( 9.000 -7.526 -7.135) 13.731 11.310 ( -6.608 9.001 6.304) 12.823 11.520 ( 1.330 -11.136 4.218) 11.982 17.593 ( -2.897 4.207 -1.710) 5.386 17.637 ( -1.415 0.021 -3.494) 3.770 18.303 ( -1.457 3.275 -3.626) 5.099 18.347 ( -0.843 -1.091 -6.011) 6.167 18.965 ( -1.358 2.808 -0.463) 3.153 19.021 ( -0.843 -2.612 -2.213) 3.526 21.044 ( -0.549 1.582 3.585) 3.957 21.090 ( 0.694 -2.913 2.913) 4.178 ======================= Grid point 904 (285/324) ======================= q-point: ( 0.18 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.047 ( 0.218 5.403 11.152) 12.394 5.153 ( -0.529 -5.135 5.611) 7.624 5.401 ( -4.554 8.352 4.626) 10.578 5.553 ( -4.210 -6.645 -0.583) 7.888 7.792 ( -3.224 1.502 14.135) 14.576 7.824 ( -4.271 -1.779 12.388) 13.224 9.779 ( 4.363 19.548 -5.570) 20.789 10.149 ( 11.676 -15.954 -5.340) 20.479 11.153 ( -8.520 17.447 5.104) 20.076 11.520 ( -1.445 -17.816 4.049) 18.328 17.503 ( -5.995 4.144 -0.436) 7.301 17.568 ( -5.476 -2.235 -3.281) 6.764 18.286 ( 0.163 3.597 -4.051) 5.420 18.342 ( 0.660 -2.028 -6.883) 7.206 18.928 ( -2.166 3.188 -1.975) 4.331 18.990 ( -2.194 -2.865 -3.335) 4.914 21.036 ( -0.151 2.640 3.206) 4.156 21.102 ( 0.426 -3.785 2.985) 4.839 ======================= Grid point 905 (286/324) ======================= q-point: ( 0.27 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.012 ( -4.074 3.963 15.462) 16.474 5.088 ( -5.727 -3.588 9.939) 12.019 5.360 ( 0.729 6.716 -1.736) 6.975 5.485 ( -1.890 -5.574 -6.278) 8.605 7.721 ( -3.525 -0.155 13.997) 14.435 7.733 ( -4.422 -1.422 13.363) 14.147 9.903 ( 7.611 25.248 -3.285) 26.574 10.398 ( 12.346 -23.245 -2.217) 26.413 10.970 ( -9.182 25.401 2.980) 27.174 11.460 ( -4.438 -22.656 3.076) 23.290 17.360 ( -7.549 2.743 0.835) 8.075 17.424 ( -8.149 -3.488 -2.111) 9.112 18.311 ( 1.989 3.388 -5.539) 6.791 18.371 ( 1.852 -2.624 -8.433) 9.023 18.883 ( -1.956 2.776 -3.578) 4.933 18.938 ( -2.686 -2.566 -4.559) 5.881 21.038 ( 0.352 2.771 3.008) 4.105 21.106 ( -0.071 -3.819 2.991) 4.852 ======================= Grid point 906 (287/324) ======================= q-point: ( 0.36 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.903 ( -5.420 2.156 16.454) 17.457 4.955 ( -6.557 -2.954 13.259) 15.084 5.401 ( 2.626 4.403 -5.915) 7.828 5.473 ( 0.171 -2.642 -9.766) 10.119 7.653 ( -3.159 -1.436 14.220) 14.637 7.655 ( -2.884 -1.493 14.227) 14.593 10.081 ( 9.653 28.351 -0.459) 29.953 10.610 ( 4.763 -18.893 7.100) 20.737 10.815 ( -2.454 21.833 -5.432) 22.632 11.340 ( -7.259 -25.089 1.486) 26.160 17.218 ( -5.860 0.752 1.578) 6.115 17.262 ( -7.096 -3.567 -0.546) 7.961 18.354 ( 2.003 2.433 -7.855) 8.464 18.403 ( 0.960 -2.395 -10.217) 10.538 18.855 ( -0.783 1.657 -4.529) 4.885 18.890 ( -1.885 -1.857 -5.131) 5.773 21.049 ( 0.722 1.892 2.965) 3.590 21.099 ( -0.551 -2.968 3.010) 4.263 ======================= Grid point 907 (288/324) ======================= q-point: ( 0.45 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.827 ( -1.592 -0.005 15.862) 15.941 4.847 ( -3.493 -2.013 14.996) 15.528 5.450 ( 1.897 2.444 -8.752) 9.282 5.473 ( -0.424 0.119 -10.196) 10.206 7.609 ( -1.045 -1.814 14.695) 14.844 7.612 ( -1.220 -1.999 14.567) 14.754 10.289 ( 10.536 28.349 2.637) 30.358 10.501 ( -9.879 22.550 6.307) 25.414 10.956 ( 10.691 -19.057 -4.200) 22.251 11.167 ( -9.618 -24.742 -0.758) 26.556 17.138 ( -1.707 -1.203 1.572) 2.614 17.154 ( -3.233 -2.733 0.806) 4.309 18.388 ( 1.323 0.823 -10.137) 10.256 18.407 ( -0.465 -1.045 -11.095) 11.154 18.850 ( 0.260 0.248 -4.829) 4.842 18.862 ( -0.904 -0.948 -5.048) 5.215 21.066 ( 0.901 0.324 2.992) 3.141 21.084 ( -0.850 -1.458 3.016) 3.456 ======================= Grid point 968 (289/324) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.011 ( 0.000 0.000 -9.492) 9.492 5.011 ( 0.000 0.000 9.492) 9.492 5.442 ( 0.000 0.000 -6.702) 6.702 5.442 ( 0.000 0.000 6.702) 6.702 7.944 ( 0.000 0.000 -9.751) 9.751 7.944 ( 0.000 0.000 9.751) 9.751 9.177 ( 0.000 0.000 -5.799) 5.799 9.177 ( 0.000 0.000 5.799) 5.799 11.849 ( 0.000 0.000 -12.745) 12.745 11.849 ( 0.000 0.000 12.745) 12.745 17.036 ( 0.000 0.000 -0.993) 0.993 17.036 ( 0.000 0.000 0.993) 0.993 17.986 ( 0.000 0.000 -11.075) 11.075 17.986 ( 0.000 0.000 11.075) 11.075 18.850 ( 0.000 0.000 -0.627) 0.627 18.850 ( 0.000 0.000 0.627) 0.627 21.265 ( 0.000 0.000 -3.199) 3.199 21.265 ( 0.000 0.000 3.199) 3.199 ======================= Grid point 970 (290/324) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.031 ( 1.792 0.000 -6.786) 7.018 5.031 ( 1.792 0.000 6.786) 7.018 5.426 ( -1.432 0.000 -3.998) 4.247 5.426 ( -1.432 0.000 3.998) 4.247 7.962 ( 1.730 0.000 -9.016) 9.181 7.962 ( 1.730 0.000 9.016) 9.181 9.061 ( -10.898 0.000 -5.136) 12.047 9.061 ( -10.898 0.000 5.136) 12.047 11.912 ( 5.817 0.000 -11.584) 12.962 11.912 ( 5.817 0.000 11.584) 12.962 17.107 ( 6.698 0.000 -0.669) 6.731 17.107 ( 6.698 0.000 0.669) 6.731 17.999 ( 1.346 0.000 -11.526) 11.604 17.999 ( 1.346 0.000 11.526) 11.604 18.856 ( 0.595 0.000 -1.451) 1.568 18.856 ( 0.595 0.000 1.451) 1.568 21.261 ( -0.382 0.000 -2.703) 2.730 21.261 ( -0.382 0.000 2.703) 2.730 ======================= Grid point 972 (291/324) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.074 ( 2.038 0.000 -0.850) 2.208 5.074 ( 2.038 0.000 0.850) 2.208 5.394 ( -1.355 0.000 -2.328) 2.694 5.394 ( -1.355 0.000 2.328) 2.694 8.010 ( 2.780 0.000 -7.009) 7.540 8.010 ( 2.780 0.000 7.009) 7.540 8.766 ( -17.119 0.000 -4.945) 17.819 8.766 ( -17.119 0.000 4.945) 17.819 12.064 ( 8.493 0.000 -9.131) 12.470 12.064 ( 8.493 0.000 9.131) 12.470 17.283 ( 9.657 0.000 -0.214) 9.660 17.283 ( 9.657 0.000 0.214) 9.660 18.045 ( 3.417 0.000 -12.481) 12.941 18.045 ( 3.417 0.000 12.481) 12.941 18.873 ( 0.965 0.000 -3.729) 3.852 18.873 ( 0.965 0.000 3.729) 3.852 21.252 ( -0.466 0.000 -1.603) 1.669 21.252 ( -0.466 0.000 1.603) 1.669 ======================= Grid point 974 (292/324) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.101 ( 0.495 0.000 -9.330) 9.343 5.101 ( 0.495 0.000 9.330) 9.343 5.383 ( 0.377 0.000 -10.458) 10.464 5.383 ( 0.377 0.000 10.458) 10.464 8.066 ( 2.247 0.000 -3.822) 4.433 8.066 ( 2.247 0.000 3.822) 4.433 8.405 ( -17.062 0.000 -5.665) 17.978 8.405 ( -17.062 0.000 5.665) 17.978 12.237 ( 8.093 0.000 -6.475) 10.364 12.237 ( 8.093 0.000 6.475) 10.364 17.464 ( 7.395 0.000 -0.019) 7.395 17.464 ( 7.395 0.000 0.019) 7.395 18.147 ( 6.694 0.000 -12.537) 14.212 18.147 ( 6.694 0.000 12.537) 14.212 18.889 ( 0.396 0.000 -5.772) 5.786 18.889 ( 0.396 0.000 5.772) 5.786 21.245 ( -0.127 0.000 -0.587) 0.601 21.245 ( -0.127 0.000 0.587) 0.601 ======================= Grid point 976 (293/324) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.098 ( -0.505 0.000 -9.295) 9.309 5.098 ( -0.505 0.000 9.295) 9.309 5.403 ( 1.293 0.000 -9.998) 10.081 5.403 ( 1.293 0.000 9.998) 10.081 8.020 ( -9.445 0.000 -0.218) 9.447 8.020 ( -9.445 0.000 0.218) 9.447 8.179 ( -1.660 0.000 -5.940) 6.168 8.179 ( -1.660 0.000 5.940) 6.168 12.380 ( 5.654 0.000 -3.861) 6.847 12.380 ( 5.654 0.000 3.861) 6.847 17.572 ( 3.294 0.000 -0.209) 3.300 17.572 ( 3.294 0.000 0.209) 3.300 18.309 ( 8.496 0.000 -10.219) 13.290 18.309 ( 8.496 0.000 10.219) 13.290 18.880 ( -1.386 0.000 -6.178) 6.331 18.880 ( -1.386 0.000 6.178) 6.331 21.247 ( 0.293 0.000 -0.092) 0.307 21.247 ( 0.293 0.000 0.092) 0.307 ======================= Grid point 978 (294/324) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.089 ( -0.277 0.000 -3.501) 3.511 5.089 ( -0.277 0.000 3.501) 3.511 5.425 ( 0.605 0.000 -3.742) 3.790 5.425 ( 0.605 0.000 3.742) 3.790 7.852 ( -4.768 0.000 -0.384) 4.783 7.852 ( -4.768 0.000 0.384) 4.783 8.188 ( 0.631 0.000 -1.459) 1.589 8.188 ( 0.631 0.000 1.459) 1.589 12.460 ( 2.020 0.000 -1.283) 2.393 12.460 ( 2.020 0.000 1.283) 2.393 17.611 ( 0.805 0.000 -0.236) 0.839 17.611 ( 0.805 0.000 0.236) 0.839 18.456 ( 4.720 0.000 -4.761) 6.704 18.456 ( 4.720 0.000 4.761) 6.704 18.841 ( -1.813 0.000 -3.463) 3.909 18.841 ( -1.813 0.000 3.463) 3.909 21.253 ( 0.220 0.000 -0.003) 0.220 21.253 ( 0.220 0.000 0.003) 0.220 ======================= Grid point 990 (295/324) ======================= q-point: ( 0.00 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.031 ( 0.000 1.829 -10.570) 10.727 5.031 ( 0.000 1.829 10.570) 10.727 5.454 ( 0.000 1.170 -8.155) 8.239 5.454 ( 0.000 1.170 8.155) 8.239 7.950 ( 0.000 0.598 -9.405) 9.424 7.950 ( 0.000 0.598 9.405) 9.424 9.219 ( 0.000 4.043 -5.310) 6.674 9.219 ( 0.000 4.043 5.310) 6.674 11.822 ( 0.000 -2.662 -12.323) 12.607 11.822 ( 0.000 -2.662 12.323) 12.607 17.081 ( 0.000 4.410 -1.048) 4.533 17.081 ( 0.000 4.410 1.048) 4.533 18.011 ( 0.000 2.433 -10.190) 10.477 18.011 ( 0.000 2.433 10.190) 10.477 18.864 ( 0.000 1.303 -1.149) 1.737 18.864 ( 0.000 1.303 1.149) 1.737 21.252 ( 0.000 -1.268 -3.134) 3.381 21.252 ( 0.000 -1.268 3.134) 3.381 ======================= Grid point 992 (296/324) ======================= q-point: ( 0.09 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.040 ( 1.217 1.415 0.000) 1.866 5.059 ( 2.140 2.027 -0.000) 2.947 5.391 ( -3.600 -1.114 0.000) 3.769 5.479 ( 0.244 2.964 -0.000) 2.974 7.960 ( 1.203 0.026 0.000) 1.203 7.969 ( 1.509 0.433 -0.000) 1.570 8.999 ( -14.329 -0.174 0.000) 14.331 9.231 ( -5.135 10.840 0.000) 11.994 11.781 ( 1.495 -8.064 0.000) 8.201 11.977 ( 9.203 1.535 -0.000) 9.330 17.130 ( 5.340 3.017 0.000) 6.133 17.161 ( 6.727 4.451 0.000) 8.066 18.012 ( 0.633 1.797 -0.000) 1.905 18.031 ( 1.635 2.626 0.000) 3.094 18.844 ( -0.611 -0.013 -0.000) 0.611 18.891 ( 1.330 2.143 0.000) 2.522 21.212 ( -1.958 -2.882 0.000) 3.484 21.284 ( 1.192 0.345 0.000) 1.241 ======================= Grid point 994 (297/324) ======================= q-point: ( 0.18 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.068 ( 1.112 0.784 0.000) 1.361 5.110 ( 2.580 2.195 0.000) 3.387 5.324 ( -2.385 -3.160 -0.000) 3.959 5.468 ( -1.245 3.488 0.000) 3.703 7.997 ( 2.364 -0.965 0.000) 2.553 8.005 ( 1.683 -0.710 -0.000) 1.827 8.675 ( -16.517 -0.042 0.000) 16.518 9.026 ( -14.191 16.632 0.000) 21.863 11.873 ( 7.021 -11.536 0.000) 13.504 12.170 ( 9.186 3.063 0.000) 9.684 17.276 ( 8.174 0.677 0.000) 8.202 17.328 ( 8.800 3.062 0.000) 9.317 18.043 ( 2.757 0.890 -0.000) 2.898 18.082 ( 3.504 2.491 0.000) 4.299 18.841 ( 0.316 -1.226 -0.000) 1.266 18.914 ( 0.864 2.111 0.000) 2.281 21.178 ( -1.219 -3.952 0.000) 4.136 21.300 ( 0.326 1.460 0.000) 1.496 ======================= Grid point 996 (298/324) ======================= q-point: ( 0.27 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.069 ( -0.922 -0.825 0.000) 1.238 5.152 ( 1.283 2.756 0.000) 3.040 5.312 ( 1.176 -3.475 -0.000) 3.668 5.437 ( -1.518 1.883 0.000) 2.419 8.022 ( -0.587 -2.404 0.000) 2.475 8.052 ( 2.879 -2.015 -0.000) 3.515 8.372 ( -11.938 3.817 0.000) 12.533 8.691 ( -17.698 19.793 -0.000) 26.551 12.042 ( 9.038 -12.053 0.000) 15.065 12.334 ( 6.606 2.215 0.000) 6.968 17.432 ( 6.524 -1.749 0.000) 6.754 17.482 ( 5.672 0.397 0.000) 5.686 18.137 ( 6.553 0.277 0.000) 6.558 18.180 ( 6.171 1.934 0.000) 6.467 18.852 ( 0.541 -1.841 -0.000) 1.919 18.921 ( -0.344 1.311 0.000) 1.355 21.167 ( 0.201 -4.104 0.000) 4.109 21.298 ( -0.398 1.724 0.000) 1.770 ======================= Grid point 998 (299/324) ======================= q-point: ( 0.36 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.051 ( -0.388 -2.082 0.000) 2.118 5.153 ( -1.288 2.821 -0.000) 3.101 5.352 ( 2.185 -2.849 -0.000) 3.590 5.414 ( -0.660 -0.899 0.000) 1.115 7.968 ( -3.705 1.794 0.000) 4.116 8.109 ( 2.568 -2.975 0.000) 3.930 8.225 ( -3.038 4.155 0.000) 5.147 8.341 ( -15.827 20.601 -0.000) 25.978 12.222 ( 8.241 -10.433 0.000) 13.295 12.430 ( 2.671 -0.354 0.000) 2.695 17.530 ( 3.082 -3.355 0.000) 4.556 17.556 ( 1.866 -2.262 0.000) 2.932 18.296 ( 8.271 -0.409 -0.000) 8.281 18.324 ( 7.385 0.614 0.000) 7.410 18.853 ( -0.524 -1.515 -0.000) 1.603 18.896 ( -2.073 0.478 0.000) 2.128 21.186 ( 1.532 -3.349 0.000) 3.683 21.285 ( -0.950 1.026 0.000) 1.398 ======================= Grid point 1000 (300/324) ======================= q-point: ( 0.45 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.063 ( 1.588 -1.453 0.000) 2.153 5.109 ( -2.601 0.784 -0.000) 2.717 5.389 ( 1.309 -2.513 -0.000) 2.833 5.405 ( -0.419 -2.214 0.000) 2.253 7.940 ( 2.061 10.146 0.000) 10.353 8.063 ( -9.601 13.809 0.000) 16.819 8.163 ( 1.421 1.608 0.000) 2.146 8.191 ( -1.171 1.085 0.000) 1.596 12.366 ( 5.550 -7.481 0.000) 9.315 12.441 ( -1.665 -3.867 0.000) 4.211 17.567 ( 0.904 -3.998 0.000) 4.099 17.574 ( 0.191 -3.715 0.000) 3.719 18.437 ( 4.582 -1.476 -0.000) 4.813 18.447 ( 3.641 -1.135 0.000) 3.814 18.835 ( -0.792 -0.303 -0.000) 0.848 18.847 ( -2.102 0.327 0.000) 2.127 21.223 ( 1.947 -1.991 0.000) 2.785 21.259 ( -1.532 -0.383 0.000) 1.579 ======================= Grid point 1012 (301/324) ======================= q-point: ( 0.00 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.075 ( 0.000 2.308 -12.569) 12.779 5.075 ( 0.000 2.308 12.569) 12.779 5.490 ( 0.000 2.465 -11.082) 11.353 5.490 ( 0.000 2.465 11.082) 11.353 7.967 ( 0.000 1.061 -8.341) 8.408 7.967 ( 0.000 1.061 8.341) 8.408 9.331 ( 0.000 6.903 -4.215) 8.088 9.331 ( 0.000 6.903 4.215) 8.088 11.748 ( 0.000 -4.529 -11.008) 11.903 11.748 ( 0.000 -4.529 11.008) 11.903 17.203 ( 0.000 7.476 -1.218) 7.575 17.203 ( 0.000 7.476 1.218) 7.575 18.077 ( 0.000 4.056 -7.933) 8.910 18.077 ( 0.000 4.056 7.933) 8.910 18.899 ( 0.000 2.100 -2.458) 3.233 18.899 ( 0.000 2.100 2.458) 3.233 21.217 ( 0.000 -2.167 -2.938) 3.650 21.217 ( 0.000 -2.167 2.938) 3.650 ======================= Grid point 1014 (302/324) ======================= q-point: ( 0.09 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.081 ( 1.020 2.369 0.000) 2.579 5.103 ( 2.049 2.109 -0.000) 2.940 5.387 ( -5.808 0.884 -0.000) 5.875 5.542 ( 1.007 3.184 0.000) 3.339 7.964 ( 0.195 0.398 0.000) 0.443 7.979 ( 0.611 0.542 -0.000) 0.817 9.051 ( -14.949 5.225 0.000) 15.836 9.479 ( 2.264 13.440 0.000) 13.630 11.598 ( -3.815 -9.844 0.000) 10.557 11.973 ( 11.263 -1.923 0.000) 11.426 17.221 ( 3.015 5.842 0.000) 6.574 17.276 ( 5.449 6.807 0.000) 8.719 18.067 ( -0.219 3.527 -0.000) 3.534 18.098 ( 1.356 3.827 0.000) 4.060 18.855 ( -1.914 1.112 -0.000) 2.214 18.937 ( 1.441 2.363 0.000) 2.767 21.152 ( -3.016 -2.966 0.000) 4.230 21.274 ( 2.301 -1.316 0.000) 2.651 ======================= Grid point 1016 (303/324) ======================= q-point: ( 0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.105 ( 0.635 2.687 0.000) 2.761 5.153 ( 2.735 1.968 0.000) 3.369 5.274 ( -4.334 -1.628 -0.000) 4.630 5.529 ( -2.208 2.595 0.000) 3.407 7.975 ( 0.918 -1.099 0.000) 1.432 7.987 ( 0.052 -0.932 -0.000) 0.933 8.758 ( -13.103 8.096 0.000) 15.403 9.411 ( -8.584 21.333 0.000) 22.995 11.608 ( 4.531 -14.811 0.000) 15.488 12.183 ( 8.831 -1.930 0.000) 9.039 17.308 ( 4.904 2.448 0.000) 5.481 17.399 ( 5.700 3.783 0.000) 6.841 18.080 ( 1.905 2.620 -0.000) 3.239 18.139 ( 2.862 3.042 0.000) 4.177 18.826 ( -0.830 -0.169 -0.000) 0.848 18.953 ( 0.083 1.706 0.000) 1.708 21.103 ( -1.644 -3.404 0.000) 3.780 21.307 ( 0.903 -0.703 0.000) 1.144 ======================= Grid point 1018 (304/324) ======================= q-point: ( 0.27 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.072 ( -3.281 1.133 0.000) 3.471 5.205 ( 1.998 2.348 0.000) 3.083 5.253 ( 1.793 -2.353 -0.000) 2.958 5.457 ( -4.564 0.188 0.000) 4.568 7.983 ( -0.268 -1.789 0.000) 1.809 7.999 ( 1.380 -2.965 -0.000) 3.270 8.540 ( -7.989 12.975 0.000) 15.237 9.163 ( -14.732 26.689 0.000) 30.485 11.758 ( 9.442 -16.345 0.000) 18.876 12.321 ( 4.495 -3.746 0.000) 5.852 17.398 ( 3.539 -1.557 0.000) 3.866 17.479 ( 1.946 -0.660 0.000) 2.055 18.158 ( 5.713 1.678 -0.000) 5.955 18.219 ( 4.942 1.818 0.000) 5.266 18.820 ( 0.068 -1.236 -0.000) 1.238 18.940 ( -1.405 0.533 0.000) 1.502 21.090 ( 0.497 -3.363 0.000) 3.399 21.311 ( -0.555 -0.529 0.000) 0.767 ======================= Grid point 1020 (305/324) ======================= q-point: ( 0.36 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.019 ( -1.233 -0.967 0.000) 1.567 5.209 ( -2.503 2.667 -0.000) 3.657 5.303 ( 2.521 -1.868 0.000) 3.138 5.374 ( -2.457 -2.784 0.000) 3.713 7.989 ( 1.125 -1.257 0.000) 1.687 8.028 ( 1.291 -4.689 0.000) 4.863 8.432 ( -2.675 17.557 0.000) 17.759 8.850 ( -15.102 29.285 0.000) 32.950 11.965 ( 10.333 -15.280 0.000) 18.446 12.362 ( -0.478 -6.634 0.000) 6.651 17.447 ( 1.312 -4.701 0.000) 4.881 17.488 ( -0.583 -4.260 0.000) 4.299 18.291 ( 6.636 -0.124 -0.000) 6.637 18.329 ( 5.376 -0.147 0.000) 5.378 18.823 ( 0.157 -1.404 -0.000) 1.413 18.899 ( -2.418 -0.178 0.000) 2.424 21.121 ( 2.350 -2.978 0.000) 3.793 21.286 ( -1.807 -0.873 0.000) 2.006 ======================= Grid point 1022 (306/324) ======================= q-point: ( 0.45 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.033 ( 2.582 -1.470 0.000) 2.971 5.117 ( -5.196 -0.124 -0.000) 5.198 5.343 ( 1.303 -1.775 0.000) 2.202 5.357 ( -0.203 -2.153 0.000) 2.162 8.024 ( 1.874 -2.982 0.000) 3.522 8.044 ( 0.072 -5.301 0.000) 5.302 8.435 ( 3.312 23.734 0.000) 23.964 8.579 ( -10.716 28.875 0.000) 30.800 12.162 ( 8.590 -12.922 0.000) 15.517 12.304 ( -5.094 -9.888 0.000) 11.123 17.462 ( 0.439 -6.249 -0.000) 6.264 17.473 ( -0.715 -6.112 0.000) 6.154 18.400 ( 3.382 -2.223 -0.000) 4.047 18.412 ( 2.144 -2.256 0.000) 3.112 18.827 ( 0.440 -0.475 -0.000) 0.647 18.851 ( -1.972 -0.020 0.000) 1.972 21.178 ( 3.083 -2.370 0.000) 3.889 21.239 ( -2.741 -1.594 0.000) 3.171 ======================= Grid point 1034 (307/324) ======================= q-point: ( 0.00 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.114 ( 0.000 1.464 -12.358) 12.444 5.114 ( 0.000 1.464 12.358) 12.444 5.550 ( 0.000 3.383 -11.826) 12.300 5.550 ( 0.000 3.383 11.826) 12.300 7.990 ( 0.000 1.224 -6.556) 6.669 7.990 ( 0.000 1.224 6.556) 6.669 9.480 ( 0.000 7.680 -3.014) 8.250 9.480 ( 0.000 7.680 3.014) 8.250 11.650 ( 0.000 -5.044 -8.753) 10.102 11.650 ( 0.000 -5.044 8.753) 10.102 17.364 ( 0.000 8.246 -1.384) 8.361 17.364 ( 0.000 8.246 1.384) 8.361 18.164 ( 0.000 4.368 -5.202) 6.792 18.164 ( 0.000 4.368 5.202) 6.792 18.942 ( 0.000 2.126 -3.510) 4.104 18.942 ( 0.000 2.126 3.510) 4.104 21.170 ( 0.000 -2.411 -2.531) 3.496 21.170 ( 0.000 -2.411 2.531) 3.496 ======================= Grid point 1036 (308/324) ======================= q-point: ( 0.09 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.122 ( 1.125 1.547 0.000) 1.913 5.137 ( 1.796 1.240 -0.000) 2.183 5.430 ( -7.082 3.378 0.000) 7.846 5.602 ( 0.525 2.637 0.000) 2.688 7.975 ( -0.943 0.677 0.000) 1.161 7.991 ( -0.532 0.584 -0.000) 0.790 9.200 ( -12.646 9.409 0.000) 15.762 9.740 ( 10.221 11.729 0.000) 15.558 11.409 ( -9.791 -8.327 0.000) 12.853 11.900 ( 11.171 -5.406 0.000) 12.411 17.352 ( 0.412 6.926 0.000) 6.938 17.418 ( 3.205 6.978 0.000) 7.679 18.145 ( -0.941 4.074 -0.000) 4.181 18.176 ( 0.607 3.817 0.000) 3.865 18.886 ( -2.813 1.875 -0.000) 3.381 18.980 ( 0.972 1.739 0.000) 1.992 21.100 ( -3.167 -2.097 0.000) 3.798 21.234 ( 2.639 -2.585 0.000) 3.694 ======================= Grid point 1038 (309/324) ======================= q-point: ( 0.18 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.157 ( 2.101 1.823 0.000) 2.781 5.184 ( 2.698 1.050 -0.000) 2.895 5.275 ( -7.695 2.190 -0.000) 8.001 5.568 ( -3.873 1.138 0.000) 4.036 7.955 ( -0.900 -0.851 0.000) 1.238 7.970 ( -1.392 -0.782 -0.000) 1.597 8.987 ( -7.963 14.512 0.000) 16.553 9.850 ( -0.323 21.519 0.000) 21.521 11.297 ( -0.316 -15.521 0.000) 15.524 12.089 ( 7.034 -7.577 0.000) 10.339 17.369 ( 0.807 3.461 0.000) 3.554 17.471 ( 1.312 3.229 0.000) 3.485 18.142 ( 1.103 3.386 -0.000) 3.561 18.198 ( 1.737 2.724 0.000) 3.231 18.835 ( -2.014 1.048 -0.000) 2.270 18.979 ( -1.050 0.737 0.000) 1.283 21.050 ( -1.572 -1.728 0.000) 2.336 21.273 ( 1.121 -2.621 0.000) 2.851 ======================= Grid point 1040 (310/324) ======================= q-point: ( 0.27 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.113 ( -6.212 2.852 0.000) 6.835 5.222 ( 2.667 -0.600 0.000) 2.733 5.241 ( 2.677 1.148 -0.000) 2.913 5.449 ( -7.421 -0.887 0.000) 7.474 7.940 ( -0.602 -2.859 0.000) 2.921 7.943 ( -1.073 -2.232 -0.000) 2.476 8.881 ( -2.390 20.717 0.000) 20.854 9.731 ( -10.254 29.579 0.000) 31.306 11.393 ( 8.835 -19.965 0.000) 21.832 12.179 ( 1.799 -10.464 0.000) 10.617 17.373 ( -0.498 -0.921 0.000) 1.047 17.458 ( -2.340 -1.363 0.000) 2.708 18.198 ( 4.152 2.159 -0.000) 4.679 18.250 ( 3.277 1.276 0.000) 3.516 18.806 ( -0.817 -0.069 -0.000) 0.820 18.941 ( -2.419 -0.387 0.000) 2.450 21.040 ( 0.643 -1.526 0.000) 1.656 21.279 ( -0.556 -2.562 0.000) 2.621 ======================= Grid point 1042 (311/324) ======================= q-point: ( 0.36 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.017 ( -2.773 0.756 0.000) 2.874 5.253 ( -5.600 1.344 -0.000) 5.760 5.280 ( 2.599 -0.513 0.000) 2.649 5.316 ( -1.137 -2.533 -0.000) 2.776 7.930 ( -0.234 -3.970 0.000) 3.977 7.931 ( -0.244 -4.767 -0.000) 4.773 8.888 ( 3.028 26.782 0.000) 26.952 9.479 ( -13.471 33.051 0.000) 35.691 11.613 ( 11.834 -19.902 0.000) 23.154 12.162 ( -3.449 -13.409 0.000) 13.845 17.352 ( -1.299 -4.506 0.000) 4.690 17.396 ( -3.225 -4.710 0.000) 5.708 18.289 ( 4.188 -0.169 -0.000) 4.192 18.319 ( 3.120 -0.757 0.000) 3.210 18.801 ( 0.304 -0.714 -0.000) 0.776 18.889 ( -2.508 -0.846 0.000) 2.647 21.073 ( 2.465 -1.654 0.000) 2.968 21.252 ( -2.030 -2.452 0.000) 3.183 ======================= Grid point 1044 (312/324) ======================= q-point: ( 0.45 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.010 ( 2.228 -0.658 0.000) 2.323 5.103 ( -6.622 -1.100 -0.000) 6.713 5.321 ( 1.289 -0.580 0.000) 1.414 5.329 ( 0.417 -0.632 -0.000) 0.758 7.929 ( 0.026 -5.586 0.000) 5.586 7.929 ( -0.028 -5.896 0.000) 5.896 9.003 ( 8.172 31.538 0.000) 32.580 9.213 ( -12.113 33.682 0.000) 35.794 11.850 ( 10.925 -18.262 0.000) 21.280 12.044 ( -7.887 -16.050 0.000) 17.883 17.332 ( -0.390 -6.375 -0.000) 6.387 17.344 ( -1.642 -6.405 0.000) 6.612 18.353 ( 1.917 -2.328 -0.000) 3.016 18.363 ( 0.929 -2.527 0.000) 2.692 18.816 ( 1.081 -0.619 -0.000) 1.246 18.845 ( -1.772 -0.622 0.000) 1.878 21.134 ( 3.266 -1.986 0.000) 3.823 21.199 ( -3.029 -2.278 0.000) 3.790 ======================= Grid point 1056 (313/324) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.133 ( 0.000 0.517 -8.651) 8.667 5.133 ( 0.000 0.517 8.651) 8.667 5.616 ( 0.000 2.969 -8.659) 9.154 5.616 ( 0.000 2.969 8.659) 9.154 8.013 ( 0.000 0.979 -4.174) 4.288 8.013 ( 0.000 0.979 4.174) 4.288 9.621 ( 0.000 6.013 -1.843) 6.289 9.621 ( 0.000 6.013 1.843) 6.289 11.557 ( 0.000 -3.979 -5.653) 6.913 11.557 ( 0.000 -3.979 5.653) 6.913 17.515 ( 0.000 6.402 -1.233) 6.519 17.515 ( 0.000 6.401 1.233) 6.519 18.243 ( 0.000 3.312 -2.775) 4.321 18.243 ( 0.000 3.312 2.775) 4.321 18.979 ( 0.000 1.483 -3.231) 3.555 18.979 ( 0.000 1.483 3.231) 3.555 21.126 ( 0.000 -1.882 -1.776) 2.587 21.126 ( 0.000 -1.882 1.776) 2.587 ======================= Grid point 1058 (314/324) ======================= q-point: ( 0.09 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.142 ( 1.076 0.590 0.000) 1.227 5.152 ( 1.589 0.345 -0.000) 1.626 5.512 ( -6.689 4.391 0.000) 8.001 5.640 ( -1.068 1.055 0.000) 1.501 7.989 ( -1.870 0.706 0.000) 1.999 8.001 ( -1.537 0.411 -0.000) 1.591 9.416 ( -7.456 11.910 0.000) 14.051 9.902 ( 14.651 3.368 0.000) 15.033 11.305 ( -12.816 -1.075 0.000) 12.861 11.759 ( 8.086 -8.618 0.000) 11.817 17.484 ( -1.634 5.939 0.000) 6.160 17.539 ( 0.596 4.786 0.000) 4.823 18.220 ( -1.368 3.290 -0.000) 3.563 18.243 ( -0.307 2.667 0.000) 2.684 18.927 ( -2.908 2.167 -0.000) 3.627 19.002 ( 0.078 0.469 0.000) 0.476 21.073 ( -2.336 -0.535 0.000) 2.396 21.176 ( 2.107 -3.059 0.000) 3.714 ======================= Grid point 1060 (315/324) ======================= q-point: ( 0.18 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.174 ( 1.971 0.384 0.000) 2.008 5.195 ( 2.523 0.124 -0.000) 2.526 5.355 ( -8.306 5.091 0.000) 9.742 5.572 ( -5.573 -0.810 0.000) 5.632 7.943 ( -2.557 -0.412 0.000) 2.590 7.955 ( -2.743 -0.649 -0.000) 2.819 9.324 ( -1.639 18.810 0.000) 18.881 10.187 ( 12.038 8.350 0.000) 14.651 11.062 ( -9.932 -4.366 0.000) 10.849 11.879 ( 3.564 -13.336 0.000) 13.804 17.440 ( -2.946 3.464 0.000) 4.547 17.520 ( -2.806 1.577 0.000) 3.219 18.206 ( 0.390 2.888 -0.000) 2.914 18.243 ( 0.620 1.719 0.000) 1.827 18.867 ( -2.823 2.067 -0.000) 3.499 18.981 ( -2.131 -0.574 0.000) 2.207 21.037 ( -1.050 0.489 0.000) 1.159 21.208 ( 0.949 -3.732 0.000) 3.851 ======================= Grid point 1062 (316/324) ======================= q-point: ( 0.27 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.172 ( -6.350 2.502 0.000) 6.825 5.236 ( 1.093 2.202 0.000) 2.458 5.250 ( 2.619 -0.247 -0.000) 2.630 5.423 ( -8.642 -1.815 0.000) 8.831 7.890 ( -2.472 -2.005 0.000) 3.183 7.898 ( -2.701 -2.049 0.000) 3.390 9.345 ( 3.626 25.183 0.000) 25.443 10.308 ( -2.018 26.014 0.000) 26.092 10.981 ( 3.825 -19.501 0.000) 19.873 11.902 ( -1.347 -17.289 0.000) 17.341 17.363 ( -4.347 -0.018 0.000) 4.347 17.428 ( -5.784 -1.630 0.000) 6.009 18.238 ( 2.360 1.730 -0.000) 2.926 18.269 ( 1.738 0.620 0.000) 1.845 18.818 ( -1.842 1.206 -0.000) 2.202 18.924 ( -3.087 -1.302 0.000) 3.351 21.032 ( 0.569 0.751 0.000) 0.943 21.214 ( -0.381 -3.778 0.000) 3.797 ======================= Grid point 1064 (317/324) ======================= q-point: ( 0.36 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.049 ( -4.467 2.353 0.000) 5.049 5.233 ( -8.500 -2.791 0.000) 8.946 5.280 ( 2.230 0.451 0.000) 2.275 5.302 ( 1.448 0.477 -0.000) 1.525 7.846 ( -1.755 -3.553 0.000) 3.963 7.850 ( -1.895 -3.580 0.000) 4.051 9.464 ( 7.833 30.173 0.000) 31.173 10.147 ( -11.459 33.232 0.000) 35.152 11.172 ( 12.505 -24.167 0.000) 27.211 11.826 ( -5.979 -20.157 0.000) 21.025 17.276 ( -3.876 -2.962 0.000) 4.879 17.309 ( -5.292 -3.778 0.000) 6.502 18.285 ( 1.920 -0.181 -0.000) 1.928 18.303 ( 1.292 -0.831 0.000) 1.536 18.797 ( -0.226 0.247 -0.000) 0.335 18.866 ( -2.401 -1.374 0.000) 2.766 21.058 ( 1.851 0.159 0.000) 1.857 21.193 ( -1.562 -3.236 0.000) 3.593 ======================= Grid point 1066 (318/324) ======================= q-point: ( 0.45 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.008 ( 0.719 0.441 0.000) 0.844 5.078 ( -5.899 -1.365 0.000) 6.055 5.316 ( 1.183 0.033 0.000) 1.183 5.324 ( 0.396 -0.045 -0.000) 0.398 7.822 ( -0.589 -4.543 0.000) 4.581 7.823 ( -0.731 -4.574 0.000) 4.632 9.657 ( 10.848 33.206 0.000) 34.933 9.897 ( -12.421 34.158 0.000) 36.347 11.433 ( 12.443 -23.354 0.000) 26.462 11.663 ( -9.833 -22.059 0.000) 24.151 17.220 ( -1.312 -4.587 0.000) 4.771 17.229 ( -2.294 -4.804 0.000) 5.323 18.312 ( 0.747 -1.711 -0.000) 1.866 18.317 ( 0.173 -1.923 0.000) 1.931 18.805 ( 0.875 -0.437 0.000) 0.978 18.828 ( -1.424 -0.965 0.000) 1.720 21.103 ( 2.453 -0.984 0.000) 2.643 21.153 ( -2.322 -2.233 0.000) 3.221 ======================= Grid point 1078 (319/324) ======================= q-point: ( 0.00 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.138 ( 0.000 0.086 -3.039) 3.040 5.138 ( 0.000 0.086 3.039) 3.040 5.659 ( 0.000 1.170 -3.108) 3.321 5.659 ( 0.000 1.170 3.108) 3.321 8.027 ( 0.000 0.374 -1.430) 1.478 8.027 ( 0.000 0.374 1.430) 1.478 9.707 ( 0.000 2.283 -0.631) 2.369 9.707 ( 0.000 2.283 0.631) 2.369 11.500 ( 0.000 -1.523 -1.959) 2.481 11.500 ( 0.000 -1.523 1.959) 2.481 17.606 ( 0.000 2.416 -0.515) 2.470 17.606 ( 0.000 2.416 0.515) 2.470 18.289 ( 0.000 1.232 -0.853) 1.499 18.289 ( 0.000 1.232 0.853) 1.499 18.999 ( 0.000 0.515 -1.325) 1.421 18.999 ( 0.000 0.515 1.325) 1.421 21.099 ( 0.000 -0.711 -0.647) 0.961 21.099 ( 0.000 -0.711 0.647) 0.961 ======================= Grid point 1080 (320/324) ======================= q-point: ( 0.09 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.150 ( 1.164 0.271 0.000) 1.196 5.154 ( 1.383 -0.114 -0.000) 1.388 5.592 ( -5.213 3.370 0.000) 6.207 5.639 ( -3.187 -1.222 0.000) 3.413 8.001 ( -2.318 0.440 0.000) 2.359 8.006 ( -2.185 0.007 -0.000) 2.185 9.659 ( 0.396 11.857 0.000) 11.864 9.859 ( 9.668 -7.096 0.000) 11.993 11.377 ( -7.254 7.586 0.000) 10.496 11.566 ( 1.620 -10.279 0.000) 10.405 17.577 ( -2.392 3.052 0.000) 3.878 17.598 ( -1.541 0.972 0.000) 1.822 18.269 ( -1.419 1.490 -0.000) 2.057 18.277 ( -1.051 0.717 0.000) 1.273 18.968 ( -2.193 1.881 -0.000) 2.889 18.997 ( -1.060 -0.925 0.000) 1.407 21.080 ( -0.825 1.210 0.000) 1.465 21.119 ( 0.833 -2.555 0.000) 2.687 ======================= Grid point 1082 (321/324) ======================= q-point: ( 0.18 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.182 ( 1.876 0.464 0.000) 1.932 5.192 ( 2.202 -0.405 -0.000) 2.239 5.456 ( -7.788 4.691 -0.000) 9.092 5.534 ( -6.904 -2.954 0.000) 7.510 7.939 ( -3.568 0.059 0.000) 3.568 7.944 ( -3.614 -0.433 0.000) 3.640 9.719 ( 5.276 20.160 0.000) 20.839 10.090 ( 12.664 -15.114 0.000) 19.719 11.209 ( -9.063 16.069 0.000) 18.448 11.565 ( -1.723 -17.666 0.000) 17.750 17.500 ( -5.216 2.419 0.000) 5.750 17.531 ( -5.217 -0.556 0.000) 5.246 18.251 ( -0.087 1.474 -0.000) 1.476 18.263 ( -0.051 0.225 0.000) 0.230 18.913 ( -3.102 2.390 -0.000) 3.916 18.956 ( -2.859 -1.793 0.000) 3.374 21.068 ( -0.296 2.505 0.000) 2.523 21.132 ( 0.437 -3.698 0.000) 3.724 ======================= Grid point 1084 (322/324) ======================= q-point: ( 0.27 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.208 ( -0.927 1.442 0.000) 1.715 5.235 ( 1.487 -1.130 0.000) 1.867 5.303 ( -5.315 3.883 -0.000) 6.582 5.374 ( -7.963 -3.059 0.000) 8.530 7.863 ( -3.677 -0.609 0.000) 3.727 7.867 ( -3.772 -0.940 0.000) 3.888 9.865 ( 8.854 26.318 0.000) 27.767 10.364 ( 13.987 -21.400 0.000) 25.566 11.011 ( -10.316 23.301 0.000) 25.482 11.496 ( -5.022 -23.011 0.000) 23.553 17.372 ( -6.898 0.874 0.000) 6.953 17.396 ( -7.437 -1.468 0.000) 7.580 18.264 ( 1.113 0.916 -0.000) 1.441 18.274 ( 0.899 -0.101 0.000) 0.904 18.851 ( -2.736 1.967 -0.000) 3.369 18.891 ( -3.208 -1.941 0.000) 3.750 21.068 ( 0.299 2.732 0.000) 2.748 21.136 ( -0.062 -3.841 0.000) 3.841 ======================= Grid point 1086 (323/324) ======================= q-point: ( 0.36 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.105 ( -5.918 3.178 -0.000) 6.717 5.171 ( -7.064 -3.257 0.000) 7.779 5.293 ( 1.492 0.769 -0.000) 1.678 5.305 ( 0.889 -0.281 0.000) 0.932 7.796 ( -2.732 -1.278 0.000) 3.016 7.798 ( -2.809 -1.448 0.000) 3.160 10.070 ( 11.038 30.058 0.000) 32.021 10.649 ( 13.603 -27.002 0.000) 30.235 10.792 ( -10.936 29.954 0.000) 31.888 11.361 ( -8.104 -26.148 0.000) 27.375 17.239 ( -5.672 -0.613 0.000) 5.705 17.252 ( -6.193 -1.843 0.000) 6.461 18.283 ( 0.556 0.074 -0.000) 0.561 18.289 ( 0.359 -0.501 0.000) 0.616 18.810 ( -1.151 1.078 0.000) 1.577 18.837 ( -1.968 -1.491 0.000) 2.469 21.079 ( 0.727 1.885 0.000) 2.020 21.129 ( -0.541 -3.019 0.000) 3.067 ======================= Grid point 1088 (324/324) ======================= q-point: ( 0.45 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.025 ( -1.510 1.137 0.000) 1.890 5.051 ( -3.924 -1.354 0.000) 4.151 5.319 ( 0.820 0.220 0.000) 0.849 5.323 ( 0.450 -0.138 0.000) 0.470 7.757 ( -1.000 -1.700 0.000) 1.972 7.758 ( -1.047 -1.750 0.000) 2.039 10.307 ( 11.970 31.318 0.000) 33.528 10.552 ( -11.889 29.743 0.000) 32.031 10.927 ( 12.761 -25.976 0.000) 28.941 11.168 ( -10.774 -27.211 0.000) 29.266 17.157 ( -2.077 -1.539 0.000) 2.585 17.161 ( -2.452 -1.892 0.000) 3.097 18.288 ( 0.062 -0.571 -0.000) 0.575 18.290 ( -0.120 -0.760 0.000) 0.770 18.801 ( 0.103 0.124 0.000) 0.161 18.810 ( -0.776 -0.742 0.000) 1.074 21.096 ( 0.918 0.307 0.000) 0.968 21.115 ( -0.855 -1.497 0.000) 1.724 =================== 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 3/34848 10.0 4772.084 8446.976 5240.317 0.000 0.000 0.000 3/34848 20.0 3596.434 4603.102 3639.524 0.000 0.000 0.000 3/34848 30.0 2187.819 2659.568 2902.060 0.000 0.000 0.000 3/34848 40.0 1491.200 1808.056 2326.752 0.000 0.000 0.000 3/34848 50.0 1120.965 1344.538 1898.571 0.000 0.000 -0.000 3/34848 60.0 888.409 1047.122 1578.999 0.000 0.000 -0.000 3/34848 70.0 725.111 839.438 1331.664 0.000 0.000 -0.000 3/34848 80.0 604.034 688.829 1136.641 0.000 0.000 -0.000 3/34848 90.0 511.515 576.687 980.918 0.000 0.000 -0.000 3/34848 100.0 439.203 491.047 854.916 0.000 0.000 -0.000 3/34848 110.0 381.593 424.091 751.616 0.000 0.000 -0.000 3/34848 120.0 334.956 370.674 665.962 0.000 0.000 -0.000 3/34848 130.0 296.704 327.352 594.287 0.000 0.000 -0.000 3/34848 140.0 264.991 291.746 533.862 0.000 0.000 -0.000 3/34848 150.0 238.462 262.154 482.601 0.000 0.000 -0.000 3/34848 160.0 216.091 237.325 438.865 0.000 0.000 -0.000 3/34848 170.0 197.086 216.311 401.344 0.000 0.000 -0.000 3/34848 180.0 180.828 198.384 368.981 0.000 0.000 -0.000 3/34848 190.0 166.825 182.976 340.913 0.000 0.000 -0.000 3/34848 200.0 154.685 169.638 316.441 0.000 0.000 -0.000 3/34848 210.0 144.094 158.014 294.987 0.000 0.000 -0.000 3/34848 220.0 134.797 147.818 276.081 0.000 0.000 -0.000 3/34848 230.0 126.588 138.821 259.335 0.000 0.000 -0.000 3/34848 240.0 119.301 130.836 244.426 0.000 0.000 -0.000 3/34848 250.0 112.796 123.710 231.091 0.000 0.000 -0.000 3/34848 260.0 106.961 117.319 219.108 0.000 0.000 -0.000 3/34848 270.0 101.702 111.559 208.292 0.000 0.000 -0.000 3/34848 280.0 96.941 106.344 198.490 0.000 0.000 -0.000 3/34848 290.0 92.612 101.603 189.572 0.000 0.000 -0.000 3/34848 300.0 88.662 97.275 181.427 0.000 0.000 -0.000 3/34848 310.0 85.043 93.310 173.963 0.000 0.000 -0.000 3/34848 320.0 81.716 89.665 167.099 0.000 0.000 -0.000 3/34848 330.0 78.648 86.303 160.768 0.000 0.000 -0.000 3/34848 340.0 75.809 83.193 154.911 0.000 0.000 -0.000 3/34848 350.0 73.176 80.307 149.478 0.000 0.000 -0.000 3/34848 360.0 70.726 77.622 144.424 0.000 0.000 -0.000 3/34848 370.0 68.442 75.118 139.711 0.000 0.000 -0.000 3/34848 380.0 66.307 72.776 135.307 0.000 0.000 -0.000 3/34848 390.0 64.306 70.582 131.182 0.000 0.000 -0.000 3/34848 400.0 62.427 68.522 127.309 0.000 0.000 -0.000 3/34848 410.0 60.660 66.584 123.668 0.000 0.000 -0.000 3/34848 420.0 58.994 64.757 120.236 0.000 0.000 -0.000 3/34848 430.0 57.421 63.032 116.997 0.000 0.000 -0.000 3/34848 440.0 55.934 61.400 113.935 0.000 0.000 -0.000 3/34848 450.0 54.525 59.854 111.035 0.000 0.000 -0.000 3/34848 460.0 53.188 58.388 108.285 0.000 0.000 -0.000 3/34848 470.0 51.918 56.994 105.673 0.000 0.000 -0.000 3/34848 480.0 50.709 55.668 103.189 0.000 0.000 -0.000 3/34848 490.0 49.558 54.405 100.824 0.000 0.000 -0.000 3/34848 500.0 48.460 53.200 98.569 0.000 0.000 -0.000 3/34848 510.0 47.412 52.049 96.416 0.000 0.000 -0.000 3/34848 520.0 46.409 50.949 94.359 0.000 0.000 -0.000 3/34848 530.0 45.450 49.897 92.391 0.000 0.000 -0.000 3/34848 540.0 44.532 48.888 90.506 0.000 0.000 -0.000 3/34848 550.0 43.651 47.921 88.700 0.000 0.000 -0.000 3/34848 560.0 42.805 46.993 86.967 0.000 0.000 -0.000 3/34848 570.0 41.993 46.102 85.303 0.000 0.000 -0.000 3/34848 580.0 41.212 45.244 83.703 0.000 0.000 -0.000 3/34848 590.0 40.461 44.420 82.164 0.000 0.000 -0.000 3/34848 600.0 39.737 43.625 80.683 0.000 0.000 -0.000 3/34848 610.0 39.040 42.860 79.256 0.000 0.000 -0.000 3/34848 620.0 38.368 42.122 77.881 0.000 0.000 -0.000 3/34848 630.0 37.719 41.410 76.554 0.000 0.000 -0.000 3/34848 640.0 37.092 40.722 75.272 0.000 0.000 -0.000 3/34848 650.0 36.487 40.057 74.035 0.000 0.000 -0.000 3/34848 660.0 35.901 39.414 72.838 0.000 0.000 -0.000 3/34848 670.0 35.335 38.792 71.681 0.000 0.000 -0.000 3/34848 680.0 34.787 38.190 70.561 0.000 0.000 -0.000 3/34848 690.0 34.256 37.607 69.476 0.000 0.000 -0.000 3/34848 700.0 33.741 37.042 68.426 0.000 0.000 -0.000 3/34848 710.0 33.242 36.495 67.407 0.000 0.000 -0.000 3/34848 720.0 32.758 35.963 66.419 0.000 0.000 -0.000 3/34848 730.0 32.288 35.447 65.461 0.000 0.000 -0.000 3/34848 740.0 31.832 34.947 64.530 0.000 0.000 -0.000 3/34848 750.0 31.389 34.460 63.627 0.000 0.000 -0.000 3/34848 760.0 30.959 33.987 62.749 0.000 0.000 -0.000 3/34848 770.0 30.540 33.528 61.895 0.000 0.000 -0.000 3/34848 780.0 30.133 33.081 61.065 0.000 0.000 -0.000 3/34848 790.0 29.737 32.645 60.257 0.000 0.000 -0.000 3/34848 800.0 29.351 32.222 59.471 0.000 0.000 -0.000 3/34848 810.0 28.975 31.809 58.706 0.000 0.000 -0.000 3/34848 820.0 28.609 31.408 57.961 0.000 0.000 -0.000 3/34848 830.0 28.253 31.016 57.234 0.000 0.000 -0.000 3/34848 840.0 27.905 30.634 56.526 0.000 0.000 -0.000 3/34848 850.0 27.566 30.262 55.836 0.000 0.000 -0.000 3/34848 860.0 27.235 29.899 55.163 0.000 0.000 -0.000 3/34848 870.0 26.913 29.545 54.506 0.000 0.000 -0.000 3/34848 880.0 26.598 29.199 53.865 0.000 0.000 -0.000 3/34848 890.0 26.290 28.861 53.239 0.000 0.000 -0.000 3/34848 900.0 25.990 28.531 52.628 0.000 0.000 -0.000 3/34848 910.0 25.696 28.209 52.031 0.000 0.000 -0.000 3/34848 920.0 25.409 27.894 51.448 0.000 0.000 -0.000 3/34848 930.0 25.129 27.586 50.877 0.000 0.000 -0.000 3/34848 940.0 24.855 27.285 50.320 0.000 0.000 -0.000 3/34848 950.0 24.587 26.991 49.775 0.000 0.000 -0.000 3/34848 960.0 24.325 26.703 49.242 0.000 0.000 -0.000 3/34848 970.0 24.068 26.421 48.720 0.000 0.000 -0.000 3/34848 980.0 23.817 26.145 48.209 0.000 0.000 -0.000 3/34848 990.0 23.571 25.875 47.709 0.000 0.000 -0.000 3/34848 1000.0 23.330 25.611 47.220 0.000 0.000 -0.000 3/34848 Thermal conductivity related properties were written into "kappa-m111116.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:50:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|