----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:11:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/nmc (137) Number of symmetry operations in supercell: 288 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.586878530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.586878530000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.175781310000000 Atomic positions (fractional): *1 O 0.00000000000000 0.50000000000000 0.29760289978426 15.999 2 O 0.00000000000000 0.50000000000000 0.79760289978426 15.999 3 O 0.50000000000000 0.00000000000000 0.70239710021574 15.999 4 O 0.50000000000000 0.00000000000000 0.20239710021574 15.999 *5 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 6 Zr 0.50000000000000 0.50000000000000 0.50000000000000 91.224 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.586878530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.586878530000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.175781310000000 Atomic positions (fractional): *1 O 0.00000000000000 0.50000000000000 0.29760289978426 15.999 > 1 2 O 0.00000000000000 0.50000000000000 0.79760289978426 15.999 > 2 3 O 0.50000000000000 0.00000000000000 0.70239710021574 15.999 > 3 4 O 0.50000000000000 0.00000000000000 0.20239710021574 15.999 > 4 *5 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 > 5 6 Zr 0.50000000000000 0.50000000000000 0.50000000000000 91.224 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.760635590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.760635590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.351562619999999 Atomic positions (fractional): *1 O 0.00000000000000 0.16666666666667 0.14880144989213 15.999 > 1 2 O 0.33333333333333 0.16666666666667 0.14880144989213 15.999 > 1 3 O 0.66666666666667 0.16666666666667 0.14880144989213 15.999 > 1 4 O 0.00000000000000 0.50000000000000 0.14880144989213 15.999 > 1 5 O 0.33333333333333 0.50000000000000 0.14880144989213 15.999 > 1 6 O 0.66666666666667 0.50000000000000 0.14880144989213 15.999 > 1 7 O 0.00000000000000 0.83333333333333 0.14880144989213 15.999 > 1 8 O 0.33333333333333 0.83333333333333 0.14880144989213 15.999 > 1 9 O 0.66666666666667 0.83333333333333 0.14880144989213 15.999 > 1 10 O 0.00000000000000 0.16666666666667 0.64880144989213 15.999 > 1 11 O 0.33333333333333 0.16666666666667 0.64880144989213 15.999 > 1 12 O 0.66666666666667 0.16666666666667 0.64880144989213 15.999 > 1 13 O 0.00000000000000 0.50000000000000 0.64880144989213 15.999 > 1 14 O 0.33333333333333 0.50000000000000 0.64880144989213 15.999 > 1 15 O 0.66666666666667 0.50000000000000 0.64880144989213 15.999 > 1 16 O 0.00000000000000 0.83333333333333 0.64880144989213 15.999 > 1 17 O 0.33333333333333 0.83333333333333 0.64880144989213 15.999 > 1 18 O 0.66666666666667 0.83333333333333 0.64880144989213 15.999 > 1 19 O 0.00000000000000 0.16666666666667 0.39880144989213 15.999 > 2 20 O 0.33333333333333 0.16666666666667 0.39880144989213 15.999 > 2 21 O 0.66666666666667 0.16666666666667 0.39880144989213 15.999 > 2 22 O 0.00000000000000 0.50000000000000 0.39880144989213 15.999 > 2 23 O 0.33333333333333 0.50000000000000 0.39880144989213 15.999 > 2 24 O 0.66666666666667 0.50000000000000 0.39880144989213 15.999 > 2 25 O 0.00000000000000 0.83333333333333 0.39880144989213 15.999 > 2 26 O 0.33333333333333 0.83333333333333 0.39880144989213 15.999 > 2 27 O 0.66666666666667 0.83333333333333 0.39880144989213 15.999 > 2 28 O 0.00000000000000 0.16666666666667 0.89880144989213 15.999 > 2 29 O 0.33333333333333 0.16666666666667 0.89880144989213 15.999 > 2 30 O 0.66666666666667 0.16666666666667 0.89880144989213 15.999 > 2 31 O 0.00000000000000 0.50000000000000 0.89880144989213 15.999 > 2 32 O 0.33333333333333 0.50000000000000 0.89880144989213 15.999 > 2 33 O 0.66666666666667 0.50000000000000 0.89880144989213 15.999 > 2 34 O 0.00000000000000 0.83333333333333 0.89880144989213 15.999 > 2 35 O 0.33333333333333 0.83333333333333 0.89880144989213 15.999 > 2 36 O 0.66666666666667 0.83333333333333 0.89880144989213 15.999 > 2 37 O 0.16666666666667 0.00000000000000 0.35119855010787 15.999 > 3 38 O 0.50000000000000 0.00000000000000 0.35119855010787 15.999 > 3 39 O 0.83333333333333 0.00000000000000 0.35119855010787 15.999 > 3 40 O 0.16666666666667 0.33333333333333 0.35119855010787 15.999 > 3 41 O 0.50000000000000 0.33333333333333 0.35119855010787 15.999 > 3 42 O 0.83333333333333 0.33333333333333 0.35119855010787 15.999 > 3 43 O 0.16666666666667 0.66666666666667 0.35119855010787 15.999 > 3 44 O 0.50000000000000 0.66666666666667 0.35119855010787 15.999 > 3 45 O 0.83333333333333 0.66666666666667 0.35119855010787 15.999 > 3 46 O 0.16666666666667 0.00000000000000 0.85119855010787 15.999 > 3 47 O 0.50000000000000 0.00000000000000 0.85119855010787 15.999 > 3 48 O 0.83333333333333 0.00000000000000 0.85119855010787 15.999 > 3 49 O 0.16666666666667 0.33333333333333 0.85119855010787 15.999 > 3 50 O 0.50000000000000 0.33333333333333 0.85119855010787 15.999 > 3 51 O 0.83333333333333 0.33333333333333 0.85119855010787 15.999 > 3 52 O 0.16666666666667 0.66666666666667 0.85119855010787 15.999 > 3 53 O 0.50000000000000 0.66666666666667 0.85119855010787 15.999 > 3 54 O 0.83333333333333 0.66666666666667 0.85119855010787 15.999 > 3 55 O 0.16666666666667 0.00000000000000 0.10119855010787 15.999 > 4 56 O 0.50000000000000 0.00000000000000 0.10119855010787 15.999 > 4 57 O 0.83333333333333 0.00000000000000 0.10119855010787 15.999 > 4 58 O 0.16666666666667 0.33333333333333 0.10119855010787 15.999 > 4 59 O 0.50000000000000 0.33333333333333 0.10119855010787 15.999 > 4 60 O 0.83333333333333 0.33333333333333 0.10119855010787 15.999 > 4 61 O 0.16666666666667 0.66666666666667 0.10119855010787 15.999 > 4 62 O 0.50000000000000 0.66666666666667 0.10119855010787 15.999 > 4 63 O 0.83333333333333 0.66666666666667 0.10119855010787 15.999 > 4 64 O 0.16666666666667 0.00000000000000 0.60119855010787 15.999 > 4 65 O 0.50000000000000 0.00000000000000 0.60119855010787 15.999 > 4 66 O 0.83333333333333 0.00000000000000 0.60119855010787 15.999 > 4 67 O 0.16666666666667 0.33333333333333 0.60119855010787 15.999 > 4 68 O 0.50000000000000 0.33333333333333 0.60119855010787 15.999 > 4 69 O 0.83333333333333 0.33333333333333 0.60119855010787 15.999 > 4 70 O 0.16666666666667 0.66666666666667 0.60119855010787 15.999 > 4 71 O 0.50000000000000 0.66666666666667 0.60119855010787 15.999 > 4 72 O 0.83333333333333 0.66666666666667 0.60119855010787 15.999 > 4 *73 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 > 5 74 Zr 0.33333333333333 0.00000000000000 0.00000000000000 91.224 > 5 75 Zr 0.66666666666667 0.00000000000000 0.00000000000000 91.224 > 5 76 Zr 0.00000000000000 0.33333333333333 0.00000000000000 91.224 > 5 77 Zr 0.33333333333333 0.33333333333333 0.00000000000000 91.224 > 5 78 Zr 0.66666666666667 0.33333333333333 0.00000000000000 91.224 > 5 79 Zr 0.00000000000000 0.66666666666667 0.00000000000000 91.224 > 5 80 Zr 0.33333333333333 0.66666666666667 0.00000000000000 91.224 > 5 81 Zr 0.66666666666667 0.66666666666667 0.00000000000000 91.224 > 5 82 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 > 5 83 Zr 0.33333333333333 0.00000000000000 0.50000000000000 91.224 > 5 84 Zr 0.66666666666667 0.00000000000000 0.50000000000000 91.224 > 5 85 Zr 0.00000000000000 0.33333333333333 0.50000000000000 91.224 > 5 86 Zr 0.33333333333333 0.33333333333333 0.50000000000000 91.224 > 5 87 Zr 0.66666666666667 0.33333333333333 0.50000000000000 91.224 > 5 88 Zr 0.00000000000000 0.66666666666667 0.50000000000000 91.224 > 5 89 Zr 0.33333333333333 0.66666666666667 0.50000000000000 91.224 > 5 90 Zr 0.66666666666667 0.66666666666667 0.50000000000000 91.224 > 5 91 Zr 0.16666666666667 0.16666666666667 0.25000000000000 91.224 > 6 92 Zr 0.50000000000000 0.16666666666667 0.25000000000000 91.224 > 6 93 Zr 0.83333333333333 0.16666666666667 0.25000000000000 91.224 > 6 94 Zr 0.16666666666667 0.50000000000000 0.25000000000000 91.224 > 6 95 Zr 0.50000000000000 0.50000000000000 0.25000000000000 91.224 > 6 96 Zr 0.83333333333333 0.50000000000000 0.25000000000000 91.224 > 6 97 Zr 0.16666666666667 0.83333333333333 0.25000000000000 91.224 > 6 98 Zr 0.50000000000000 0.83333333333333 0.25000000000000 91.224 > 6 99 Zr 0.83333333333333 0.83333333333333 0.25000000000000 91.224 > 6 100 Zr 0.16666666666667 0.16666666666667 0.75000000000000 91.224 > 6 101 Zr 0.50000000000000 0.16666666666667 0.75000000000000 91.224 > 6 102 Zr 0.83333333333333 0.16666666666667 0.75000000000000 91.224 > 6 103 Zr 0.16666666666667 0.50000000000000 0.75000000000000 91.224 > 6 104 Zr 0.50000000000000 0.50000000000000 0.75000000000000 91.224 > 6 105 Zr 0.83333333333333 0.50000000000000 0.75000000000000 91.224 > 6 106 Zr 0.16666666666667 0.83333333333333 0.75000000000000 91.224 > 6 107 Zr 0.50000000000000 0.83333333333333 0.75000000000000 91.224 > 6 108 Zr 0.83333333333333 0.83333333333333 0.75000000000000 91.224 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7915844 0.0000000 0.0000000 0.0000000 5.7915844 0.0000000 0.0000000 0.0000000 5.1983267 -------------------------- Born effective charges -------------------------- 1 O -3.6266961 0.0000000 0.0000000 0.0000000 -2.1297828 0.0000000 0.0000000 0.0000000 -2.4921149 2 O -2.1297828 0.0000000 0.0000000 0.0000000 -3.6266961 0.0000000 0.0000000 0.0000000 -2.4921149 3 O -2.1297828 0.0000000 0.0000000 0.0000000 -3.6266961 0.0000000 0.0000000 0.0000000 -2.4921149 4 O -3.6266961 0.0000000 0.0000000 0.0000000 -2.1297828 0.0000000 0.0000000 0.0000000 -2.4921149 5 Zr 5.7564789 0.0000000 0.0000000 0.0000000 5.7564789 0.0000000 0.0000000 0.0000000 4.9842297 6 Zr 5.7564789 0.0000000 0.0000000 0.0000000 5.7564789 0.0000000 0.0000000 0.0000000 4.9842297 ---------------------------------------------------------------------------- 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: 241 Number of blocks in projector: 241 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 96 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 72 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 52 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 21 Use standard eigh solver. Tree of FC basis block matrices: - (241, 236), data: False |-- (21, 21), data: True |-- (52, 50), data: True |-- (72, 72), data: True |-- (96, 93), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 80 / 80 - Time: 0.222 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.229 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) 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: 241 Number of blocks in projector: 241 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 96 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 72 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 52 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 21 Use standard eigh solver. Tree of FC basis block matrices: - (241, 236), data: False |-- (21, 21), data: True |-- (52, 50), data: True |-- (72, 72), data: True |-- (96, 93), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:11:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:11:39]------------------------- 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 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/nmc (137) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.586878530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.586878530000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.175781310000000 Atomic positions (fractional): 1 O 0.00000000000000 0.50000000000000 0.29760289978426 15.999 2 O 0.00000000000000 0.50000000000000 0.79760289978426 15.999 3 O 0.50000000000000 0.00000000000000 0.70239710021574 15.999 4 O 0.50000000000000 0.00000000000000 0.20239710021574 15.999 5 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 6 Zr 0.50000000000000 0.50000000000000 0.50000000000000 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.760635590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.760635590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.351562619999999 Atomic positions (fractional): 1 O 0.00000000000000 0.16666666666667 0.14880144989213 15.999 > 1 2 O 0.33333333333333 0.16666666666667 0.14880144989213 15.999 > 1 3 O 0.66666666666667 0.16666666666667 0.14880144989213 15.999 > 1 4 O 0.00000000000000 0.50000000000000 0.14880144989213 15.999 > 1 5 O 0.33333333333333 0.50000000000000 0.14880144989213 15.999 > 1 6 O 0.66666666666667 0.50000000000000 0.14880144989213 15.999 > 1 7 O 0.00000000000000 0.83333333333333 0.14880144989213 15.999 > 1 8 O 0.33333333333333 0.83333333333333 0.14880144989213 15.999 > 1 9 O 0.66666666666667 0.83333333333333 0.14880144989213 15.999 > 1 10 O 0.00000000000000 0.16666666666667 0.64880144989213 15.999 > 1 11 O 0.33333333333333 0.16666666666667 0.64880144989213 15.999 > 1 12 O 0.66666666666667 0.16666666666667 0.64880144989213 15.999 > 1 13 O 0.00000000000000 0.50000000000000 0.64880144989213 15.999 > 1 14 O 0.33333333333333 0.50000000000000 0.64880144989213 15.999 > 1 15 O 0.66666666666667 0.50000000000000 0.64880144989213 15.999 > 1 16 O 0.00000000000000 0.83333333333333 0.64880144989213 15.999 > 1 17 O 0.33333333333333 0.83333333333333 0.64880144989213 15.999 > 1 18 O 0.66666666666667 0.83333333333333 0.64880144989213 15.999 > 1 19 O 0.00000000000000 0.16666666666667 0.39880144989213 15.999 > 19 20 O 0.33333333333333 0.16666666666667 0.39880144989213 15.999 > 19 21 O 0.66666666666667 0.16666666666667 0.39880144989213 15.999 > 19 22 O 0.00000000000000 0.50000000000000 0.39880144989213 15.999 > 19 23 O 0.33333333333333 0.50000000000000 0.39880144989213 15.999 > 19 24 O 0.66666666666667 0.50000000000000 0.39880144989213 15.999 > 19 25 O 0.00000000000000 0.83333333333333 0.39880144989213 15.999 > 19 26 O 0.33333333333333 0.83333333333333 0.39880144989213 15.999 > 19 27 O 0.66666666666667 0.83333333333333 0.39880144989213 15.999 > 19 28 O 0.00000000000000 0.16666666666667 0.89880144989213 15.999 > 19 29 O 0.33333333333333 0.16666666666667 0.89880144989213 15.999 > 19 30 O 0.66666666666667 0.16666666666667 0.89880144989213 15.999 > 19 31 O 0.00000000000000 0.50000000000000 0.89880144989213 15.999 > 19 32 O 0.33333333333333 0.50000000000000 0.89880144989213 15.999 > 19 33 O 0.66666666666667 0.50000000000000 0.89880144989213 15.999 > 19 34 O 0.00000000000000 0.83333333333333 0.89880144989213 15.999 > 19 35 O 0.33333333333333 0.83333333333333 0.89880144989213 15.999 > 19 36 O 0.66666666666667 0.83333333333333 0.89880144989213 15.999 > 19 37 O 0.16666666666667 0.00000000000000 0.35119855010787 15.999 > 37 38 O 0.50000000000000 0.00000000000000 0.35119855010787 15.999 > 37 39 O 0.83333333333333 0.00000000000000 0.35119855010787 15.999 > 37 40 O 0.16666666666667 0.33333333333333 0.35119855010787 15.999 > 37 41 O 0.50000000000000 0.33333333333333 0.35119855010787 15.999 > 37 42 O 0.83333333333333 0.33333333333333 0.35119855010787 15.999 > 37 43 O 0.16666666666667 0.66666666666667 0.35119855010787 15.999 > 37 44 O 0.50000000000000 0.66666666666667 0.35119855010787 15.999 > 37 45 O 0.83333333333333 0.66666666666667 0.35119855010787 15.999 > 37 46 O 0.16666666666667 0.00000000000000 0.85119855010787 15.999 > 37 47 O 0.50000000000000 0.00000000000000 0.85119855010787 15.999 > 37 48 O 0.83333333333333 0.00000000000000 0.85119855010787 15.999 > 37 49 O 0.16666666666667 0.33333333333333 0.85119855010787 15.999 > 37 50 O 0.50000000000000 0.33333333333333 0.85119855010787 15.999 > 37 51 O 0.83333333333333 0.33333333333333 0.85119855010787 15.999 > 37 52 O 0.16666666666667 0.66666666666667 0.85119855010787 15.999 > 37 53 O 0.50000000000000 0.66666666666667 0.85119855010787 15.999 > 37 54 O 0.83333333333333 0.66666666666667 0.85119855010787 15.999 > 37 55 O 0.16666666666667 0.00000000000000 0.10119855010787 15.999 > 55 56 O 0.50000000000000 0.00000000000000 0.10119855010787 15.999 > 55 57 O 0.83333333333333 0.00000000000000 0.10119855010787 15.999 > 55 58 O 0.16666666666667 0.33333333333333 0.10119855010787 15.999 > 55 59 O 0.50000000000000 0.33333333333333 0.10119855010787 15.999 > 55 60 O 0.83333333333333 0.33333333333333 0.10119855010787 15.999 > 55 61 O 0.16666666666667 0.66666666666667 0.10119855010787 15.999 > 55 62 O 0.50000000000000 0.66666666666667 0.10119855010787 15.999 > 55 63 O 0.83333333333333 0.66666666666667 0.10119855010787 15.999 > 55 64 O 0.16666666666667 0.00000000000000 0.60119855010787 15.999 > 55 65 O 0.50000000000000 0.00000000000000 0.60119855010787 15.999 > 55 66 O 0.83333333333333 0.00000000000000 0.60119855010787 15.999 > 55 67 O 0.16666666666667 0.33333333333333 0.60119855010787 15.999 > 55 68 O 0.50000000000000 0.33333333333333 0.60119855010787 15.999 > 55 69 O 0.83333333333333 0.33333333333333 0.60119855010787 15.999 > 55 70 O 0.16666666666667 0.66666666666667 0.60119855010787 15.999 > 55 71 O 0.50000000000000 0.66666666666667 0.60119855010787 15.999 > 55 72 O 0.83333333333333 0.66666666666667 0.60119855010787 15.999 > 55 73 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 > 73 74 Zr 0.33333333333333 0.00000000000000 0.00000000000000 91.224 > 73 75 Zr 0.66666666666667 0.00000000000000 0.00000000000000 91.224 > 73 76 Zr 0.00000000000000 0.33333333333333 0.00000000000000 91.224 > 73 77 Zr 0.33333333333333 0.33333333333333 0.00000000000000 91.224 > 73 78 Zr 0.66666666666667 0.33333333333333 0.00000000000000 91.224 > 73 79 Zr 0.00000000000000 0.66666666666667 0.00000000000000 91.224 > 73 80 Zr 0.33333333333333 0.66666666666667 0.00000000000000 91.224 > 73 81 Zr 0.66666666666667 0.66666666666667 0.00000000000000 91.224 > 73 82 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 > 73 83 Zr 0.33333333333333 0.00000000000000 0.50000000000000 91.224 > 73 84 Zr 0.66666666666667 0.00000000000000 0.50000000000000 91.224 > 73 85 Zr 0.00000000000000 0.33333333333333 0.50000000000000 91.224 > 73 86 Zr 0.33333333333333 0.33333333333333 0.50000000000000 91.224 > 73 87 Zr 0.66666666666667 0.33333333333333 0.50000000000000 91.224 > 73 88 Zr 0.00000000000000 0.66666666666667 0.50000000000000 91.224 > 73 89 Zr 0.33333333333333 0.66666666666667 0.50000000000000 91.224 > 73 90 Zr 0.66666666666667 0.66666666666667 0.50000000000000 91.224 > 73 91 Zr 0.16666666666667 0.16666666666667 0.25000000000000 91.224 > 91 92 Zr 0.50000000000000 0.16666666666667 0.25000000000000 91.224 > 91 93 Zr 0.83333333333333 0.16666666666667 0.25000000000000 91.224 > 91 94 Zr 0.16666666666667 0.50000000000000 0.25000000000000 91.224 > 91 95 Zr 0.50000000000000 0.50000000000000 0.25000000000000 91.224 > 91 96 Zr 0.83333333333333 0.50000000000000 0.25000000000000 91.224 > 91 97 Zr 0.16666666666667 0.83333333333333 0.25000000000000 91.224 > 91 98 Zr 0.50000000000000 0.83333333333333 0.25000000000000 91.224 > 91 99 Zr 0.83333333333333 0.83333333333333 0.25000000000000 91.224 > 91 100 Zr 0.16666666666667 0.16666666666667 0.75000000000000 91.224 > 91 101 Zr 0.50000000000000 0.16666666666667 0.75000000000000 91.224 > 91 102 Zr 0.83333333333333 0.16666666666667 0.75000000000000 91.224 > 91 103 Zr 0.16666666666667 0.50000000000000 0.75000000000000 91.224 > 91 104 Zr 0.50000000000000 0.50000000000000 0.75000000000000 91.224 > 91 105 Zr 0.83333333333333 0.50000000000000 0.75000000000000 91.224 > 91 106 Zr 0.16666666666667 0.83333333333333 0.75000000000000 91.224 > 91 107 Zr 0.50000000000000 0.83333333333333 0.75000000000000 91.224 > 91 108 Zr 0.83333333333333 0.83333333333333 0.75000000000000 91.224 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7915844 0.0000000 0.0000000 0.0000000 5.7915844 0.0000000 0.0000000 0.0000000 5.1983267 -------------------------- Born effective charges -------------------------- 1 O -3.6266961 0.0000000 0.0000000 0.0000000 -2.1297828 0.0000000 0.0000000 0.0000000 -2.4921149 2 O -2.1297828 0.0000000 0.0000000 0.0000000 -3.6266961 0.0000000 0.0000000 0.0000000 -2.4921149 3 O -2.1297828 0.0000000 0.0000000 0.0000000 -3.6266961 0.0000000 0.0000000 0.0000000 -2.4921149 4 O -3.6266961 0.0000000 0.0000000 0.0000000 -2.1297828 0.0000000 0.0000000 0.0000000 -2.4921149 5 Zr 5.7564789 0.0000000 0.0000000 0.0000000 5.7564789 0.0000000 0.0000000 0.0000000 4.9842297 6 Zr 5.7564789 0.0000000 0.0000000 0.0000000 5.7564789 0.0000000 0.0000000 0.0000000 4.9842297 ---------------------------------------------------------------------------- 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 0.0000 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: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:11:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:11:44]------------------------- 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 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/nmc (137) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.586878530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.586878530000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.175781310000000 Atomic positions (fractional): 1 O 0.00000000000000 0.50000000000000 0.29760289978426 15.999 2 O 0.00000000000000 0.50000000000000 0.79760289978426 15.999 3 O 0.50000000000000 0.00000000000000 0.70239710021574 15.999 4 O 0.50000000000000 0.00000000000000 0.20239710021574 15.999 5 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 6 Zr 0.50000000000000 0.50000000000000 0.50000000000000 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.760635590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.760635590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.351562619999999 Atomic positions (fractional): 1 O 0.00000000000000 0.16666666666667 0.14880144989213 15.999 > 1 2 O 0.33333333333333 0.16666666666667 0.14880144989213 15.999 > 1 3 O 0.66666666666667 0.16666666666667 0.14880144989213 15.999 > 1 4 O 0.00000000000000 0.50000000000000 0.14880144989213 15.999 > 1 5 O 0.33333333333333 0.50000000000000 0.14880144989213 15.999 > 1 6 O 0.66666666666667 0.50000000000000 0.14880144989213 15.999 > 1 7 O 0.00000000000000 0.83333333333333 0.14880144989213 15.999 > 1 8 O 0.33333333333333 0.83333333333333 0.14880144989213 15.999 > 1 9 O 0.66666666666667 0.83333333333333 0.14880144989213 15.999 > 1 10 O 0.00000000000000 0.16666666666667 0.64880144989213 15.999 > 1 11 O 0.33333333333333 0.16666666666667 0.64880144989213 15.999 > 1 12 O 0.66666666666667 0.16666666666667 0.64880144989213 15.999 > 1 13 O 0.00000000000000 0.50000000000000 0.64880144989213 15.999 > 1 14 O 0.33333333333333 0.50000000000000 0.64880144989213 15.999 > 1 15 O 0.66666666666667 0.50000000000000 0.64880144989213 15.999 > 1 16 O 0.00000000000000 0.83333333333333 0.64880144989213 15.999 > 1 17 O 0.33333333333333 0.83333333333333 0.64880144989213 15.999 > 1 18 O 0.66666666666667 0.83333333333333 0.64880144989213 15.999 > 1 19 O 0.00000000000000 0.16666666666667 0.39880144989213 15.999 > 19 20 O 0.33333333333333 0.16666666666667 0.39880144989213 15.999 > 19 21 O 0.66666666666667 0.16666666666667 0.39880144989213 15.999 > 19 22 O 0.00000000000000 0.50000000000000 0.39880144989213 15.999 > 19 23 O 0.33333333333333 0.50000000000000 0.39880144989213 15.999 > 19 24 O 0.66666666666667 0.50000000000000 0.39880144989213 15.999 > 19 25 O 0.00000000000000 0.83333333333333 0.39880144989213 15.999 > 19 26 O 0.33333333333333 0.83333333333333 0.39880144989213 15.999 > 19 27 O 0.66666666666667 0.83333333333333 0.39880144989213 15.999 > 19 28 O 0.00000000000000 0.16666666666667 0.89880144989213 15.999 > 19 29 O 0.33333333333333 0.16666666666667 0.89880144989213 15.999 > 19 30 O 0.66666666666667 0.16666666666667 0.89880144989213 15.999 > 19 31 O 0.00000000000000 0.50000000000000 0.89880144989213 15.999 > 19 32 O 0.33333333333333 0.50000000000000 0.89880144989213 15.999 > 19 33 O 0.66666666666667 0.50000000000000 0.89880144989213 15.999 > 19 34 O 0.00000000000000 0.83333333333333 0.89880144989213 15.999 > 19 35 O 0.33333333333333 0.83333333333333 0.89880144989213 15.999 > 19 36 O 0.66666666666667 0.83333333333333 0.89880144989213 15.999 > 19 37 O 0.16666666666667 0.00000000000000 0.35119855010787 15.999 > 37 38 O 0.50000000000000 0.00000000000000 0.35119855010787 15.999 > 37 39 O 0.83333333333333 0.00000000000000 0.35119855010787 15.999 > 37 40 O 0.16666666666667 0.33333333333333 0.35119855010787 15.999 > 37 41 O 0.50000000000000 0.33333333333333 0.35119855010787 15.999 > 37 42 O 0.83333333333333 0.33333333333333 0.35119855010787 15.999 > 37 43 O 0.16666666666667 0.66666666666667 0.35119855010787 15.999 > 37 44 O 0.50000000000000 0.66666666666667 0.35119855010787 15.999 > 37 45 O 0.83333333333333 0.66666666666667 0.35119855010787 15.999 > 37 46 O 0.16666666666667 0.00000000000000 0.85119855010787 15.999 > 37 47 O 0.50000000000000 0.00000000000000 0.85119855010787 15.999 > 37 48 O 0.83333333333333 0.00000000000000 0.85119855010787 15.999 > 37 49 O 0.16666666666667 0.33333333333333 0.85119855010787 15.999 > 37 50 O 0.50000000000000 0.33333333333333 0.85119855010787 15.999 > 37 51 O 0.83333333333333 0.33333333333333 0.85119855010787 15.999 > 37 52 O 0.16666666666667 0.66666666666667 0.85119855010787 15.999 > 37 53 O 0.50000000000000 0.66666666666667 0.85119855010787 15.999 > 37 54 O 0.83333333333333 0.66666666666667 0.85119855010787 15.999 > 37 55 O 0.16666666666667 0.00000000000000 0.10119855010787 15.999 > 55 56 O 0.50000000000000 0.00000000000000 0.10119855010787 15.999 > 55 57 O 0.83333333333333 0.00000000000000 0.10119855010787 15.999 > 55 58 O 0.16666666666667 0.33333333333333 0.10119855010787 15.999 > 55 59 O 0.50000000000000 0.33333333333333 0.10119855010787 15.999 > 55 60 O 0.83333333333333 0.33333333333333 0.10119855010787 15.999 > 55 61 O 0.16666666666667 0.66666666666667 0.10119855010787 15.999 > 55 62 O 0.50000000000000 0.66666666666667 0.10119855010787 15.999 > 55 63 O 0.83333333333333 0.66666666666667 0.10119855010787 15.999 > 55 64 O 0.16666666666667 0.00000000000000 0.60119855010787 15.999 > 55 65 O 0.50000000000000 0.00000000000000 0.60119855010787 15.999 > 55 66 O 0.83333333333333 0.00000000000000 0.60119855010787 15.999 > 55 67 O 0.16666666666667 0.33333333333333 0.60119855010787 15.999 > 55 68 O 0.50000000000000 0.33333333333333 0.60119855010787 15.999 > 55 69 O 0.83333333333333 0.33333333333333 0.60119855010787 15.999 > 55 70 O 0.16666666666667 0.66666666666667 0.60119855010787 15.999 > 55 71 O 0.50000000000000 0.66666666666667 0.60119855010787 15.999 > 55 72 O 0.83333333333333 0.66666666666667 0.60119855010787 15.999 > 55 73 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 > 73 74 Zr 0.33333333333333 0.00000000000000 0.00000000000000 91.224 > 73 75 Zr 0.66666666666667 0.00000000000000 0.00000000000000 91.224 > 73 76 Zr 0.00000000000000 0.33333333333333 0.00000000000000 91.224 > 73 77 Zr 0.33333333333333 0.33333333333333 0.00000000000000 91.224 > 73 78 Zr 0.66666666666667 0.33333333333333 0.00000000000000 91.224 > 73 79 Zr 0.00000000000000 0.66666666666667 0.00000000000000 91.224 > 73 80 Zr 0.33333333333333 0.66666666666667 0.00000000000000 91.224 > 73 81 Zr 0.66666666666667 0.66666666666667 0.00000000000000 91.224 > 73 82 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 > 73 83 Zr 0.33333333333333 0.00000000000000 0.50000000000000 91.224 > 73 84 Zr 0.66666666666667 0.00000000000000 0.50000000000000 91.224 > 73 85 Zr 0.00000000000000 0.33333333333333 0.50000000000000 91.224 > 73 86 Zr 0.33333333333333 0.33333333333333 0.50000000000000 91.224 > 73 87 Zr 0.66666666666667 0.33333333333333 0.50000000000000 91.224 > 73 88 Zr 0.00000000000000 0.66666666666667 0.50000000000000 91.224 > 73 89 Zr 0.33333333333333 0.66666666666667 0.50000000000000 91.224 > 73 90 Zr 0.66666666666667 0.66666666666667 0.50000000000000 91.224 > 73 91 Zr 0.16666666666667 0.16666666666667 0.25000000000000 91.224 > 91 92 Zr 0.50000000000000 0.16666666666667 0.25000000000000 91.224 > 91 93 Zr 0.83333333333333 0.16666666666667 0.25000000000000 91.224 > 91 94 Zr 0.16666666666667 0.50000000000000 0.25000000000000 91.224 > 91 95 Zr 0.50000000000000 0.50000000000000 0.25000000000000 91.224 > 91 96 Zr 0.83333333333333 0.50000000000000 0.25000000000000 91.224 > 91 97 Zr 0.16666666666667 0.83333333333333 0.25000000000000 91.224 > 91 98 Zr 0.50000000000000 0.83333333333333 0.25000000000000 91.224 > 91 99 Zr 0.83333333333333 0.83333333333333 0.25000000000000 91.224 > 91 100 Zr 0.16666666666667 0.16666666666667 0.75000000000000 91.224 > 91 101 Zr 0.50000000000000 0.16666666666667 0.75000000000000 91.224 > 91 102 Zr 0.83333333333333 0.16666666666667 0.75000000000000 91.224 > 91 103 Zr 0.16666666666667 0.50000000000000 0.75000000000000 91.224 > 91 104 Zr 0.50000000000000 0.50000000000000 0.75000000000000 91.224 > 91 105 Zr 0.83333333333333 0.50000000000000 0.75000000000000 91.224 > 91 106 Zr 0.16666666666667 0.83333333333333 0.75000000000000 91.224 > 91 107 Zr 0.50000000000000 0.83333333333333 0.75000000000000 91.224 > 91 108 Zr 0.83333333333333 0.83333333333333 0.75000000000000 91.224 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.7915844 0.0000000 0.0000000 0.0000000 5.7915844 0.0000000 0.0000000 0.0000000 5.1983267 -------------------------- Born effective charges -------------------------- 1 O -3.6266961 0.0000000 0.0000000 0.0000000 -2.1297828 0.0000000 0.0000000 0.0000000 -2.4921149 2 O -2.1297828 0.0000000 0.0000000 0.0000000 -3.6266961 0.0000000 0.0000000 0.0000000 -2.4921149 3 O -2.1297828 0.0000000 0.0000000 0.0000000 -3.6266961 0.0000000 0.0000000 0.0000000 -2.4921149 4 O -3.6266961 0.0000000 0.0000000 0.0000000 -2.1297828 0.0000000 0.0000000 0.0000000 -2.4921149 5 Zr 5.7564789 0.0000000 0.0000000 0.0000000 5.7564789 0.0000000 0.0000000 0.0000000 4.9842297 6 Zr 5.7564789 0.0000000 0.0000000 0.0000000 5.7564789 0.0000000 0.0000000 0.0000000 4.9842297 ---------------------------------------------------------------------------- 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 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 14 14 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.02, Number of G-points: 319, Lambda: 0.25 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/216) ======================= 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 3.43e-04 3.43e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.522 ( 0.000 0.000 -0.000) 0.000 3.522 ( -0.000 0.000 -0.000) 0.000 4.054 ( 0.000 0.000 0.000) 0.000 4.054 ( 0.000 0.000 0.000) 0.000 8.368 ( -0.000 0.000 0.000) 0.000 9.194 ( -0.000 0.000 -0.000) 0.000 9.861 ( 0.000 0.000 0.000) 0.000 13.108 ( 0.000 0.000 0.000) 0.000 13.108 ( 0.000 0.000 0.000) 0.000 13.197 ( 0.000 0.000 0.000) 0.000 13.197 ( 0.000 0.000 0.000) 0.000 17.579 ( 0.000 0.000 -0.000) 0.000 19.114 ( 0.000 0.000 -0.000) 0.000 19.114 ( -0.000 0.000 -0.000) 0.000 19.230 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/216) ======================= q-point: ( 0.07 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 3.43e-04 3.43e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( 25.399 0.000 0.000) 25.399 0.998 ( 45.540 0.000 0.000) 45.540 1.513 ( 74.079 0.000 0.000) 74.079 3.786 ( 26.400 0.000 0.000) 26.400 4.035 ( -1.904 0.000 0.000) 1.904 4.328 ( 25.697 0.000 0.000) 25.697 7.175 ( 3.477 0.000 0.000) 3.477 8.391 ( 2.322 0.000 0.000) 2.322 9.138 ( -5.473 0.000 0.000) 5.473 9.820 ( -3.931 0.000 0.000) 3.931 13.132 ( -6.508 0.000 0.000) 6.508 13.214 ( 10.542 0.000 0.000) 10.542 13.216 ( 1.718 0.000 0.000) 1.718 17.540 ( -3.857 0.000 0.000) 3.857 18.610 ( -29.742 0.000 0.000) 29.742 19.062 ( -5.199 0.000 0.000) 5.199 19.627 ( 19.272 0.000 0.000) 19.272 21.636 ( -4.595 0.000 0.000) 4.595 ======================= Grid point 2 (3/216) ======================= q-point: ( 0.14 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 3.43e-04 3.43e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 31.744 0.000 0.000) 31.744 1.766 ( 31.568 0.000 0.000) 31.568 2.910 ( 65.173 0.000 0.000) 65.173 3.980 ( -3.623 0.000 0.000) 3.623 4.545 ( 48.258 0.000 0.000) 48.258 4.979 ( 37.212 0.000 0.000) 37.212 7.283 ( 7.364 0.000 0.000) 7.364 8.453 ( 3.169 0.000 0.000) 3.169 9.002 ( -6.627 0.000 0.000) 6.627 9.715 ( -6.279 0.000 0.000) 6.279 12.938 ( -13.015 0.000 0.000) 13.015 13.251 ( 1.217 0.000 0.000) 1.217 13.521 ( 20.036 0.000 0.000) 20.036 17.430 ( -6.936 0.000 0.000) 6.936 18.002 ( -30.653 0.000 0.000) 30.653 18.907 ( -10.388 0.000 0.000) 10.388 19.943 ( 12.314 0.000 0.000) 12.314 21.501 ( -8.872 0.000 0.000) 8.872 ======================= Grid point 3 (4/216) ======================= q-point: ( 0.21 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 3.43e-04 3.43e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 34.612 0.000 0.000) 34.612 2.287 ( 21.675 0.000 0.000) 21.675 3.893 ( -5.025 0.000 0.000) 5.025 4.063 ( 49.505 0.000 0.000) 49.505 5.626 ( 58.340 0.000 0.000) 58.340 5.727 ( 36.366 0.000 0.000) 36.366 7.457 ( 9.548 0.000 0.000) 9.548 8.427 ( -8.074 0.000 0.000) 8.074 9.012 ( 11.364 0.000 0.000) 11.364 9.583 ( -6.677 0.000 0.000) 6.677 12.614 ( -19.528 0.000 0.000) 19.528 13.240 ( -3.020 0.000 0.000) 3.020 13.999 ( 27.583 0.000 0.000) 27.583 17.272 ( -8.726 0.000 0.000) 8.726 17.421 ( -26.854 0.000 0.000) 26.854 18.648 ( -15.538 0.000 0.000) 15.538 20.121 ( 5.791 0.000 0.000) 5.791 21.288 ( -12.356 0.000 0.000) 12.356 ======================= Grid point 4 (5/216) ======================= q-point: ( 0.29 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 3.43e-04 3.43e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 35.871 0.000 0.000) 35.871 2.658 ( 16.073 0.000 0.000) 16.073 3.782 ( -6.074 0.000 0.000) 6.074 4.842 ( 27.902 0.000 0.000) 27.902 6.382 ( 28.747 0.000 0.000) 28.747 6.810 ( 59.591 0.000 0.000) 59.591 7.639 ( 8.256 0.000 0.000) 8.256 8.192 ( -12.641 0.000 0.000) 12.641 9.449 ( 30.733 0.000 0.000) 30.733 9.452 ( -6.669 0.000 0.000) 6.669 12.160 ( -26.060 0.000 0.000) 26.060 13.105 ( -11.014 0.000 0.000) 11.014 14.602 ( 32.608 0.000 0.000) 32.608 16.964 ( -18.388 0.000 0.000) 18.388 17.092 ( -9.089 0.000 0.000) 9.089 18.289 ( -20.573 0.000 0.000) 20.573 20.186 ( 1.184 0.000 0.000) 1.184 21.018 ( -14.384 0.000 0.000) 14.384 ======================= Grid point 5 (6/216) ======================= 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 3.43e-04 3.43e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.940 ( 12.508 0.000 0.000) 12.508 3.101 ( 36.246 0.000 0.000) 36.246 3.653 ( -6.861 0.000 0.000) 6.861 5.149 ( 2.691 0.000 0.000) 2.691 6.864 ( 19.761 0.000 0.000) 19.761 7.727 ( -2.572 0.000 0.000) 2.572 7.971 ( 56.561 0.000 0.000) 56.561 8.065 ( 4.482 0.000 0.000) 4.482 9.301 ( -9.075 0.000 0.000) 9.075 10.164 ( 39.298 0.000 0.000) 39.298 11.576 ( -32.615 0.000 0.000) 32.615 12.792 ( -20.271 0.000 0.000) 20.271 15.280 ( 34.973 0.000 0.000) 34.973 16.700 ( -8.190 0.000 0.000) 8.190 16.918 ( -8.237 0.000 0.000) 8.237 17.831 ( -25.344 0.000 0.000) 25.344 20.189 ( -0.240 0.000 0.000) 0.240 20.729 ( -14.235 0.000 0.000) 14.235 ======================= Grid point 6 (7/216) ======================= q-point: ( 0.43 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 3.43e-04 3.43e-04 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.164 ( 10.121 0.000 0.000) 10.121 3.509 ( -7.597 0.000 0.000) 7.597 3.815 ( 35.033 0.000 0.000) 35.033 4.975 ( -18.631 0.000 0.000) 18.631 7.186 ( 13.192 0.000 0.000) 13.192 7.590 ( -8.518 0.000 0.000) 8.518 8.330 ( 18.578 0.000 0.000) 18.578 9.050 ( 51.527 0.000 0.000) 51.527 9.069 ( -14.609 0.000 0.000) 14.609 10.861 ( -39.152 0.000 0.000) 39.152 10.955 ( 38.977 0.000 0.000) 38.977 12.309 ( -27.989 0.000 0.000) 27.989 15.979 ( 34.927 0.000 0.000) 34.927 16.621 ( -0.376 0.000 0.000) 0.376 16.770 ( -6.553 0.000 0.000) 6.553 17.283 ( -29.596 0.000 0.000) 29.596 20.201 ( 1.989 0.000 0.000) 1.989 20.469 ( -11.486 0.000 0.000) 11.486 ======================= Grid point 7 (8/216) ======================= q-point: (-0.50 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 3.43e-04 3.43e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.349 ( -8.579 0.000 0.000) 8.579 3.349 ( 8.579 0.000 0.000) 8.579 4.473 ( -30.301 0.000 0.000) 30.301 4.473 ( 30.301 0.000 0.000) 30.301 7.410 ( -9.765 0.000 0.000) 9.765 7.410 ( 9.765 0.000 0.000) 9.765 8.723 ( -19.546 0.000 0.000) 19.546 8.723 ( 19.546 0.000 0.000) 19.546 10.017 ( -45.547 0.000 0.000) 45.547 10.017 ( 45.547 0.000 0.000) 45.547 11.687 ( -34.215 0.000 0.000) 34.215 11.687 ( 34.215 0.000 0.000) 34.215 16.658 ( -32.953 0.000 0.000) 32.953 16.658 ( 32.953 0.000 0.000) 32.953 16.662 ( -4.048 0.000 0.000) 4.048 16.662 ( 4.048 0.000 0.000) 4.048 20.285 ( -6.722 0.000 0.000) 6.722 20.285 ( 6.722 0.000 0.000) 6.722 ======================= Grid point 16 (9/216) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 19.227 19.227 0.000) 27.191 1.006 ( 24.231 24.231 0.000) 34.268 2.369 ( 57.215 57.215 0.000) 80.915 3.959 ( 19.406 19.406 0.000) 27.444 4.143 ( 4.057 4.057 0.000) 5.738 4.457 ( 18.184 18.184 0.000) 25.715 7.025 ( -5.615 -5.615 0.000) 7.942 8.417 ( 2.606 2.606 0.000) 3.686 9.084 ( -5.304 -5.304 0.000) 7.501 9.783 ( -3.600 -3.600 0.000) 5.091 13.137 ( -3.114 -3.114 0.000) 4.404 13.151 ( -3.072 -3.072 0.000) 4.345 13.283 ( 8.880 8.880 0.000) 12.559 17.556 ( -1.364 -1.364 0.000) 1.929 18.355 ( -21.917 -21.917 0.000) 30.996 19.015 ( -4.879 -4.879 0.000) 6.900 19.783 ( 12.275 12.275 0.000) 17.360 21.633 ( -2.313 -2.313 0.000) 3.271 ======================= Grid point 17 (10/216) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 29.065 12.523 0.000) 31.648 1.718 ( 37.113 -1.060 0.000) 37.128 3.420 ( 47.178 46.134 0.000) 65.986 4.130 ( -3.447 12.613 0.000) 13.075 4.612 ( 45.191 6.295 0.000) 45.628 5.029 ( 34.982 6.199 0.000) 35.527 7.035 ( 5.761 -19.490 0.000) 20.324 8.489 ( 3.828 4.038 0.000) 5.564 8.947 ( -6.967 -5.563 0.000) 8.915 9.687 ( -5.648 -2.638 0.000) 6.234 12.930 ( -14.381 -1.051 0.000) 14.419 13.158 ( -0.111 -9.220 0.000) 9.220 13.575 ( 19.905 6.804 0.000) 21.036 17.469 ( -6.742 1.829 0.000) 6.986 17.853 ( -26.729 -13.736 0.000) 30.052 18.866 ( -9.994 -4.146 0.000) 10.819 20.019 ( 10.278 6.787 0.000) 12.317 21.529 ( -7.856 1.487 0.000) 7.996 ======================= Grid point 18 (11/216) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 32.997 8.452 0.000) 34.062 2.328 ( 24.066 3.195 0.000) 24.277 4.036 ( -5.698 13.049 0.000) 14.238 4.290 ( 40.229 22.660 0.000) 46.172 5.626 ( 53.486 0.576 0.000) 53.489 5.742 ( 34.935 1.839 0.000) 34.983 7.222 ( 12.153 -22.111 0.000) 25.231 8.459 ( -9.219 3.263 0.000) 9.780 8.962 ( 12.422 -3.926 0.000) 13.028 9.571 ( -5.827 -1.153 0.000) 5.939 12.571 ( -21.676 -4.754 0.000) 22.191 13.119 ( -4.377 -11.682 0.000) 12.475 14.055 ( 27.819 6.490 0.000) 28.566 17.307 ( -9.167 2.208 0.000) 9.430 17.341 ( -23.785 -7.484 0.000) 24.935 18.618 ( -14.994 -3.189 0.000) 15.329 20.174 ( 5.269 4.927 0.000) 7.213 21.331 ( -11.717 3.634 0.000) 12.268 ======================= Grid point 19 (12/216) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 34.647 5.643 0.000) 35.103 2.716 ( 15.976 5.461 0.000) 16.883 3.910 ( -6.867 12.004 0.000) 13.829 4.956 ( 24.593 10.972 0.000) 26.930 6.372 ( 27.638 -0.937 0.000) 27.654 6.683 ( 52.132 -11.012 0.000) 53.282 7.480 ( 12.996 -16.797 0.000) 21.237 8.213 ( -12.460 1.519 0.000) 12.553 9.414 ( 31.265 -1.525 0.000) 31.302 9.457 ( -5.829 0.542 0.000) 5.854 12.068 ( -28.790 -9.819 0.000) 30.419 12.965 ( -11.438 -13.140 0.000) 17.421 14.662 ( 32.604 6.426 0.000) 33.231 16.937 ( -16.185 -2.526 0.000) 16.381 17.118 ( -9.550 1.653 0.000) 9.692 18.270 ( -19.865 -1.941 0.000) 19.960 20.235 ( 1.262 4.692 0.000) 4.859 21.073 ( -13.940 4.970 0.000) 14.799 ======================= Grid point 20 (13/216) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.994 ( 12.396 5.256 0.000) 13.464 3.131 ( 34.567 3.028 0.000) 34.700 3.769 ( -6.874 11.160 0.000) 13.107 5.213 ( 0.820 6.220 0.000) 6.274 6.834 ( 18.916 -2.977 0.000) 19.149 7.513 ( 14.154 -18.232 0.000) 23.081 7.867 ( 40.266 -13.177 0.000) 42.367 8.085 ( 3.334 1.366 0.000) 3.603 9.319 ( -8.642 1.755 0.000) 8.819 10.137 ( 39.434 -1.036 0.000) 39.448 11.428 ( -35.335 -15.277 0.000) 38.496 12.659 ( -19.182 -12.152 0.000) 22.707 15.334 ( 34.462 5.724 0.000) 34.935 16.705 ( -7.327 0.255 0.000) 7.331 16.937 ( -8.417 1.170 0.000) 8.498 17.828 ( -24.453 -0.379 0.000) 24.456 20.243 ( 0.060 5.149 0.000) 5.150 20.791 ( -13.972 5.806 0.000) 15.131 ======================= Grid point 21 (14/216) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.219 ( 10.387 5.317 0.000) 11.669 3.564 ( -4.260 4.418 0.000) 6.138 3.877 ( 30.433 6.958 0.000) 31.218 5.015 ( -19.328 3.923 0.000) 19.722 7.142 ( 12.501 -4.491 0.000) 13.283 7.503 ( -6.250 -8.691 0.000) 10.705 8.332 ( 18.807 -0.467 0.000) 18.813 8.838 ( 49.815 -20.720 0.000) 53.953 9.089 ( -14.811 1.771 0.000) 14.917 10.666 ( -41.073 -19.651 0.000) 45.532 10.920 ( 38.069 -2.220 0.000) 38.134 12.207 ( -26.022 -8.950 0.000) 27.518 16.017 ( 33.750 4.077 0.000) 33.995 16.630 ( -0.709 0.721 0.000) 1.011 16.790 ( -6.137 1.324 0.000) 6.278 17.301 ( -28.320 1.594 0.000) 28.365 20.261 ( 2.276 5.765 0.000) 6.198 20.534 ( -11.417 6.207 0.000) 12.995 ======================= Grid point 22 (15/216) ======================= q-point: (-0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.411 ( -8.932 5.822 0.000) 10.662 3.411 ( 8.932 5.822 0.000) 10.662 4.508 ( -30.016 3.699 0.000) 30.243 4.508 ( 30.016 3.699 0.000) 30.243 7.351 ( -8.875 -5.973 0.000) 10.698 7.351 ( 8.875 -5.973 0.000) 10.698 8.735 ( -20.110 0.670 0.000) 20.121 8.735 ( 20.110 0.670 0.000) 20.121 9.797 ( -46.084 -21.771 0.000) 50.968 9.797 ( 46.084 -21.771 0.000) 50.968 11.625 ( -32.420 -5.137 0.000) 32.825 11.625 ( 32.420 -5.137 0.000) 32.825 16.606 ( -13.077 -0.826 0.000) 13.103 16.606 ( 13.077 -0.826 0.000) 13.103 16.758 ( -15.091 4.722 0.000) 15.812 16.758 ( 15.091 4.722 0.000) 15.812 20.350 ( -6.853 6.179 0.000) 9.227 20.350 ( 6.853 6.179 0.000) 9.227 ======================= Grid point 32 (16/216) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 342 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 22.745 22.745 0.000) 32.166 1.910 ( 21.077 21.077 0.000) 29.807 4.332 ( 4.891 4.891 0.000) 6.917 4.440 ( 44.836 44.836 0.000) 63.408 4.830 ( 21.966 21.966 0.000) 31.064 5.300 ( 21.806 21.806 0.000) 30.838 6.717 ( -9.554 -9.554 0.000) 13.511 8.626 ( 9.247 9.247 0.000) 13.077 8.784 ( -9.840 -9.840 0.000) 13.916 9.620 ( -3.829 -3.829 0.000) 5.415 12.833 ( -14.887 -14.887 0.000) 21.053 12.936 ( -7.110 -7.110 0.000) 10.055 13.826 ( 18.367 18.367 0.000) 25.975 17.445 ( -4.448 -4.448 0.000) 6.290 17.516 ( -18.683 -18.683 0.000) 26.422 18.738 ( -8.774 -8.774 0.000) 12.409 20.170 ( 7.474 7.474 0.000) 10.571 21.514 ( -3.424 -3.424 0.000) 4.842 ======================= Grid point 33 (17/216) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 28.310 16.374 0.000) 32.704 2.422 ( 26.122 7.918 0.000) 27.296 4.326 ( -4.143 13.623 0.000) 14.239 4.912 ( 16.731 37.180 0.000) 40.771 5.663 ( 45.911 2.881 0.000) 46.001 5.825 ( 28.256 7.229 0.000) 29.166 6.696 ( 7.397 -26.883 0.000) 27.882 8.494 ( -15.104 -3.244 0.000) 15.448 8.954 ( 20.832 7.064 0.000) 21.997 9.546 ( -3.483 -1.144 0.000) 3.666 12.376 ( -28.452 -17.052 0.000) 33.170 12.827 ( -6.526 -15.140 0.000) 16.486 14.285 ( 27.032 16.722 0.000) 31.786 17.155 ( -16.757 -10.366 0.000) 19.704 17.308 ( -8.801 -2.798 0.000) 9.235 18.517 ( -13.370 -6.932 0.000) 15.060 20.293 ( 4.647 6.406 0.000) 7.914 21.392 ( -8.582 1.605 0.000) 8.731 ======================= Grid point 34 (18/216) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 30.864 11.036 0.000) 32.778 2.856 ( 17.123 8.259 0.000) 19.011 4.206 ( -7.264 16.219 0.000) 17.772 5.249 ( 14.728 17.613 0.000) 22.960 6.351 ( 23.481 -1.044 0.000) 23.504 6.461 ( 35.660 -9.506 0.000) 36.905 6.976 ( 18.651 -32.167 0.000) 37.182 8.199 ( -12.872 -4.383 0.000) 13.598 9.477 ( -3.860 1.462 0.000) 4.127 9.494 ( 32.906 11.494 0.000) 34.856 11.727 ( -36.339 -25.586 0.000) 44.443 12.654 ( -10.986 -15.826 0.000) 19.265 14.874 ( 31.453 14.888 0.000) 34.799 16.870 ( -11.530 -4.080 0.000) 12.231 17.117 ( -9.874 -2.413 0.000) 10.164 18.206 ( -17.828 -4.554 0.000) 18.400 20.355 ( 1.775 6.789 0.000) 7.017 21.185 ( -11.881 5.410 0.000) 13.055 ======================= Grid point 35 (19/216) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( 11.964 8.490 0.000) 14.670 3.221 ( 30.042 5.949 0.000) 30.625 4.061 ( -6.310 17.088 0.000) 18.216 5.380 ( -3.231 10.023 0.000) 10.531 6.745 ( 16.199 -5.931 0.000) 17.251 7.101 ( 22.107 -21.491 0.000) 30.831 7.410 ( 29.791 -31.731 0.000) 43.524 8.071 ( 2.658 -3.960 0.000) 4.770 9.363 ( -8.401 2.250 0.000) 8.697 10.214 ( 37.816 10.593 0.000) 39.272 10.947 ( -41.548 -33.182 0.000) 53.173 12.388 ( -15.685 -12.950 0.000) 20.340 15.515 ( 32.410 12.303 0.000) 34.667 16.700 ( -5.707 -1.090 0.000) 5.810 16.930 ( -8.529 -2.435 0.000) 8.870 17.809 ( -22.009 -1.685 0.000) 22.073 20.378 ( 0.979 7.877 0.000) 7.938 20.935 ( -12.767 7.898 0.000) 15.012 ======================= Grid point 36 (20/216) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.356 ( 10.450 7.859 0.000) 13.075 3.644 ( 4.795 3.448 0.000) 5.906 4.107 ( 18.223 15.497 0.000) 23.922 5.130 ( -20.453 7.591 0.000) 21.816 7.007 ( 10.523 -8.921 0.000) 13.796 7.257 ( -0.882 -15.397 0.000) 15.422 8.146 ( 34.819 -30.839 0.000) 46.512 8.381 ( 30.568 -12.402 0.000) 32.988 9.114 ( -16.966 -0.377 0.000) 16.970 10.089 ( -44.275 -37.410 0.000) 57.964 10.942 ( 34.185 6.195 0.000) 34.742 12.027 ( -20.704 -7.137 0.000) 21.900 16.147 ( 30.561 8.777 0.000) 31.796 16.635 ( -1.110 -0.729 0.000) 1.328 16.789 ( -5.283 -2.027 0.000) 5.658 17.335 ( -25.439 1.579 0.000) 25.488 20.413 ( 3.042 8.981 0.000) 9.483 20.694 ( -10.963 9.234 0.000) 14.334 ======================= Grid point 37 (21/216) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.551 ( -8.765 7.384 0.000) 11.460 3.551 ( 8.765 7.384 0.000) 11.460 4.630 ( -28.220 8.603 0.000) 29.502 4.630 ( 28.220 8.603 0.000) 29.502 7.175 ( -6.457 -11.443 0.000) 13.140 7.175 ( 6.457 -11.443 0.000) 13.140 8.698 ( -24.138 -7.392 0.000) 25.244 8.698 ( 24.138 -7.392 0.000) 25.244 9.196 ( -44.909 -35.536 0.000) 57.268 9.196 ( 44.909 -35.536 0.000) 57.268 11.554 ( -27.126 -0.135 0.000) 27.127 11.554 ( 27.126 -0.135 0.000) 27.127 16.612 ( -6.329 0.483 0.000) 6.348 16.612 ( 6.329 0.483 0.000) 6.348 16.835 ( -19.643 3.241 0.000) 19.908 16.835 ( 19.643 3.241 0.000) 19.908 20.512 ( -7.090 9.545 0.000) 11.890 20.512 ( 7.090 9.545 0.000) 11.890 ======================= Grid point 48 (22/216) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 21.987 21.987 0.000) 31.094 2.685 ( 17.748 17.748 0.000) 25.099 4.506 ( 3.854 3.854 0.000) 5.450 5.594 ( 15.559 15.559 0.000) 22.003 5.758 ( 18.886 18.886 0.000) 26.709 6.043 ( 14.070 14.070 0.000) 19.898 6.305 ( -9.361 -9.361 0.000) 13.238 8.302 ( -13.862 -13.862 0.000) 19.604 9.288 ( 24.795 24.795 0.000) 35.065 9.530 ( -0.537 -0.537 0.000) 0.759 11.844 ( -35.139 -35.139 0.000) 49.694 12.582 ( -10.061 -10.061 0.000) 14.228 14.704 ( 24.682 24.682 0.000) 34.905 16.951 ( -9.727 -9.727 0.000) 13.755 17.197 ( -7.873 -7.873 0.000) 11.134 18.341 ( -10.829 -10.829 0.000) 15.315 20.409 ( 4.973 4.973 0.000) 7.033 21.375 ( -3.429 -3.429 0.000) 4.849 ======================= Grid point 49 (23/216) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( 25.049 15.478 0.000) 29.445 3.049 ( 16.721 11.540 0.000) 20.316 4.498 ( -3.679 11.949 0.000) 12.503 5.614 ( 0.017 17.187 0.000) 17.187 6.305 ( 11.205 -28.835 0.000) 30.935 6.341 ( 14.820 0.425 0.000) 14.826 6.343 ( 23.925 -5.102 0.000) 24.463 8.025 ( -11.885 -12.123 0.000) 16.976 9.506 ( -2.629 1.010 0.000) 2.817 9.883 ( 33.648 26.448 0.000) 42.798 11.043 ( -44.015 -42.000 0.000) 60.839 12.392 ( -9.371 -10.089 0.000) 13.770 15.238 ( 28.281 21.086 0.000) 35.276 16.776 ( -7.688 -5.346 0.000) 9.365 17.017 ( -9.670 -7.373 0.000) 12.160 18.086 ( -14.683 -7.540 0.000) 16.506 20.487 ( 2.969 6.185 0.000) 6.861 21.260 ( -7.912 1.662 0.000) 8.085 ======================= Grid point 50 (24/216) ======================= q-point: ( 0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.318 ( 10.830 9.752 0.000) 14.573 3.369 ( 23.837 8.972 0.000) 25.469 4.406 ( -4.013 16.557 0.000) 17.036 5.582 ( -6.722 8.857 0.000) 11.119 6.606 ( 11.492 -7.643 0.000) 13.801 6.627 ( 24.150 -33.070 0.000) 40.949 6.774 ( 16.863 -20.981 0.000) 26.918 7.918 ( 3.241 -10.655 0.000) 11.137 9.380 ( -11.442 -1.620 0.000) 11.556 10.133 ( -46.169 -47.061 0.000) 65.926 10.572 ( 34.199 24.377 0.000) 41.998 12.202 ( -9.877 -4.909 0.000) 11.029 15.807 ( 28.386 16.525 0.000) 32.846 16.650 ( -4.902 -4.038 0.000) 6.351 16.832 ( -8.387 -7.230 0.000) 11.073 17.757 ( -18.359 -3.638 0.000) 18.716 20.537 ( 2.345 7.700 0.000) 8.049 21.075 ( -10.186 5.574 0.000) 11.611 ======================= Grid point 51 (25/216) ======================= q-point: ( 0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.514 ( 9.386 7.826 0.000) 12.221 3.717 ( 7.507 4.300 0.000) 8.651 4.447 ( 11.572 17.425 0.000) 20.917 5.302 ( -20.292 8.832 0.000) 22.131 6.797 ( 7.747 -11.717 0.000) 14.046 6.924 ( 3.500 -17.231 0.000) 17.582 7.315 ( 38.411 -46.055 0.000) 59.971 8.184 ( 22.146 -11.229 0.000) 24.830 8.962 ( -33.829 -24.428 0.000) 41.727 9.295 ( -34.189 -32.000 0.000) 46.828 11.199 ( 27.999 19.285 0.000) 33.998 11.984 ( -12.676 3.534 0.000) 13.160 16.349 ( 25.051 10.872 0.000) 27.309 16.584 ( -1.662 -4.587 0.000) 4.879 16.702 ( -3.745 -6.449 0.000) 7.458 17.358 ( -21.540 0.720 0.000) 21.552 20.596 ( 3.928 8.851 0.000) 9.683 20.873 ( -9.698 8.037 0.000) 12.595 ======================= Grid point 52 (26/216) ======================= q-point: (-0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.687 ( -7.103 6.220 0.000) 9.442 3.687 ( 7.103 6.220 0.000) 9.442 4.840 ( -24.158 11.827 0.000) 26.898 4.840 ( 24.158 11.827 0.000) 26.898 6.913 ( -3.651 -14.317 0.000) 14.775 6.913 ( 3.651 -14.317 0.000) 14.775 8.143 ( -43.450 -46.551 0.000) 63.678 8.143 ( 43.450 -46.551 0.000) 63.678 8.707 ( -28.228 -13.808 0.000) 31.424 8.707 ( 28.228 -13.808 0.000) 31.424 11.671 ( -19.354 12.157 0.000) 22.855 11.671 ( 19.354 12.157 0.000) 22.855 16.578 ( -0.323 -4.603 0.000) 4.614 16.578 ( 0.323 -4.603 0.000) 4.614 16.909 ( -22.778 4.541 0.000) 23.226 16.909 ( 22.778 4.541 0.000) 23.226 20.704 ( -7.020 9.078 0.000) 11.476 20.704 ( 7.020 9.078 0.000) 11.476 ======================= Grid point 64 (27/216) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 342 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.211 ( 18.358 18.358 0.000) 25.962 3.306 ( 13.203 13.203 0.000) 18.672 4.658 ( 4.053 4.053 0.000) 5.731 5.694 ( -11.779 -11.779 0.000) 16.657 6.015 ( 4.953 4.953 0.000) 7.004 6.356 ( 4.679 4.679 0.000) 6.616 6.377 ( 3.187 3.187 0.000) 4.508 7.782 ( -10.265 -10.265 0.000) 14.516 9.484 ( -4.350 -4.350 0.000) 6.151 10.113 ( -49.984 -49.984 0.000) 70.688 10.487 ( 32.668 32.668 0.000) 46.199 12.249 ( -4.457 -4.457 0.000) 6.304 15.687 ( 23.398 23.398 0.000) 33.090 16.660 ( -6.192 -6.192 0.000) 8.757 16.842 ( -9.551 -9.551 0.000) 13.507 17.905 ( -10.669 -10.669 0.000) 15.089 20.594 ( 4.553 4.553 0.000) 6.439 21.244 ( -3.183 -3.183 0.000) 4.501 ======================= Grid point 65 (28/216) ======================= q-point: ( 0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.525 ( 8.408 10.937 0.000) 13.795 3.576 ( 17.201 11.617 0.000) 20.756 4.687 ( 0.358 10.998 0.000) 11.004 5.578 ( -1.170 -14.937 0.000) 14.983 6.087 ( 4.451 -11.361 0.000) 12.202 6.463 ( 5.182 -6.006 0.000) 7.932 6.512 ( 8.832 -7.881 0.000) 11.837 7.700 ( 3.718 -9.480 0.000) 10.183 9.072 ( -50.436 -48.234 0.000) 69.788 9.324 ( -15.339 -14.432 0.000) 21.061 11.128 ( 30.549 29.958 0.000) 42.787 12.200 ( -1.229 4.218 0.000) 4.393 16.150 ( 22.595 17.344 0.000) 28.484 16.540 ( -5.507 -6.751 0.000) 8.712 16.659 ( -8.272 -9.603 0.000) 12.675 17.661 ( -13.779 -6.001 0.000) 15.030 20.674 ( 3.661 5.943 0.000) 6.980 21.143 ( -6.629 1.082 0.000) 6.716 ======================= Grid point 66 (29/216) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.670 ( 7.054 8.040 0.000) 10.696 3.824 ( 5.772 6.521 0.000) 8.708 4.759 ( 9.079 12.936 0.000) 15.804 5.422 ( -15.471 0.572 0.000) 15.482 6.408 ( 27.254 -37.207 0.000) 46.121 6.567 ( 4.791 -10.583 0.000) 11.617 6.647 ( 5.080 -13.704 0.000) 14.615 7.947 ( 20.082 -11.422 0.000) 23.103 8.068 ( -48.904 -52.419 0.000) 71.689 8.943 ( -23.248 -14.455 0.000) 27.375 11.664 ( 22.486 25.841 0.000) 34.255 12.160 ( -3.836 13.194 0.000) 13.741 16.454 ( -2.841 -8.178 0.000) 8.657 16.479 ( -0.243 -5.007 0.000) 5.013 16.628 ( 15.995 6.291 0.000) 17.188 17.359 ( -16.557 -0.823 0.000) 16.578 20.751 ( 4.402 6.580 0.000) 7.917 20.997 ( -7.545 4.241 0.000) 8.655 ======================= Grid point 67 (30/216) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.807 ( -5.628 6.089 0.000) 8.292 3.807 ( 5.628 6.089 0.000) 8.292 5.056 ( -18.897 8.415 0.000) 20.686 5.056 ( 18.897 8.415 0.000) 20.686 6.635 ( -1.369 -12.802 0.000) 12.875 6.635 ( 1.369 -12.802 0.000) 12.875 7.157 ( -41.614 -48.909 0.000) 64.217 7.157 ( 41.614 -48.909 0.000) 64.217 8.432 ( -26.718 -14.168 0.000) 30.242 8.432 ( 26.718 -14.168 0.000) 30.242 12.008 ( -12.125 20.381 0.000) 23.715 12.008 ( 12.125 20.381 0.000) 23.715 16.435 ( -1.008 -9.177 0.000) 9.232 16.435 ( 1.008 -9.177 0.000) 9.232 17.006 ( -18.806 4.710 0.000) 19.387 17.006 ( 18.806 4.710 0.000) 19.387 20.857 ( -6.266 6.075 0.000) 8.727 20.857 ( 6.266 6.075 0.000) 8.727 ======================= Grid point 80 (31/216) ======================= 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 3.43e-04 3.43e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.724 ( 7.850 7.850 0.000) 11.102 3.812 ( 11.091 11.091 0.000) 15.685 4.838 ( 4.738 4.738 0.000) 6.701 5.248 ( -9.738 -9.738 0.000) 13.771 5.985 ( -5.275 -5.275 0.000) 7.460 6.390 ( -1.031 -1.031 0.000) 1.458 6.448 ( 0.695 0.695 0.000) 0.982 7.607 ( 1.416 1.416 0.000) 2.002 8.029 ( -52.230 -52.230 0.000) 73.865 9.034 ( -17.578 -17.578 0.000) 24.859 11.709 ( 27.186 27.186 0.000) 38.446 12.332 ( 7.757 7.757 0.000) 10.970 16.397 ( -7.093 -7.093 0.000) 10.032 16.426 ( -0.980 -0.980 0.000) 1.386 16.530 ( 8.291 8.291 0.000) 11.726 17.516 ( -8.572 -8.572 0.000) 12.123 20.775 ( 4.373 4.373 0.000) 6.185 21.122 ( -2.901 -2.901 0.000) 4.102 ======================= Grid point 81 (32/216) ======================= q-point: ( 0.43 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 3.43e-04 3.43e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.834 ( 4.472 8.017 0.000) 9.180 3.964 ( 2.964 6.886 0.000) 7.496 4.934 ( 6.704 4.548 0.000) 8.101 5.218 ( 1.344 -18.418 0.000) 18.467 5.912 ( 3.080 -13.060 0.000) 13.419 6.411 ( 2.339 -4.418 0.000) 4.999 6.478 ( 1.036 -3.826 0.000) 3.964 7.049 ( -45.076 -48.109 0.000) 65.927 7.776 ( 15.108 -4.778 0.000) 15.845 8.628 ( -22.648 -16.900 0.000) 28.259 12.171 ( 18.377 23.779 0.000) 30.052 12.454 ( 3.217 14.763 0.000) 15.109 16.279 ( -4.301 -8.783 0.000) 9.780 16.302 ( -5.512 -9.556 0.000) 11.032 16.813 ( 14.508 9.515 0.000) 17.350 17.322 ( -10.903 -2.922 0.000) 11.288 20.857 ( 4.067 4.117 0.000) 5.787 21.041 ( -4.815 0.354 0.000) 4.828 ======================= Grid point 82 (33/216) ======================= q-point: (-0.50 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 3.43e-04 3.43e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.932 ( -4.753 6.254 0.000) 7.855 3.932 ( 4.753 6.254 0.000) 7.855 5.118 ( -10.017 -3.261 0.000) 10.534 5.118 ( 10.017 -3.261 0.000) 10.534 6.260 ( -29.467 -34.346 0.000) 45.254 6.260 ( 29.467 -34.346 0.000) 45.254 6.475 ( -0.383 -7.223 0.000) 7.233 6.475 ( 0.383 -7.223 0.000) 7.233 8.166 ( -22.684 -11.906 0.000) 25.618 8.166 ( 22.684 -11.906 0.000) 25.618 12.423 ( -6.871 19.854 0.000) 21.009 12.423 ( 6.871 19.854 0.000) 21.009 16.240 ( -0.557 -9.728 0.000) 9.744 16.240 ( 0.557 -9.728 0.000) 9.744 17.085 ( -12.813 3.140 0.000) 13.192 17.085 ( 12.813 3.140 0.000) 13.192 20.944 ( -4.724 2.759 0.000) 5.470 20.944 ( 4.724 2.759 0.000) 5.470 ======================= Grid point 96 (34/216) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 342 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.962 ( 4.489 4.489 0.000) 6.349 4.060 ( 1.746 1.746 0.000) 2.470 4.953 ( -4.952 -4.952 0.000) 7.003 4.969 ( 0.245 0.245 0.000) 0.346 5.728 ( -6.209 -6.209 0.000) 8.781 6.212 ( -34.355 -34.355 0.000) 48.585 6.390 ( 1.498 1.498 0.000) 2.118 6.453 ( -0.151 -0.151 0.000) 0.214 7.781 ( 5.450 5.450 0.000) 7.707 8.287 ( -16.862 -16.862 0.000) 23.846 12.566 ( 15.103 15.103 0.000) 21.359 12.694 ( 8.238 8.238 0.000) 11.650 16.130 ( -5.555 -5.555 0.000) 7.856 16.140 ( -6.098 -6.098 0.000) 8.624 16.987 ( 7.931 7.931 0.000) 11.216 17.243 ( -4.899 -4.899 0.000) 6.929 20.923 ( 2.801 2.801 0.000) 3.962 21.022 ( -1.933 -1.933 0.000) 2.734 ======================= Grid point 97 (35/216) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.034 ( -3.181 3.415 0.000) 4.667 4.034 ( 3.181 3.415 0.000) 4.667 4.960 ( -1.834 -9.477 0.000) 9.652 4.960 ( 1.834 -9.477 0.000) 9.652 5.745 ( -11.100 -16.345 0.000) 19.758 5.745 ( 11.100 -16.345 0.000) 19.758 6.434 ( -1.996 0.735 0.000) 2.127 6.434 ( 1.996 0.735 0.000) 2.127 7.978 ( -13.527 -6.642 0.000) 15.070 7.978 ( 13.527 -6.642 0.000) 15.070 12.750 ( -3.086 11.957 0.000) 12.349 12.750 ( 3.086 11.957 0.000) 12.349 16.075 ( -0.240 -6.203 0.000) 6.207 16.075 ( 0.240 -6.203 0.000) 6.207 17.130 ( -6.450 1.387 0.000) 6.597 17.130 ( 6.450 1.387 0.000) 6.597 20.976 ( -2.539 0.716 0.000) 2.638 20.976 ( 2.539 0.716 0.000) 2.638 ======================= Grid point 119 (36/216) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.064 ( 0.000 0.000 0.000) 0.000 4.064 ( 0.000 0.000 0.000) 0.000 4.855 ( 0.000 0.000 0.000) 0.000 4.855 ( 0.000 0.000 0.000) 0.000 5.585 ( 0.000 0.000 0.000) 0.000 5.585 ( 0.000 0.000 0.000) 0.000 6.449 ( 0.000 0.000 0.000) 0.000 6.449 ( 0.000 0.000 0.000) 0.000 7.910 ( 0.000 0.000 0.000) 0.000 7.910 ( 0.000 0.000 0.000) 0.000 12.872 ( 0.000 0.000 0.000) 0.000 12.872 ( 0.000 0.000 0.000) 0.000 16.011 ( 0.000 0.000 0.000) 0.000 16.011 ( 0.000 0.000 0.000) 0.000 17.143 ( 0.000 0.000 0.000) 0.000 17.143 ( 0.000 0.000 0.000) 0.000 20.981 ( 0.000 0.000 0.000) 0.000 20.981 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 225 (37/216) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 0.000 0.000 22.713) 22.713 0.449 ( -0.000 0.000 22.713) 22.713 1.450 ( 0.000 0.000 75.056) 75.056 3.469 ( 0.000 0.000 -5.110) 5.110 3.469 ( 0.000 0.000 -5.110) 5.110 4.089 ( 0.000 0.000 3.261) 3.261 4.089 ( -0.000 0.000 3.261) 3.261 8.806 ( 0.000 0.000 43.485) 43.485 9.092 ( -0.000 0.000 -10.638) 10.638 12.794 ( 0.000 0.000 -18.430) 18.430 12.794 ( 0.000 0.000 -18.430) 18.430 13.483 ( -0.000 0.000 15.606) 15.606 13.483 ( -0.000 -0.000 15.606) 15.606 17.454 ( -0.000 -0.000 -12.902) 12.902 19.111 ( 0.000 0.000 -0.276) 0.276 19.111 ( -0.000 0.000 -0.276) 0.276 19.119 ( 0.000 0.000 0.938) 0.938 19.234 ( -0.000 0.000 0.370) 0.370 ======================= Grid point 226 (38/216) ======================= q-point: ( 0.07 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 40.576 0.000 7.710) 41.302 1.375 ( 28.713 0.000 39.240) 48.623 1.680 ( 48.810 0.000 35.350) 60.266 3.729 ( 25.203 0.000 -5.084) 25.711 4.080 ( -0.210 0.000 3.818) 3.824 4.223 ( 25.425 0.000 -11.840) 28.047 5.560 ( 87.739 0.000 -70.287) 112.421 8.824 ( 1.085 0.000 41.651) 41.666 9.046 ( -3.624 0.000 -8.247) 9.008 11.514 ( -73.604 0.000 80.070) 108.760 12.815 ( 1.009 0.000 -18.449) 18.477 13.152 ( -0.108 0.000 -4.063) 4.064 13.503 ( 3.035 0.000 15.636) 15.928 17.422 ( -3.596 0.000 -12.329) 12.843 18.594 ( -30.682 0.000 -1.736) 30.731 19.059 ( -5.186 0.000 -0.263) 5.192 19.637 ( 19.670 0.000 0.948) 19.693 20.577 ( 55.332 0.000 -63.863) 84.499 ======================= Grid point 227 (39/216) ======================= q-point: ( 0.14 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 18.844 0.000 54.360) 57.534 1.790 ( 30.092 0.000 2.393) 30.187 2.952 ( 63.752 0.000 4.983) 63.946 3.991 ( -2.355 0.000 1.184) 2.636 4.530 ( 47.360 0.000 -1.457) 47.383 4.841 ( 35.204 0.000 -12.931) 37.504 6.695 ( 36.529 0.000 -39.938) 54.124 8.753 ( -9.682 0.000 12.906) 16.133 9.060 ( 7.225 0.000 21.955) 23.113 10.536 ( -31.916 0.000 62.583) 70.252 12.766 ( -7.225 0.000 -14.465) 16.170 13.198 ( 2.983 0.000 -5.098) 5.907 13.665 ( 14.263 0.000 11.681) 18.436 17.318 ( -6.758 0.000 -11.765) 13.568 17.963 ( -31.853 0.000 -4.036) 32.108 18.904 ( -10.361 0.000 -0.223) 10.363 19.959 ( 12.632 0.000 1.673) 12.743 21.089 ( 6.791 0.000 -35.915) 36.551 ======================= Grid point 228 (40/216) ======================= q-point: ( 0.21 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 26.010 0.000 42.380) 49.725 2.294 ( 21.273 0.000 0.709) 21.284 3.914 ( -4.871 0.000 2.114) 5.310 4.097 ( 49.911 0.000 3.256) 50.017 5.562 ( 35.955 0.000 -14.418) 38.738 5.606 ( 58.207 0.000 -2.024) 58.242 7.245 ( 21.045 0.000 -16.931) 27.010 8.498 ( -14.470 0.000 2.498) 14.684 9.316 ( 18.305 0.000 33.992) 38.607 10.058 ( -18.445 0.000 42.383) 46.223 12.520 ( -17.114 0.000 -9.028) 19.350 13.229 ( -0.707 0.000 -0.989) 1.215 14.065 ( 25.185 0.000 6.279) 25.956 17.154 ( -10.178 0.000 -11.773) 15.562 17.367 ( -26.386 0.000 -6.152) 27.094 18.647 ( -15.494 0.000 -0.153) 15.494 20.142 ( 5.886 0.000 2.114) 6.255 21.064 ( -6.856 0.000 -21.217) 22.297 ======================= Grid point 229 (41/216) ======================= q-point: ( 0.29 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( 16.083 0.000 0.395) 16.088 2.733 ( 30.102 0.000 31.565) 43.618 3.804 ( -6.071 0.000 2.241) 6.471 4.891 ( 28.734 0.000 4.033) 29.016 6.235 ( 31.012 0.000 -12.414) 33.404 6.787 ( 59.425 0.000 -2.325) 59.471 7.568 ( 11.335 0.000 -7.273) 13.467 8.234 ( -10.238 0.000 4.952) 11.372 9.745 ( -10.572 0.000 29.385) 31.229 9.794 ( 26.082 0.000 32.618) 41.763 12.098 ( -24.999 0.000 -6.099) 25.732 13.138 ( -9.101 0.000 3.453) 9.734 14.637 ( 31.556 0.000 3.377) 31.736 16.842 ( -17.688 0.000 -11.782) 21.252 17.029 ( -10.013 0.000 -7.492) 12.506 18.288 ( -20.508 0.000 -0.046) 20.508 20.205 ( 0.798 0.000 1.840) 2.006 20.870 ( -11.736 0.000 -14.447) 18.613 ======================= Grid point 230 (42/216) ======================= q-point: ( 0.36 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 12.680 0.000 0.606) 12.694 3.355 ( 31.973 0.000 22.873) 39.312 3.674 ( -6.954 0.000 2.146) 7.278 5.209 ( 3.116 0.000 4.551) 5.515 6.786 ( 24.108 0.000 -6.365) 24.934 7.668 ( -1.309 0.000 -5.125) 5.290 7.945 ( 56.393 0.000 -2.661) 56.456 8.183 ( 6.455 0.000 11.991) 13.618 9.490 ( -13.171 0.000 19.323) 23.385 10.441 ( 35.245 0.000 26.968) 44.379 11.529 ( -32.080 0.000 -4.640) 32.414 12.857 ( -18.983 0.000 6.626) 20.106 15.299 ( 34.438 0.000 1.926) 34.492 16.588 ( -7.496 0.000 -11.229) 13.501 16.852 ( -8.113 0.000 -7.332) 10.935 17.832 ( -25.252 0.000 0.108) 25.252 20.195 ( -1.193 0.000 0.461) 1.279 20.623 ( -12.466 0.000 -10.418) 16.246 ======================= Grid point 231 (43/216) ======================= q-point: ( 0.43 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( 10.352 0.000 1.018) 10.402 3.528 ( -7.772 0.000 1.877) 7.995 3.992 ( 31.600 0.000 15.657) 35.267 5.052 ( -17.260 0.000 5.801) 18.209 7.187 ( 16.052 0.000 0.579) 16.062 7.583 ( -6.000 0.000 0.348) 6.010 8.440 ( 17.537 0.000 11.532) 20.989 9.020 ( 51.358 0.000 -2.994) 51.445 9.197 ( -16.697 0.000 13.453) 21.442 10.823 ( -38.847 0.000 -3.847) 39.037 11.152 ( 35.223 0.000 19.467) 40.245 12.400 ( -26.417 0.000 9.230) 27.983 15.991 ( 34.620 0.000 1.129) 34.638 16.528 ( 0.710 0.000 -9.441) 9.468 16.704 ( -6.713 0.000 -7.050) 9.735 17.286 ( -29.465 0.000 0.327) 29.467 20.183 ( 0.679 0.000 -1.845) 1.966 20.395 ( -9.998 0.000 -7.308) 12.384 ======================= Grid point 232 (44/216) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.363 ( -8.805 0.000 1.477) 8.928 3.363 ( 8.805 0.000 1.477) 8.928 4.590 ( -27.684 0.000 9.728) 29.343 4.590 ( 27.684 0.000 9.728) 29.343 7.434 ( -9.374 0.000 3.098) 9.872 7.434 ( 9.374 0.000 3.098) 9.872 8.826 ( -20.001 0.000 10.969) 22.811 8.826 ( 20.001 0.000 10.969) 22.811 9.984 ( -45.343 0.000 -3.357) 45.467 9.984 ( 45.343 0.000 -3.357) 45.467 11.820 ( -31.548 0.000 13.260) 34.221 11.820 ( 31.548 0.000 13.260) 34.221 16.588 ( -4.781 0.000 -7.703) 9.066 16.588 ( 4.781 0.000 -7.703) 9.066 16.664 ( -32.759 0.000 0.645) 32.765 16.664 ( 32.759 0.000 0.645) 32.765 20.240 ( -5.310 0.000 -4.521) 6.974 20.240 ( 5.310 0.000 -4.521) 6.974 ======================= Grid point 241 (45/216) ======================= q-point: ( 0.07 0.07 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 525 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 21.450 21.450 7.141) 31.164 1.531 ( 8.944 8.944 60.061) 61.378 2.403 ( 53.731 53.731 5.570) 76.192 3.917 ( 19.235 19.235 -3.621) 27.443 4.190 ( 5.254 5.254 4.222) 8.546 4.345 ( 16.845 16.845 -11.092) 26.278 6.041 ( 34.505 34.505 -56.808) 74.889 8.853 ( 2.365 2.365 43.358) 43.487 8.992 ( -4.808 -4.808 -9.550) 11.723 10.987 ( -36.852 -36.852 76.956) 92.943 12.900 ( 3.867 3.867 -15.927) 16.840 13.065 ( -3.093 -3.093 -6.273) 7.647 13.504 ( 1.861 1.861 12.924) 13.189 17.429 ( -1.463 -1.463 -13.115) 13.277 18.347 ( -22.003 -22.003 -0.767) 31.127 19.012 ( -4.724 -4.724 -0.480) 6.697 19.794 ( 12.477 12.477 1.082) 17.678 20.933 ( 21.166 21.166 -53.157) 61.005 ======================= Grid point 242 (46/216) ======================= q-point: ( 0.14 0.07 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 33.084 -0.108 8.974) 34.279 1.804 ( 20.246 6.166 45.375) 50.068 3.418 ( 46.647 42.916 0.228) 63.386 4.147 ( -2.124 13.232 1.723) 13.512 4.613 ( 44.467 7.307 0.023) 45.063 4.879 ( 32.633 5.045 -13.061) 35.510 6.651 ( 26.331 -2.762 -28.166) 38.656 8.773 ( -11.066 1.417 6.839) 13.085 9.015 ( 8.487 -3.763 27.905) 29.409 10.376 ( -24.057 -13.561 56.499) 62.887 12.814 ( -10.842 3.364 -10.509) 15.469 13.104 ( 2.772 -8.894 -5.148) 10.644 13.659 ( 15.079 1.874 7.201) 16.815 17.348 ( -6.299 1.143 -12.635) 14.165 17.832 ( -27.805 -12.460 -2.150) 30.545 18.867 ( -9.892 -3.926 -0.135) 10.644 20.034 ( 10.488 6.723 1.530) 12.551 21.168 ( 3.090 6.028 -32.442) 33.142 ======================= Grid point 243 (47/216) ======================= q-point: ( 0.21 0.07 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 25.226 5.624 39.328) 47.060 2.336 ( 23.604 2.895 1.400) 23.822 4.065 ( -5.357 13.920 2.933) 15.201 4.293 ( 41.074 19.899 0.005) 45.641 5.558 ( 34.273 0.245 -14.781) 37.325 5.628 ( 53.801 2.010 -0.370) 53.840 7.115 ( 20.625 -11.913 -9.635) 25.694 8.507 ( -14.533 0.405 0.670) 14.554 9.275 ( 17.907 -3.111 35.022) 39.457 9.991 ( -15.483 -5.714 38.797) 42.161 12.504 ( -20.057 -2.456 -6.543) 21.239 13.109 ( -2.546 -11.787 -0.965) 12.097 14.085 ( 26.501 3.659 2.802) 26.899 17.193 ( -9.448 2.333 -11.651) 15.180 17.298 ( -24.208 -6.401 -4.607) 25.460 18.619 ( -14.941 -2.917 0.055) 15.223 20.192 ( 5.294 4.687 1.811) 7.299 21.117 ( -6.960 4.596 -20.478) 22.111 ======================= Grid point 244 (48/216) ======================= q-point: ( 0.29 0.07 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( 16.973 5.095 2.483) 17.894 2.778 ( 28.479 4.148 28.083) 40.211 3.943 ( -6.692 13.188 3.368) 15.168 4.983 ( 25.947 8.908 1.734) 27.488 6.209 ( 30.435 -2.600 -12.832) 33.131 6.687 ( 51.795 -8.571 -0.048) 52.499 7.468 ( 14.655 -10.436 -2.802) 18.208 8.245 ( -10.170 0.409 3.683) 10.824 9.675 ( 2.976 -6.312 27.535) 28.406 9.793 ( 14.042 1.162 31.509) 34.516 12.023 ( -28.037 -8.338 -4.437) 29.585 12.989 ( -9.824 -13.887 2.607) 17.209 14.676 ( 32.141 4.825 1.307) 32.527 16.861 ( -16.840 0.750 -7.697) 18.531 17.027 ( -9.061 -0.089 -9.531) 13.151 18.273 ( -19.799 -1.661 0.196) 19.869 20.251 ( 0.867 4.374 1.472) 4.696 20.927 ( -11.411 5.263 -14.225) 18.981 ======================= Grid point 245 (49/216) ======================= q-point: ( 0.36 0.07 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.003 ( 12.813 5.464 1.106) 13.974 3.374 ( 29.786 1.817 21.578) 36.826 3.808 ( -6.153 12.814 3.921) 14.746 5.263 ( 1.738 5.162 3.409) 6.425 6.751 ( 23.764 -3.533 -6.428) 24.870 7.490 ( 13.100 -15.617 -1.946) 20.477 7.866 ( 40.583 -9.469 -1.430) 41.698 8.184 ( 5.501 -0.688 10.797) 12.137 9.481 ( -12.143 -0.916 16.924) 20.850 10.405 ( 35.030 -2.070 26.200) 43.793 11.395 ( -34.891 -14.104 -3.330) 37.781 12.712 ( -17.852 -13.044 5.539) 22.793 15.342 ( 34.161 4.720 0.606) 34.490 16.623 ( -7.147 2.722 -8.137) 11.167 16.856 ( -7.958 0.135 -8.515) 11.656 17.833 ( -24.324 -0.068 0.409) 24.327 20.245 ( -0.840 4.875 0.156) 4.949 20.686 ( -12.236 5.966 -10.291) 17.065 ======================= Grid point 246 (50/216) ======================= q-point: ( 0.43 0.07 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.237 ( 10.819 5.995 1.864) 12.509 3.606 ( -6.914 6.827 3.890) 10.466 4.041 ( 29.573 5.417 14.631) 33.436 5.087 ( -17.733 3.548 5.455) 18.889 7.144 ( 15.556 -4.346 0.771) 16.170 7.507 ( -4.191 -7.642 1.130) 8.789 8.429 ( 17.549 -1.587 10.249) 20.384 8.821 ( 48.141 -19.441 -1.365) 51.937 9.202 ( -15.458 0.185 11.613) 19.335 10.640 ( -40.632 -18.449 -2.629) 44.702 11.107 ( 34.309 -3.317 18.549) 39.143 12.289 ( -24.380 -9.739 8.335) 27.544 16.017 ( 33.097 3.050 -0.327) 33.239 16.561 ( 0.256 2.563 -6.847) 7.316 16.715 ( -6.052 0.752 -7.845) 9.937 17.309 ( -28.051 2.043 0.801) 28.136 20.241 ( 1.042 5.619 -2.007) 6.057 20.461 ( -9.971 6.294 -7.248) 13.841 ======================= Grid point 247 (51/216) ======================= q-point: (-0.50 0.07 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.438 ( -9.362 6.923 2.670) 11.945 3.438 ( 9.362 6.923 2.670) 11.945 4.623 ( -27.463 3.438 9.543) 29.277 4.623 ( 27.463 3.438 9.543) 29.277 7.380 ( -8.650 -5.473 3.480) 10.811 7.380 ( 8.650 -5.473 3.480) 10.811 8.819 ( -20.138 -1.259 9.142) 22.151 8.819 ( 20.138 -1.259 9.142) 22.151 9.780 ( -45.495 -20.106 -1.794) 49.772 9.780 ( 45.495 -20.106 -1.794) 49.772 11.748 ( -29.816 -5.994 12.418) 32.850 11.748 ( 29.816 -5.994 12.418) 32.850 16.544 ( -10.015 -1.730 -6.951) 12.313 16.544 ( 10.015 -1.730 -6.951) 12.313 16.755 ( -22.240 5.932 0.246) 23.019 16.755 ( 22.240 5.932 0.246) 23.019 20.304 ( -5.503 6.167 -4.552) 9.436 20.304 ( 5.503 6.167 -4.552) 9.436 ======================= Grid point 257 (52/216) ======================= q-point: ( 0.14 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 525 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 19.786 19.786 0.199) 27.982 2.025 ( 15.507 15.507 44.248) 49.385 4.365 ( 5.784 5.784 3.314) 8.825 4.367 ( 41.307 41.307 -8.593) 59.046 4.849 ( 22.331 22.331 2.003) 31.645 5.128 ( 21.156 21.156 -11.642) 32.104 6.662 ( 5.031 5.031 -6.337) 9.528 8.717 ( -9.092 -9.092 -6.930) 14.607 9.019 ( 6.883 6.883 40.214) 41.375 10.096 ( -13.115 -13.115 43.357) 47.158 12.794 ( -12.739 -12.739 -3.928) 18.439 12.892 ( -6.049 -6.049 -4.346) 9.595 13.831 ( 16.056 16.056 0.320) 22.709 17.312 ( -4.991 -4.991 -13.336) 15.088 17.515 ( -17.959 -17.959 -0.458) 25.401 18.743 ( -8.574 -8.574 0.247) 12.128 20.185 ( 7.430 7.430 1.390) 10.599 21.250 ( 1.166 1.166 -24.887) 24.941 ======================= Grid point 258 (53/216) ======================= q-point: ( 0.21 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 24.019 10.206 18.227) 31.832 2.414 ( 23.715 7.885 14.168) 28.728 4.377 ( -3.119 14.826 5.137) 15.998 4.850 ( 17.837 33.101 -7.757) 38.393 5.564 ( 33.319 -0.390 -13.862) 36.090 5.720 ( 40.278 8.752 2.533) 41.296 6.856 ( 13.718 -11.445 8.654) 19.851 8.467 ( -14.366 -5.887 -3.570) 15.930 9.268 ( 17.319 4.480 33.402) 37.891 9.876 ( -8.649 -4.976 31.923) 33.446 12.353 ( -28.006 -15.439 -2.360) 32.066 12.813 ( -5.116 -15.059 -1.227) 15.951 14.270 ( 26.834 15.256 -1.735) 30.916 17.125 ( -15.026 -9.332 -4.772) 18.320 17.203 ( -10.669 -2.952 -9.021) 14.281 18.525 ( -13.275 -6.640 0.559) 14.853 20.306 ( 4.511 6.142 1.244) 7.722 21.205 ( -5.440 3.296 -18.130) 19.214 ======================= Grid point 259 (54/216) ======================= q-point: ( 0.29 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 17.767 6.489 -1.490) 18.974 2.891 ( 26.435 7.658 25.511) 37.527 4.274 ( -6.585 18.303 6.676) 20.566 5.221 ( 17.084 14.006 -4.150) 22.478 6.137 ( 26.762 -4.506 -12.104) 29.715 6.517 ( 36.767 -7.095 4.328) 37.694 7.164 ( 16.175 -18.539 11.252) 27.054 8.203 ( -10.550 -5.781 0.780) 12.056 9.577 ( 2.806 -2.324 17.580) 17.953 9.870 ( 18.040 7.827 31.168) 36.853 11.711 ( -36.001 -24.471 -1.640) 43.562 12.668 ( -9.618 -15.831 1.652) 18.597 14.859 ( 31.562 13.677 -1.763) 34.443 16.840 ( -12.077 -2.853 -3.011) 12.769 17.010 ( -9.313 -2.349 -10.952) 14.567 18.216 ( -17.740 -4.212 0.773) 18.249 20.363 ( 1.361 6.433 0.737) 6.617 21.050 ( -9.746 6.145 -13.307) 17.602 ======================= Grid point 260 (55/216) ======================= q-point: ( 0.36 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.140 ( 13.213 7.494 0.606) 15.202 3.427 ( 25.965 3.717 18.459) 32.074 4.142 ( -5.416 19.400 7.724) 21.572 5.400 ( -0.986 8.128 0.557) 8.206 6.637 ( 22.732 -8.248 -6.516) 25.044 7.136 ( 20.419 -18.213 3.507) 27.586 7.536 ( 26.536 -22.931 7.940) 35.958 8.118 ( 3.577 -6.768 6.273) 9.897 9.458 ( -10.323 -1.261 10.478) 14.763 10.447 ( 33.233 8.059 23.229) 41.339 10.939 ( -41.092 -32.007 -0.911) 52.094 12.429 ( -14.386 -13.126 4.371) 19.959 15.500 ( 32.258 11.123 -1.850) 34.172 16.661 ( -5.897 0.471 -3.718) 6.987 16.837 ( -7.825 -2.553 -9.625) 12.664 17.821 ( -21.806 -1.293 1.097) 21.872 20.374 ( 0.202 7.588 -0.445) 7.604 20.836 ( -11.162 8.321 -9.767) 17.007 ======================= Grid point 261 (56/216) ======================= q-point: ( 0.43 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.386 ( 11.674 8.155 3.092) 14.573 3.739 ( 0.001 5.550 8.792) 10.397 4.235 ( 19.792 14.086 11.512) 26.883 5.192 ( -18.411 6.801 4.533) 20.143 7.011 ( 14.473 -9.020 1.150) 17.092 7.291 ( -0.021 -13.410 3.815) 13.942 8.236 ( 34.141 -31.658 8.514) 47.332 8.380 ( 25.953 -10.798 1.015) 28.128 9.186 ( -16.790 -2.640 7.391) 18.534 10.093 ( -43.452 -35.756 0.205) 56.273 11.098 ( 31.006 4.361 15.912) 35.122 12.095 ( -19.213 -7.619 7.083) 21.849 16.119 ( 28.913 6.909 -3.550) 29.939 16.596 ( -1.215 0.408 -3.944) 4.147 16.714 ( -3.507 -1.213 -7.112) 8.021 17.353 ( -24.913 2.100 1.798) 25.066 20.391 ( 1.991 8.875 -2.279) 9.377 20.625 ( -9.634 9.497 -6.942) 15.205 ======================= Grid point 262 (57/216) ======================= q-point: (-0.50 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.604 ( -9.940 8.801 5.312) 14.300 3.604 ( 9.940 8.801 5.312) 14.300 4.734 ( -26.029 7.773 8.709) 28.527 4.734 ( 26.029 7.773 8.709) 28.527 7.219 ( -6.816 -10.463 4.763) 13.364 7.219 ( 6.816 -10.463 4.763) 13.364 8.721 ( -19.178 -11.828 3.490) 22.801 8.721 ( 19.178 -11.828 3.490) 22.801 9.233 ( -40.520 -31.475 3.051) 51.399 9.233 ( 40.520 -31.475 3.051) 51.399 11.657 ( -24.959 -1.189 10.645) 27.160 11.657 ( 24.959 -1.189 10.645) 27.160 16.525 ( -8.636 -0.932 -8.831) 12.386 16.525 ( 8.636 -0.932 -8.831) 12.386 16.864 ( -21.274 4.928 2.750) 22.010 16.864 ( 21.274 4.928 2.750) 22.010 20.468 ( -5.897 9.642 -4.494) 12.163 20.468 ( 5.897 9.642 -4.494) 12.163 ======================= Grid point 273 (58/216) ======================= q-point: ( 0.21 0.21 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 525 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 16.538 16.538 -4.575) 23.831 2.690 ( 16.958 16.958 25.377) 34.917 4.583 ( 5.385 5.385 7.690) 10.823 5.392 ( 10.901 10.901 -26.754) 30.877 5.627 ( 15.812 15.812 3.442) 22.626 6.011 ( 20.140 20.140 6.079) 29.124 6.736 ( -0.084 -0.084 23.334) 23.334 8.265 ( -13.218 -13.218 -3.824) 19.081 9.464 ( 12.268 12.268 20.138) 26.581 9.836 ( 3.396 3.396 29.637) 30.024 11.836 ( -34.820 -34.820 -0.801) 49.249 12.584 ( -8.900 -8.900 0.326) 12.590 14.673 ( 24.391 24.391 -3.347) 34.657 16.933 ( -9.484 -9.484 -2.593) 13.660 17.092 ( -7.732 -7.732 -9.893) 14.746 18.353 ( -10.653 -10.653 1.016) 15.100 20.417 ( 4.705 4.705 0.724) 6.692 21.224 ( -1.626 -1.626 -14.849) 15.026 ======================= Grid point 274 (59/216) ======================= q-point: ( 0.29 0.21 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( 16.525 9.343 -4.334) 19.472 3.081 ( 22.067 10.809 16.529) 29.614 4.608 ( -2.250 14.018 10.599) 17.717 5.479 ( 5.194 9.315 -12.910) 16.745 6.035 ( 19.201 -4.380 -3.566) 20.014 6.442 ( 20.868 0.048 9.488) 22.923 6.830 ( 8.647 -12.657 24.611) 28.994 8.007 ( -10.750 -12.869 -1.582) 16.843 9.559 ( -2.580 -0.815 7.583) 8.051 10.154 ( 26.548 20.938 26.370) 42.879 11.043 ( -43.483 -41.340 -0.050) 59.998 12.417 ( -8.243 -9.194 2.812) 12.664 15.205 ( 28.141 20.291 -3.782) 34.899 16.759 ( -7.731 -5.026 -2.171) 9.473 16.918 ( -9.227 -6.809 -9.536) 14.915 18.101 ( -14.542 -7.292 1.349) 16.324 20.489 ( 2.569 5.896 0.094) 6.432 21.143 ( -6.303 2.724 -11.577) 13.460 ======================= Grid point 275 (60/216) ======================= q-point: ( 0.36 0.21 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.280 ( 13.365 6.726 -2.395) 15.153 3.529 ( 21.637 6.361 13.056) 26.059 4.529 ( -4.148 18.380 11.426) 22.036 5.553 ( -1.962 5.759 -3.205) 6.877 6.407 ( 19.849 -14.896 -3.410) 25.050 6.814 ( 15.973 -13.417 9.525) 22.932 7.052 ( 13.791 -22.092 19.802) 32.716 7.914 ( 3.018 -12.907 0.576) 13.268 9.414 ( -12.340 -4.058 3.888) 13.560 10.148 ( -45.217 -45.851 1.327) 64.410 10.746 ( 30.578 21.268 17.936) 41.340 12.247 ( -9.035 -4.520 4.855) 11.209 15.766 ( 27.546 14.824 -4.784) 31.645 16.633 ( -4.853 -3.330 -2.464) 6.381 16.747 ( -7.303 -6.230 -7.674) 12.290 17.776 ( -18.101 -3.343 1.777) 18.493 20.529 ( 1.723 7.526 -0.903) 7.773 20.988 ( -8.819 6.266 -8.687) 13.875 ======================= Grid point 276 (61/216) ======================= q-point: ( 0.43 0.21 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.535 ( 12.367 6.448 2.529) 14.174 3.835 ( 5.382 4.575 10.449) 12.613 4.557 ( 10.534 16.709 9.836) 22.066 5.342 ( -17.793 7.563 3.156) 19.589 6.784 ( 15.174 -14.089 0.734) 20.719 7.004 ( 3.112 -14.547 8.225) 16.999 7.473 ( 29.482 -39.814 13.980) 51.476 8.145 ( 18.299 -15.006 -2.758) 23.825 9.017 ( -29.034 -21.146 5.288) 36.305 9.321 ( -34.481 -33.360 2.408) 48.038 11.315 ( 25.712 17.161 12.115) 33.202 12.044 ( -11.890 3.105 6.398) 13.854 16.259 ( 19.700 5.694 -9.253) 22.498 16.555 ( -3.791 -5.028 -6.774) 9.249 16.680 ( 3.571 -0.914 1.390) 3.940 17.385 ( -20.904 1.032 2.637) 21.095 20.573 ( 3.098 8.887 -2.341) 9.699 20.810 ( -8.545 8.507 -6.229) 13.572 ======================= Grid point 277 (62/216) ======================= q-point: (-0.50 0.21 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.761 ( -9.508 6.683 7.148) 13.645 3.761 ( 9.508 6.683 7.148) 13.645 4.922 ( -22.411 10.403 6.954) 25.668 4.922 ( 22.411 10.403 6.954) 25.668 6.980 ( -5.198 -12.968 6.957) 15.608 6.980 ( 5.198 -12.968 6.957) 15.608 8.143 ( -32.558 -43.781 1.095) 54.572 8.143 ( 32.559 -43.781 1.095) 54.572 8.766 ( -20.919 -15.951 5.380) 26.852 8.766 ( 20.919 -15.951 5.380) 26.852 11.751 ( -18.016 10.858 8.449) 22.668 11.751 ( 18.016 10.858 8.449) 22.668 16.473 ( -4.817 -4.836 -10.332) 12.383 16.473 ( 4.817 -4.836 -10.332) 12.383 16.960 ( -20.838 4.871 4.605) 21.889 16.960 ( 20.838 4.871 4.605) 21.889 20.663 ( -6.032 9.344 -4.135) 11.865 20.663 ( 6.032 9.344 -4.135) 11.865 ======================= Grid point 289 (63/216) ======================= q-point: ( 0.29 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 525 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( 12.697 12.697 -7.827) 19.588 3.319 ( 14.040 14.040 8.349) 21.540 4.810 ( 6.032 6.032 14.470) 16.798 5.520 ( -2.189 -2.189 -9.953) 10.424 6.053 ( 4.883 4.883 3.939) 7.950 6.502 ( 4.791 4.791 13.893) 15.457 6.694 ( -1.254 -1.254 24.601) 24.665 7.754 ( -10.689 -10.689 -2.783) 15.371 9.501 ( -5.988 -5.988 2.179) 8.744 10.130 ( -48.829 -48.829 1.624) 69.074 10.665 ( 28.855 28.855 18.565) 44.832 12.291 ( -3.801 -3.801 4.587) 7.067 15.636 ( 22.198 22.198 -5.763) 31.918 16.647 ( -5.987 -5.987 -2.915) 8.955 16.759 ( -8.429 -8.429 -6.633) 13.641 17.925 ( -10.477 -10.477 1.798) 14.925 20.590 ( 4.247 4.247 -0.468) 6.025 21.149 ( -2.021 -2.021 -9.393) 9.819 ======================= Grid point 290 (64/216) ======================= q-point: ( 0.36 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.439 ( 10.105 9.971 -5.707) 15.300 3.654 ( 17.742 5.564 3.833) 18.985 4.845 ( -1.605 13.041 14.820) 19.806 5.539 ( 2.875 -8.723 -0.662) 9.208 6.134 ( 4.573 -9.127 4.780) 11.273 6.608 ( 6.212 -7.320 14.334) 17.252 6.749 ( 5.024 -8.341 20.568) 22.756 7.654 ( 1.802 -11.796 -4.141) 12.631 9.122 ( -46.697 -44.144 4.741) 64.434 9.322 ( -16.668 -16.997 -0.135) 23.807 11.244 ( 27.990 27.376 12.334) 41.049 12.248 ( -1.205 4.084 5.268) 6.774 16.052 ( 18.288 12.586 -9.991) 24.345 16.524 ( -6.463 -7.651 -7.336) 12.415 16.628 ( -2.833 -3.978 2.315) 5.405 17.685 ( -13.512 -5.795 2.279) 14.877 20.663 ( 3.238 5.826 -1.165) 6.766 21.071 ( -5.534 1.924 -7.164) 9.255 ======================= Grid point 291 (65/216) ======================= q-point: ( 0.43 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.654 ( 11.551 6.143 0.062) 13.083 3.921 ( 6.205 3.657 6.564) 9.745 4.851 ( 5.558 11.926 8.796) 15.827 5.443 ( -13.557 0.777 2.681) 13.842 6.400 ( 21.755 -25.169 2.944) 33.398 6.732 ( 4.749 -12.477 13.866) 19.248 6.853 ( 6.692 -17.639 18.943) 26.735 7.751 ( -3.220 -27.446 -10.750) 29.651 8.293 ( -24.009 -35.348 14.053) 44.982 8.940 ( -22.516 -15.011 -0.335) 27.063 11.738 ( 20.885 23.910 8.050) 32.751 12.207 ( -3.861 12.311 5.119) 13.881 16.283 ( 4.524 -3.635 -13.373) 14.578 16.404 ( -5.049 -9.428 -9.508) 14.310 16.730 ( 13.294 6.086 8.008) 16.671 17.390 ( -16.017 -0.687 3.078) 16.324 20.730 ( 3.817 6.710 -2.150) 8.013 20.946 ( -6.604 4.844 -5.153) 9.677 ======================= Grid point 292 (66/216) ======================= q-point: (-0.50 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.873 ( -8.963 4.759 6.092) 11.837 3.873 ( 8.963 4.759 6.092) 11.837 5.104 ( -17.655 6.489 4.296) 19.294 5.104 ( 17.655 6.489 4.296) 19.294 6.727 ( -6.419 -12.149 9.160) 16.514 6.727 ( 6.419 -12.149 9.160) 16.514 7.220 ( -31.869 -44.893 6.746) 55.466 7.220 ( 31.869 -44.893 6.746) 55.466 8.463 ( -23.355 -14.916 3.063) 27.881 8.463 ( 23.355 -14.916 3.063) 27.881 12.061 ( -11.462 18.944 5.694) 22.862 12.061 ( 11.462 18.944 5.694) 22.862 16.332 ( -2.301 -8.908 -10.397) 13.883 16.332 ( 2.301 -8.908 -10.397) 13.883 17.055 ( -17.351 4.445 4.732) 18.526 17.055 ( 17.351 4.445 4.732) 18.526 20.822 ( -5.504 6.452 -3.476) 9.166 20.822 ( 5.504 6.452 -3.476) 9.166 ======================= Grid point 305 (67/216) ======================= q-point: ( 0.36 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 525 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.657 ( 9.337 9.337 -5.677) 14.373 3.766 ( 7.984 7.984 -5.100) 12.389 5.035 ( 4.434 4.434 18.818) 19.835 5.333 ( -6.295 -6.295 8.963) 12.633 6.006 ( -5.954 -5.954 2.245) 8.715 6.528 ( -0.593 -0.593 15.029) 15.053 6.676 ( -0.455 -0.455 20.045) 20.056 7.468 ( -8.916 -8.916 -10.359) 16.318 8.194 ( -40.429 -40.429 13.092) 58.655 9.019 ( -17.477 -17.477 -1.623) 24.769 11.781 ( 25.278 25.278 7.765) 36.582 12.372 ( 7.106 7.106 4.398) 10.969 16.194 ( 0.915 0.915 -14.698) 14.755 16.353 ( -8.587 -8.587 -9.775) 15.589 16.661 ( 7.942 7.942 9.452) 14.680 17.544 ( -8.347 -8.347 2.722) 12.114 20.761 ( 4.202 4.202 -1.422) 6.110 21.067 ( -2.061 -2.061 -5.483) 6.209 ======================= Grid point 306 (68/216) ======================= q-point: ( 0.43 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.795 ( 7.217 7.941 -2.734) 11.073 3.959 ( 6.825 -0.089 -2.539) 7.282 5.017 ( -0.551 5.097 9.583) 10.869 5.317 ( -2.898 -12.525 8.965) 15.673 5.963 ( 6.689 -15.574 5.338) 17.771 6.564 ( 3.094 -3.757 15.692) 16.430 6.676 ( -0.610 -3.439 18.592) 18.918 7.015 ( -34.527 -40.754 -2.470) 53.470 7.876 ( 7.319 -9.460 9.252) 15.121 8.623 ( -21.695 -16.628 -0.536) 27.339 12.211 ( 17.191 22.273 4.534) 28.499 12.481 ( 2.764 13.770 3.152) 14.394 16.160 ( -2.373 -7.394 -11.701) 14.043 16.208 ( -5.537 -9.544 -9.700) 14.691 16.881 ( 12.536 8.139 6.425) 16.269 17.355 ( -10.534 -2.816 3.323) 11.399 20.838 ( 3.749 4.222 -1.887) 5.953 21.002 ( -4.101 0.961 -3.930) 5.761 ======================= Grid point 307 (69/216) ======================= q-point: (-0.50 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.950 ( -6.557 2.772 1.211) 7.221 3.950 ( 6.557 2.772 1.211) 7.221 5.136 ( -11.189 -3.521 2.484) 11.990 5.136 ( 11.189 -3.521 2.484) 11.990 6.329 ( -27.059 -30.142 7.156) 41.133 6.329 ( 27.059 -30.142 7.156) 41.133 6.654 ( -2.631 -7.248 17.289) 18.931 6.654 ( 2.631 -7.248 17.289) 18.931 8.189 ( -20.693 -12.076 2.300) 24.069 8.189 ( 20.693 -12.076 2.300) 24.069 12.449 ( -6.559 18.625 2.953) 19.966 12.449 ( 6.559 18.625 2.953) 19.966 16.142 ( -1.060 -9.473 -10.012) 13.824 16.142 ( 1.060 -9.473 -10.012) 13.824 17.129 ( -12.060 2.923 4.364) 13.154 17.129 ( 12.060 2.923 4.364) 13.154 20.917 ( -4.205 3.128 -2.706) 5.899 20.917 ( 4.205 3.128 -2.706) 5.899 ======================= Grid point 321 (70/216) ======================= q-point: ( 0.43 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 525 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.939 ( 3.757 3.757 -2.532) 5.886 3.945 ( 1.378 1.378 -10.049) 10.236 5.064 ( -3.620 -3.620 9.048) 10.396 5.077 ( -5.672 -5.672 10.959) 13.581 5.764 ( -4.023 -4.023 4.877) 7.494 6.293 ( -29.570 -29.570 7.771) 42.534 6.562 ( 2.315 2.315 17.084) 17.395 6.649 ( -0.630 -0.630 18.762) 18.783 7.827 ( 3.819 3.819 4.596) 7.092 8.293 ( -16.194 -16.194 0.469) 22.906 12.582 ( 14.182 14.182 1.997) 20.156 12.705 ( 7.619 7.619 1.431) 10.870 16.029 ( -4.954 -4.954 -10.293) 12.451 16.048 ( -6.042 -6.042 -9.529) 12.799 17.037 ( 7.304 7.304 4.936) 11.448 17.279 ( -4.728 -4.728 3.607) 7.598 20.906 ( 2.761 2.761 -1.797) 4.298 20.994 ( -1.453 -1.453 -2.831) 3.498 ======================= Grid point 322 (71/216) ======================= q-point: (-0.50 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.970 ( -1.733 -0.821 -6.293) 6.579 3.970 ( 1.733 -0.821 -6.293) 6.579 5.016 ( -2.747 -6.091 5.823) 8.862 5.016 ( 2.747 -6.091 5.823) 8.862 5.859 ( -13.774 -15.589 11.188) 23.620 5.859 ( 13.774 -15.589 11.188) 23.620 6.619 ( -2.567 0.961 18.056) 18.263 6.619 ( 2.567 0.961 18.056) 18.263 7.999 ( -12.556 -6.698 2.129) 14.389 7.999 ( 12.556 -6.698 2.129) 14.389 12.755 ( -2.958 11.214 0.884) 11.631 12.755 ( 2.958 11.214 0.884) 11.631 15.982 ( -0.433 -6.017 -9.601) 11.339 15.982 ( 0.433 -6.017 -9.601) 11.339 17.170 ( -6.130 1.282 4.087) 7.479 17.170 ( 6.130 1.282 4.087) 7.479 20.955 ( -2.276 0.946 -2.087) 3.229 20.955 ( 2.276 0.946 -2.087) 3.229 ======================= Grid point 344 (72/216) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.951 ( 0.000 0.000 -9.927) 9.927 3.951 ( 0.000 0.000 -9.927) 9.927 4.954 ( 0.000 0.000 8.597) 8.597 4.954 ( 0.000 0.000 8.597) 8.597 5.705 ( 0.000 0.000 12.087) 12.087 5.705 ( 0.000 0.000 12.087) 12.087 6.636 ( 0.000 0.000 18.204) 18.204 6.636 ( 0.000 0.000 18.204) 18.204 7.931 ( 0.000 0.000 2.069) 2.069 7.931 ( 0.000 0.000 2.069) 2.069 12.870 ( 0.000 0.000 0.086) 0.086 12.870 ( 0.000 0.000 0.086) 0.086 15.920 ( 0.000 0.000 -9.405) 9.405 15.920 ( 0.000 0.000 -9.405) 9.405 17.183 ( 0.000 0.000 3.993) 3.993 17.183 ( 0.000 0.000 3.993) 3.993 20.963 ( 0.000 0.000 -1.848) 1.848 20.963 ( 0.000 0.000 -1.848) 1.848 ======================= Grid point 450 (73/216) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -0.000 0.000 20.265) 20.265 0.867 ( 0.000 0.000 20.265) 20.265 2.890 ( -0.000 0.000 73.575) 73.575 3.343 ( -0.000 0.000 -7.525) 7.525 3.343 ( -0.000 0.000 -7.525) 7.525 4.165 ( 0.000 0.000 4.228) 4.228 4.165 ( -0.000 0.000 4.228) 4.228 8.783 ( 0.000 0.000 -21.273) 21.273 9.937 ( 0.000 -0.000 70.285) 70.285 12.446 ( -0.000 0.000 -17.143) 17.143 12.446 ( -0.000 0.000 -17.143) 17.143 13.756 ( -0.000 0.000 12.478) 12.478 13.756 ( -0.000 -0.000 12.478) 12.478 17.077 ( 0.000 0.000 -26.270) 26.270 19.104 ( -0.000 -0.000 -0.446) 0.446 19.104 ( -0.000 0.000 -0.446) 0.446 19.144 ( 0.000 0.000 1.604) 1.604 19.243 ( 0.000 0.000 0.469) 0.469 ======================= Grid point 451 (74/216) ======================= q-point: ( 0.07 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 30.565 0.000 10.963) 32.471 1.642 ( 56.105 0.000 8.415) 56.733 2.865 ( 5.414 0.000 63.999) 64.227 3.614 ( 26.193 0.000 -6.351) 26.952 3.909 ( 31.481 0.000 -15.745) 35.199 4.160 ( 0.287 0.000 4.248) 4.257 4.895 ( 65.028 0.000 -10.204) 65.824 8.746 ( -3.843 0.000 -20.071) 20.435 9.957 ( 2.364 0.000 69.554) 69.594 12.322 ( -19.090 0.000 9.452) 21.302 12.467 ( 1.499 0.000 -17.139) 17.205 13.238 ( -28.056 0.000 15.414) 32.012 13.776 ( 2.574 0.000 12.493) 12.755 17.055 ( -2.704 0.000 -25.885) 26.026 18.543 ( -33.527 0.000 -3.413) 33.700 19.052 ( -5.151 0.000 -0.425) 5.169 19.656 ( 21.873 0.000 -0.325) 21.875 19.767 ( 41.037 0.000 -22.188) 46.651 ======================= Grid point 452 (75/216) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 26.394 0.000 3.631) 26.643 2.586 ( 30.017 0.000 23.497) 38.120 3.262 ( 39.703 0.000 35.176) 53.044 4.022 ( 1.617 0.000 1.906) 2.500 4.493 ( 44.374 0.000 -2.199) 44.429 4.556 ( 34.880 0.000 -14.368) 37.724 6.120 ( 52.157 0.000 -18.291) 55.271 8.629 ( -7.757 0.000 -15.346) 17.195 10.048 ( 7.303 0.000 66.517) 66.916 11.662 ( -37.828 0.000 50.052) 62.739 12.463 ( -3.238 0.000 -15.867) 16.194 13.078 ( 4.590 0.000 -6.335) 7.823 13.894 ( 10.323 0.000 11.270) 15.283 16.969 ( -5.802 0.000 -24.612) 25.286 17.846 ( -35.665 0.000 -8.023) 36.556 18.899 ( -10.289 0.000 -0.361) 10.296 20.002 ( 13.453 0.000 2.422) 13.669 20.392 ( 19.252 0.000 -31.568) 36.975 ======================= Grid point 453 (76/216) ======================= q-point: ( 0.21 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 20.296 0.000 1.093) 20.326 2.998 ( 17.877 0.000 36.929) 41.029 3.970 ( -4.526 0.000 3.532) 5.741 4.201 ( 46.369 0.000 9.181) 47.269 5.283 ( 37.322 0.000 -12.575) 39.383 5.553 ( 57.866 0.000 -3.296) 57.959 6.948 ( 31.633 0.000 -12.136) 33.881 8.461 ( -8.003 0.000 -5.762) 9.861 10.266 ( 14.800 0.000 60.587) 62.369 10.986 ( -29.690 0.000 49.683) 57.878 12.302 ( -13.166 0.000 -12.518) 18.167 13.206 ( 5.754 0.000 -1.209) 5.879 14.210 ( 21.283 0.000 7.982) 22.730 16.823 ( -9.364 0.000 -22.677) 24.534 17.172 ( -29.979 0.000 -13.833) 33.017 18.643 ( -15.379 0.000 -0.248) 15.381 20.195 ( 5.995 0.000 2.940) 6.678 20.580 ( 1.611 0.000 -25.757) 25.807 ======================= Grid point 454 (77/216) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( 16.152 0.000 0.693) 16.167 3.378 ( 20.551 0.000 30.407) 36.700 3.863 ( -6.091 0.000 3.658) 7.105 4.954 ( 27.131 0.000 2.032) 27.207 6.016 ( 35.888 0.000 -8.503) 36.882 6.726 ( 58.986 0.000 -3.783) 59.107 7.403 ( 14.758 0.000 -8.120) 16.845 8.372 ( 0.603 0.000 8.362) 8.384 10.461 ( -23.672 0.000 42.092) 48.292 10.637 ( 22.119 0.000 52.200) 56.693 11.943 ( -22.679 0.000 -9.398) 24.549 13.241 ( -3.432 0.000 7.429) 8.183 14.721 ( 29.263 0.000 4.910) 29.672 16.531 ( -17.860 0.000 -20.108) 26.895 16.777 ( -10.429 0.000 -18.952) 21.632 18.287 ( -20.341 0.000 -0.077) 20.341 20.246 ( -0.597 0.000 1.586) 1.695 20.522 ( -6.184 0.000 -19.259) 20.228 ======================= Grid point 455 (78/216) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( 13.141 0.000 1.082) 13.185 3.730 ( -7.201 0.000 3.478) 7.997 3.813 ( 22.916 0.000 20.767) 30.926 5.240 ( 2.021 0.000 -2.809) 3.461 6.694 ( 31.507 0.000 -1.882) 31.563 7.590 ( 5.532 0.000 -1.680) 5.781 7.875 ( 55.949 0.000 -4.341) 56.117 8.493 ( 10.676 0.000 18.893) 21.701 10.018 ( -21.389 0.000 33.798) 39.998 11.125 ( 26.181 0.000 41.884) 49.393 11.409 ( -30.787 0.000 -7.421) 31.669 13.048 ( -15.647 0.000 13.297) 20.533 15.348 ( 33.148 0.000 2.954) 33.279 16.283 ( -6.018 0.000 -19.957) 20.845 16.616 ( -6.848 0.000 -17.375) 18.676 17.835 ( -25.014 0.000 0.170) 25.014 20.192 ( -4.070 0.000 -2.341) 4.695 20.373 ( -8.097 0.000 -12.949) 15.272 ======================= Grid point 456 (79/216) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.201 ( 10.940 0.000 1.744) 11.078 3.577 ( -8.210 0.000 3.059) 8.762 4.278 ( 23.448 0.000 10.949) 25.879 5.097 ( -14.418 0.000 -2.868) 14.700 7.235 ( 21.876 0.000 4.682) 22.372 7.644 ( -0.406 0.000 6.222) 6.235 8.771 ( 16.968 0.000 22.094) 27.858 8.941 ( 50.914 0.000 -4.888) 51.148 9.591 ( -21.691 0.000 26.945) 34.591 10.722 ( -38.077 0.000 -6.237) 38.584 11.654 ( 26.557 0.000 31.139) 40.926 12.654 ( -22.804 0.000 16.860) 28.360 16.020 ( 33.847 0.000 1.769) 33.893 16.268 ( 3.211 0.000 -17.183) 17.480 16.488 ( -6.175 0.000 -15.366) 16.561 17.294 ( -29.125 0.000 0.519) 29.130 20.120 ( -2.297 0.000 -5.909) 6.340 20.220 ( -6.787 0.000 -8.824) 11.132 ======================= Grid point 457 (80/216) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.402 ( -9.371 0.000 2.450) 9.686 3.402 ( 9.371 0.000 2.450) 9.686 4.730 ( -21.339 0.000 2.441) 21.478 4.730 ( 21.339 0.000 2.441) 21.478 7.549 ( -9.816 0.000 8.510) 12.991 7.549 ( 9.816 0.000 8.510) 12.991 9.158 ( -21.322 0.000 23.275) 31.565 9.158 ( 21.322 0.000 23.275) 31.565 9.896 ( -44.816 0.000 -5.473) 45.149 9.896 ( 44.816 0.000 -5.473) 45.149 12.172 ( -25.271 0.000 22.302) 33.705 12.172 ( 25.271 0.000 22.302) 33.705 16.367 ( -5.954 0.000 -15.048) 16.183 16.367 ( 5.954 0.000 -15.048) 16.183 16.681 ( -32.261 0.000 1.020) 32.277 16.681 ( 32.261 0.000 1.020) 32.277 20.122 ( -2.660 0.000 -7.377) 7.842 20.122 ( 2.660 0.000 -7.377) 7.842 ======================= Grid point 466 (81/216) ======================= q-point: ( 0.07 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 532 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 15.765 15.765 10.993) 24.858 2.193 ( 33.755 33.755 5.470) 48.049 2.997 ( 16.018 16.018 56.152) 60.550 3.838 ( 21.071 21.071 -4.298) 30.107 4.084 ( 18.480 18.480 -13.566) 29.446 4.287 ( 6.355 6.355 5.518) 10.546 5.344 ( 40.878 40.878 -17.786) 60.484 8.714 ( -3.383 -3.383 -19.265) 19.850 9.972 ( 1.716 1.716 69.071) 69.113 12.070 ( -23.140 -23.140 31.153) 45.182 12.596 ( 6.566 6.566 -15.181) 17.795 13.008 ( -13.451 -13.451 5.539) 19.813 13.727 ( -1.206 -1.206 9.906) 10.052 17.048 ( -1.603 -1.603 -26.412) 26.509 18.331 ( -22.085 -22.085 -0.699) 31.241 18.978 ( -4.429 -4.429 -3.821) 7.336 19.818 ( 12.885 12.885 1.179) 18.260 20.091 ( 24.875 24.875 -30.423) 46.509 ======================= Grid point 467 (82/216) ======================= q-point: ( 0.14 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 31.071 -2.706 3.918) 31.434 2.670 ( 16.850 6.816 26.812) 32.393 3.548 ( 35.843 28.688 21.256) 50.592 4.194 ( 2.148 15.110 3.113) 15.576 4.572 ( 36.894 7.052 -7.162) 38.239 4.673 ( 36.666 11.617 -3.260) 38.600 6.213 ( 41.483 9.771 -15.480) 45.343 8.606 ( -7.368 -2.557 -15.469) 17.324 10.045 ( 6.229 0.002 66.542) 66.833 11.474 ( -32.407 -17.056 52.585) 64.080 12.580 ( -7.399 9.351 -12.540) 17.304 12.980 ( 6.494 -8.903 -6.984) 13.047 13.801 ( 9.926 -5.674 6.727) 13.266 16.979 ( -5.172 -0.200 -25.661) 26.177 17.776 ( -30.982 -8.138 -3.460) 32.220 18.849 ( -9.140 -4.479 -2.209) 10.415 20.070 ( 11.088 6.253 1.870) 12.867 20.504 ( 14.029 9.622 -31.566) 35.858 ======================= Grid point 468 (83/216) ======================= q-point: ( 0.21 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 22.720 1.373 0.460) 22.766 3.000 ( 17.508 0.539 32.665) 37.065 4.145 ( -4.661 16.378 5.224) 17.812 4.314 ( 38.957 12.215 4.956) 41.127 5.296 ( 36.026 2.238 -10.290) 37.533 5.627 ( 53.094 6.584 0.050) 53.501 6.922 ( 29.151 -1.732 -8.863) 30.518 8.441 ( -8.003 -2.275 -6.868) 10.789 10.238 ( 13.388 -2.510 60.767) 62.275 10.879 ( -26.692 -9.687 49.273) 56.869 12.340 ( -16.927 2.273 -9.726) 19.654 13.089 ( 3.021 -11.647 -0.773) 12.057 14.142 ( 23.594 -3.400 2.466) 23.965 16.852 ( -7.355 0.963 -23.735) 24.867 17.170 ( -28.276 -0.378 -8.268) 29.462 18.612 ( -14.545 -3.044 -1.040) 14.896 20.235 ( 5.313 3.848 2.259) 6.938 20.643 ( 0.874 5.730 -25.574) 26.223 ======================= Grid point 469 (84/216) ======================= q-point: ( 0.29 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 16.929 4.599 0.654) 17.555 3.381 ( 20.692 0.165 27.674) 34.555 4.031 ( -6.517 16.029 5.436) 18.137 4.989 ( 25.809 3.714 -0.750) 26.085 6.008 ( 34.991 -0.418 -6.611) 35.612 6.681 ( 51.760 -3.768 -0.460) 51.899 7.365 ( 15.931 -3.701 -6.545) 17.616 8.351 ( 0.432 -2.587 6.584) 7.087 10.369 ( -19.332 -9.817 41.100) 46.468 10.614 ( 18.418 -0.391 51.691) 54.875 11.908 ( -26.245 -4.858 -7.080) 27.614 13.073 ( -5.110 -15.494 6.484) 17.556 14.696 ( 30.944 -0.168 0.090) 30.945 16.644 ( -15.562 8.763 -15.335) 23.540 16.752 ( -10.542 -2.394 -18.091) 21.075 18.273 ( -19.458 -1.484 -0.353) 19.518 20.282 ( -0.411 3.506 1.113) 3.701 20.582 ( -6.038 5.653 -19.331) 21.026 ======================= Grid point 470 (85/216) ======================= q-point: ( 0.36 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.035 ( 13.870 6.329 2.084) 15.388 3.793 ( 14.269 1.031 18.029) 23.016 3.914 ( 1.011 14.525 6.688) 16.023 5.268 ( 2.115 2.948 -3.778) 5.238 6.669 ( 30.661 -2.569 -1.232) 30.793 7.472 ( 13.766 -10.502 1.012) 17.344 7.808 ( 43.769 -6.994 -4.030) 44.507 8.469 ( 10.600 -3.045 17.356) 20.564 9.960 ( -20.489 -5.929 31.392) 37.953 11.074 ( 24.608 -3.492 40.720) 47.706 11.309 ( -32.919 -11.145 -4.573) 35.054 12.877 ( -14.381 -15.078 11.723) 23.907 15.340 ( 33.012 0.717 -1.530) 33.055 16.411 ( -6.085 10.307 -12.956) 17.639 16.599 ( -6.455 -1.745 -18.255) 19.441 17.840 ( -23.856 0.426 0.293) 23.861 20.237 ( -3.422 4.390 -2.101) 5.950 20.435 ( -8.041 6.012 -13.585) 16.892 ======================= Grid point 471 (86/216) ======================= q-point: ( 0.43 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( 11.858 8.091 3.488) 14.773 3.702 ( -8.913 11.500 5.884) 15.695 4.305 ( 23.473 3.035 9.630) 25.553 5.127 ( -14.409 3.112 -2.963) 15.036 7.195 ( 21.308 -4.023 4.607) 22.169 7.579 ( 0.582 -6.345 6.568) 9.151 8.701 ( 26.352 -9.110 11.927) 30.326 8.811 ( 38.537 -11.175 5.552) 40.507 9.547 ( -21.035 -4.565 24.006) 32.243 10.568 ( -39.797 -15.731 -4.573) 43.037 11.595 ( 25.569 -4.840 30.738) 40.275 12.524 ( -20.401 -11.298 15.829) 28.185 15.971 ( 28.377 -2.043 -6.138) 29.105 16.400 ( 4.065 8.304 -8.537) 12.584 16.487 ( -3.565 1.009 -15.242) 15.686 17.329 ( -27.331 3.057 1.123) 27.524 20.177 ( -1.834 5.534 -5.438) 7.972 20.283 ( -6.759 6.149 -9.530) 13.203 ======================= Grid point 472 (87/216) ======================= q-point: (-0.50 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.510 ( -10.341 9.990 4.703) 15.128 3.510 ( 10.341 9.990 4.703) 15.128 4.759 ( -21.425 3.033 2.169) 21.747 4.759 ( 21.425 3.033 2.169) 21.747 7.498 ( -9.236 -5.013 8.419) 13.465 7.498 ( 9.236 -5.013 8.419) 13.465 9.107 ( -20.708 -5.630 20.728) 29.836 9.107 ( 20.708 -5.630 20.728) 29.836 9.727 ( -44.233 -16.600 -3.516) 47.375 9.727 ( 44.233 -16.600 -3.516) 47.375 12.085 ( -23.470 -7.389 21.713) 32.816 12.085 ( 23.470 -7.389 21.713) 32.816 16.329 ( -8.701 -2.625 -15.076) 17.604 16.329 ( 8.701 -2.625 -15.076) 17.604 16.775 ( -26.745 7.639 1.638) 27.863 16.775 ( 26.745 7.639 1.638) 27.863 20.184 ( -2.760 6.101 -7.462) 10.026 20.184 ( 2.760 6.101 -7.462) 10.026 ======================= Grid point 482 (88/216) ======================= q-point: ( 0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 16.325 16.325 0.776) 23.101 2.813 ( 8.133 8.133 27.538) 29.843 4.202 ( 29.193 29.193 -0.278) 41.287 4.455 ( 8.541 8.541 5.818) 13.407 4.907 ( 23.054 23.054 4.037) 32.852 5.000 ( 28.809 28.809 -2.152) 40.799 6.513 ( 19.462 19.462 -7.419) 28.506 8.514 ( -6.851 -6.851 -14.169) 17.165 10.071 ( 3.193 3.193 64.913) 65.070 11.065 ( -21.996 -21.996 52.818) 61.297 12.693 ( -7.986 -7.986 -6.092) 12.832 12.781 ( -3.371 -3.371 -6.657) 8.188 13.826 ( 10.517 10.517 -1.270) 14.927 16.932 ( -4.447 -4.447 -26.027) 26.776 17.509 ( -17.694 -17.694 0.306) 25.025 18.727 ( -8.032 -8.032 -2.820) 11.704 20.214 ( 7.264 7.264 1.337) 10.359 20.691 ( 7.521 7.521 -29.167) 31.046 ======================= Grid point 483 (89/216) ======================= q-point: ( 0.21 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 24.376 2.685 -2.555) 24.656 3.029 ( 14.175 2.574 23.147) 27.264 4.517 ( -0.741 17.918 9.032) 20.079 4.673 ( 21.074 20.878 -4.324) 29.979 5.423 ( 29.372 11.689 -1.382) 31.643 5.796 ( 43.694 11.127 4.287) 45.292 6.927 ( 20.390 3.185 -0.198) 20.638 8.349 ( -8.572 -7.430 -8.571) 14.218 10.176 ( 6.000 -3.804 56.885) 57.327 10.670 ( -15.268 -8.981 47.702) 50.884 12.289 ( -26.886 -11.217 -4.048) 29.412 12.792 ( -0.703 -14.682 -0.467) 14.706 14.207 ( 25.873 11.196 -5.116) 28.652 16.815 ( -6.911 -4.533 -24.484) 25.842 17.129 ( -19.078 -4.548 -1.003) 19.638 18.521 ( -12.682 -6.217 -1.692) 14.225 20.332 ( 4.194 5.350 1.092) 6.884 20.771 ( 0.436 6.157 -24.207) 24.982 ======================= Grid point 484 (90/216) ======================= q-point: ( 0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 984 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( 19.816 2.541 -1.878) 20.066 3.377 ( 20.087 -0.704 19.425) 27.952 4.439 ( -5.992 22.821 9.666) 25.498 5.111 ( 20.519 8.577 -3.899) 22.579 6.020 ( 29.756 1.950 -0.926) 29.834 6.616 ( 37.809 -1.706 5.491) 38.244 7.270 ( 13.797 -5.166 -0.022) 14.733 8.241 ( -0.655 -9.212 2.926) 9.687 10.110 ( -13.517 -14.361 34.977) 40.154 10.663 ( 14.820 5.672 49.679) 52.151 11.665 ( -35.193 -21.599 -2.990) 41.400 12.732 ( -5.490 -15.491 5.602) 17.364 14.789 ( 31.346 10.015 -6.084) 33.465 16.670 ( -7.394 -4.960 -21.332) 23.116 16.795 ( -13.540 4.264 -3.967) 14.739 18.223 ( -17.159 -3.666 -0.506) 17.553 20.375 ( 0.246 5.496 0.140) 5.503 20.721 ( -5.038 7.507 -18.899) 20.951 ======================= Grid point 485 (91/216) ======================= q-point: ( 0.36 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.164 ( 16.580 5.516 1.934) 17.580 3.789 ( 19.404 -1.175 15.626) 24.941 4.314 ( -4.911 23.467 8.755) 25.524 5.363 ( 2.608 6.569 -3.783) 8.016 6.591 ( 27.221 -5.230 1.462) 27.757 7.235 ( 19.089 -11.860 6.532) 23.403 7.599 ( 26.827 -13.344 -0.911) 29.976 8.334 ( 9.030 -11.471 14.589) 20.639 9.786 ( -17.905 -10.937 23.069) 31.183 10.910 ( -39.908 -28.753 -1.955) 49.226 11.069 ( 23.203 3.654 39.813) 46.226 12.569 ( -10.865 -13.121 10.578) 20.053 15.417 ( 30.860 7.057 -7.604) 32.557 16.528 ( -6.512 -3.778 -16.793) 18.404 16.612 ( -4.681 6.815 -5.930) 10.175 17.842 ( -20.958 -0.512 0.748) 20.977 20.354 ( -1.847 7.005 -2.033) 7.524 20.592 ( -7.358 9.041 -14.094) 18.290 ======================= Grid point 486 (92/216) ======================= q-point: ( 0.43 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 984 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.473 ( 14.600 9.025 5.820) 18.124 3.944 ( -5.692 9.785 11.851) 16.389 4.436 ( 18.715 11.439 6.293) 22.819 5.227 ( -14.373 7.057 -1.834) 16.117 7.073 ( 20.011 -8.300 4.929) 22.218 7.410 ( 2.349 -9.982 8.107) 13.072 8.324 ( 40.442 -26.496 0.556) 48.352 8.573 ( 14.981 -14.859 18.181) 27.852 9.407 ( -19.736 -9.510 15.771) 26.994 10.089 ( -41.898 -31.920 -0.664) 52.676 11.537 ( 22.868 1.014 28.901) 36.868 12.305 ( -15.412 -8.331 14.834) 22.956 15.971 ( 22.910 1.517 -12.549) 26.166 16.411 ( -5.640 -3.686 -16.540) 17.859 16.627 ( 7.354 8.610 0.235) 11.326 17.396 ( -23.500 3.313 2.410) 23.854 20.325 ( -0.555 8.801 -4.791) 10.036 20.449 ( -6.538 9.889 -10.288) 15.697 ======================= Grid point 487 (93/216) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.744 ( -12.431 11.855 8.862) 19.329 3.744 ( 12.431 11.855 8.862) 19.329 4.859 ( -21.255 7.259 2.137) 22.562 4.859 ( 21.255 7.259 2.137) 22.562 7.356 ( -8.176 -9.027 8.602) 14.910 7.356 ( 8.176 -9.027 8.602) 14.910 8.875 ( -9.758 -20.744 12.600) 26.159 8.875 ( 9.758 -20.744 12.600) 26.159 9.291 ( -31.530 -23.770 3.053) 39.604 9.291 ( 31.530 -23.770 3.053) 39.604 11.959 ( -19.320 -3.145 20.400) 28.272 11.959 ( 19.320 -3.145 20.400) 28.272 16.277 ( -9.045 -2.936 -16.659) 19.183 16.277 ( 9.045 -2.936 -16.659) 19.183 16.933 ( -21.676 7.601 4.195) 23.350 16.933 ( 21.676 7.601 4.195) 23.350 20.349 ( -3.173 9.864 -7.438) 12.755 20.349 ( 3.173 9.864 -7.438) 12.755 ======================= Grid point 498 (94/216) ======================= q-point: ( 0.21 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 532 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 14.059 14.059 -6.326) 20.865 3.121 ( 7.444 7.444 12.786) 16.562 4.786 ( 8.692 8.692 12.662) 17.647 5.035 ( 14.926 14.926 -6.201) 22.001 5.722 ( 16.533 16.533 6.212) 24.192 6.147 ( 24.285 24.285 6.164) 34.893 7.048 ( 7.928 7.928 9.311) 14.574 8.154 ( -11.120 -11.120 -7.719) 17.519 10.057 ( -8.739 -8.739 38.675) 40.602 10.617 ( 5.117 5.117 49.985) 50.506 11.813 ( -34.039 -34.039 -1.570) 48.164 12.611 ( -5.121 -5.121 3.186) 7.912 14.563 ( 23.114 23.114 -8.470) 33.767 16.694 ( -7.083 -7.083 -23.033) 25.117 16.990 ( -8.709 -8.709 0.863) 12.347 18.360 ( -10.027 -10.027 -1.072) 14.220 20.429 ( 4.043 4.043 0.243) 5.722 20.858 ( 2.102 2.102 -21.139) 21.347 ======================= Grid point 499 (95/216) ======================= q-point: ( 0.29 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( 18.676 5.375 -6.374) 20.453 3.357 ( 16.538 -0.663 6.950) 17.951 4.863 ( -0.959 18.618 14.665) 23.720 5.309 ( 13.835 10.157 -0.461) 17.169 6.080 ( 18.904 3.647 5.667) 20.070 6.647 ( 23.385 5.171 9.926) 25.926 7.188 ( 5.439 -2.673 11.280) 12.805 7.981 ( -4.162 -15.939 -0.716) 16.489 9.841 ( -12.647 -12.557 21.077) 27.602 10.855 ( 17.268 13.754 45.102) 50.215 11.039 ( -42.038 -39.491 -0.398) 57.679 12.519 ( -4.776 -6.329 8.486) 11.613 15.074 ( 26.977 17.527 -10.367) 33.800 16.548 ( -7.334 -7.142 -21.442) 23.760 16.816 ( -7.946 -1.686 1.409) 8.244 18.122 ( -13.838 -6.593 0.095) 15.328 20.485 ( 1.583 5.199 -0.699) 5.480 20.851 ( -2.605 5.050 -17.191) 18.106 ======================= Grid point 500 (96/216) ======================= q-point: ( 0.36 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.243 ( 18.892 3.157 -1.103) 19.186 3.741 ( 20.121 -3.812 5.764) 21.274 4.782 ( -5.625 22.375 13.490) 26.726 5.520 ( 3.686 8.534 1.998) 9.508 6.455 ( 19.373 -8.584 6.324) 22.113 7.043 ( 15.573 -6.886 12.680) 21.230 7.325 ( 11.888 -12.697 6.256) 18.485 8.008 ( 5.882 -20.244 10.350) 23.485 9.550 ( -16.923 -12.587 10.537) 23.577 10.176 ( -43.225 -42.885 1.421) 60.906 11.258 ( 21.583 14.752 34.635) 43.393 12.406 ( -6.760 -3.172 12.194) 14.299 15.596 ( 24.406 9.885 -13.373) 29.533 16.411 ( -6.257 -7.475 -19.911) 22.170 16.708 ( -1.993 2.820 3.674) 5.042 17.813 ( -17.066 -2.569 1.571) 17.329 20.499 ( 0.165 7.173 -2.240) 7.516 20.766 ( -5.534 7.819 -13.241) 16.343 ======================= Grid point 501 (97/216) ======================= q-point: ( 0.43 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.614 ( 17.911 4.853 5.342) 19.311 4.039 ( 5.488 0.301 8.613) 10.218 4.747 ( 6.149 17.644 8.599) 20.569 5.398 ( -14.372 9.332 2.733) 17.352 6.859 ( 19.606 -13.401 6.320) 24.575 7.214 ( 2.441 -8.987 11.562) 14.846 7.736 ( 26.618 -30.168 9.764) 41.400 8.181 ( 10.714 -24.206 9.895) 28.260 9.154 ( -22.662 -18.239 8.815) 30.397 9.373 ( -35.199 -35.206 2.647) 49.854 11.672 ( 19.189 12.302 24.759) 33.653 12.243 ( -9.849 2.286 14.570) 17.734 15.997 ( 14.797 0.201 -17.719) 23.086 16.300 ( -5.063 -7.430 -18.549) 20.614 16.775 ( 9.543 6.593 7.280) 13.695 17.449 ( -19.146 1.866 3.616) 19.574 20.508 ( 1.050 9.079 -4.374) 10.132 20.649 ( -5.756 9.598 -9.791) 14.870 ======================= Grid point 502 (98/216) ======================= q-point: (-0.50 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.931 ( -12.957 6.328 9.559) 17.300 3.931 ( 12.957 6.328 9.559) 17.300 5.039 ( -19.362 10.025 4.117) 22.189 5.039 ( 19.362 10.025 4.117) 22.189 7.154 ( -8.873 -10.752 9.498) 16.869 7.154 ( 8.873 -10.752 9.498) 16.869 8.230 ( -16.079 -40.450 8.400) 44.332 8.230 ( 16.079 -40.450 8.400) 44.332 8.887 ( -8.741 -17.969 6.881) 21.134 8.887 ( 8.741 -17.969 6.881) 21.134 12.005 ( -14.230 7.879 18.048) 24.296 12.005 ( 14.230 7.879 18.048) 24.296 16.193 ( -6.356 -5.839 -18.413) 20.336 16.193 ( 6.356 -5.839 -18.413) 20.336 17.068 ( -18.297 6.029 6.359) 20.287 17.068 ( 18.297 6.029 6.359) 20.287 20.553 ( -3.632 10.036 -6.893) 12.705 20.553 ( 3.632 10.036 -6.893) 12.705 ======================= Grid point 514 (99/216) ======================= q-point: ( 0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( 12.644 12.644 -8.630) 19.855 3.398 ( 6.373 6.373 -2.271) 9.295 5.157 ( 9.735 9.735 20.159) 24.412 5.477 ( 7.341 7.341 6.227) 12.106 6.165 ( 4.888 4.888 7.508) 10.206 6.798 ( 8.551 8.551 14.327) 18.748 7.154 ( -1.346 -1.346 20.716) 20.803 7.684 ( -11.192 -11.192 -4.101) 16.350 9.592 ( -13.189 -13.189 7.735) 20.193 10.168 ( -46.013 -46.013 2.089) 65.106 11.203 ( 20.223 20.223 36.755) 46.571 12.445 ( -1.843 -1.843 12.063) 12.341 15.443 ( 18.533 18.533 -14.585) 29.995 16.394 ( -7.996 -7.996 -21.368) 24.175 16.763 ( -2.587 -2.587 5.613) 6.700 17.959 ( -9.727 -9.727 1.175) 13.806 20.573 ( 3.526 3.526 -1.437) 5.190 20.910 ( 0.739 0.739 -14.406) 14.444 ======================= Grid point 515 (100/216) ======================= q-point: ( 0.36 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.337 ( 15.854 7.381 -4.511) 18.060 3.647 ( 17.479 -4.690 -5.134) 18.811 5.187 ( -5.342 18.501 19.003) 27.054 5.647 ( 6.404 2.204 11.953) 13.739 6.259 ( 5.862 -10.285 8.041) 14.311 6.949 ( 7.062 -3.283 18.556) 20.125 7.147 ( 1.827 -4.533 15.930) 16.663 7.595 ( 1.239 -19.257 0.889) 19.317 9.231 ( -35.934 -32.627 5.830) 48.885 9.328 ( -24.100 -27.385 1.234) 36.500 11.621 ( 20.734 20.629 26.993) 39.800 12.421 ( -1.151 3.865 13.274) 13.873 15.770 ( 13.279 6.647 -19.128) 24.216 16.242 ( -6.980 -9.124 -20.442) 23.449 16.757 ( 3.092 3.150 9.491) 10.467 17.737 ( -12.511 -5.100 2.562) 13.751 20.628 ( 2.212 5.596 -2.420) 6.486 20.886 ( -2.841 3.981 -11.246) 12.264 ======================= Grid point 516 (101/216) ======================= q-point: ( 0.43 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 984 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.684 ( 18.215 2.973 2.584) 18.636 3.979 ( 11.987 -5.855 -1.605) 13.436 5.072 ( -2.446 14.235 13.625) 19.856 5.551 ( -14.882 4.497 8.793) 17.861 6.524 ( 20.140 -20.207 8.742) 29.839 7.063 ( 1.417 -6.535 17.517) 18.750 7.240 ( 7.737 -16.868 16.570) 24.879 7.631 ( -1.719 -30.218 2.149) 30.343 8.556 ( -21.412 -31.645 12.898) 40.327 8.928 ( -20.745 -16.591 -0.917) 26.579 11.993 ( 15.998 18.780 18.849) 31.047 12.376 ( -3.939 10.090 12.928) 16.865 15.957 ( 5.991 -4.223 -20.439) 21.714 16.124 ( -4.829 -9.826 -19.305) 22.194 16.905 ( 11.313 6.600 9.902) 16.420 17.466 ( -14.432 -0.220 4.447) 15.103 20.671 ( 2.367 7.108 -3.858) 8.427 20.811 ( -4.267 6.367 -8.293) 11.293 ======================= Grid point 517 (102/216) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.994 ( -10.213 0.150 5.071) 11.404 3.994 ( 10.213 0.150 5.071) 11.404 5.209 ( -15.517 5.793 7.033) 17.994 5.209 ( 15.517 5.793 7.033) 17.994 6.924 ( -15.940 -13.956 8.897) 22.978 6.924 ( 15.940 -13.956 8.897) 22.978 7.441 ( -12.511 -33.775 16.155) 39.475 7.441 ( 12.511 -33.775 16.155) 39.475 8.541 ( -15.098 -16.548 4.771) 22.903 8.541 ( 15.098 -16.548 4.771) 22.903 12.246 ( -9.419 15.194 14.082) 22.757 12.246 ( 9.419 15.194 14.082) 22.757 16.044 ( -3.596 -8.920 -19.240) 21.510 16.044 ( 3.596 -8.920 -19.240) 21.510 17.172 ( -14.715 4.381 7.071) 16.903 17.172 ( 14.715 4.381 7.071) 16.903 20.730 ( -3.609 7.456 -5.813) 10.120 20.730 ( 3.609 7.456 -5.813) 10.120 ======================= Grid point 530 (103/216) ======================= q-point: ( 0.36 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 532 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.544 ( 11.699 11.699 -5.564) 17.455 3.620 ( 4.575 4.575 -9.195) 11.243 5.497 ( 5.269 5.269 27.518) 28.509 5.572 ( -3.140 -3.140 14.439) 15.106 6.071 ( -8.077 -8.077 4.413) 12.245 6.911 ( 0.214 0.214 22.171) 22.173 7.114 ( -0.330 -0.330 22.504) 22.508 7.290 ( -12.120 -12.120 -7.157) 18.575 8.453 ( -33.005 -33.005 12.911) 48.429 8.972 ( -17.636 -17.636 -3.058) 25.128 12.033 ( 19.676 19.676 19.084) 33.742 12.523 ( 5.348 5.348 11.944) 14.137 15.845 ( 1.203 1.203 -21.636) 21.703 16.065 ( -8.253 -8.253 -20.021) 23.175 16.861 ( 7.362 7.362 11.244) 15.324 17.610 ( -7.554 -7.554 3.666) 11.295 20.721 ( 3.818 3.818 -2.687) 6.032 20.924 ( 0.053 0.053 -8.767) 8.767 ======================= Grid point 531 (104/216) ======================= q-point: ( 0.43 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.743 ( 11.592 1.885 -3.051) 12.134 3.852 ( 12.168 -4.309 -7.314) 14.836 5.295 ( -10.790 7.233 17.115) 21.487 5.518 ( -14.296 -8.381 11.718) 20.296 6.122 ( 15.052 -17.148 11.117) 25.381 6.938 ( -11.354 -12.722 11.748) 20.707 6.992 ( -3.510 -13.299 12.808) 18.794 7.128 ( -1.774 -7.764 22.379) 23.754 8.087 ( -2.598 -14.922 11.636) 19.100 8.603 ( -19.050 -15.971 -1.602) 24.910 12.370 ( 13.541 17.915 12.738) 25.818 12.598 ( 1.473 11.029 9.742) 14.789 15.846 ( -0.257 -6.174 -20.482) 21.394 15.928 ( -5.252 -9.326 -19.281) 22.053 17.038 ( 9.952 6.642 9.351) 15.185 17.440 ( -9.399 -2.422 5.061) 10.946 20.787 ( 2.972 4.542 -3.318) 6.361 20.899 ( -2.293 2.526 -6.401) 7.253 ======================= Grid point 532 (105/216) ======================= q-point: (-0.50 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.944 ( -4.761 -4.975 -2.392) 7.289 3.944 ( 4.761 -4.975 -2.392) 7.289 5.243 ( -7.732 -2.134 8.984) 12.043 5.243 ( 7.732 -2.134 8.984) 12.043 6.512 ( -22.189 -23.620 10.986) 34.219 6.512 ( 22.189 -23.620 10.986) 34.219 7.074 ( -4.122 -5.462 23.820) 24.783 7.074 ( 4.122 -5.462 23.820) 24.783 8.247 ( -15.303 -12.522 3.494) 20.080 8.247 ( 15.303 -12.522 3.494) 20.080 12.561 ( -5.566 15.157 9.458) 18.713 12.561 ( 5.566 15.157 9.458) 18.713 15.858 ( -1.831 -9.080 -19.225) 21.340 15.858 ( 1.831 -9.080 -19.225) 21.340 17.242 ( -10.303 2.605 6.949) 12.697 17.242 ( 10.303 2.605 6.949) 12.697 20.845 ( -2.902 4.112 -4.534) 6.774 20.845 ( 2.902 4.112 -4.534) 6.774 ======================= Grid point 546 (106/216) ======================= q-point: ( 0.43 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.738 ( 1.165 1.165 -10.228) 10.360 3.862 ( 1.339 1.339 -5.322) 5.649 5.272 ( -11.059 -11.059 11.289) 19.289 5.306 ( -7.755 -7.755 11.610) 15.971 5.966 ( 2.703 2.703 16.561) 16.996 6.489 ( -20.453 -20.453 12.191) 31.389 6.985 ( 3.154 3.154 24.185) 24.593 7.089 ( -0.720 -0.720 24.026) 24.047 7.945 ( 0.005 0.005 7.171) 7.171 8.300 ( -14.252 -14.252 0.115) 20.155 12.669 ( 11.409 11.409 7.866) 17.950 12.774 ( 5.819 5.819 6.636) 10.572 15.740 ( -3.891 -3.891 -19.474) 20.236 15.773 ( -5.791 -5.791 -18.853) 20.555 17.165 ( 6.059 6.059 7.948) 11.687 17.373 ( -4.178 -4.178 5.746) 8.242 20.857 ( 2.690 2.690 -3.094) 4.903 20.919 ( -0.218 -0.218 -4.667) 4.677 ======================= Grid point 547 (107/216) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.819 ( -5.168 -6.407 -8.475) 11.814 3.819 ( 5.168 -6.407 -8.475) 11.814 5.170 ( -2.592 -3.749 9.380) 10.428 5.170 ( 2.592 -3.749 9.380) 10.428 6.150 ( -13.764 -11.835 18.374) 25.828 6.150 ( 13.764 -11.835 18.374) 25.828 7.054 ( -3.011 1.267 24.339) 24.557 7.054 ( 3.011 1.267 24.339) 24.557 8.053 ( -9.828 -6.787 3.211) 12.368 8.053 ( 9.828 -6.787 3.211) 12.368 12.809 ( -2.555 9.023 5.623) 10.934 12.809 ( 2.555 9.023 5.623) 10.934 15.707 ( -0.778 -5.577 -18.738) 19.566 15.707 ( 0.778 -5.577 -18.738) 19.566 17.278 ( -5.285 1.081 6.689) 8.594 17.278 ( 5.285 1.081 6.689) 8.594 20.899 ( -1.613 1.556 -3.506) 4.161 20.899 ( 1.613 1.556 -3.506) 4.161 ======================= Grid point 569 (108/216) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.745 ( 0.000 0.000 -10.275) 10.275 3.745 ( 0.000 0.000 -10.275) 10.275 5.130 ( 0.000 0.000 8.749) 8.749 5.130 ( 0.000 0.000 8.749) 8.749 6.034 ( 0.000 0.000 21.412) 21.412 6.034 ( 0.000 0.000 21.412) 21.412 7.073 ( 0.000 0.000 24.461) 24.461 7.073 ( 0.000 0.000 24.461) 24.461 7.984 ( -0.000 -0.000 3.173) 3.173 7.984 ( 0.000 0.000 3.173) 3.173 12.901 ( 0.000 0.000 4.074) 4.074 12.901 ( 0.000 0.000 4.074) 4.074 15.650 ( 0.000 0.000 -18.420) 18.420 15.650 ( 0.000 0.000 -18.420) 18.420 17.288 ( 0.000 0.000 6.582) 6.582 17.288 ( 0.000 0.000 6.582) 6.582 20.914 ( 0.000 0.000 -3.112) 3.112 20.914 ( 0.000 0.000 -3.112) 3.112 ======================= Grid point 675 (109/216) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 0.000 0.000 15.959) 15.959 1.220 ( -0.000 0.000 15.959) 15.959 3.193 ( 0.000 0.000 -7.577) 7.577 3.193 ( 0.000 0.000 -7.577) 7.577 4.243 ( 0.000 0.000 3.672) 3.672 4.243 ( 0.000 0.000 3.672) 3.672 4.272 ( 0.000 0.000 68.910) 68.910 8.270 ( -0.000 0.000 -31.871) 31.871 11.408 ( -0.000 -0.000 79.550) 79.550 12.147 ( -0.000 0.000 -13.403) 13.403 12.147 ( 0.000 0.000 -13.403) 13.403 13.960 ( 0.000 0.000 8.612) 8.612 13.960 ( -0.000 0.000 8.612) 8.612 16.435 ( 0.000 0.000 -40.291) 40.291 19.095 ( -0.000 0.000 -0.445) 0.445 19.095 ( 0.000 0.000 -0.445) 0.445 19.178 ( -0.000 0.000 1.823) 1.823 19.250 ( -0.000 0.000 0.220) 0.220 ======================= Grid point 676 (110/216) ======================= q-point: ( 0.07 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 21.150 0.000 9.885) 23.346 1.798 ( 46.752 0.000 7.522) 47.353 3.495 ( 28.946 0.000 -5.752) 29.512 3.502 ( 25.189 0.000 -5.909) 25.873 4.131 ( 3.736 0.000 39.908) 40.083 4.237 ( -0.139 0.000 3.532) 3.534 4.943 ( 48.476 0.000 18.095) 51.743 8.259 ( -1.023 0.000 -30.333) 30.350 11.404 ( 0.038 0.000 76.849) 76.849 12.168 ( 1.665 0.000 -13.394) 13.497 12.278 ( 11.541 0.000 -6.183) 13.092 13.576 ( -32.746 0.000 15.781) 36.350 13.981 ( 2.446 0.000 8.624) 8.964 16.418 ( -1.869 0.000 -40.024) 40.067 18.470 ( -37.881 0.000 -3.843) 38.075 19.044 ( -5.110 0.000 -0.424) 5.127 19.477 ( 23.233 0.000 -7.332) 24.363 19.702 ( 22.377 0.000 1.509) 22.428 ======================= Grid point 677 (111/216) ======================= q-point: ( 0.14 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 22.111 0.000 3.353) 22.364 2.754 ( 44.278 0.000 1.888) 44.318 4.005 ( 23.567 0.000 21.971) 32.220 4.059 ( 8.468 0.000 1.740) 8.644 4.424 ( 26.851 0.000 10.766) 28.929 4.453 ( 38.762 0.000 -1.838) 38.806 5.975 ( 49.897 0.000 3.268) 50.004 8.241 ( -0.141 0.000 -24.524) 24.524 11.429 ( 2.911 0.000 72.840) 72.898 12.180 ( -1.558 0.000 -12.854) 12.948 12.412 ( -10.251 0.000 26.889) 28.777 13.013 ( -9.435 0.000 2.137) 9.674 14.084 ( 8.704 0.000 8.137) 11.915 16.359 ( -3.971 0.000 -38.576) 38.780 17.668 ( -41.750 0.000 -9.677) 42.857 18.891 ( -10.202 0.000 -0.361) 10.208 19.907 ( 16.907 0.000 -15.718) 23.085 20.071 ( 14.720 0.000 1.531) 14.799 ======================= Grid point 678 (112/216) ======================= q-point: ( 0.21 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 19.245 0.000 1.035) 19.273 3.435 ( 23.986 0.000 8.925) 25.592 4.042 ( -4.225 0.000 3.665) 5.593 4.517 ( 28.025 0.000 21.530) 35.341 5.108 ( 38.962 0.000 -5.360) 39.329 5.486 ( 57.466 0.000 -3.317) 57.561 6.810 ( 32.896 0.000 -1.552) 32.932 8.292 ( 6.514 0.000 -11.333) 13.072 11.530 ( 7.233 0.000 66.998) 67.387 11.881 ( -31.776 0.000 41.575) 52.328 12.068 ( -10.378 0.000 -11.120) 15.211 13.199 ( 15.847 0.000 1.270) 15.897 14.353 ( 18.557 0.000 6.470) 19.652 16.265 ( -5.507 0.000 -35.322) 35.749 16.856 ( -38.103 0.000 -17.843) 42.074 18.638 ( -15.240 0.000 -0.249) 15.242 20.111 ( 3.939 0.000 -16.576) 17.037 20.286 ( 6.891 0.000 1.285) 7.010 ======================= Grid point 679 (113/216) ======================= q-point: ( 0.29 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 16.321 0.000 0.762) 16.339 3.800 ( 15.007 0.000 12.681) 19.648 3.937 ( -6.166 0.000 3.699) 7.191 4.987 ( 15.812 0.000 1.913) 15.927 5.917 ( 41.340 0.000 -2.413) 41.410 6.650 ( 58.426 0.000 -3.808) 58.550 7.305 ( 18.691 0.000 -1.497) 18.750 8.520 ( 15.600 0.000 6.331) 16.835 11.263 ( -29.038 0.000 38.096) 47.902 11.732 ( 11.812 0.000 59.196) 60.363 11.759 ( -20.455 0.000 -8.982) 22.341 13.442 ( 6.088 0.000 14.016) 15.281 14.813 ( 27.077 0.000 4.387) 27.430 16.074 ( -16.917 0.000 -27.083) 31.932 16.297 ( -12.632 0.000 -30.159) 32.698 18.285 ( -20.136 0.000 -0.080) 20.136 20.099 ( -4.074 0.000 -15.786) 16.303 20.348 ( -0.570 0.000 1.359) 1.473 ======================= Grid point 680 (114/216) ======================= q-point: ( 0.36 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( 13.730 0.000 1.204) 13.783 3.800 ( -7.507 0.000 3.496) 8.281 4.085 ( 14.188 0.000 7.435) 16.018 5.109 ( -2.587 0.000 -9.374) 9.724 6.709 ( 37.042 0.000 2.500) 37.126 7.619 ( 13.139 0.000 4.190) 13.791 7.788 ( 55.384 0.000 -4.387) 55.558 8.865 ( 18.262 0.000 18.384) 25.912 10.707 ( -27.068 0.000 34.630) 43.954 11.261 ( -29.369 0.000 -7.345) 30.273 11.999 ( 14.597 0.000 47.087) 49.298 13.383 ( -11.868 0.000 21.787) 24.810 15.405 ( 31.739 0.000 2.776) 31.860 15.826 ( -4.041 0.000 -27.099) 27.399 16.179 ( -3.327 0.000 -27.581) 27.781 17.838 ( -24.723 0.000 0.163) 24.724 19.995 ( -5.230 0.000 -14.214) 15.145 20.274 ( -6.403 0.000 0.020) 6.403 ======================= Grid point 681 (115/216) ======================= q-point: ( 0.43 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.237 ( 11.641 0.000 1.861) 11.789 3.638 ( -8.720 0.000 3.096) 9.253 4.374 ( 14.856 0.000 -0.346) 14.860 4.947 ( -12.095 0.000 -11.052) 16.384 7.350 ( 26.282 0.000 6.287) 27.023 7.797 ( 3.579 0.000 8.415) 9.144 8.843 ( 50.360 0.000 -4.946) 50.602 9.244 ( 20.177 0.000 25.120) 32.220 10.179 ( -25.937 0.000 31.320) 40.666 10.597 ( -37.177 0.000 -6.264) 37.701 12.305 ( 16.199 0.000 34.950) 38.522 13.042 ( -19.986 0.000 23.008) 30.476 15.876 ( 6.673 0.000 -22.842) 23.797 16.054 ( 32.950 0.000 1.703) 32.994 16.115 ( -3.638 0.000 -22.789) 23.077 17.305 ( -28.715 0.000 0.505) 28.719 19.928 ( -0.851 0.000 -11.495) 11.527 20.118 ( -8.431 0.000 -3.115) 8.988 ======================= Grid point 682 (116/216) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.452 ( -10.027 0.000 2.529) 10.341 3.452 ( 10.027 0.000 2.529) 10.341 4.672 ( -14.839 0.000 -7.157) 16.475 4.672 ( 14.839 0.000 -7.157) 16.475 7.726 ( -11.169 0.000 8.752) 14.190 7.726 ( 11.169 0.000 8.752) 14.190 9.681 ( -23.721 0.000 28.664) 37.206 9.681 ( 23.721 0.000 28.664) 37.206 9.786 ( -44.176 0.000 -5.529) 44.521 9.786 ( 44.176 0.000 -5.529) 44.521 12.650 ( -18.645 0.000 26.372) 32.297 12.650 ( 18.645 0.000 26.372) 32.297 16.017 ( -6.373 0.000 -20.605) 21.568 16.017 ( 6.373 0.000 -20.605) 21.568 16.701 ( -31.666 0.000 0.992) 31.682 16.701 ( 31.666 0.000 0.992) 31.682 19.974 ( -5.313 0.000 -7.445) 9.146 19.974 ( 5.313 0.000 -7.445) 9.146 ======================= Grid point 691 (117/216) ======================= q-point: ( 0.07 0.07 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 525 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 10.834 10.834 11.902) 19.401 2.185 ( 28.244 28.244 -3.632) 40.108 3.757 ( 24.010 24.010 -4.013) 34.191 3.766 ( 24.226 24.226 -0.448) 34.264 4.134 ( 4.977 4.977 35.499) 36.190 4.397 ( 7.798 7.798 5.784) 12.453 5.264 ( 32.888 32.888 11.002) 47.795 8.246 ( -1.150 -1.150 -29.081) 29.126 11.397 ( -0.277 -0.277 74.462) 74.463 12.269 ( 4.753 4.753 -0.210) 6.725 12.329 ( 8.349 8.349 -12.104) 16.909 13.326 ( -25.715 -25.715 21.252) 42.121 13.879 ( -4.081 -4.081 5.625) 8.059 16.406 ( -1.518 -1.518 -40.071) 40.128 18.329 ( -21.595 -21.595 0.750) 30.549 18.843 ( -5.619 -5.619 -9.800) 12.617 19.747 ( 16.126 16.126 -7.289) 23.943 19.832 ( 13.086 13.086 0.052) 18.506 ======================= Grid point 692 (118/216) ======================= q-point: ( 0.14 0.07 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 24.497 -2.718 4.535) 25.061 2.768 ( 29.589 3.486 -6.898) 30.582 4.168 ( 14.744 15.803 20.910) 30.073 4.287 ( 12.488 21.713 10.303) 27.085 4.472 ( 29.673 6.245 5.416) 30.803 4.680 ( 35.779 17.522 1.822) 39.881 6.074 ( 42.599 10.985 2.003) 44.038 8.222 ( -0.748 -1.913 -24.100) 24.188 11.412 ( 2.216 -1.223 70.972) 71.017 12.263 ( -6.927 3.361 12.868) 14.995 12.428 ( -13.180 3.130 12.904) 18.709 12.879 ( -1.366 -12.081 -1.078) 12.205 13.900 ( 6.480 -13.579 3.207) 15.384 16.354 ( -3.646 -1.083 -39.063) 39.248 17.707 ( -36.027 0.188 -3.421) 36.190 18.763 ( -6.162 -9.909 -6.656) 13.434 20.027 ( 11.633 10.064 -13.089) 20.198 20.119 ( 13.072 4.608 -0.988) 13.896 ======================= Grid point 693 (119/216) ======================= q-point: ( 0.21 0.07 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 21.458 -0.074 0.092) 21.458 3.315 ( 23.845 -9.604 1.638) 25.759 4.261 ( -3.215 19.786 6.229) 20.990 4.590 ( 22.032 8.232 21.681) 31.988 5.166 ( 37.960 6.929 -3.790) 38.773 5.628 ( 51.991 11.830 -0.089) 53.320 6.816 ( 30.094 1.342 -1.216) 30.149 8.256 ( 5.479 -3.757 -12.062) 13.771 11.486 ( 3.923 -4.484 63.868) 64.146 11.797 ( -28.994 -7.743 44.590) 53.748 12.159 ( -14.070 6.912 -7.751) 17.488 13.099 ( 12.861 -10.181 2.899) 16.657 14.159 ( 19.575 -13.463 -1.218) 23.789 16.271 ( -4.364 -0.738 -36.447) 36.715 16.995 ( -33.754 10.820 -9.356) 36.660 18.570 ( -13.036 -6.155 -3.373) 14.805 20.175 ( 2.948 5.884 -14.592) 16.008 20.315 ( 6.374 2.784 -1.011) 7.028 ======================= Grid point 694 (120/216) ======================= q-point: ( 0.29 0.07 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 18.329 3.941 0.596) 18.758 3.714 ( 17.185 -7.252 6.020) 19.600 4.160 ( -6.408 19.951 8.195) 22.501 5.003 ( 15.682 2.725 2.613) 16.130 5.940 ( 39.017 2.606 -1.401) 39.129 6.667 ( 51.841 1.639 -1.175) 51.880 7.272 ( 17.544 -2.872 -2.055) 17.896 8.468 ( 15.168 -5.369 4.983) 16.844 11.153 ( -28.196 -11.495 37.275) 48.130 11.672 ( 0.335 -2.122 37.848) 37.909 11.805 ( -14.279 -0.081 14.813) 20.575 13.262 ( 2.361 -16.696 13.944) 21.881 14.650 ( 28.470 -9.280 -5.756) 30.492 16.189 ( -3.635 0.770 -31.516) 31.734 16.431 ( -21.282 17.340 -14.294) 30.950 18.254 ( -18.491 -2.985 -1.626) 18.801 20.159 ( -3.758 5.744 -14.687) 16.212 20.373 ( -0.457 2.466 -0.202) 2.516 ======================= Grid point 695 (121/216) ======================= q-point: ( 0.36 0.07 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( 15.589 7.916 2.505) 17.662 3.990 ( -2.080 15.483 2.063) 15.758 4.061 ( 9.813 0.057 8.802) 13.182 5.137 ( -1.940 3.537 -8.643) 9.538 6.688 ( 35.155 -1.974 2.237) 35.281 7.539 ( 17.361 -7.244 5.420) 19.577 7.726 ( 46.480 -6.245 -4.209) 47.086 8.809 ( 18.093 -5.879 16.696) 25.311 10.604 ( -26.932 -10.582 32.314) 43.376 11.190 ( -32.375 -8.213 -5.391) 33.832 11.963 ( 13.513 -2.887 47.954) 49.905 13.177 ( -10.471 -17.452 19.644) 28.286 15.238 ( 29.047 -7.646 -10.441) 31.799 16.141 ( -0.680 2.856 -24.677) 24.851 16.179 ( -4.143 17.799 -13.715) 22.849 17.840 ( -22.919 0.102 -0.386) 22.922 20.063 ( -4.913 6.549 -13.542) 15.824 20.306 ( -5.854 3.155 -1.048) 6.732 ======================= Grid point 696 (122/216) ======================= q-point: ( 0.43 0.07 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.367 ( 13.267 11.495 4.281) 18.068 3.824 ( -9.847 17.416 6.386) 21.002 4.368 ( 16.311 -0.427 -2.319) 16.480 4.979 ( -12.374 3.704 -10.949) 16.933 7.301 ( 25.476 -4.725 5.588) 26.506 7.734 ( 3.858 -6.100 8.343) 11.032 8.699 ( 47.849 -13.859 -3.317) 49.926 9.184 ( 20.131 -6.541 22.823) 31.127 10.077 ( -26.072 -10.432 28.026) 39.674 10.478 ( -38.660 -12.495 -4.029) 40.829 12.249 ( 14.949 -4.698 35.756) 39.038 12.893 ( -16.584 -12.508 22.067) 30.306 15.729 ( 18.357 -6.777 -18.353) 26.828 16.084 ( -3.838 -2.712 -23.313) 23.782 16.337 ( 18.024 18.491 -0.866) 25.837 17.348 ( -26.231 3.915 0.841) 26.535 19.997 ( -1.046 6.764 -11.182) 13.110 20.164 ( -7.646 4.487 -3.741) 9.622 ======================= Grid point 697 (123/216) ======================= q-point: (-0.50 0.07 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.612 ( -11.462 14.652 5.616) 19.432 3.612 ( 11.462 14.652 5.616) 19.432 4.691 ( -15.814 2.274 -8.023) 17.878 4.691 ( 15.814 2.275 -8.023) 17.878 7.669 ( -10.897 -5.669 8.193) 14.765 7.669 ( 10.897 -5.669 8.193) 14.765 9.544 ( -30.364 -14.069 15.337) 36.812 9.544 ( 30.364 -14.069 15.337) 36.812 9.689 ( -35.729 -9.570 6.916) 37.630 9.689 ( 35.729 -9.570 6.916) 37.630 12.560 ( -16.342 -7.648 26.620) 32.159 12.560 ( 16.342 -7.648 26.620) 32.159 15.975 ( -7.879 -3.529 -21.021) 22.725 15.975 ( 7.879 -3.529 -21.021) 22.725 16.811 ( -26.992 9.520 1.964) 28.689 16.811 ( 26.992 9.520 1.964) 28.689 20.034 ( -4.635 5.937 -7.588) 10.691 20.034 ( 4.635 5.937 -7.588) 10.691 ======================= Grid point 707 (124/216) ======================= q-point: ( 0.14 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 525 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 11.938 11.938 2.923) 17.134 2.890 ( 8.629 8.629 -13.324) 18.067 4.537 ( 14.807 14.807 26.879) 34.073 4.577 ( 13.153 13.153 6.499) 19.704 4.996 ( 33.651 33.651 1.802) 47.624 5.005 ( 23.249 23.249 6.031) 33.428 6.433 ( 23.773 23.773 0.735) 33.629 8.168 ( -3.113 -3.113 -21.571) 22.016 11.395 ( -0.712 -0.712 68.430) 68.438 12.048 ( -22.240 -22.240 47.904) 57.306 12.573 ( -3.188 -3.188 -5.917) 7.439 12.664 ( 0.905 0.905 -3.841) 4.048 13.763 ( 3.542 3.542 -5.765) 7.637 16.305 ( -3.630 -3.630 -38.814) 39.152 17.546 ( -16.433 -16.433 4.030) 23.586 18.592 ( -7.237 -7.237 -11.864) 15.669 20.225 ( 6.923 6.923 -0.409) 9.800 20.242 ( 8.597 8.597 -15.469) 19.675 ======================= Grid point 708 (125/216) ======================= q-point: ( 0.21 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 22.434 -0.629 -1.308) 22.481 3.139 ( 16.604 -6.737 -8.913) 20.013 4.709 ( 2.362 21.932 10.266) 24.331 4.843 ( 13.823 15.595 18.803) 28.068 5.436 ( 27.933 20.752 1.512) 34.831 5.873 ( 44.230 12.236 3.637) 46.035 6.911 ( 21.272 9.138 0.155) 23.152 8.138 ( 1.830 -7.990 -13.081) 15.437 11.282 ( -16.822 -18.150 51.583) 57.212 11.662 ( -7.458 -2.687 54.236) 54.813 12.212 ( -25.557 -6.796 -3.069) 26.623 12.833 ( 7.502 -12.069 6.836) 15.769 14.054 ( 23.401 5.300 -11.191) 26.475 16.220 ( -4.656 -4.144 -36.960) 37.482 17.142 ( -21.538 1.917 2.686) 21.790 18.428 ( -10.150 -7.451 -8.487) 15.185 20.312 ( 2.015 6.931 -7.742) 10.584 20.391 ( 5.274 4.653 -8.796) 11.262 ======================= Grid point 709 (126/216) ======================= q-point: ( 0.29 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 22.874 -0.784 -0.708) 22.898 3.521 ( 20.597 -11.533 -3.704) 23.894 4.652 ( -6.287 27.077 12.783) 30.595 5.148 ( 14.008 12.374 6.159) 19.679 6.037 ( 31.099 7.331 1.519) 31.987 6.710 ( 39.420 2.513 3.679) 39.671 7.223 ( 11.444 -0.866 -3.039) 11.872 8.296 ( 13.694 -12.154 2.398) 18.466 10.804 ( -26.427 -22.746 33.619) 48.435 11.591 ( -30.714 -15.303 0.319) 34.317 11.736 ( 4.863 0.009 54.446) 54.663 12.918 ( 0.632 -13.508 14.803) 20.050 14.601 ( 29.691 4.518 -13.881) 33.085 16.131 ( -4.007 -5.012 -33.597) 34.204 16.766 ( -14.888 12.764 0.625) 19.621 18.177 ( -15.028 -4.543 -4.610) 16.363 20.304 ( -2.528 8.021 -10.760) 13.657 20.444 ( 0.017 4.574 -5.055) 6.818 ======================= Grid point 710 (127/216) ======================= q-point: ( 0.36 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.217 ( 20.925 4.199 3.535) 21.633 3.930 ( 19.964 -8.558 -1.935) 21.807 4.493 ( -9.012 27.969 11.304) 31.484 5.291 ( -1.027 12.698 -3.781) 13.288 6.643 ( 29.173 -2.199 2.794) 29.389 7.371 ( 18.130 -8.757 6.943) 21.298 7.552 ( 32.019 -10.480 -3.066) 33.830 8.617 ( 17.041 -13.793 13.689) 25.846 10.281 ( -26.040 -21.340 25.399) 42.174 10.866 ( -38.794 -25.556 -2.196) 46.507 11.936 ( 11.859 1.567 48.314) 49.773 12.854 ( -6.823 -11.824 19.209) 23.566 15.181 ( 27.325 1.234 -16.961) 32.185 16.063 ( -2.976 -5.764 -29.192) 29.904 16.588 ( -2.281 16.964 1.787) 17.209 17.837 ( -18.864 -0.529 -1.520) 18.932 20.234 ( -3.796 9.885 -11.091) 15.334 20.398 ( -4.347 5.935 -4.147) 8.445 ======================= Grid point 711 (128/216) ======================= q-point: ( 0.43 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.604 ( 17.975 10.107 7.530) 21.954 4.173 ( -5.156 7.487 10.424) 13.831 4.440 ( 13.123 15.311 -4.114) 20.581 5.129 ( -13.714 12.134 -7.719) 19.872 7.171 ( 22.853 -8.088 4.485) 24.654 7.569 ( 4.055 -9.913 7.443) 13.042 8.326 ( 41.297 -22.519 -0.189) 47.038 8.957 ( 17.448 -16.944 19.861) 31.401 9.765 ( -25.865 -20.160 18.618) 37.710 10.080 ( -39.326 -27.326 0.875) 47.896 12.180 ( 12.448 -0.572 36.494) 38.563 12.667 ( -11.299 -7.874 22.246) 26.164 15.640 ( 17.909 -2.800 -20.815) 27.601 16.001 ( -3.657 -5.674 -25.028) 25.922 16.685 ( 11.763 15.488 4.858) 20.046 17.436 ( -21.079 4.353 1.452) 21.573 20.179 ( -1.221 10.811 -9.891) 14.704 20.291 ( -5.680 8.066 -5.349) 11.222 ======================= Grid point 712 (129/216) ======================= q-point: (-0.50 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.933 ( -15.006 14.293 10.399) 23.187 3.933 ( 15.006 14.293 10.399) 23.187 4.798 ( -18.598 9.736 -7.696) 22.358 4.798 ( 18.598 9.736 -7.696) 22.358 7.510 ( -10.337 -9.860 6.640) 15.753 7.510 ( 10.337 -9.860 6.640) 15.753 9.109 ( -30.842 -29.371 6.934) 43.150 9.109 ( 30.842 -29.371 6.934) 43.150 9.421 ( -19.027 -16.812 13.316) 28.670 9.421 ( 19.027 -16.812 13.316) 28.670 12.428 ( -12.364 -3.756 27.305) 30.208 12.428 ( 12.364 -3.756 27.305) 30.208 15.892 ( -8.137 -4.873 -22.681) 24.584 15.892 ( 8.137 -4.873 -22.681) 24.584 17.018 ( -20.108 10.141 4.342) 22.936 17.018 ( 20.108 10.141 4.342) 22.936 20.198 ( -3.129 10.057 -7.680) 13.035 20.198 ( 3.129 10.057 -7.680) 13.035 ======================= Grid point 723 (130/216) ======================= q-point: ( 0.21 0.21 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 525 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 11.725 11.725 -3.978) 17.052 3.095 ( 3.547 3.547 -12.467) 13.439 5.049 ( 11.924 11.924 14.001) 21.918 5.165 ( 15.507 15.507 15.218) 26.693 5.860 ( 17.576 17.576 7.836) 26.062 6.220 ( 25.811 25.811 1.359) 36.528 7.154 ( 12.701 12.701 3.494) 18.299 7.967 ( -7.218 -7.218 -11.504) 15.380 10.819 ( -25.947 -25.947 36.604) 51.830 11.695 ( 5.098 5.098 58.893) 59.333 11.775 ( -33.281 -33.281 -2.335) 47.125 12.756 ( 1.451 1.451 14.025) 14.175 14.331 ( 20.283 20.283 -15.942) 32.817 16.120 ( -5.588 -5.588 -35.967) 36.825 17.073 ( -7.396 -7.396 7.793) 13.043 18.274 ( -8.476 -8.476 -8.760) 14.847 20.418 ( 3.322 3.322 -1.548) 4.946 20.488 ( 4.502 4.502 -15.295) 16.567 ======================= Grid point 724 (131/216) ======================= q-point: ( 0.29 0.21 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( 21.755 1.783 -3.780) 22.153 3.304 ( 16.914 -8.579 -10.332) 21.597 5.158 ( -1.350 22.899 15.808) 27.859 5.452 ( 13.668 15.758 11.706) 23.920 6.208 ( 18.799 8.314 6.910) 21.686 6.785 ( 27.520 6.351 4.141) 28.546 7.279 ( -0.641 6.844 -0.329) 6.882 7.982 ( 9.965 -19.085 0.454) 21.535 10.302 ( -25.558 -26.329 24.000) 43.846 11.021 ( -40.757 -37.646 -1.366) 55.500 11.843 ( 9.329 8.630 54.986) 56.436 12.782 ( -0.009 -1.640 19.760) 19.828 14.788 ( 24.191 12.936 -19.326) 33.556 16.010 ( -5.143 -6.901 -33.667) 34.750 16.915 ( -7.024 3.012 8.590) 11.498 18.076 ( -11.542 -5.693 -5.536) 14.010 20.448 ( -0.136 5.842 -4.364) 7.293 20.547 ( 1.163 5.438 -11.701) 12.955 ======================= Grid point 725 (132/216) ======================= q-point: ( 0.36 0.21 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.242 ( 25.076 -0.381 1.035) 25.101 3.714 ( 22.540 -12.353 -7.304) 26.721 5.046 ( -8.379 26.394 13.867) 30.970 5.625 ( 0.642 19.034 7.008) 20.293 6.592 ( 19.547 -3.938 6.875) 21.092 7.224 ( 11.579 -4.941 3.655) 13.109 7.356 ( 17.480 -7.834 0.899) 19.176 8.250 ( 14.145 -22.824 12.304) 29.536 9.805 ( -24.444 -24.986 14.351) 37.786 10.198 ( -40.840 -39.430 0.927) 56.776 12.048 ( 10.753 9.372 45.690) 47.865 12.738 ( -4.452 -0.701 22.339) 22.789 15.246 ( 20.796 4.289 -22.452) 30.902 15.922 ( -3.640 -8.206 -30.214) 31.519 16.840 ( 0.281 8.833 9.448) 12.937 17.815 ( -14.463 -1.746 -1.792) 14.678 20.426 ( -1.658 8.676 -6.467) 10.947 20.534 ( -2.304 7.388 -8.616) 11.581 ======================= Grid point 726 (133/216) ======================= q-point: ( 0.43 0.21 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.723 ( 22.329 2.092 5.522) 23.097 4.109 ( 13.184 -8.688 -1.452) 15.856 4.906 ( -2.059 24.775 8.633) 26.317 5.453 ( -15.942 18.852 2.859) 24.854 6.984 ( 18.950 -11.094 5.666) 22.678 7.365 ( 2.958 -9.834 3.139) 10.738 7.856 ( 29.352 -22.961 4.860) 37.581 8.492 ( 9.237 -29.250 18.179) 35.656 9.330 ( -23.158 -22.090 6.510) 32.659 9.443 ( -32.688 -34.532 6.946) 48.054 12.257 ( 9.998 8.088 34.861) 37.157 12.613 ( -7.685 2.189 23.522) 24.842 15.586 ( 13.024 -3.298 -24.273) 27.743 15.858 ( -3.216 -8.671 -26.698) 28.254 16.940 ( 9.561 10.224 9.317) 16.815 17.509 ( -16.009 2.818 2.139) 16.395 20.399 ( -0.596 10.636 -7.169) 12.840 20.471 ( -3.530 9.508 -7.364) 12.533 ======================= Grid point 727 (134/216) ======================= q-point: (-0.50 0.21 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.092 ( -13.015 1.655 6.288) 14.548 4.092 ( 13.015 1.655 6.288) 14.548 5.088 ( -17.872 17.592 1.843) 25.146 5.088 ( 17.872 17.592 1.843) 25.146 7.292 ( -10.478 -11.776 4.302) 16.339 7.292 ( 10.478 -11.776 4.302) 16.339 8.426 ( -22.410 -36.887 9.553) 44.205 8.426 ( 22.410 -36.887 9.553) 44.205 9.045 ( -5.490 -20.156 9.974) 23.149 9.045 ( 5.490 -20.156 9.974) 23.149 12.445 ( -8.994 5.449 26.930) 28.910 12.445 ( 8.994 5.449 26.930) 28.910 15.771 ( -6.141 -7.425 -24.791) 26.598 15.771 ( 6.141 -7.425 -24.791) 26.598 17.194 ( -15.074 7.407 6.277) 17.930 17.194 ( 15.074 7.407 6.277) 17.930 20.412 ( -1.969 10.879 -7.199) 13.193 20.412 ( 1.969 10.879 -7.199) 13.193 ======================= Grid point 739 (135/216) ======================= q-point: ( 0.29 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 525 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( 13.143 13.143 -5.617) 19.418 3.250 ( 4.573 4.573 -11.100) 12.847 5.544 ( 12.723 12.723 18.899) 26.095 5.692 ( 9.902 9.902 13.329) 19.334 6.339 ( 5.648 5.648 10.419) 13.129 6.988 ( 12.828 12.828 4.546) 18.703 7.445 ( 2.211 2.211 9.209) 9.725 7.608 ( -10.195 -10.195 -3.529) 14.844 9.792 ( -24.496 -24.496 12.008) 36.665 10.201 ( -42.766 -42.766 1.095) 60.490 12.050 ( 11.549 11.549 49.336) 51.969 12.784 ( 0.691 0.691 23.620) 23.640 15.067 ( 14.110 14.110 -24.191) 31.359 15.869 ( -6.896 -6.896 -32.747) 34.168 16.936 ( 0.474 0.474 12.039) 12.058 17.942 ( -7.861 -7.861 -3.631) 11.695 20.533 ( 2.854 2.854 -2.733) 4.875 20.639 ( 3.275 3.275 -12.423) 13.258 ======================= Grid point 740 (136/216) ======================= q-point: ( 0.36 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.269 ( 21.921 4.512 -2.638) 22.535 3.492 ( 18.371 -8.205 -9.372) 22.196 5.529 ( -8.883 22.180 15.328) 28.387 5.948 ( 7.793 10.555 17.534) 21.899 6.437 ( 5.421 -11.459 10.127) 16.225 7.216 ( 2.737 3.687 1.720) 4.903 7.267 ( 2.652 -1.171 5.484) 6.203 7.752 ( 10.090 -25.001 11.264) 29.219 9.327 ( -22.630 -22.851 4.042) 32.413 9.385 ( -37.145 -39.891 4.439) 54.687 12.280 ( 11.028 13.052 40.314) 43.786 12.780 ( -1.449 3.902 24.131) 24.487 15.321 ( 10.939 2.819 -27.030) 29.295 15.747 ( -5.123 -8.954 -30.571) 32.265 16.976 ( 4.124 5.710 12.796) 14.606 17.762 ( -10.170 -3.725 -0.539) 10.844 20.569 ( 1.082 5.810 -3.688) 6.966 20.670 ( -0.009 5.785 -10.042) 11.589 ======================= Grid point 741 (137/216) ======================= q-point: ( 0.43 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.727 ( 21.962 -0.651 0.964) 21.993 3.888 ( 18.083 -12.558 -5.958) 22.808 5.337 ( -7.214 17.682 12.470) 22.808 5.784 ( -19.885 11.512 14.994) 27.436 6.695 ( 18.231 -17.880 8.134) 26.800 7.203 ( -2.124 -6.854 -2.789) 7.699 7.492 ( 13.887 -12.112 12.427) 22.225 7.876 ( 1.074 -29.130 16.296) 33.395 8.783 ( -20.017 -29.886 9.981) 37.329 8.917 ( -18.660 -19.308 0.646) 26.859 12.475 ( 8.428 12.863 30.643) 34.285 12.723 ( -4.223 7.827 23.010) 24.668 15.496 ( 6.756 -5.650 -26.941) 28.344 15.665 ( -3.353 -10.285 -27.864) 29.891 17.107 ( 8.867 6.986 10.808) 15.628 17.544 ( -11.536 0.607 3.049) 11.948 20.586 ( 0.871 8.004 -4.817) 9.382 20.649 ( -1.829 7.844 -7.784) 11.201 ======================= Grid point 742 (138/216) ======================= q-point: (-0.50 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.037 ( -5.853 -6.314 -0.513) 8.625 4.037 ( 5.853 -6.314 -0.513) 8.625 5.391 ( -14.363 10.571 11.560) 21.253 5.391 ( 14.363 10.571 11.560) 21.253 7.038 ( -14.235 -14.358 3.211) 20.472 7.038 ( 14.235 -14.358 3.211) 20.472 7.767 ( -11.424 -25.680 14.683) 31.711 7.767 ( 11.424 -25.680 14.683) 31.711 8.649 ( -5.762 -18.868 6.541) 20.784 8.649 ( 5.762 -18.868 6.541) 20.784 12.619 ( -6.168 11.002 24.334) 27.409 12.619 ( 6.168 11.002 24.334) 27.409 15.598 ( -3.817 -9.641 -26.432) 28.394 15.598 ( 3.817 -9.641 -26.432) 28.394 17.313 ( -11.345 4.612 7.037) 14.124 17.313 ( 11.345 4.612 7.037) 14.124 20.611 ( -1.677 8.735 -6.097) 10.784 20.611 ( 1.677 8.735 -6.097) 10.784 ======================= Grid point 755 (139/216) ======================= q-point: ( 0.36 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 525 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.446 ( 12.706 12.706 -4.649) 18.560 3.448 ( 4.824 4.824 -7.780) 10.348 5.843 ( -3.519 -3.519 12.731) 13.669 6.029 ( 11.055 11.055 22.350) 27.275 6.193 ( -14.082 -14.082 12.106) 23.306 7.212 ( -9.946 -9.946 -0.555) 14.077 7.283 ( 3.212 3.212 13.905) 14.628 7.453 ( 0.229 0.229 11.007) 11.011 8.674 ( -28.853 -28.853 9.716) 41.945 8.915 ( -19.155 -19.155 -2.400) 27.195 12.534 ( 11.771 11.771 32.623) 36.625 12.857 ( 3.056 3.056 22.950) 23.354 15.357 ( 1.064 1.064 -28.778) 28.817 15.582 ( -7.244 -7.244 -29.784) 31.497 17.092 ( 6.298 6.298 12.516) 15.362 17.666 ( -5.857 -5.857 1.574) 8.432 20.661 ( 3.534 3.534 -3.359) 6.022 20.752 ( 2.378 2.378 -8.420) 9.066 ======================= Grid point 756 (140/216) ======================= q-point: ( 0.43 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.656 ( 14.174 -8.643 -5.623) 17.527 3.731 ( 13.564 0.680 -4.736) 14.383 5.573 ( -14.055 4.612 10.667) 18.237 5.796 ( -22.846 -11.594 16.032) 30.222 6.387 ( 18.770 -8.798 16.186) 26.300 7.009 ( -10.924 -13.156 4.592) 17.706 7.370 ( 5.470 -1.320 15.981) 16.942 7.503 ( 1.316 -6.678 13.559) 15.172 8.301 ( -7.971 -17.735 10.167) 21.941 8.567 ( -15.511 -15.698 -1.689) 22.132 12.730 ( 7.682 11.856 24.767) 28.513 12.885 ( -0.378 7.527 20.353) 21.704 15.376 ( 1.127 -5.840 -27.905) 28.532 15.468 ( -4.224 -8.985 -28.100) 29.803 17.229 ( 7.384 5.436 10.096) 13.638 17.533 ( -7.308 -1.584 4.120) 8.538 20.716 ( 2.169 5.090 -3.768) 6.694 20.771 ( -0.244 4.349 -6.381) 7.726 ======================= Grid point 757 (141/216) ======================= q-point: (-0.50 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.866 ( -2.754 -10.216 -4.974) 11.691 3.866 ( 2.754 -10.216 -4.974) 11.691 5.463 ( -6.233 -2.994 12.557) 14.335 5.463 ( 6.233 -2.994 12.557) 14.335 6.737 ( -16.080 -13.544 12.185) 24.300 6.737 ( 16.080 -13.544 12.185) 24.300 7.475 ( -4.011 -5.182 15.435) 16.769 7.475 ( 4.011 -5.182 15.435) 16.769 8.321 ( -8.188 -13.622 4.172) 16.432 8.321 ( 8.188 -13.622 4.172) 16.432 12.843 ( -3.822 10.545 20.142) 23.054 12.843 ( 3.822 10.545 20.142) 23.054 15.407 ( -2.110 -8.932 -27.119) 28.630 15.407 ( 2.110 -8.932 -27.119) 28.630 17.381 ( -7.786 2.397 7.037) 10.765 17.381 ( 7.786 2.397 7.037) 10.765 20.752 ( -1.452 5.370 -4.763) 7.323 20.752 ( 1.452 5.370 -4.763) 7.323 ======================= Grid point 771 (142/216) ======================= q-point: ( 0.43 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 525 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.577 ( 1.168 1.168 -6.033) 6.255 3.743 ( -0.805 -0.805 -6.674) 6.770 5.473 ( -14.260 -14.260 9.121) 22.134 5.502 ( -10.124 -10.124 8.357) 16.578 6.380 ( 6.123 6.123 24.977) 26.435 6.762 ( -11.159 -11.159 15.999) 22.473 7.398 ( 3.130 3.130 16.265) 16.856 7.473 ( 0.369 0.369 13.448) 13.458 8.087 ( -4.025 -4.025 7.136) 9.128 8.295 ( -11.571 -11.571 -0.433) 16.370 12.922 ( 7.075 7.075 18.942) 21.422 12.996 ( 3.222 3.222 16.997) 17.598 15.285 ( -2.948 -2.948 -27.334) 27.650 15.325 ( -5.146 -5.146 -27.345) 28.297 17.328 ( 4.572 4.572 8.515) 10.691 17.485 ( -3.145 -3.145 5.362) 6.966 20.793 ( 2.691 2.691 -3.377) 5.088 20.825 ( 1.248 1.248 -4.776) 5.092 ======================= Grid point 772 (143/216) ======================= q-point: (-0.50 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.669 ( -6.015 -8.397 -6.648) 12.283 3.669 ( 6.015 -8.397 -6.648) 12.283 5.346 ( -2.445 -6.403 8.111) 10.619 5.346 ( 2.445 -6.403 8.111) 10.619 6.552 ( -10.019 -5.340 22.680) 25.363 6.552 ( 10.019 -5.340 22.680) 25.363 7.458 ( -2.222 1.474 15.259) 15.490 7.458 ( 2.222 1.474 15.259) 15.490 8.115 ( -5.988 -6.961 3.113) 9.695 8.115 ( 5.988 -6.961 3.113) 9.695 13.009 ( -1.825 5.760 15.857) 16.969 13.009 ( 1.825 5.760 15.857) 16.969 15.265 ( -0.940 -4.995 -26.754) 27.233 15.265 ( 0.940 -4.995 -26.754) 27.233 17.413 ( -3.982 0.898 6.842) 7.967 17.413 ( 3.982 0.898 6.842) 7.967 20.827 ( -0.857 2.333 -3.694) 4.452 20.827 ( 0.857 2.333 -3.694) 4.452 ======================= Grid point 794 (144/216) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.578 ( 0.000 0.000 -6.783) 6.783 3.578 ( 0.000 0.000 -6.783) 6.783 5.275 ( 0.000 0.000 6.039) 6.039 5.275 ( 0.000 0.000 6.039) 6.039 6.502 ( 0.000 0.000 26.102) 26.102 6.502 ( 0.000 0.000 26.102) 26.102 7.481 ( 0.000 0.000 15.436) 15.436 7.481 ( 0.000 0.000 15.436) 15.436 8.045 ( -0.000 -0.000 2.965) 2.965 8.045 ( 0.000 0.000 2.965) 2.965 13.066 ( 0.000 0.000 13.907) 13.907 13.066 ( 0.000 0.000 13.907) 13.907 15.215 ( 0.000 0.000 -26.320) 26.320 15.215 ( 0.000 0.000 -26.320) 26.320 17.421 ( 0.000 0.000 6.752) 6.752 17.421 ( 0.000 0.000 6.752) 6.752 20.850 ( 0.000 0.000 -3.286) 3.286 20.850 ( 0.000 0.000 -3.286) 3.286 ======================= Grid point 900 (145/216) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 0.000 0.000 9.246) 9.246 1.468 ( 0.000 -0.000 9.246) 9.246 3.066 ( -0.000 0.000 -5.093) 5.093 3.066 ( 0.000 0.000 -5.093) 5.093 4.300 ( 0.000 0.000 2.139) 2.139 4.300 ( 0.000 0.000 2.139) 2.139 5.535 ( 0.000 0.000 61.500) 61.500 7.553 ( -0.000 0.000 -42.323) 42.323 11.943 ( 0.000 0.000 -7.410) 7.410 11.943 ( -0.000 0.000 -7.410) 7.410 12.934 ( -0.000 0.000 76.958) 76.958 14.086 ( -0.000 0.000 4.382) 4.382 14.086 ( 0.000 0.000 4.382) 4.382 15.519 ( 0.000 0.000 -54.475) 54.475 19.088 ( -0.000 -0.000 -0.274) 0.274 19.088 ( 0.000 0.000 -0.274) 0.274 19.212 ( 0.000 0.000 1.573) 1.573 19.250 ( -0.000 -0.000 -0.318) 0.318 ======================= Grid point 901 (146/216) ======================= q-point: ( 0.07 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 14.446 0.000 5.809) 15.570 1.919 ( 38.617 0.000 4.673) 38.898 3.361 ( 27.029 0.000 -5.801) 27.644 3.403 ( 31.804 0.000 -3.518) 31.998 4.292 ( -0.539 0.000 2.046) 2.116 4.528 ( 18.380 0.000 6.388) 19.459 5.710 ( 18.918 0.000 52.159) 55.484 7.576 ( 2.673 0.000 -40.235) 40.324 11.964 ( 1.741 0.000 -7.404) 7.606 12.091 ( 14.039 0.000 -4.003) 14.599 12.956 ( 2.351 0.000 74.185) 74.222 13.806 ( -25.676 0.000 8.021) 26.900 14.107 ( 2.402 0.000 4.389) 5.003 15.509 ( -1.044 0.000 -54.008) 54.018 18.407 ( -41.960 0.000 -2.479) 42.033 19.037 ( -5.076 0.000 -0.262) 5.083 19.397 ( 14.866 0.000 -1.903) 14.987 19.727 ( 23.309 0.000 1.012) 23.331 ======================= Grid point 902 (147/216) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 18.849 0.000 1.941) 18.949 2.763 ( 42.104 0.000 -0.155) 42.104 4.041 ( 39.520 0.000 -3.726) 39.695 4.085 ( 16.395 0.000 0.852) 16.417 4.427 ( 31.841 0.000 -0.810) 31.852 4.847 ( 12.265 0.000 16.877) 20.863 6.275 ( 33.963 0.000 27.203) 43.515 7.692 ( 10.446 0.000 -31.665) 33.344 11.983 ( -0.819 0.000 -7.185) 7.231 12.435 ( 17.677 0.000 13.401) 22.182 13.053 ( 8.492 0.000 59.696) 60.297 13.188 ( -33.454 0.000 12.284) 35.638 14.204 ( 8.019 0.000 4.205) 9.054 15.481 ( -1.458 0.000 -51.941) 51.962 17.502 ( -48.007 0.000 -6.719) 48.475 18.886 ( -10.132 0.000 -0.223) 10.135 19.698 ( 12.914 0.000 -6.308) 14.373 20.109 ( 15.080 0.000 1.594) 15.164 ======================= Grid point 903 (148/216) ======================= q-point: ( 0.21 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 18.517 0.000 0.615) 18.527 3.488 ( 29.156 0.000 -0.371) 29.158 4.102 ( -4.088 0.000 2.329) 4.705 4.828 ( 29.964 0.000 6.914) 30.751 5.101 ( 22.295 0.000 5.021) 22.854 5.433 ( 57.165 0.000 -2.057) 57.202 6.885 ( 25.413 0.000 8.053) 26.658 8.046 ( 24.952 0.000 -12.977) 28.125 11.894 ( -8.877 0.000 -6.441) 10.968 12.458 ( -29.092 0.000 22.419) 36.728 12.754 ( 3.905 0.000 43.449) 43.624 13.361 ( 21.586 0.000 24.089) 32.346 14.451 ( 17.111 0.000 3.505) 17.466 15.464 ( 0.015 0.000 -46.755) 46.755 16.537 ( -47.633 0.000 -13.542) 49.521 18.634 ( -15.128 0.000 -0.154) 15.128 19.861 ( 3.314 0.000 -8.407) 9.037 20.329 ( 6.972 0.000 1.867) 7.217 ======================= Grid point 904 (149/216) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( 16.520 0.000 0.507) 16.528 3.918 ( 15.031 0.000 1.666) 15.123 3.997 ( -6.261 0.000 2.307) 6.673 5.022 ( 0.114 0.000 1.334) 1.339 5.895 ( 45.296 0.000 -0.397) 45.298 6.588 ( 57.957 0.000 -2.364) 58.005 7.330 ( 20.734 0.000 2.891) 20.934 8.607 ( 29.153 0.000 2.692) 29.277 11.616 ( -19.006 0.000 -5.402) 19.758 11.841 ( -30.459 0.000 20.234) 36.568 12.830 ( 2.480 0.000 50.862) 50.922 13.799 ( 18.427 0.000 22.409) 29.013 14.881 ( 25.664 0.000 2.503) 25.786 15.475 ( -1.626 0.000 -35.092) 35.130 15.692 ( -31.575 0.000 -28.277) 42.386 18.284 ( -19.972 0.000 -0.051) 19.972 19.849 ( -3.583 0.000 -9.001) 9.688 20.385 ( -1.304 0.000 1.640) 2.096 ======================= Grid point 905 (150/216) ======================= q-point: ( 0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( 14.221 0.000 0.805) 14.244 3.857 ( -7.752 0.000 2.174) 8.051 4.144 ( 9.111 0.000 0.239) 9.114 4.937 ( -7.895 0.000 -7.189) 10.677 6.758 ( 40.109 0.000 2.058) 40.162 7.712 ( 16.518 0.000 4.330) 17.076 7.717 ( 54.913 0.000 -2.734) 54.981 9.161 ( 26.261 0.000 11.235) 28.564 11.143 ( -28.339 0.000 -4.515) 28.696 11.253 ( -28.674 0.000 20.052) 34.990 12.869 ( 2.055 0.000 40.011) 40.063 13.901 ( -11.202 0.000 31.555) 33.484 15.250 ( -1.092 0.000 -32.070) 32.088 15.449 ( 30.722 0.000 1.637) 30.766 15.592 ( 3.851 0.000 -30.640) 30.881 17.841 ( -24.492 0.000 0.098) 24.492 19.764 ( -3.812 0.000 -8.730) 9.526 20.284 ( -8.473 0.000 0.546) 8.490 ======================= Grid point 906 (151/216) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.268 ( 12.191 0.000 1.209) 12.250 3.689 ( -9.108 0.000 1.937) 9.312 4.320 ( 9.150 0.000 -3.649) 9.851 4.741 ( -11.059 0.000 -8.748) 14.101 7.450 ( 28.434 0.000 3.736) 28.678 7.933 ( 4.525 0.000 5.138) 6.846 8.763 ( 49.906 0.000 -3.088) 50.002 9.664 ( 24.801 0.000 16.480) 29.777 10.496 ( -36.485 0.000 -3.890) 36.692 10.695 ( -27.353 0.000 19.845) 33.794 12.942 ( 6.098 0.000 28.524) 29.168 13.513 ( -21.983 0.000 23.767) 32.374 15.421 ( 12.307 0.000 -22.422) 25.578 15.654 ( 1.355 0.000 -22.600) 22.641 16.082 ( 32.267 0.000 1.021) 32.284 17.313 ( -28.389 0.000 0.306) 28.391 19.738 ( 1.997 0.000 -7.306) 7.574 20.073 ( -11.862 0.000 -1.649) 11.976 ======================= Grid point 907 (152/216) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.494 ( -10.527 0.000 1.606) 10.648 3.494 ( 10.527 0.000 1.606) 10.648 4.519 ( -10.784 0.000 -7.048) 12.883 4.519 ( 10.784 0.000 -7.048) 12.883 7.860 ( -12.235 0.000 4.789) 13.139 7.860 ( 12.235 0.000 4.789) 13.139 9.696 ( -43.666 0.000 -3.448) 43.802 9.696 ( 43.666 0.000 -3.448) 43.802 10.166 ( -25.819 0.000 19.106) 32.119 10.166 ( 25.819 0.000 19.106) 32.119 13.141 ( -14.384 0.000 22.347) 26.576 13.141 ( 14.384 0.000 22.347) 26.576 15.614 ( -5.931 0.000 -19.111) 20.011 15.614 ( 5.931 0.000 -19.111) 20.011 16.717 ( -31.201 0.000 0.600) 31.207 16.717 ( 31.201 0.000 0.600) 31.207 19.853 ( -9.176 0.000 -4.630) 10.278 19.853 ( 9.176 0.000 -4.630) 10.278 ======================= Grid point 916 (153/216) ======================= q-point: ( 0.07 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 532 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 8.663 8.663 11.247) 16.631 2.078 ( 17.566 17.566 -7.185) 25.860 3.682 ( 28.283 28.283 -3.339) 40.138 3.689 ( 26.891 26.891 -2.826) 38.135 4.503 ( 9.834 9.834 4.942) 14.760 4.557 ( 10.518 10.518 6.825) 16.366 5.857 ( 15.788 15.788 45.230) 50.441 7.592 ( 1.934 1.934 -38.523) 38.620 12.084 ( 6.532 6.532 -1.393) 9.342 12.141 ( 9.288 9.288 -7.039) 14.903 12.972 ( 1.821 1.821 71.637) 71.683 13.683 ( -18.810 -18.810 15.054) 30.565 13.936 ( -7.630 -7.630 0.083) 10.790 15.500 ( -1.001 -1.001 -53.664) 53.682 18.369 ( -19.754 -19.754 3.550) 28.161 18.640 ( -10.537 -10.537 -10.170) 18.041 19.713 ( 12.356 12.356 1.763) 17.563 19.815 ( 12.797 12.797 -1.759) 18.182 ======================= Grid point 917 (154/216) ======================= q-point: ( 0.14 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 16.804 0.597 4.019) 17.288 2.605 ( 32.717 -10.100 -7.897) 35.139 4.272 ( 21.716 18.689 1.441) 28.687 4.314 ( 29.324 24.272 -1.780) 38.108 4.721 ( 29.707 23.202 2.004) 37.747 4.873 ( 13.152 3.534 16.255) 21.206 6.342 ( 30.057 7.523 25.544) 40.156 7.683 ( 8.625 -0.722 -31.171) 32.350 12.117 ( -1.533 12.499 -3.110) 12.971 12.466 ( 17.552 2.495 11.190) 20.965 13.023 ( -6.559 -7.927 36.281) 37.712 13.123 ( -20.405 -2.130 39.493) 44.504 13.922 ( 3.995 -23.120 -0.635) 23.471 15.472 ( -1.508 -1.179 -51.922) 51.957 17.652 ( -41.608 10.876 -2.096) 43.057 18.623 ( -1.889 -21.002 -6.505) 22.067 19.869 ( 6.508 13.021 -3.464) 14.963 20.125 ( 13.841 1.725 0.232) 13.950 ======================= Grid point 918 (155/216) ======================= q-point: ( 0.21 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 20.323 -0.692 -0.029) 20.335 3.250 ( 29.165 -19.220 -4.822) 35.260 4.365 ( -0.839 22.981 4.115) 23.362 4.952 ( 16.428 11.960 11.521) 23.360 5.143 ( 29.942 5.745 2.141) 30.564 5.618 ( 50.221 15.564 -0.964) 52.587 6.889 ( 22.758 1.059 7.940) 24.127 7.997 ( 23.199 -4.810 -13.553) 27.295 11.992 ( -11.844 8.616 -4.582) 15.346 12.366 ( -32.823 -10.376 22.556) 41.156 12.752 ( 6.327 -0.798 42.289) 42.767 13.330 ( 18.431 -2.915 29.440) 34.855 14.089 ( 13.003 -26.961 -5.593) 30.451 15.454 ( 0.091 -1.715 -47.297) 47.328 16.834 ( -38.614 23.233 -6.525) 45.534 18.496 ( -10.626 -12.543 -3.611) 16.831 19.954 ( 1.376 8.332 -6.912) 10.913 20.333 ( 6.761 0.376 0.976) 6.841 ======================= Grid point 919 (156/216) ======================= q-point: ( 0.29 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( 19.826 3.803 0.419) 20.191 3.708 ( 16.953 -14.821 -3.236) 22.750 4.314 ( -4.099 24.857 6.542) 26.028 5.057 ( -0.094 4.505 2.082) 4.964 5.928 ( 41.637 3.615 -0.205) 41.794 6.634 ( 51.336 4.353 -1.852) 51.553 7.288 ( 19.028 -3.931 2.647) 19.609 8.535 ( 28.404 -7.157 1.961) 29.357 11.630 ( -24.653 -1.879 -1.621) 24.777 11.733 ( -29.587 -9.624 17.202) 35.552 12.832 ( 2.235 -0.297 52.032) 52.081 13.645 ( 9.326 -15.788 25.863) 31.704 14.444 ( 22.278 -21.277 -15.711) 34.581 15.485 ( 2.908 -2.779 -39.559) 39.763 16.204 ( -21.980 35.159 -8.488) 42.324 18.216 ( -17.058 -6.397 -1.904) 18.317 19.925 ( -3.702 7.238 -8.252) 11.584 20.390 ( -0.951 0.577 0.961) 1.470 ======================= Grid point 920 (157/216) ======================= q-point: ( 0.36 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.125 ( 17.429 10.132 1.953) 20.254 3.952 ( 7.345 -0.293 -3.904) 8.323 4.221 ( -3.593 16.185 7.185) 18.069 4.972 ( -8.097 4.475 -7.597) 11.971 6.728 ( 37.713 -2.598 1.637) 37.838 7.643 ( 30.424 -5.906 3.269) 31.163 7.660 ( 36.353 -6.155 -1.245) 36.891 9.076 ( 25.673 -8.329 10.144) 28.833 11.056 ( -31.481 -11.132 4.601) 33.707 11.159 ( -29.354 -8.890 10.604) 32.452 12.862 ( 1.314 -0.647 42.052) 42.078 13.629 ( -10.143 -21.847 25.678) 35.207 14.922 ( 23.913 -11.440 -20.544) 33.537 15.554 ( 3.550 -3.792 -31.339) 31.767 16.042 ( 5.788 34.470 -3.354) 35.113 17.828 ( -21.748 -1.357 -0.740) 21.803 19.841 ( -3.754 7.497 -8.334) 11.822 20.301 ( -7.686 1.733 0.017) 7.879 ======================= Grid point 921 (158/216) ======================= q-point: ( 0.43 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.446 ( 14.784 15.882 3.557) 21.987 3.928 ( -8.263 22.359 3.572) 24.103 4.288 ( 9.391 -3.081 -3.810) 10.593 4.763 ( -12.144 3.071 -9.992) 16.023 7.389 ( 27.597 -5.915 3.189) 28.403 7.867 ( 4.396 -6.548 4.934) 9.303 8.640 ( 48.032 -11.945 -2.419) 49.554 9.566 ( 23.952 -9.680 14.884) 29.815 10.369 ( -37.713 -13.367 -0.852) 40.021 10.584 ( -27.764 -11.577 16.228) 34.179 12.911 ( 4.394 -2.494 30.216) 30.635 13.340 ( -16.095 -13.795 22.133) 30.646 15.334 ( 16.481 -6.158 -19.876) 26.544 15.608 ( 1.087 -4.179 -23.671) 24.062 16.349 ( 22.196 21.478 1.171) 30.908 17.359 ( -25.031 4.117 0.309) 25.370 19.812 ( 1.494 7.204 -7.166) 10.270 20.109 ( -10.777 3.601 -2.006) 11.538 ======================= Grid point 922 (159/216) ======================= q-point: (-0.50 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.716 ( -12.318 20.509 4.661) 24.374 3.716 ( 12.318 20.509 4.661) 24.374 4.513 ( -12.436 -0.131 -8.644) 15.146 4.513 ( 12.436 -0.131 -8.644) 15.146 7.792 ( -12.241 -6.708 4.356) 14.622 7.792 ( 12.241 -6.708 4.356) 14.622 9.553 ( -43.258 -14.075 -2.503) 45.559 9.553 ( 43.258 -14.075 -2.503) 45.559 10.058 ( -24.992 -11.221 17.353) 32.429 10.058 ( 24.992 -11.221 17.353) 32.429 13.062 ( -10.994 -6.532 23.087) 26.392 13.062 ( 10.994 -6.532 23.087) 26.392 15.562 ( -6.435 -4.629 -19.645) 21.184 15.562 ( 6.435 -4.629 -19.645) 21.184 16.844 ( -26.223 11.171 1.301) 28.533 16.844 ( 26.223 11.171 1.301) 28.533 19.911 ( -8.144 5.716 -4.756) 11.028 19.911 ( 8.144 5.716 -4.756) 11.028 ======================= Grid point 932 (160/216) ======================= q-point: ( 0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 8.351 8.351 7.466) 13.972 2.558 ( 7.633 7.633 -17.957) 20.952 4.696 ( 18.566 18.566 5.568) 26.840 4.827 ( 20.247 20.247 1.751) 28.687 5.131 ( 22.638 22.638 6.486) 32.666 5.145 ( 24.387 24.387 10.654) 36.096 6.612 ( 19.154 19.154 18.970) 33.069 7.686 ( 2.234 2.234 -28.019) 28.197 12.394 ( 7.861 7.861 14.846) 18.547 12.478 ( 0.394 0.394 -3.688) 3.729 12.650 ( -27.696 -27.696 28.489) 48.433 13.143 ( 2.815 2.815 58.304) 58.440 13.582 ( -4.404 -4.404 -13.432) 14.805 15.435 ( -2.322 -2.322 -51.166) 51.271 17.680 ( -13.858 -13.858 10.137) 22.064 18.285 ( -7.673 -7.673 -18.432) 21.389 20.094 ( 6.917 6.917 -1.306) 9.869 20.194 ( 6.466 6.466 -2.771) 9.555 ======================= Grid point 933 (161/216) ======================= q-point: ( 0.21 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 19.223 -0.531 1.779) 19.313 2.887 ( 22.785 -13.955 -13.352) 29.869 4.888 ( 5.002 26.401 7.551) 27.911 5.183 ( 7.811 10.116 12.624) 17.965 5.464 ( 25.478 26.913 1.616) 37.095 5.929 ( 42.137 13.460 1.845) 44.273 6.979 ( 14.103 9.461 7.063) 18.393 7.860 ( 17.287 -8.538 -14.675) 24.231 11.985 ( -34.281 -24.585 18.035) 45.879 12.135 ( -24.927 -4.040 1.464) 25.295 12.673 ( 9.108 -5.442 38.547) 39.980 13.259 ( 7.017 -2.009 43.625) 44.231 13.761 ( 19.567 -1.402 -19.265) 27.496 15.395 ( -1.288 -3.938 -47.990) 48.169 17.232 ( -25.067 13.134 5.955) 28.919 18.210 ( -4.390 -13.897 -12.259) 19.044 20.146 ( -0.100 9.876 -4.756) 10.962 20.344 ( 6.227 0.720 -1.321) 6.407 ======================= Grid point 934 (162/216) ======================= q-point: ( 0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 984 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( 25.601 -1.510 1.100) 25.669 3.363 ( 23.328 -18.284 -9.282) 31.058 4.903 ( -4.184 31.268 11.802) 33.681 5.249 ( 1.003 15.529 2.759) 15.804 6.058 ( 31.584 9.968 0.609) 33.125 6.743 ( 39.155 5.752 -0.131) 39.575 7.200 ( 11.316 -3.560 0.713) 11.884 8.326 ( 26.381 -13.763 0.718) 29.764 11.310 ( -33.031 -26.294 17.261) 45.611 11.543 ( -33.395 -17.086 -1.969) 37.564 12.805 ( 4.351 -1.039 49.680) 49.881 13.346 ( 0.895 -7.995 29.375) 30.457 14.255 ( 27.734 -0.392 -20.605) 34.553 15.395 ( 1.385 -5.910 -41.408) 41.851 16.811 ( -15.488 23.903 3.328) 28.676 18.056 ( -10.986 -8.786 -6.720) 15.590 20.110 ( -3.150 10.533 -6.787) 12.920 20.410 ( 0.196 1.338 -0.782) 1.563 ======================= Grid point 935 (163/216) ======================= q-point: ( 0.36 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.297 ( 25.078 4.510 4.469) 25.870 3.794 ( 20.289 -12.091 -9.014) 25.280 4.744 ( -10.906 29.843 13.589) 34.558 5.188 ( -7.933 19.487 -7.344) 22.285 6.682 ( 30.306 -1.321 1.158) 30.357 7.471 ( 15.423 -11.941 1.565) 19.568 7.512 ( 38.042 -7.007 0.717) 38.689 8.835 ( 24.018 -15.909 8.215) 29.957 10.663 ( -32.806 -27.310 11.639) 44.244 10.848 ( -34.985 -24.138 1.501) 42.530 12.856 ( 1.216 0.975 44.209) 44.236 13.287 ( -6.481 -8.961 23.152) 25.658 14.796 ( 25.224 -2.916 -20.661) 32.736 15.443 ( 3.060 -7.256 -32.959) 33.887 16.653 ( -0.133 25.617 3.942) 25.918 17.787 ( -15.657 -2.549 -3.090) 16.161 20.041 ( -3.183 11.814 -7.332) 14.264 20.354 ( -5.441 3.614 -1.303) 6.661 ======================= Grid point 936 (164/216) ======================= q-point: ( 0.43 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 984 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.758 ( 21.051 11.071 8.194) 25.157 4.180 ( 17.574 -5.502 -8.863) 20.438 4.497 ( -12.467 29.551 10.825) 33.851 4.948 ( -15.373 18.630 -10.677) 26.409 7.234 ( 24.218 -8.928 2.058) 25.894 7.678 ( 4.225 -12.405 3.684) 13.613 8.317 ( 41.686 -19.340 -0.598) 45.958 9.283 ( 21.441 -18.967 12.547) 31.255 9.953 ( -38.569 -27.437 1.442) 47.354 10.218 ( -27.795 -25.037 11.175) 39.042 12.880 ( 1.919 0.339 33.161) 33.219 13.119 ( -9.286 -6.061 22.002) 24.638 15.219 ( 16.594 -5.530 -20.526) 26.967 15.491 ( 0.923 -7.573 -25.564) 26.678 16.783 ( 12.130 20.175 4.530) 23.972 17.449 ( -17.959 4.309 -0.034) 18.469 20.009 ( 0.540 11.998 -6.641) 13.724 20.214 ( -7.896 6.856 -2.811) 10.828 ======================= Grid point 937 (165/216) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.136 ( -16.681 13.330 10.282) 23.700 4.136 ( 16.681 13.330 10.282) 23.700 4.608 ( -17.877 15.661 -10.811) 26.110 4.608 ( 17.877 15.661 -10.811) 26.110 7.603 ( -11.775 -11.921 3.018) 17.025 7.603 ( 11.775 -11.921 3.018) 17.025 9.149 ( -41.271 -26.179 -0.292) 48.875 9.149 ( 41.271 -26.179 -0.292) 48.875 9.720 ( -22.708 -21.776 13.443) 34.214 9.720 ( 22.708 -21.776 13.443) 34.214 12.958 ( -6.214 -2.340 25.021) 25.887 12.958 ( 6.214 -2.340 25.021) 25.887 15.445 ( -6.299 -7.053 -21.430) 23.423 15.445 ( 6.299 -7.053 -21.430) 23.423 17.089 ( -17.524 12.101 2.821) 21.482 17.089 ( 17.524 12.101 2.821) 21.482 20.072 ( -5.637 10.121 -4.892) 12.575 20.072 ( 5.637 10.121 -4.892) 12.575 ======================= Grid point 948 (166/216) ======================= q-point: ( 0.21 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 532 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 9.674 9.674 2.324) 13.877 2.790 ( 5.188 5.188 -16.391) 17.959 5.303 ( 14.107 14.107 11.603) 23.079 5.429 ( 13.702 13.702 8.893) 21.321 6.014 ( 18.832 18.832 7.693) 27.721 6.210 ( 24.030 24.030 -2.032) 34.045 7.244 ( 11.920 11.920 7.052) 18.273 7.716 ( -1.331 -1.331 -14.162) 14.287 11.372 ( -34.163 -34.163 19.707) 52.179 11.720 ( -33.210 -33.210 -3.620) 47.106 12.725 ( 7.888 7.888 42.620) 44.056 13.291 ( 3.277 3.277 44.785) 45.024 13.942 ( 16.448 16.448 -24.232) 33.589 15.314 ( -3.748 -3.748 -47.177) 47.474 17.295 ( -5.604 -5.604 15.049) 17.008 18.012 ( -6.099 -6.099 -17.687) 19.678 20.304 ( 4.220 4.220 -3.850) 7.102 20.369 ( 2.927 2.927 -3.365) 5.335 ======================= Grid point 949 (167/216) ======================= q-point: ( 0.29 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 23.794 -0.634 1.062) 23.826 3.063 ( 20.407 -9.717 -12.440) 25.799 5.447 ( -1.855 22.944 12.942) 26.408 5.645 ( 9.586 20.612 6.524) 23.649 6.321 ( 17.423 15.126 4.285) 23.467 6.820 ( 30.866 2.289 0.147) 30.951 7.240 ( -6.409 9.508 -2.443) 11.723 7.988 ( 22.890 -20.011 0.139) 30.404 10.688 ( -33.679 -34.256 15.102) 50.357 10.981 ( -39.094 -36.419 -2.910) 53.508 12.870 ( 5.704 7.088 47.364) 48.230 13.324 ( -0.824 2.825 37.166) 37.283 14.337 ( 21.846 7.392 -26.370) 35.032 15.262 ( -1.093 -6.969 -43.007) 43.582 17.133 ( -7.851 8.791 13.056) 17.589 17.901 ( -6.472 -6.285 -11.855) 14.898 20.315 ( -1.266 9.398 -5.513) 10.969 20.441 ( 2.260 1.666 -2.694) 3.891 ======================= Grid point 950 (168/216) ======================= q-point: ( 0.36 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.283 ( 28.876 -4.153 3.297) 29.359 3.535 ( 25.813 -12.799 -9.611) 30.372 5.290 ( -11.490 25.260 10.348) 29.617 5.735 ( -3.552 31.325 3.720) 31.744 6.694 ( 19.141 2.112 3.368) 19.549 7.207 ( 6.585 -12.910 -2.274) 14.670 7.396 ( 25.772 -4.240 1.540) 26.164 8.440 ( 20.935 -23.652 6.986) 32.349 10.034 ( -32.709 -33.729 7.898) 47.643 10.220 ( -35.535 -36.767 1.624) 51.159 12.940 ( 1.464 7.425 43.397) 44.052 13.251 ( -6.112 3.173 29.159) 29.962 14.764 ( 19.955 -0.987 -25.584) 32.461 15.272 ( 1.744 -9.670 -35.500) 36.835 17.045 ( -0.397 13.912 10.680) 17.544 17.737 ( -9.822 -2.224 -5.831) 11.637 20.281 ( -1.716 11.663 -6.065) 13.258 20.440 ( -2.158 4.805 -2.718) 5.927 ======================= Grid point 951 (169/216) ======================= q-point: ( 0.43 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.812 ( 23.188 -3.927 3.404) 23.763 4.033 ( 20.968 -9.255 -4.665) 23.389 5.066 ( -8.258 26.980 6.848) 29.035 5.501 ( -17.823 32.659 1.950) 37.257 7.062 ( 17.111 -8.037 2.407) 19.057 7.372 ( 5.491 -17.955 -0.917) 18.799 7.928 ( 29.017 -18.013 2.232) 34.226 8.785 ( 11.636 -31.252 10.964) 35.104 9.376 ( -30.384 -27.743 0.461) 41.147 9.629 ( -23.994 -32.404 8.799) 41.269 12.951 ( 0.523 6.848 34.112) 34.797 13.109 ( -7.327 4.035 25.258) 26.607 15.099 ( 13.170 -6.823 -24.028) 28.237 15.307 ( 0.994 -10.725 -28.162) 30.151 17.115 ( 6.932 12.906 8.036) 16.709 17.522 ( -11.437 3.017 -0.767) 11.853 20.262 ( 0.111 12.703 -5.668) 13.910 20.371 ( -4.260 8.491 -3.470) 10.114 ======================= Grid point 952 (170/216) ======================= q-point: (-0.50 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.164 ( -9.347 -5.517 1.468) 10.952 4.164 ( 9.347 -5.517 1.468) 10.952 5.131 ( -15.473 29.757 2.391) 33.625 5.131 ( 15.473 29.757 2.391) 33.625 7.335 ( -8.985 -14.410 0.788) 17.000 7.335 ( 8.985 -14.410 0.788) 17.000 8.545 ( -30.803 -32.639 2.965) 44.977 8.545 ( 30.803 -32.639 2.965) 44.977 9.246 ( -13.963 -24.496 9.117) 29.633 9.246 ( 13.963 -24.496 9.117) 29.633 12.991 ( -3.965 5.446 26.902) 27.733 12.991 ( 3.965 5.446 26.902) 27.733 15.277 ( -4.772 -9.895 -24.231) 26.605 15.277 ( 4.772 -9.895 -24.231) 26.605 17.297 ( -10.745 8.476 4.002) 14.259 17.297 ( 10.745 8.476 4.002) 14.259 20.293 ( -3.013 11.547 -4.639) 12.804 20.293 ( 3.013 11.547 -4.639) 12.804 ======================= Grid point 964 (171/216) ======================= q-point: ( 0.29 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( 12.791 12.791 -0.809) 18.107 3.034 ( 7.297 7.297 -10.109) 14.446 5.851 ( 13.001 13.001 11.956) 21.932 5.914 ( 9.489 9.489 8.308) 15.784 6.561 ( 8.241 8.241 12.297) 16.942 6.972 ( 14.275 14.275 -5.750) 20.991 7.538 ( 2.827 2.827 1.588) 4.302 7.557 ( -6.566 -6.566 -1.588) 9.420 10.009 ( -32.889 -32.889 9.536) 47.480 10.202 ( -39.866 -39.866 -1.179) 56.391 13.024 ( 6.946 6.946 48.439) 49.425 13.376 ( 1.108 1.108 38.306) 38.338 14.521 ( 10.598 10.598 -31.970) 35.309 15.137 ( -5.049 -5.049 -42.663) 43.256 17.212 ( 1.083 1.083 16.033) 16.106 17.800 ( -4.501 -4.501 -11.104) 12.799 20.464 ( 3.977 3.977 -5.315) 7.739 20.473 ( 2.712 2.712 -3.199) 4.994 ======================= Grid point 965 (172/216) ======================= q-point: ( 0.36 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.230 ( 23.595 0.930 -1.558) 23.665 3.335 ( 21.970 -5.875 -5.923) 23.501 5.757 ( -11.883 21.122 8.039) 25.533 6.254 ( 13.343 15.143 12.075) 23.519 6.654 ( -0.245 -6.637 12.683) 14.317 7.118 ( -7.053 7.079 -7.938) 12.762 7.354 ( 13.422 0.061 0.978) 13.457 7.914 ( 16.094 -27.779 5.087) 32.505 9.392 ( -29.834 -29.746 2.470) 42.202 9.471 ( -30.850 -36.384 3.800) 47.853 13.116 ( 2.195 9.082 43.686) 44.674 13.345 ( -4.138 4.890 33.511) 34.118 14.744 ( 11.269 -0.935 -31.778) 33.730 15.076 ( -1.096 -9.395 -38.068) 39.226 17.236 ( 2.104 6.273 13.554) 15.083 17.699 ( -5.903 -1.856 -6.100) 8.689 20.484 ( 0.440 8.262 -4.514) 9.425 20.536 ( 1.436 4.588 -3.820) 6.140 ======================= Grid point 966 (173/216) ======================= q-point: ( 0.43 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 984 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.693 ( 21.543 -6.563 -3.644) 22.814 3.820 ( 21.940 -11.213 -0.959) 24.658 5.528 ( -7.540 17.896 7.071) 20.667 6.083 ( -24.432 21.343 13.980) 35.325 6.822 ( 15.442 -17.848 4.889) 24.102 7.110 ( 2.156 -3.207 -5.347) 6.597 7.648 ( 14.713 -9.764 3.669) 18.035 8.114 ( 1.763 -32.708 7.768) 33.664 8.882 ( -17.188 -22.503 1.561) 28.359 9.004 ( -17.214 -28.447 6.284) 33.838 13.128 ( -0.093 9.982 34.467) 35.883 13.237 ( -5.771 7.749 28.247) 29.853 14.945 ( 8.280 -8.467 -28.539) 30.899 15.077 ( 0.370 -11.942 -31.404) 33.600 17.307 ( 5.033 6.966 9.407) 12.741 17.568 ( -7.045 1.549 -0.776) 7.255 20.492 ( 0.567 9.975 -4.292) 10.874 20.536 ( -1.014 7.760 -3.730) 8.669 ======================= Grid point 967 (174/216) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.002 ( -5.819 -10.143 -2.270) 11.911 4.002 ( 5.819 -10.143 -2.270) 11.911 5.614 ( -17.438 15.534 9.924) 25.375 5.614 ( 17.438 15.534 9.924) 25.375 7.067 ( -7.556 -10.788 0.301) 13.174 7.067 ( 7.556 -10.788 0.301) 13.174 7.952 ( -14.882 -24.326 4.803) 28.919 7.952 ( 14.882 -24.326 4.803) 28.919 8.780 ( -4.879 -21.727 6.035) 23.071 8.780 ( 4.879 -21.727 6.035) 23.071 13.148 ( -2.647 9.377 28.107) 29.748 13.148 ( 2.647 9.377 28.107) 29.748 15.057 ( -2.984 -11.779 -27.689) 30.238 15.057 ( 2.984 -11.779 -27.689) 30.238 17.428 ( -6.788 4.832 4.457) 9.450 17.428 ( 6.788 4.832 4.457) 9.450 20.510 ( -1.272 9.812 -3.944) 10.651 20.510 ( 1.272 9.812 -3.944) 10.651 ======================= Grid point 980 (175/216) ======================= q-point: ( 0.36 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 532 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.339 ( 7.073 7.073 -3.321) 10.540 3.365 ( 11.858 11.858 -3.556) 17.142 6.048 ( -4.622 -4.622 8.371) 10.621 6.184 ( -2.806 -2.806 1.632) 4.291 6.662 ( 0.795 0.795 27.197) 27.221 7.270 ( -5.879 -5.879 6.209) 10.377 7.380 ( 6.838 6.838 -4.617) 10.716 7.529 ( -1.384 -1.384 -2.107) 2.876 8.822 ( -25.895 -25.895 5.417) 37.019 8.892 ( -21.621 -21.621 -0.116) 30.578 13.261 ( 4.801 4.801 41.018) 41.576 13.406 ( 0.706 0.706 33.505) 33.520 14.741 ( 1.101 1.101 -34.575) 34.610 14.923 ( -5.449 -5.449 -38.013) 38.786 17.332 ( 4.074 4.074 11.927) 13.245 17.652 ( -2.965 -2.965 -3.304) 5.338 20.600 ( 3.610 3.610 -2.635) 5.745 20.621 ( 3.762 3.762 -4.765) 7.142 ======================= Grid point 981 (176/216) ======================= q-point: ( 0.43 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 980 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.567 ( 14.025 -5.928 -3.115) 15.542 3.654 ( 14.010 -4.074 -3.212) 14.940 5.729 ( -13.959 1.652 5.689) 15.164 6.044 ( -20.027 -21.949 8.428) 30.885 6.735 ( 10.762 8.374 18.540) 23.014 7.128 ( -5.725 1.136 6.605) 8.815 7.536 ( 6.558 -1.657 1.224) 6.874 7.622 ( 4.101 -13.572 -0.062) 14.178 8.463 ( -9.784 -18.311 6.086) 21.635 8.554 ( -12.331 -17.069 0.359) 21.060 13.309 ( 0.755 7.296 33.803) 34.590 13.377 ( -2.870 5.474 29.598) 30.237 14.786 ( 2.870 -6.696 -32.325) 33.135 14.859 ( -1.507 -9.143 -34.031) 35.271 17.412 ( 4.097 3.957 8.422) 10.167 17.581 ( -4.056 -0.206 0.475) 4.089 20.651 ( 1.728 5.958 -2.776) 6.796 20.669 ( 1.136 5.423 -3.741) 6.685 ======================= Grid point 982 (177/216) ======================= q-point: (-0.50 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.779 ( -3.721 -11.629 -3.516) 12.706 3.779 ( 3.721 -11.629 -3.516) 12.706 5.677 ( -10.480 -7.636 8.430) 15.467 5.677 ( 10.480 -7.636 8.430) 15.467 6.970 ( -10.613 0.412 11.067) 15.339 6.970 ( 10.613 0.412 11.067) 15.339 7.632 ( -2.752 -7.813 1.571) 8.431 7.632 ( 2.752 -7.813 1.571) 8.431 8.403 ( -2.763 -15.627 3.850) 16.330 8.403 ( 2.763 -15.627 3.850) 16.330 13.326 ( -1.648 7.640 28.521) 29.572 13.326 ( 1.648 7.640 28.521) 29.572 14.834 ( -1.659 -9.863 -31.016) 32.589 14.834 ( 1.659 -9.863 -31.016) 32.589 17.496 ( -4.333 2.259 4.453) 6.611 17.496 ( 4.333 2.259 4.453) 6.611 20.673 ( -0.562 6.432 -3.082) 7.155 20.673 ( 0.562 6.432 -3.082) 7.155 ======================= Grid point 996 (178/216) ======================= q-point: ( 0.43 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.510 ( 0.833 0.833 -1.021) 1.559 3.619 ( -1.028 -1.028 -5.743) 5.925 5.611 ( -14.521 -14.521 4.978) 21.130 5.624 ( -12.182 -12.182 4.194) 17.731 6.879 ( 5.979 5.979 25.452) 26.820 7.095 ( -3.730 -3.730 17.786) 18.551 7.550 ( 2.181 2.181 -2.350) 3.878 7.562 ( 2.710 2.710 -2.894) 4.803 8.208 ( -7.017 -7.017 5.075) 11.146 8.291 ( -9.609 -9.609 -0.032) 13.590 13.403 ( 2.395 2.395 30.304) 30.493 13.437 ( 0.698 0.698 28.183) 28.201 14.699 ( -2.043 -2.043 -32.837) 32.964 14.731 ( -3.830 -3.830 -33.643) 34.076 17.477 ( 2.715 2.715 6.453) 7.508 17.563 ( -1.534 -1.534 2.300) 3.162 20.736 ( 2.795 2.795 -2.239) 4.542 20.747 ( 2.354 2.354 -3.029) 4.501 ======================= Grid point 997 (179/216) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 560 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.571 ( -3.843 -8.248 -3.346) 9.695 3.571 ( 3.843 -8.248 -3.346) 9.695 5.467 ( -1.972 -9.886 4.289) 10.956 5.467 ( 1.972 -9.886 4.289) 10.956 6.997 ( -5.760 1.046 22.378) 23.131 6.997 ( 5.760 1.046 22.378) 23.131 7.590 ( -0.596 1.449 -1.846) 2.422 7.590 ( 0.596 1.449 -1.846) 2.422 8.169 ( -2.517 -7.799 2.265) 8.502 8.169 ( 2.517 -7.799 2.265) 8.502 13.430 ( -0.828 2.708 27.126) 27.274 13.430 ( 0.828 2.708 27.126) 27.274 14.690 ( -0.746 -4.421 -32.153) 32.464 14.690 ( 0.746 -4.421 -32.153) 32.464 17.525 ( -2.180 0.761 4.330) 4.907 17.525 ( 2.180 0.761 4.330) 4.907 20.766 ( -0.306 2.985 -2.394) 3.838 20.766 ( 0.306 2.985 -2.394) 3.838 ======================= Grid point 1019 (180/216) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.484 ( 0.000 0.000 -3.010) 3.010 3.484 ( 0.000 0.000 -3.010) 3.010 5.361 ( 0.000 0.000 2.940) 2.940 5.361 ( 0.000 0.000 2.940) 2.940 7.006 ( 0.000 0.000 24.981) 24.981 7.006 ( 0.000 0.000 24.981) 24.981 7.615 ( 0.000 0.000 -1.924) 1.924 7.615 ( 0.000 0.000 -1.924) 1.924 8.092 ( -0.000 -0.000 1.733) 1.733 8.092 ( 0.000 0.000 1.733) 1.733 13.452 ( 0.000 0.000 25.630) 25.630 13.452 ( 0.000 0.000 25.630) 25.630 14.649 ( 0.000 0.000 -31.682) 31.682 14.649 ( 0.000 0.000 -31.682) 31.682 17.532 ( 0.000 0.000 4.273) 4.273 17.532 ( 0.000 0.000 4.273) 4.273 20.796 ( 0.000 0.000 -2.133) 2.133 20.796 ( 0.000 0.000 -2.133) 2.133 ======================= Grid point 1125 (181/216) ======================= 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 3.43e-04 3.43e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 0.000 0.000 0.000) 0.000 1.561 ( -0.000 -0.000 0.000) 0.000 3.014 ( -0.000 0.000 0.000) 0.000 3.014 ( 0.000 0.000 0.000) 0.000 4.322 ( -0.000 -0.000 0.000) 0.000 4.322 ( -0.000 -0.000 0.000) 0.000 6.637 ( -0.000 -0.000 -52.367) 52.367 6.637 ( -0.000 -0.000 52.367) 52.367 11.870 ( 0.000 0.000 0.000) 0.000 11.870 ( 0.000 0.000 0.000) 0.000 14.129 ( 0.000 0.000 0.000) 0.000 14.129 ( -0.000 -0.000 0.000) 0.000 14.338 ( 0.000 0.000 -67.461) 67.461 14.338 ( 0.000 0.000 67.461) 67.461 19.085 ( -0.000 -0.000 0.000) 0.000 19.085 ( 0.000 0.000 0.000) 0.000 19.237 ( 0.000 0.000 -0.993) 0.993 19.237 ( 0.000 0.000 0.993) 0.993 ======================= Grid point 1127 (182/216) ======================= q-point: ( 0.07 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 3.43e-04 3.43e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 11.922 0.000 0.000) 11.922 1.966 ( 35.416 0.000 0.000) 35.416 3.303 ( 27.039 0.000 0.000) 27.039 3.367 ( 33.075 0.000 0.000) 33.075 4.312 ( -0.680 0.000 0.000) 0.680 4.578 ( 22.065 0.000 0.000) 22.065 6.668 ( 3.189 0.000 0.000) 3.189 6.750 ( 12.313 0.000 -0.000) 12.313 11.892 ( 1.764 0.000 0.000) 1.764 12.043 ( 16.734 0.000 0.000) 16.734 13.874 ( -23.113 0.000 0.000) 23.113 14.150 ( 2.391 0.000 0.000) 2.391 14.303 ( -4.065 0.000 0.000) 4.065 14.378 ( 4.047 0.000 -0.000) 4.047 18.382 ( -43.615 0.000 0.000) 43.615 19.034 ( -5.063 0.000 0.000) 5.063 19.381 ( 12.592 0.000 0.000) 12.592 19.738 ( 23.709 0.000 0.000) 23.709 ======================= Grid point 1129 (183/216) ======================= q-point: ( 0.14 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 3.43e-04 3.43e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 17.647 0.000 0.000) 17.647 2.761 ( 40.602 0.000 0.000) 40.602 4.001 ( 41.265 0.000 0.000) 41.265 4.093 ( 20.098 0.000 0.000) 20.098 4.420 ( 28.521 0.000 0.000) 28.521 4.994 ( 15.599 0.000 0.000) 15.599 6.774 ( 7.946 0.000 0.000) 7.946 7.174 ( 30.404 0.000 -0.000) 30.404 11.913 ( -0.603 0.000 0.000) 0.603 12.497 ( 27.636 0.000 0.000) 27.636 13.305 ( -31.936 0.000 0.000) 31.936 14.180 ( -7.830 0.000 0.000) 7.830 14.245 ( 7.825 0.000 0.000) 7.825 14.500 ( 8.249 0.000 -0.000) 8.249 17.434 ( -50.789 0.000 0.000) 50.789 18.883 ( -10.106 0.000 0.000) 10.106 19.640 ( 11.290 0.000 0.000) 11.290 20.125 ( 15.295 0.000 0.000) 15.295 ======================= Grid point 1131 (184/216) ======================= q-point: ( 0.21 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 3.43e-04 3.43e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 18.267 0.000 0.000) 18.267 3.479 ( 29.896 0.000 0.000) 29.896 4.126 ( -4.061 0.000 0.000) 4.061 4.868 ( 40.354 0.000 0.000) 40.354 5.176 ( 7.904 0.000 0.000) 7.904 5.412 ( 57.056 0.000 0.000) 57.056 7.001 ( 15.129 0.000 0.000) 15.129 7.888 ( 38.607 0.000 -0.000) 38.607 11.830 ( -8.409 0.000 0.000) 8.409 12.657 ( -32.169 0.000 0.000) 32.169 13.079 ( 27.994 0.000 0.000) 27.994 14.028 ( -5.434 0.000 0.000) 5.434 14.485 ( 16.665 0.000 0.000) 16.665 14.703 ( 11.897 0.000 -0.000) 11.897 16.395 ( -52.587 0.000 0.000) 52.587 18.632 ( -15.085 0.000 0.000) 15.085 19.782 ( 2.651 0.000 0.000) 2.651 20.348 ( 7.014 0.000 0.000) 7.014 ======================= Grid point 1133 (185/216) ======================= q-point: ( 0.29 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 3.43e-04 3.43e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( 16.610 0.000 0.000) 16.610 3.926 ( 15.429 0.000 0.000) 15.429 4.020 ( -6.304 0.000 0.000) 6.304 5.034 ( -6.244 0.000 0.000) 6.244 5.892 ( 46.664 0.000 0.000) 46.664 6.565 ( 57.773 0.000 0.000) 57.773 7.366 ( 20.501 0.000 0.000) 20.501 8.631 ( 35.002 0.000 0.000) 35.002 11.563 ( -18.514 0.000 0.000) 18.514 12.033 ( -30.285 0.000 0.000) 30.285 13.417 ( 1.932 0.000 0.000) 1.932 14.147 ( 20.902 0.000 0.000) 20.902 14.906 ( 25.187 0.000 0.000) 25.187 14.960 ( 13.487 0.000 -0.000) 13.487 15.376 ( -48.895 0.000 -0.000) 48.895 18.283 ( -19.910 0.000 0.000) 19.910 19.762 ( -3.762 0.000 0.000) 3.762 20.402 ( -1.601 0.000 0.000) 1.601 ======================= Grid point 1135 (186/216) ======================= 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 3.43e-04 3.43e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.014 ( 14.412 0.000 0.000) 14.412 3.879 ( -7.844 0.000 0.000) 7.844 4.140 ( 7.568 0.000 0.000) 7.568 4.863 ( -10.111 0.000 0.000) 10.111 6.779 ( 41.099 0.000 0.000) 41.099 7.689 ( 54.729 0.000 0.000) 54.729 7.757 ( 17.054 0.000 0.000) 17.054 9.273 ( 29.656 0.000 0.000) 29.656 11.098 ( -27.969 0.000 0.000) 27.969 11.448 ( -28.566 0.000 0.000) 28.566 13.328 ( -6.275 0.000 0.000) 6.275 14.480 ( -40.291 0.000 0.000) 40.291 14.679 ( 27.733 0.000 -0.000) 27.733 15.217 ( 11.624 0.000 -0.000) 11.624 15.465 ( 30.359 0.000 0.000) 30.359 17.841 ( -24.404 0.000 0.000) 24.404 19.677 ( -3.499 0.000 0.000) 3.499 20.290 ( -9.292 0.000 0.000) 9.292 ======================= Grid point 1137 (187/216) ======================= q-point: ( 0.43 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 3.43e-04 3.43e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.280 ( 12.397 0.000 0.000) 12.397 3.708 ( -9.250 0.000 0.000) 9.250 4.279 ( 7.216 0.000 0.000) 7.216 4.651 ( -10.848 0.000 -0.000) 10.848 7.487 ( 29.065 0.000 0.000) 29.065 7.984 ( 4.517 0.000 0.000) 4.517 8.732 ( 49.732 0.000 0.000) 49.732 9.830 ( 26.812 0.000 0.000) 26.812 10.457 ( -36.228 0.000 0.000) 36.228 10.893 ( -27.328 0.000 0.000) 27.328 13.258 ( 0.563 0.000 0.000) 0.563 13.798 ( -27.720 0.000 0.000) 27.720 15.155 ( 18.765 0.000 -0.000) 18.765 15.394 ( 5.363 0.000 -0.000) 5.363 16.092 ( 32.016 0.000 0.000) 32.016 17.316 ( -28.266 0.000 0.000) 28.266 19.665 ( 3.039 0.000 0.000) 3.039 20.056 ( -13.229 0.000 0.000) 13.229 ======================= Grid point 1139 (188/216) ======================= q-point: (-0.50 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 3.43e-04 3.43e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.510 ( -10.711 0.000 0.000) 10.711 3.510 ( 10.711 0.000 0.000) 10.711 4.445 ( -9.532 0.000 0.000) 9.532 4.445 ( 9.532 0.000 0.000) 9.532 7.907 ( -12.601 0.000 0.000) 12.601 7.907 ( 12.601 0.000 0.000) 12.601 9.662 ( -43.473 0.000 0.000) 43.473 9.662 ( 43.473 0.000 0.000) 43.473 10.358 ( -26.492 0.000 0.000) 26.492 10.358 ( 26.492 0.000 0.000) 26.492 13.389 ( -13.259 0.000 0.000) 13.259 13.389 ( 13.259 0.000 0.000) 13.259 15.398 ( -5.613 0.000 -0.000) 5.613 15.398 ( 5.613 0.000 -0.000) 5.613 16.723 ( -31.027 0.000 0.000) 31.027 16.723 ( 31.027 0.000 0.000) 31.027 19.806 ( -10.719 0.000 0.000) 10.719 19.806 ( 10.719 0.000 0.000) 10.719 ======================= Grid point 1157 (189/216) ======================= q-point: ( 0.07 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 10.621 10.621 -8.954) 17.487 1.914 ( 10.621 10.621 8.954) 17.487 3.655 ( 28.688 28.688 -0.154) 40.571 3.655 ( 28.688 28.688 0.154) 40.571 4.578 ( 11.750 11.750 -1.256) 16.665 4.578 ( 11.750 11.750 1.256) 16.665 6.769 ( 6.520 6.520 -46.169) 47.081 6.769 ( 6.520 6.520 46.169) 47.081 12.063 ( 9.130 9.130 -0.387) 12.917 12.063 ( 9.130 9.130 0.387) 12.917 13.870 ( -12.668 -12.668 -6.901) 19.198 13.870 ( -12.668 -12.668 6.901) 19.198 14.345 ( 0.113 0.113 -64.793) 64.793 14.345 ( 0.113 0.113 64.793) 64.793 18.471 ( -15.989 -15.989 -4.842) 23.125 18.471 ( -15.989 -15.989 4.842) 23.125 19.767 ( 12.196 12.196 -2.172) 17.384 19.767 ( 12.196 12.196 2.172) 17.384 ======================= Grid point 1159 (190/216) ======================= q-point: ( 0.14 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 11.965 4.570 0.000) 12.808 2.519 ( 35.211 -18.214 0.000) 39.643 4.280 ( 35.946 25.285 -0.000) 43.948 4.300 ( 19.124 19.378 0.000) 27.226 4.743 ( 27.186 26.148 0.000) 37.720 5.012 ( 16.335 2.557 0.000) 16.534 6.838 ( 5.392 7.164 0.000) 8.967 7.156 ( 28.217 -1.715 -0.000) 28.269 12.072 ( -1.918 15.202 0.000) 15.323 12.514 ( 27.205 0.632 0.000) 27.212 13.259 ( -33.745 -3.841 0.000) 33.963 13.891 ( 2.978 -30.601 0.000) 30.745 14.220 ( -8.144 4.058 0.000) 9.099 14.473 ( 8.474 -3.968 -0.000) 9.357 17.631 ( -44.284 16.387 0.000) 47.219 18.555 ( -0.013 -27.187 0.000) 27.187 19.844 ( 4.072 15.023 0.000) 15.565 20.127 ( 14.545 0.162 0.000) 14.546 ======================= Grid point 1161 (191/216) ======================= q-point: ( 0.21 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 19.824 -0.654 0.000) 19.835 3.197 ( 30.330 -23.065 0.000) 38.104 4.407 ( 0.002 24.349 0.000) 24.349 5.030 ( 32.280 16.201 0.000) 36.117 5.201 ( 10.052 2.686 0.000) 10.405 5.603 ( 49.755 16.496 0.000) 52.418 7.006 ( 12.111 1.039 0.000) 12.155 7.832 ( 37.071 -5.542 -0.000) 37.483 11.943 ( -11.769 9.822 0.000) 15.329 12.560 ( -33.188 -10.670 0.000) 34.861 13.111 ( 28.015 3.789 0.000) 28.270 14.001 ( 7.652 -37.471 0.000) 38.244 14.053 ( -6.994 2.685 0.000) 7.492 14.677 ( 11.697 -4.281 -0.000) 12.456 16.767 ( -40.559 28.941 0.000) 49.825 18.457 ( -9.479 -16.057 0.000) 18.646 19.892 ( 0.117 9.660 0.000) 9.661 20.342 ( 6.969 -0.534 0.000) 6.990 ======================= Grid point 1163 (192/216) ======================= q-point: ( 0.29 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( 20.499 3.944 0.000) 20.875 3.668 ( 16.919 -17.870 0.000) 24.609 4.381 ( -2.581 27.616 0.000) 27.736 5.075 ( -7.213 4.841 0.000) 8.687 5.926 ( 42.553 3.780 0.000) 42.720 6.614 ( 51.170 4.655 0.000) 51.382 7.323 ( 18.859 -4.223 0.000) 19.326 8.552 ( 34.126 -7.776 0.000) 35.000 11.596 ( -22.853 1.291 0.000) 22.889 11.913 ( -31.335 -12.377 0.000) 33.691 13.467 ( 1.991 4.878 0.000) 5.269 14.125 ( 1.596 -43.626 -0.001) 43.656 14.125 ( 19.296 -1.707 0.001) 19.372 14.920 ( 12.289 -4.813 -0.000) 13.197 16.121 ( -20.993 42.371 0.000) 47.287 18.195 ( -16.343 -8.383 0.000) 18.368 19.847 ( -4.171 7.987 0.000) 9.011 20.400 ( -1.159 -0.091 0.000) 1.163 ======================= Grid point 1165 (193/216) ======================= q-point: ( 0.36 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.146 ( 18.341 11.470 0.000) 21.632 3.905 ( 7.769 -5.132 0.000) 9.311 4.301 ( -5.016 22.642 0.000) 23.191 4.887 ( -11.057 3.081 0.000) 11.478 6.745 ( 38.552 -2.976 0.000) 38.667 7.629 ( 50.129 -5.738 0.000) 50.456 7.696 ( 17.090 -6.048 0.000) 18.129 9.177 ( 28.837 -9.278 0.000) 30.293 11.049 ( -31.647 -6.708 0.000) 32.350 11.313 ( -29.035 -13.793 0.000) 32.145 13.358 ( -7.777 3.067 0.000) 8.360 13.970 ( -16.287 -33.148 -0.000) 36.933 14.640 ( 27.099 -3.450 -0.000) 27.317 15.155 ( 11.027 -4.913 -0.000) 12.072 16.015 ( 9.156 37.301 0.000) 38.409 17.819 ( -21.180 -2.316 0.000) 21.306 19.759 ( -3.602 7.913 0.000) 8.694 20.301 ( -8.430 1.221 0.000) 8.518 ======================= Grid point 1167 (194/216) ======================= q-point: ( 0.43 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.485 ( 15.647 18.695 0.000) 24.379 3.955 ( -4.525 20.625 0.000) 21.116 4.258 ( 3.508 0.708 0.000) 3.579 4.652 ( -12.185 0.637 -0.000) 12.202 7.420 ( 28.242 -6.433 0.000) 28.966 7.916 ( 4.283 -6.829 0.000) 8.061 8.615 ( 47.936 -11.329 0.000) 49.257 9.714 ( 25.395 -11.047 0.000) 27.694 10.352 ( -37.794 -11.694 0.000) 39.562 10.754 ( -27.080 -13.984 0.000) 30.478 13.250 ( -1.767 -0.248 0.000) 1.784 13.598 ( -18.189 -15.602 -0.000) 23.964 15.104 ( 18.246 -4.633 -0.000) 18.825 15.330 ( 5.565 -5.480 -0.000) 7.810 16.362 ( 22.897 22.560 0.000) 32.144 17.362 ( -24.470 4.021 0.000) 24.798 19.740 ( 2.394 7.362 0.000) 7.742 20.089 ( -12.047 3.260 0.000) 12.480 ======================= Grid point 1169 (195/216) ======================= q-point: (-0.50 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.767 ( -12.525 24.338 0.000) 27.372 3.767 ( 12.525 24.338 0.000) 27.372 4.418 ( -10.792 -2.588 0.000) 11.098 4.418 ( 10.792 -2.588 0.000) 11.098 7.834 ( -12.701 -7.154 0.000) 14.577 7.834 ( 12.701 -7.154 0.000) 14.577 9.526 ( -43.185 -13.345 0.000) 45.200 9.526 ( 43.185 -13.345 0.000) 45.200 10.233 ( -25.267 -12.753 0.000) 28.303 10.233 ( 25.267 -12.753 0.000) 28.303 13.319 ( -8.949 -5.598 0.000) 10.556 13.319 ( 8.949 -5.598 0.000) 10.556 15.340 ( -5.301 -5.343 -0.000) 7.527 15.340 ( 5.301 -5.343 -0.000) 7.527 16.857 ( -25.784 11.841 0.000) 28.374 16.857 ( 25.784 11.841 0.000) 28.374 19.863 ( -9.555 5.606 0.000) 11.078 19.863 ( 9.555 5.606 0.000) 11.078 ======================= Grid point 1189 (196/216) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 6.901 6.901 -12.818) 16.111 2.250 ( 6.901 6.901 12.818) 16.111 4.789 ( 22.418 22.418 -3.562) 31.903 4.789 ( 22.418 22.418 3.562) 31.903 5.224 ( 21.882 21.882 -1.616) 30.988 5.224 ( 21.882 21.882 1.616) 30.988 7.113 ( 9.679 9.679 -29.747) 32.745 7.113 ( 9.679 9.679 29.747) 32.745 12.437 ( 2.687 2.687 -0.070) 3.800 12.437 ( 2.687 2.687 0.070) 3.800 13.224 ( -13.556 -13.556 -23.611) 30.414 13.224 ( -13.556 -13.556 23.611) 30.414 14.342 ( -0.280 -0.280 -61.095) 61.097 14.342 ( -0.280 -0.280 61.095) 61.097 17.938 ( -10.438 -10.438 -14.832) 20.926 17.938 ( -10.438 -10.438 14.832) 20.926 20.128 ( 6.226 6.226 -2.970) 9.293 20.128 ( 6.226 6.226 2.970) 9.293 ======================= Grid point 1191 (197/216) ======================= q-point: ( 0.21 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 15.625 3.023 -0.000) 15.915 2.733 ( 27.233 -19.985 0.000) 33.779 4.968 ( 5.597 29.221 0.000) 29.752 5.292 ( 12.569 6.658 0.000) 14.223 5.493 ( 19.242 29.238 0.000) 35.002 5.943 ( 40.466 14.769 0.000) 43.077 7.094 ( 1.363 9.725 0.000) 9.820 7.675 ( 32.681 -10.043 -0.000) 34.189 12.066 ( -25.509 -4.756 0.000) 25.949 12.210 ( -32.700 -24.297 0.000) 40.739 13.236 ( 23.478 8.227 0.000) 24.878 13.351 ( 8.676 -18.807 -0.000) 20.712 14.145 ( -9.997 6.734 0.000) 12.053 14.539 ( 11.229 -9.321 -0.000) 14.593 17.310 ( -28.744 22.877 0.000) 36.736 18.064 ( 0.569 -21.870 0.000) 21.877 20.109 ( -1.981 11.092 0.000) 11.267 20.328 ( 7.069 -0.912 0.000) 7.127 ======================= Grid point 1193 (198/216) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( 26.725 -0.306 0.000) 26.727 3.258 ( 24.199 -21.616 0.000) 32.447 5.039 ( 0.597 35.865 0.000) 35.870 5.260 ( -8.456 13.904 0.000) 16.274 6.064 ( 31.686 10.593 0.000) 33.410 6.734 ( 38.394 6.829 0.000) 38.997 7.216 ( 11.605 -5.450 0.000) 12.821 8.331 ( 31.840 -14.213 0.000) 34.868 11.465 ( -33.964 -18.251 0.000) 38.557 11.531 ( -33.495 -25.958 -0.000) 42.376 13.497 ( 4.509 -15.137 0.000) 15.795 13.602 ( 2.905 8.373 -0.000) 8.863 14.102 ( 13.761 -0.223 0.000) 13.763 14.776 ( 12.294 -9.615 -0.000) 15.607 16.852 ( -15.974 30.224 0.000) 34.186 17.978 ( -8.503 -12.576 0.000) 15.181 20.048 ( -3.972 11.324 0.000) 12.001 20.401 ( 0.246 0.278 0.000) 0.372 ======================= Grid point 1195 (199/216) ======================= q-point: ( 0.36 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.355 ( 27.830 6.604 -0.000) 28.602 3.684 ( 19.055 -14.770 0.000) 24.109 4.960 ( -8.643 39.613 0.000) 40.544 5.035 ( -13.497 12.966 -0.000) 18.716 6.692 ( 30.695 -1.375 0.000) 30.726 7.466 ( 28.040 -11.166 0.000) 30.182 7.540 ( 26.274 -8.203 0.000) 27.524 8.916 ( 26.818 -16.744 0.000) 31.616 10.741 ( -38.233 -25.272 0.000) 45.831 10.897 ( -30.001 -27.645 0.000) 40.796 13.455 ( -10.830 6.821 0.000) 12.799 13.496 ( -4.580 -11.753 -0.000) 12.614 14.559 ( 25.012 -4.523 -0.000) 25.418 15.013 ( 10.959 -9.449 -0.000) 14.470 16.699 ( 0.399 29.704 0.000) 29.707 17.750 ( -13.869 -4.439 0.000) 14.562 19.969 ( -3.274 12.419 0.000) 12.844 20.341 ( -5.957 2.851 0.000) 6.604 ======================= Grid point 1197 (200/216) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.880 ( 24.441 15.689 -0.000) 29.044 4.039 ( 17.005 -7.602 0.000) 18.627 4.714 ( -15.379 38.342 0.000) 41.311 4.739 ( -15.876 11.034 -0.000) 19.333 7.253 ( 24.686 -9.483 0.000) 26.444 7.713 ( 4.140 -13.628 0.000) 14.243 8.310 ( 41.579 -18.193 0.000) 45.385 9.408 ( 23.021 -19.794 0.000) 30.361 9.957 ( -40.225 -27.217 0.000) 48.568 10.339 ( -25.978 -27.151 0.000) 37.577 13.276 ( -6.012 3.435 0.000) 6.924 13.356 ( -7.919 -6.171 -0.000) 10.040 14.987 ( 16.731 -7.073 -0.000) 18.165 15.185 ( 5.535 -9.209 -0.000) 10.744 16.832 ( 11.684 22.317 0.000) 25.191 17.445 ( -16.299 3.789 0.000) 16.734 19.943 ( 1.132 12.376 0.000) 12.428 20.186 ( -8.870 6.431 0.000) 10.956 ======================= Grid point 1199 (201/216) ======================= q-point: (-0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.284 ( -7.910 4.256 -0.000) 8.982 4.284 ( 7.910 4.256 0.000) 8.982 4.451 ( -4.605 26.792 0.000) 27.184 4.451 ( 4.605 26.792 -0.000) 27.184 7.631 ( -12.231 -12.866 0.000) 17.752 7.631 ( 12.231 -12.866 0.000) 17.752 9.142 ( -41.562 -24.851 0.000) 48.426 9.142 ( 41.562 -24.851 0.000) 48.426 9.857 ( -22.787 -23.938 0.000) 33.050 9.857 ( 22.787 -23.938 0.000) 33.050 13.240 ( -2.529 -0.846 0.000) 2.667 13.240 ( 2.529 -0.846 0.000) 2.667 15.201 ( -4.665 -8.608 -0.000) 9.791 15.201 ( 4.665 -8.608 -0.000) 9.791 17.118 ( -16.084 12.858 0.000) 20.592 17.118 ( 16.084 12.858 0.000) 20.592 20.023 ( -6.687 10.117 0.000) 12.127 20.023 ( 6.687 10.117 0.000) 12.127 ======================= Grid point 1221 (202/216) ======================= q-point: ( 0.21 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 7.518 7.518 -10.262) 14.777 2.522 ( 7.518 7.518 10.262) 14.777 5.467 ( 14.459 14.459 -4.209) 20.877 5.467 ( 14.459 14.459 4.209) 20.877 6.142 ( 20.778 20.778 -3.908) 29.643 6.142 ( 20.778 20.778 3.908) 29.643 7.444 ( 5.978 5.978 -11.846) 14.553 7.444 ( 5.978 5.978 11.846) 14.553 11.619 ( -34.241 -34.241 -7.645) 49.024 11.619 ( -34.241 -34.241 7.645) 49.024 13.405 ( 12.852 12.852 -30.951) 35.893 13.405 ( 12.852 12.852 30.951) 35.893 14.316 ( -1.147 -1.147 -54.928) 54.952 14.316 ( -1.147 -1.147 54.928) 54.952 17.638 ( -4.864 -4.864 -19.059) 20.262 17.638 ( -4.864 -4.864 19.059) 20.262 20.304 ( 3.220 3.220 -2.280) 5.092 20.304 ( 3.220 3.220 2.280) 5.092 ======================= Grid point 1223 (203/216) ======================= q-point: ( 0.29 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 23.600 0.366 -0.000) 23.603 2.903 ( 22.909 -11.364 0.000) 25.572 5.598 ( -4.359 18.835 0.000) 19.333 5.691 ( 10.134 26.462 0.000) 28.337 6.363 ( 16.131 19.415 0.000) 25.241 6.816 ( 32.224 -0.702 0.000) 32.232 7.214 ( -8.614 8.905 0.000) 12.390 7.989 ( 28.089 -20.086 0.000) 34.532 10.882 ( -38.887 -36.379 0.000) 53.250 10.903 ( -35.412 -35.990 -0.000) 50.491 13.511 ( 2.185 12.440 0.000) 12.630 13.775 ( 9.112 7.851 -0.000) 12.028 14.123 ( 0.989 2.742 0.000) 2.915 14.541 ( 12.058 -13.794 -0.000) 18.321 17.315 ( -11.941 16.501 0.000) 20.368 17.727 ( -0.317 -11.863 -0.000) 11.868 20.266 ( -2.236 9.969 0.000) 10.217 20.412 ( 2.701 0.734 0.000) 2.799 ======================= Grid point 1225 (204/216) ======================= q-point: ( 0.36 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.368 ( 32.810 -4.067 -0.000) 33.061 3.384 ( 24.407 -13.642 0.000) 27.961 5.400 ( -13.410 22.038 0.000) 25.798 5.768 ( -4.629 39.163 0.000) 39.436 6.725 ( 18.868 5.341 0.000) 19.609 7.183 ( 6.758 -16.306 0.000) 17.651 7.408 ( 26.988 -4.894 0.000) 27.428 8.509 ( 23.464 -24.215 0.000) 33.719 10.102 ( -38.768 -35.849 0.000) 52.802 10.246 ( -30.114 -36.391 -0.000) 47.235 13.483 ( -4.526 8.177 0.000) 9.346 13.630 ( -13.231 10.641 0.000) 16.979 14.453 ( 21.323 -6.495 -0.000) 22.290 14.779 ( 11.243 -13.888 -0.000) 17.868 17.175 ( -2.305 18.064 0.000) 18.211 17.655 ( -6.233 -4.705 -0.000) 7.810 20.222 ( -1.870 12.279 0.000) 12.421 20.413 ( -2.342 4.203 0.000) 4.812 ======================= Grid point 1227 (205/216) ======================= q-point: ( 0.43 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.847 ( 21.432 -10.618 -0.000) 23.918 3.980 ( 25.106 -4.158 0.000) 25.448 5.136 ( -10.373 25.590 0.000) 27.613 5.521 ( -18.005 40.427 0.000) 44.255 7.083 ( 16.413 -6.410 0.000) 17.620 7.361 ( 6.310 -22.000 0.000) 22.887 7.947 ( 28.856 -16.803 0.000) 33.392 8.893 ( 12.204 -32.556 0.000) 34.768 9.379 ( -30.553 -27.537 0.000) 41.131 9.719 ( -22.591 -33.522 0.000) 40.423 13.368 ( -5.738 6.535 0.000) 8.696 13.398 ( -8.849 8.757 -0.000) 12.449 14.818 ( 14.140 -10.091 -0.000) 17.372 14.960 ( 6.095 -13.421 -0.000) 14.740 17.205 ( 4.726 14.825 0.000) 15.560 17.504 ( -8.423 2.139 -0.000) 8.690 20.205 ( 0.457 13.262 0.000) 13.270 20.336 ( -4.801 8.289 0.000) 9.579 ======================= Grid point 1229 (206/216) ======================= q-point: (-0.50 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.173 ( -7.544 -8.470 0.000) 11.343 4.173 ( 7.544 -8.470 0.000) 11.343 5.159 ( -14.156 35.201 0.000) 37.941 5.159 ( 14.156 35.201 0.000) 37.941 7.340 ( -8.132 -15.689 0.000) 17.671 7.340 ( 8.132 -15.689 0.000) 17.671 8.569 ( -32.284 -31.159 0.000) 44.868 8.569 ( 32.284 -31.158 0.000) 44.868 9.341 ( -15.498 -26.401 0.000) 30.614 9.341 ( 15.498 -26.401 0.000) 30.614 13.305 ( -0.345 7.097 0.000) 7.105 13.305 ( 0.345 7.097 0.000) 7.105 14.993 ( -3.315 -12.335 -0.000) 12.773 14.993 ( 3.315 -12.335 -0.000) 12.773 17.337 ( -7.951 8.879 0.000) 11.919 17.337 ( 7.951 8.879 0.000) 11.919 20.247 ( -3.625 11.798 0.000) 12.342 20.247 ( 3.625 11.798 0.000) 12.342 ======================= Grid point 1253 (207/216) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( 10.689 10.689 -4.950) 15.907 2.886 ( 10.689 10.689 4.950) 15.907 5.983 ( 10.725 10.725 -0.681) 15.183 5.983 ( 10.725 10.725 0.681) 15.183 6.797 ( 12.132 12.132 -11.006) 20.383 6.797 ( 12.132 12.132 11.006) 20.383 7.545 ( -1.080 -1.080 -0.001) 1.528 7.545 ( -1.080 -1.080 0.001) 1.528 10.147 ( -37.121 -37.121 -4.757) 52.712 10.147 ( -37.121 -37.121 4.757) 52.712 13.846 ( 8.152 8.152 -37.678) 39.403 13.846 ( 8.152 8.152 37.678) 39.403 14.246 ( -2.353 -2.353 -48.167) 48.282 14.246 ( -2.353 -2.353 48.167) 48.282 17.530 ( -0.878 -0.878 -15.927) 15.975 17.530 ( -0.878 -0.878 15.927) 15.975 20.427 ( 3.288 3.288 -0.656) 4.695 20.427 ( 3.288 3.288 0.656) 4.695 ======================= Grid point 1255 (208/216) ======================= q-point: ( 0.36 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.211 ( 20.632 -2.244 -0.000) 20.754 3.279 ( 26.792 -2.705 0.000) 26.928 5.835 ( -12.985 20.255 0.000) 24.060 6.371 ( 16.874 12.379 0.000) 20.928 6.911 ( 7.443 12.692 -0.000) 14.714 6.918 ( -18.617 -2.479 0.000) 18.781 7.352 ( 14.097 -0.442 0.000) 14.104 7.960 ( 18.282 -30.213 0.000) 35.314 9.416 ( -33.340 -31.397 0.000) 45.797 9.511 ( -27.547 -35.758 0.000) 45.138 13.734 ( -8.186 15.342 0.000) 17.389 13.867 ( -14.112 12.707 0.000) 18.990 14.288 ( 16.681 -10.078 -0.000) 19.489 14.470 ( 11.361 -16.760 -0.000) 20.247 17.433 ( -2.341 8.430 0.000) 8.749 17.576 ( -0.502 -3.073 -0.000) 3.113 20.437 ( 0.418 8.956 0.000) 8.966 20.500 ( 1.544 4.231 0.000) 4.504 ======================= Grid point 1257 (209/216) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.650 ( 21.715 -8.388 0.000) 23.279 3.814 ( 22.243 -10.563 0.000) 24.624 5.599 ( -6.885 17.953 0.000) 19.228 6.236 ( -27.283 26.832 0.000) 38.266 6.875 ( 13.656 -22.227 0.000) 26.087 7.043 ( 4.931 3.105 0.000) 5.827 7.674 ( 15.678 -10.582 0.000) 18.915 8.185 ( 1.271 -35.281 0.000) 35.304 8.898 ( -15.467 -21.361 0.000) 26.373 9.071 ( -16.509 -30.130 0.000) 34.356 13.570 ( -7.000 12.644 0.000) 14.452 13.611 ( -10.024 12.115 -0.000) 15.724 14.581 ( 11.258 -13.575 -0.000) 17.636 14.658 ( 6.749 -16.481 -0.000) 17.810 17.426 ( 1.333 7.714 0.000) 7.828 17.536 ( -2.995 1.155 -0.000) 3.210 20.448 ( 0.767 10.669 0.000) 10.696 20.500 ( -1.120 7.769 0.000) 7.849 ======================= Grid point 1259 (210/216) ======================= q-point: (-0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.976 ( -7.251 -11.125 0.000) 13.279 3.976 ( 7.251 -11.125 0.000) 13.279 5.719 ( -19.657 17.425 0.000) 26.268 5.719 ( 19.657 17.425 0.000) 26.268 7.067 ( -3.734 -8.754 -0.000) 9.517 7.067 ( 3.734 -8.754 0.000) 9.517 7.991 ( -16.008 -24.763 0.000) 29.487 7.991 ( 16.008 -24.763 0.000) 29.487 8.844 ( -6.390 -23.008 0.000) 23.879 8.844 ( 6.390 -23.008 0.000) 23.879 13.500 ( -0.783 11.816 0.000) 11.842 13.500 ( 0.783 11.816 0.000) 11.842 14.712 ( -1.780 -15.563 -0.000) 15.664 14.712 ( 1.780 -15.563 -0.000) 15.664 17.473 ( -3.021 4.910 0.000) 5.765 17.473 ( 3.021 4.910 0.000) 5.765 20.471 ( -1.498 10.236 0.000) 10.345 20.471 ( 1.498 10.236 0.000) 10.345 ======================= Grid point 1285 (211/216) ======================= 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 3.43e-04 3.43e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.318 ( 9.727 9.727 -0.735) 13.776 3.318 ( 9.727 9.727 0.735) 13.776 6.164 ( -4.895 -4.895 -2.000) 7.206 6.164 ( -4.895 -4.895 2.000) 7.206 7.129 ( 5.213 5.213 -19.845) 21.170 7.129 ( 5.213 5.213 19.845) 21.170 7.420 ( -2.710 -2.710 -7.266) 8.215 7.420 ( -2.710 -2.710 7.266) 8.215 8.885 ( -23.658 -23.658 -1.210) 33.479 8.885 ( -23.658 -23.658 1.210) 33.479 14.037 ( 1.845 1.845 -37.960) 38.049 14.037 ( 1.845 1.845 37.960) 38.049 14.142 ( -2.628 -2.628 -41.356) 41.523 14.142 ( -2.628 -2.628 41.356) 41.523 17.535 ( 0.718 0.718 -8.623) 8.682 17.535 ( 0.718 0.718 8.623) 8.682 20.574 ( 3.924 3.924 -0.162) 5.552 20.574 ( 3.924 3.924 0.162) 5.552 ======================= Grid point 1287 (212/216) ======================= q-point: ( 0.43 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 3.43e-04 3.43e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.538 ( 13.333 -2.622 0.000) 13.589 3.620 ( 14.444 -7.748 -0.000) 16.391 5.786 ( -13.427 0.518 0.000) 13.437 6.122 ( -16.800 -26.022 0.000) 30.974 6.973 ( 0.760 21.062 -0.000) 21.076 7.194 ( -1.611 10.475 0.000) 10.598 7.512 ( 8.434 -6.185 0.000) 10.459 7.595 ( 5.801 -21.951 -0.000) 22.705 8.523 ( -10.391 -15.996 -0.000) 19.075 8.563 ( -10.785 -20.153 0.000) 22.857 13.832 ( -8.577 12.738 0.000) 15.357 13.856 ( -10.324 11.806 0.000) 15.684 14.295 ( 9.076 -14.393 -0.000) 17.016 14.326 ( 7.155 -16.084 -0.000) 17.604 17.529 ( 0.287 3.056 0.000) 3.069 17.553 ( -0.200 0.678 -0.000) 0.706 20.621 ( 1.703 6.656 0.000) 6.870 20.634 ( 1.490 5.468 0.000) 5.668 ======================= Grid point 1289 (213/216) ======================= q-point: (-0.50 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 3.43e-04 3.43e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.743 ( -3.859 -11.717 0.000) 12.336 3.743 ( 3.859 -11.717 0.000) 12.336 5.761 ( -11.965 -10.398 0.000) 15.852 5.761 ( 11.965 -10.398 0.000) 15.852 7.098 ( -7.416 10.299 0.000) 12.691 7.098 ( 7.416 10.299 -0.000) 12.691 7.622 ( -2.430 -12.470 0.000) 12.704 7.622 ( 2.430 -12.470 0.000) 12.704 8.444 ( -1.430 -16.666 0.000) 16.728 8.444 ( 1.430 -16.666 0.000) 16.728 13.745 ( -0.474 11.920 0.000) 11.929 13.745 ( 0.474 11.920 0.000) 11.929 14.395 ( -0.694 -15.594 -0.000) 15.609 14.395 ( 0.694 -15.594 -0.000) 15.609 17.541 ( -0.779 2.202 0.000) 2.336 17.541 ( 0.779 2.202 0.000) 2.336 20.642 ( -0.424 6.851 0.000) 6.864 20.642 ( 0.424 6.851 0.000) 6.864 ======================= Grid point 1317 (214/216) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.532 ( -0.075 -0.075 -3.050) 3.051 3.532 ( -0.075 -0.075 3.050) 3.051 5.662 ( -13.716 -13.716 -0.068) 19.398 5.662 ( -13.716 -13.716 0.068) 19.398 7.317 ( 4.516 4.516 -18.548) 19.616 7.317 ( 4.516 4.516 18.548) 19.616 7.409 ( 0.690 0.690 -13.324) 13.360 7.409 ( 0.690 0.690 13.324) 13.360 8.277 ( -8.629 -8.629 -1.972) 12.362 8.277 ( -8.629 -8.629 1.972) 12.362 14.044 ( -0.774 -0.774 -34.089) 34.106 14.044 ( -0.774 -0.774 34.089) 34.106 14.055 ( -1.596 -1.596 -35.066) 35.138 14.055 ( -1.596 -1.596 35.066) 35.138 17.564 ( 0.550 0.550 -2.305) 2.433 17.564 ( 0.550 0.550 2.305) 2.433 20.715 ( 2.808 2.808 -0.221) 3.977 20.715 ( 2.808 2.808 0.221) 3.977 ======================= Grid point 1319 (215/216) ======================= q-point: (-0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.539 ( -0.684 -7.938 0.000) 7.967 3.539 ( 0.684 -7.938 0.000) 7.967 5.509 ( -1.772 -11.259 0.000) 11.397 5.509 ( 1.772 -11.259 0.000) 11.397 7.323 ( -2.975 9.520 -0.000) 9.974 7.323 ( 2.975 9.520 -0.000) 9.974 7.463 ( -1.772 -4.364 0.000) 4.710 7.463 ( 1.772 -4.364 0.000) 4.710 8.193 ( -0.073 -8.450 0.000) 8.450 8.193 ( 0.073 -8.450 0.000) 8.450 13.945 ( -0.159 7.480 0.000) 7.482 13.945 ( 0.159 7.480 0.000) 7.482 14.128 ( -0.178 -10.174 -0.000) 10.175 14.128 ( 0.178 -10.174 -0.000) 10.175 17.568 ( -0.086 0.706 0.000) 0.711 17.568 ( 0.086 0.706 0.000) 0.711 20.742 ( -0.051 3.240 0.000) 3.241 20.742 ( 0.051 3.240 0.000) 3.241 ======================= Grid point 1363 (216/216) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.456 ( 0.000 0.000 0.000) 0.000 3.456 ( 0.000 0.000 0.000) 0.000 5.389 ( 0.000 0.000 0.000) 0.000 5.389 ( 0.000 0.000 0.000) 0.000 7.423 ( 0.000 0.000 -16.976) 16.976 7.423 ( 0.000 0.000 -16.976) 16.976 7.423 ( 0.000 0.000 16.976) 16.976 7.423 ( 0.000 0.000 16.976) 16.976 8.109 ( -0.000 -0.000 0.000) 0.000 8.109 ( 0.000 0.000 0.000) 0.000 14.022 ( 0.000 0.000 -32.183) 32.183 14.022 ( 0.000 0.000 -32.183) 32.183 14.022 ( 0.000 0.000 32.183) 32.183 14.022 ( 0.000 0.000 32.183) 32.183 17.575 ( 0.000 0.000 -0.000) 0.000 17.575 ( 0.000 0.000 0.000) 0.000 20.774 ( 0.000 0.000 0.000) 0.000 20.774 ( 0.000 0.000 0.000) 0.000 =================== 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 3/35280 10.0 404.362 404.362 284.362 -0.000 -0.000 0.000 3/35280 20.0 339.531 339.531 236.408 -0.000 -0.000 0.000 3/35280 30.0 147.295 147.295 135.781 -0.000 -0.000 0.000 3/35280 40.0 72.005 72.005 69.029 -0.000 -0.000 0.000 3/35280 50.0 45.000 45.000 41.210 -0.000 -0.000 0.000 3/35280 60.0 32.692 32.692 28.180 -0.000 -0.000 0.000 3/35280 70.0 25.935 25.935 21.158 -0.000 -0.000 0.000 3/35280 80.0 21.711 21.711 16.946 -0.000 -0.000 0.000 3/35280 90.0 18.816 18.816 14.210 -0.000 -0.000 0.000 3/35280 100.0 16.695 16.695 12.324 -0.000 -0.000 0.000 3/35280 110.0 15.061 15.061 10.959 -0.000 -0.000 0.000 3/35280 120.0 13.755 13.755 9.930 -0.000 -0.000 0.000 3/35280 130.0 12.681 12.681 9.127 -0.000 -0.000 0.000 3/35280 140.0 11.777 11.777 8.481 -0.000 -0.000 0.000 3/35280 150.0 11.005 11.005 7.947 -0.000 -0.000 0.000 3/35280 160.0 10.335 10.335 7.495 -0.000 -0.000 0.000 3/35280 170.0 9.747 9.747 7.106 -0.000 -0.000 0.000 3/35280 180.0 9.225 9.225 6.765 -0.000 -0.000 0.000 3/35280 190.0 8.760 8.760 6.463 -0.000 -0.000 0.000 3/35280 200.0 8.341 8.341 6.191 -0.000 -0.000 0.000 3/35280 210.0 7.962 7.962 5.944 -0.000 -0.000 0.000 3/35280 220.0 7.617 7.617 5.719 -0.000 -0.000 0.000 3/35280 230.0 7.302 7.302 5.512 -0.000 -0.000 0.000 3/35280 240.0 7.012 7.012 5.320 -0.000 -0.000 0.000 3/35280 250.0 6.745 6.745 5.142 -0.000 -0.000 0.000 3/35280 260.0 6.497 6.497 4.976 -0.000 -0.000 0.000 3/35280 270.0 6.268 6.268 4.821 -0.000 -0.000 0.000 3/35280 280.0 6.054 6.054 4.675 -0.000 -0.000 0.000 3/35280 290.0 5.855 5.855 4.538 -0.000 -0.000 0.000 3/35280 300.0 5.668 5.668 4.408 -0.000 -0.000 0.000 3/35280 310.0 5.494 5.494 4.286 -0.000 -0.000 0.000 3/35280 320.0 5.329 5.329 4.170 -0.000 -0.000 0.000 3/35280 330.0 5.174 5.174 4.060 -0.000 -0.000 0.000 3/35280 340.0 5.028 5.028 3.956 -0.000 -0.000 0.000 3/35280 350.0 4.890 4.890 3.857 -0.000 -0.000 0.000 3/35280 360.0 4.759 4.759 3.762 -0.000 -0.000 0.000 3/35280 370.0 4.636 4.636 3.672 -0.000 -0.000 0.000 3/35280 380.0 4.518 4.518 3.586 -0.000 -0.000 0.000 3/35280 390.0 4.406 4.406 3.504 -0.000 -0.000 0.000 3/35280 400.0 4.300 4.300 3.425 -0.000 -0.000 0.000 3/35280 410.0 4.198 4.198 3.350 -0.000 -0.000 0.000 3/35280 420.0 4.102 4.102 3.278 -0.000 -0.000 0.000 3/35280 430.0 4.009 4.009 3.209 -0.000 -0.000 0.000 3/35280 440.0 3.921 3.921 3.142 -0.000 -0.000 0.000 3/35280 450.0 3.836 3.836 3.078 -0.000 -0.000 0.000 3/35280 460.0 3.755 3.755 3.017 -0.000 -0.000 0.000 3/35280 470.0 3.678 3.678 2.958 -0.000 -0.000 0.000 3/35280 480.0 3.603 3.603 2.901 -0.000 -0.000 0.000 3/35280 490.0 3.531 3.531 2.847 -0.000 -0.000 0.000 3/35280 500.0 3.463 3.463 2.794 -0.000 -0.000 0.000 3/35280 510.0 3.396 3.396 2.743 -0.000 -0.000 0.000 3/35280 520.0 3.333 3.333 2.694 -0.000 -0.000 0.000 3/35280 530.0 3.271 3.271 2.646 -0.000 -0.000 0.000 3/35280 540.0 3.212 3.212 2.600 -0.000 -0.000 0.000 3/35280 550.0 3.155 3.155 2.556 -0.000 -0.000 0.000 3/35280 560.0 3.100 3.100 2.513 -0.000 -0.000 0.000 3/35280 570.0 3.047 3.047 2.472 -0.000 -0.000 0.000 3/35280 580.0 2.995 2.995 2.432 -0.000 -0.000 0.000 3/35280 590.0 2.945 2.945 2.393 -0.000 -0.000 0.000 3/35280 600.0 2.897 2.897 2.355 -0.000 -0.000 0.000 3/35280 610.0 2.851 2.851 2.318 -0.000 -0.000 0.000 3/35280 620.0 2.806 2.806 2.283 -0.000 -0.000 0.000 3/35280 630.0 2.762 2.762 2.248 -0.000 -0.000 0.000 3/35280 640.0 2.719 2.719 2.215 -0.000 -0.000 0.000 3/35280 650.0 2.678 2.678 2.183 -0.000 -0.000 0.000 3/35280 660.0 2.638 2.638 2.151 -0.000 -0.000 0.000 3/35280 670.0 2.600 2.600 2.120 -0.000 -0.000 0.000 3/35280 680.0 2.562 2.562 2.091 -0.000 -0.000 0.000 3/35280 690.0 2.525 2.525 2.061 -0.000 -0.000 0.000 3/35280 700.0 2.490 2.490 2.033 -0.000 -0.000 0.000 3/35280 710.0 2.455 2.455 2.006 -0.000 -0.000 0.000 3/35280 720.0 2.422 2.422 1.979 -0.000 -0.000 0.000 3/35280 730.0 2.389 2.389 1.953 -0.000 -0.000 0.000 3/35280 740.0 2.357 2.357 1.928 -0.000 -0.000 0.000 3/35280 750.0 2.326 2.326 1.903 -0.000 -0.000 0.000 3/35280 760.0 2.296 2.296 1.879 -0.000 -0.000 0.000 3/35280 770.0 2.267 2.267 1.855 -0.000 -0.000 0.000 3/35280 780.0 2.238 2.238 1.832 -0.000 -0.000 0.000 3/35280 790.0 2.210 2.210 1.810 -0.000 -0.000 0.000 3/35280 800.0 2.183 2.183 1.788 -0.000 -0.000 0.000 3/35280 810.0 2.156 2.156 1.766 -0.000 -0.000 0.000 3/35280 820.0 2.130 2.130 1.746 -0.000 -0.000 0.000 3/35280 830.0 2.105 2.105 1.725 -0.000 -0.000 0.000 3/35280 840.0 2.080 2.080 1.705 -0.000 -0.000 0.000 3/35280 850.0 2.056 2.056 1.686 -0.000 -0.000 0.000 3/35280 860.0 2.032 2.032 1.667 -0.000 -0.000 0.000 3/35280 870.0 2.009 2.009 1.648 -0.000 -0.000 0.000 3/35280 880.0 1.986 1.986 1.630 -0.000 -0.000 0.000 3/35280 890.0 1.964 1.964 1.612 -0.000 -0.000 0.000 3/35280 900.0 1.943 1.943 1.595 -0.000 -0.000 0.000 3/35280 910.0 1.922 1.922 1.578 -0.000 -0.000 0.000 3/35280 920.0 1.901 1.901 1.561 -0.000 -0.000 0.000 3/35280 930.0 1.881 1.881 1.544 -0.000 -0.000 0.000 3/35280 940.0 1.861 1.861 1.528 -0.000 -0.000 0.000 3/35280 950.0 1.841 1.841 1.513 -0.000 -0.000 0.000 3/35280 960.0 1.822 1.822 1.497 -0.000 -0.000 0.000 3/35280 970.0 1.804 1.804 1.482 -0.000 -0.000 0.000 3/35280 980.0 1.786 1.786 1.467 -0.000 -0.000 0.000 3/35280 990.0 1.768 1.768 1.453 -0.000 -0.000 0.000 3/35280 1000.0 1.750 1.750 1.439 -0.000 -0.000 0.000 3/35280 Thermal conductivity related properties were written into "kappa-m141410.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:13:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|