----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:45:03]------------------------- 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: [1 1 3] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/mmm (139) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.542281985000001 4.542281985000001 1.892314330000000 b 4.542281985000001 -4.542281985000001 1.892314330000000 c 4.542281985000001 4.542281985000001 -1.892314330000000 Atomic positions (fractional): *1 Li 0.50000000000000 0.13833550785014 0.63833550785014 6.941 2 Li 0.13833550785014 0.50000000000000 0.63833550785014 6.941 3 Li 0.86166449214986 0.50000000000000 0.36166449214986 6.941 4 Li 0.50000000000000 0.86166449214986 0.36166449214986 6.941 *5 Ag 0.16207893900392 0.83792106099608 0.00000000000000 107.868 6 Ag 0.83792106099608 0.83792106099608 0.67584212199215 107.868 7 Ag 0.83792106099608 0.16207893900392 0.00000000000000 107.868 8 Ag 0.16207893900392 0.16207893900392 0.32415787800785 107.868 *9 O 0.00000000000000 0.67780976430395 0.67780976430395 15.999 10 O 0.67780976430394 0.00000000000000 0.67780976430395 15.999 11 O 0.32219023569605 0.00000000000000 0.32219023569605 15.999 12 O 0.00000000000000 0.32219023569605 0.32219023569605 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.084563970000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.084563970000001 0.000000000000000 c 0.000000000000000 0.000000000000000 3.784628660000000 Atomic positions (fractional): *1 Li 0.63833550785014 0.00000000000000 0.50000000000000 6.941 > 1 2 Li 0.50000000000000 0.13833550785014 0.00000000000000 6.941 > 2 3 Li 0.50000000000000 0.86166449214986 0.00000000000000 6.941 > 3 4 Li 0.36166449214986 0.00000000000000 0.50000000000000 6.941 > 4 5 Li 0.13833550785014 0.50000000000000 0.00000000000000 6.941 > 1 6 Li 0.00000000000000 0.63833550785014 0.50000000000000 6.941 > 2 7 Li 0.00000000000000 0.36166449214986 0.50000000000000 6.941 > 3 8 Li 0.86166449214986 0.50000000000000 0.00000000000000 6.941 > 4 *9 Ag 0.33792106099608 0.66207893900392 0.50000000000000 107.868 > 5 10 Ag 0.33792106099608 0.33792106099608 0.50000000000000 107.868 > 6 11 Ag 0.16207893900392 0.83792106099608 0.00000000000000 107.868 > 7 12 Ag 0.16207893900392 0.16207893900392 0.00000000000000 107.868 > 8 13 Ag 0.83792106099608 0.16207893900392 0.00000000000000 107.868 > 5 14 Ag 0.83792106099608 0.83792106099608 0.00000000000000 107.868 > 6 15 Ag 0.66207893900392 0.33792106099608 0.50000000000000 107.868 > 7 16 Ag 0.66207893900392 0.66207893900392 0.50000000000000 107.868 > 8 *17 O 0.67780976430395 0.00000000000000 0.00000000000000 15.999 > 9 18 O 0.50000000000000 0.17780976430394 0.50000000000000 15.999 > 10 19 O 0.50000000000000 0.82219023569605 0.50000000000000 15.999 > 11 20 O 0.32219023569605 0.00000000000000 0.00000000000000 15.999 > 12 21 O 0.17780976430394 0.50000000000000 0.50000000000000 15.999 > 9 22 O 0.00000000000000 0.67780976430395 0.00000000000000 15.999 > 10 23 O 0.00000000000000 0.32219023569605 0.00000000000000 15.999 > 11 24 O 0.82219023569605 0.50000000000000 0.50000000000000 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.084563970000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.084563970000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.353885980000001 Atomic positions (fractional): *1 Li 0.63833550785014 0.00000000000000 0.16666666666667 6.941 > 1 2 Li 0.63833550785014 0.00000000000000 0.50000000000000 6.941 > 1 3 Li 0.63833550785014 0.00000000000000 0.83333333333333 6.941 > 1 4 Li 0.50000000000000 0.13833550785014 0.00000000000000 6.941 > 2 5 Li 0.50000000000000 0.13833550785014 0.33333333333333 6.941 > 2 6 Li 0.50000000000000 0.13833550785014 0.66666666666667 6.941 > 2 7 Li 0.50000000000000 0.86166449214986 0.00000000000000 6.941 > 3 8 Li 0.50000000000000 0.86166449214986 0.33333333333333 6.941 > 3 9 Li 0.50000000000000 0.86166449214986 0.66666666666667 6.941 > 3 10 Li 0.36166449214986 0.00000000000000 0.16666666666667 6.941 > 4 11 Li 0.36166449214986 0.00000000000000 0.50000000000000 6.941 > 4 12 Li 0.36166449214986 0.00000000000000 0.83333333333333 6.941 > 4 13 Li 0.13833550785014 0.50000000000000 0.00000000000000 6.941 > 1 14 Li 0.13833550785014 0.50000000000000 0.33333333333333 6.941 > 1 15 Li 0.13833550785014 0.50000000000000 0.66666666666667 6.941 > 1 16 Li 0.00000000000000 0.63833550785014 0.16666666666667 6.941 > 2 17 Li 0.00000000000000 0.63833550785014 0.50000000000000 6.941 > 2 18 Li 0.00000000000000 0.63833550785014 0.83333333333333 6.941 > 2 19 Li 0.00000000000000 0.36166449214986 0.16666666666667 6.941 > 3 20 Li 0.00000000000000 0.36166449214986 0.50000000000000 6.941 > 3 21 Li 0.00000000000000 0.36166449214986 0.83333333333333 6.941 > 3 22 Li 0.86166449214986 0.50000000000000 0.00000000000000 6.941 > 4 23 Li 0.86166449214986 0.50000000000000 0.33333333333333 6.941 > 4 24 Li 0.86166449214986 0.50000000000000 0.66666666666667 6.941 > 4 *25 Ag 0.33792106099608 0.66207893900392 0.16666666666667 107.868 > 5 26 Ag 0.33792106099608 0.66207893900392 0.50000000000000 107.868 > 5 27 Ag 0.33792106099608 0.66207893900392 0.83333333333333 107.868 > 5 28 Ag 0.33792106099608 0.33792106099608 0.16666666666667 107.868 > 6 29 Ag 0.33792106099608 0.33792106099608 0.50000000000000 107.868 > 6 30 Ag 0.33792106099608 0.33792106099608 0.83333333333333 107.868 > 6 31 Ag 0.16207893900392 0.83792106099608 0.00000000000000 107.868 > 7 32 Ag 0.16207893900392 0.83792106099608 0.33333333333333 107.868 > 7 33 Ag 0.16207893900392 0.83792106099608 0.66666666666667 107.868 > 7 34 Ag 0.16207893900392 0.16207893900392 0.00000000000000 107.868 > 8 35 Ag 0.16207893900392 0.16207893900392 0.33333333333333 107.868 > 8 36 Ag 0.16207893900392 0.16207893900392 0.66666666666667 107.868 > 8 37 Ag 0.83792106099608 0.16207893900392 0.00000000000000 107.868 > 5 38 Ag 0.83792106099608 0.16207893900392 0.33333333333333 107.868 > 5 39 Ag 0.83792106099608 0.16207893900392 0.66666666666667 107.868 > 5 40 Ag 0.83792106099608 0.83792106099608 0.00000000000000 107.868 > 6 41 Ag 0.83792106099608 0.83792106099608 0.33333333333333 107.868 > 6 42 Ag 0.83792106099608 0.83792106099608 0.66666666666667 107.868 > 6 43 Ag 0.66207893900392 0.33792106099608 0.16666666666667 107.868 > 7 44 Ag 0.66207893900392 0.33792106099608 0.50000000000000 107.868 > 7 45 Ag 0.66207893900392 0.33792106099608 0.83333333333333 107.868 > 7 46 Ag 0.66207893900392 0.66207893900392 0.16666666666667 107.868 > 8 47 Ag 0.66207893900392 0.66207893900392 0.50000000000000 107.868 > 8 48 Ag 0.66207893900392 0.66207893900392 0.83333333333333 107.868 > 8 *49 O 0.67780976430395 0.00000000000000 0.00000000000000 15.999 > 9 50 O 0.67780976430395 0.00000000000000 0.33333333333333 15.999 > 9 51 O 0.67780976430395 0.00000000000000 0.66666666666667 15.999 > 9 52 O 0.50000000000000 0.17780976430394 0.16666666666667 15.999 > 10 53 O 0.50000000000000 0.17780976430394 0.50000000000000 15.999 > 10 54 O 0.50000000000000 0.17780976430394 0.83333333333333 15.999 > 10 55 O 0.50000000000000 0.82219023569605 0.16666666666667 15.999 > 11 56 O 0.50000000000000 0.82219023569605 0.50000000000000 15.999 > 11 57 O 0.50000000000000 0.82219023569605 0.83333333333333 15.999 > 11 58 O 0.32219023569605 0.00000000000000 0.00000000000000 15.999 > 12 59 O 0.32219023569605 0.00000000000000 0.33333333333333 15.999 > 12 60 O 0.32219023569605 0.00000000000000 0.66666666666667 15.999 > 12 61 O 0.17780976430394 0.50000000000000 0.16666666666667 15.999 > 9 62 O 0.17780976430394 0.50000000000000 0.50000000000000 15.999 > 9 63 O 0.17780976430394 0.50000000000000 0.83333333333333 15.999 > 9 64 O 0.00000000000000 0.67780976430395 0.00000000000000 15.999 > 10 65 O 0.00000000000000 0.67780976430395 0.33333333333333 15.999 > 10 66 O 0.00000000000000 0.67780976430395 0.66666666666667 15.999 > 10 67 O 0.00000000000000 0.32219023569605 0.00000000000000 15.999 > 11 68 O 0.00000000000000 0.32219023569605 0.33333333333333 15.999 > 11 69 O 0.00000000000000 0.32219023569605 0.66666666666667 15.999 > 11 70 O 0.82219023569605 0.50000000000000 0.16666666666667 15.999 > 12 71 O 0.82219023569605 0.50000000000000 0.50000000000000 15.999 > 12 72 O 0.82219023569605 0.50000000000000 0.83333333333333 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.0436181 0.0000000 0.0000000 0.0000000 6.0436181 0.0000000 0.0000000 0.0000000 4.9326108 -------------------------- Born effective charges -------------------------- 1 Li 0.9073307 0.0000000 0.0000000 0.0000000 1.2863375 0.0000000 0.0000000 0.0000000 1.0905393 2 Li 1.2863375 0.0000000 0.0000000 0.0000000 0.9073307 0.0000000 0.0000000 0.0000000 1.0905393 3 Li 1.2863375 0.0000000 0.0000000 0.0000000 0.9073307 0.0000000 0.0000000 0.0000000 1.0905393 4 Li 0.9073307 0.0000000 0.0000000 0.0000000 1.2863375 0.0000000 0.0000000 0.0000000 1.0905393 5 Ag 1.0349170 0.7241895 0.0000000 0.7241895 1.0349170 0.0000000 0.0000000 0.0000000 0.1610642 6 Ag 1.0349170 -0.7241895 0.0000000 -0.7241895 1.0349170 0.0000000 0.0000000 0.0000000 0.1610642 7 Ag 1.0349170 0.7241895 0.0000000 0.7241895 1.0349170 0.0000000 0.0000000 0.0000000 0.1610642 8 Ag 1.0349170 -0.7241895 0.0000000 -0.7241895 1.0349170 0.0000000 0.0000000 0.0000000 0.1610642 9 O -1.7284606 0.0000000 0.0000000 0.0000000 -2.5350418 0.0000000 0.0000000 0.0000000 -1.2516035 10 O -2.5350418 0.0000000 0.0000000 0.0000000 -1.7284606 0.0000000 0.0000000 0.0000000 -1.2516035 11 O -2.5350418 0.0000000 0.0000000 0.0000000 -1.7284606 0.0000000 0.0000000 0.0000000 -1.2516035 12 O -1.7284606 0.0000000 0.0000000 0.0000000 -2.5350418 0.0000000 0.0000000 0.0000000 -1.2516035 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 216/216 Permutation basis: 4626/4626 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 316 Number of blocks in projector: 316 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: 112 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 72 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 68 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 64 Use standard eigh solver. Tree of FC basis block matrices: - (316, 307), data: False |-- (64, 61), data: True |-- (68, 67), data: True |-- (72, 72), data: True |-- (112, 107), data: True ----- Solver_atoms: 1 -- 72 / 72 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 160 - Time: 0.152 Solver_block: 160 / 160 - Time: 0.108 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.264 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 216/216 Permutation basis: 4626/4626 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 316 Number of blocks in projector: 316 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: 112 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 72 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 68 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 64 Use standard eigh solver. Tree of FC basis block matrices: - (316, 307), data: False |-- (64, 61), data: True |-- (68, 67), data: True |-- (72, 72), data: True |-- (112, 107), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) 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 2026-01-09 02:45:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:45:09]------------------------- 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): [1 1 3] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/mmm (139) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.542281985000001 4.542281985000001 1.892314330000000 b 4.542281985000001 -4.542281985000001 1.892314330000000 c 4.542281985000001 4.542281985000001 -1.892314330000000 Atomic positions (fractional): 1 Li 0.50000000000000 0.13833550785014 0.63833550785014 6.941 2 Li 0.13833550785014 0.50000000000000 0.63833550785014 6.941 3 Li 0.86166449214986 0.50000000000000 0.36166449214986 6.941 4 Li 0.50000000000000 0.86166449214986 0.36166449214986 6.941 5 Ag 0.16207893900392 0.83792106099608 0.00000000000000 107.868 6 Ag 0.83792106099608 0.83792106099608 0.67584212199215 107.868 7 Ag 0.83792106099608 0.16207893900392 0.00000000000000 107.868 8 Ag 0.16207893900392 0.16207893900392 0.32415787800785 107.868 9 O 0.00000000000000 0.67780976430395 0.67780976430395 15.999 10 O 0.67780976430394 0.00000000000000 0.67780976430395 15.999 11 O 0.32219023569605 0.00000000000000 0.32219023569605 15.999 12 O 0.00000000000000 0.32219023569605 0.32219023569605 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.084563970000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.084563970000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.353885980000001 Atomic positions (fractional): 1 Li 0.63833550785014 0.00000000000000 0.16666666666667 6.941 > 1 2 Li 0.63833550785014 0.00000000000000 0.50000000000000 6.941 > 1 3 Li 0.63833550785014 0.00000000000000 0.83333333333333 6.941 > 1 4 Li 0.50000000000000 0.13833550785014 0.00000000000000 6.941 > 4 5 Li 0.50000000000000 0.13833550785014 0.33333333333333 6.941 > 4 6 Li 0.50000000000000 0.13833550785014 0.66666666666667 6.941 > 4 7 Li 0.50000000000000 0.86166449214986 0.00000000000000 6.941 > 7 8 Li 0.50000000000000 0.86166449214986 0.33333333333333 6.941 > 7 9 Li 0.50000000000000 0.86166449214986 0.66666666666667 6.941 > 7 10 Li 0.36166449214986 0.00000000000000 0.16666666666667 6.941 > 10 11 Li 0.36166449214986 0.00000000000000 0.50000000000000 6.941 > 10 12 Li 0.36166449214986 0.00000000000000 0.83333333333333 6.941 > 10 13 Li 0.13833550785014 0.50000000000000 0.00000000000000 6.941 > 1 14 Li 0.13833550785014 0.50000000000000 0.33333333333333 6.941 > 1 15 Li 0.13833550785014 0.50000000000000 0.66666666666667 6.941 > 1 16 Li 0.00000000000000 0.63833550785014 0.16666666666667 6.941 > 4 17 Li 0.00000000000000 0.63833550785014 0.50000000000000 6.941 > 4 18 Li 0.00000000000000 0.63833550785014 0.83333333333333 6.941 > 4 19 Li 0.00000000000000 0.36166449214986 0.16666666666667 6.941 > 7 20 Li 0.00000000000000 0.36166449214986 0.50000000000000 6.941 > 7 21 Li 0.00000000000000 0.36166449214986 0.83333333333333 6.941 > 7 22 Li 0.86166449214986 0.50000000000000 0.00000000000000 6.941 > 10 23 Li 0.86166449214986 0.50000000000000 0.33333333333333 6.941 > 10 24 Li 0.86166449214986 0.50000000000000 0.66666666666667 6.941 > 10 25 Ag 0.33792106099608 0.66207893900392 0.16666666666667 107.868 > 25 26 Ag 0.33792106099608 0.66207893900392 0.50000000000000 107.868 > 25 27 Ag 0.33792106099608 0.66207893900392 0.83333333333333 107.868 > 25 28 Ag 0.33792106099608 0.33792106099608 0.16666666666667 107.868 > 28 29 Ag 0.33792106099608 0.33792106099608 0.50000000000000 107.868 > 28 30 Ag 0.33792106099608 0.33792106099608 0.83333333333333 107.868 > 28 31 Ag 0.16207893900392 0.83792106099608 0.00000000000000 107.868 > 31 32 Ag 0.16207893900392 0.83792106099608 0.33333333333333 107.868 > 31 33 Ag 0.16207893900392 0.83792106099608 0.66666666666667 107.868 > 31 34 Ag 0.16207893900392 0.16207893900392 0.00000000000000 107.868 > 34 35 Ag 0.16207893900392 0.16207893900392 0.33333333333333 107.868 > 34 36 Ag 0.16207893900392 0.16207893900392 0.66666666666667 107.868 > 34 37 Ag 0.83792106099608 0.16207893900392 0.00000000000000 107.868 > 25 38 Ag 0.83792106099608 0.16207893900392 0.33333333333333 107.868 > 25 39 Ag 0.83792106099608 0.16207893900392 0.66666666666667 107.868 > 25 40 Ag 0.83792106099608 0.83792106099608 0.00000000000000 107.868 > 28 41 Ag 0.83792106099608 0.83792106099608 0.33333333333333 107.868 > 28 42 Ag 0.83792106099608 0.83792106099608 0.66666666666667 107.868 > 28 43 Ag 0.66207893900392 0.33792106099608 0.16666666666667 107.868 > 31 44 Ag 0.66207893900392 0.33792106099608 0.50000000000000 107.868 > 31 45 Ag 0.66207893900392 0.33792106099608 0.83333333333333 107.868 > 31 46 Ag 0.66207893900392 0.66207893900392 0.16666666666667 107.868 > 34 47 Ag 0.66207893900392 0.66207893900392 0.50000000000000 107.868 > 34 48 Ag 0.66207893900392 0.66207893900392 0.83333333333333 107.868 > 34 49 O 0.67780976430395 0.00000000000000 0.00000000000000 15.999 > 49 50 O 0.67780976430395 0.00000000000000 0.33333333333333 15.999 > 49 51 O 0.67780976430395 0.00000000000000 0.66666666666667 15.999 > 49 52 O 0.50000000000000 0.17780976430394 0.16666666666667 15.999 > 52 53 O 0.50000000000000 0.17780976430394 0.50000000000000 15.999 > 52 54 O 0.50000000000000 0.17780976430394 0.83333333333333 15.999 > 52 55 O 0.50000000000000 0.82219023569605 0.16666666666667 15.999 > 55 56 O 0.50000000000000 0.82219023569605 0.50000000000000 15.999 > 55 57 O 0.50000000000000 0.82219023569605 0.83333333333333 15.999 > 55 58 O 0.32219023569605 0.00000000000000 0.00000000000000 15.999 > 58 59 O 0.32219023569605 0.00000000000000 0.33333333333333 15.999 > 58 60 O 0.32219023569605 0.00000000000000 0.66666666666667 15.999 > 58 61 O 0.17780976430394 0.50000000000000 0.16666666666667 15.999 > 49 62 O 0.17780976430394 0.50000000000000 0.50000000000000 15.999 > 49 63 O 0.17780976430394 0.50000000000000 0.83333333333333 15.999 > 49 64 O 0.00000000000000 0.67780976430395 0.00000000000000 15.999 > 52 65 O 0.00000000000000 0.67780976430395 0.33333333333333 15.999 > 52 66 O 0.00000000000000 0.67780976430395 0.66666666666667 15.999 > 52 67 O 0.00000000000000 0.32219023569605 0.00000000000000 15.999 > 55 68 O 0.00000000000000 0.32219023569605 0.33333333333333 15.999 > 55 69 O 0.00000000000000 0.32219023569605 0.66666666666667 15.999 > 55 70 O 0.82219023569605 0.50000000000000 0.16666666666667 15.999 > 58 71 O 0.82219023569605 0.50000000000000 0.50000000000000 15.999 > 58 72 O 0.82219023569605 0.50000000000000 0.83333333333333 15.999 > 58 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.0436181 0.0000000 0.0000000 0.0000000 6.0436181 0.0000000 0.0000000 0.0000000 4.9326108 -------------------------- Born effective charges -------------------------- 1 Li 0.9073307 0.0000000 0.0000000 0.0000000 1.2863375 0.0000000 0.0000000 0.0000000 1.0905393 2 Li 1.2863375 0.0000000 0.0000000 0.0000000 0.9073307 0.0000000 0.0000000 0.0000000 1.0905393 3 Li 1.2863375 0.0000000 0.0000000 0.0000000 0.9073307 0.0000000 0.0000000 0.0000000 1.0905393 4 Li 0.9073307 0.0000000 0.0000000 0.0000000 1.2863375 0.0000000 0.0000000 0.0000000 1.0905393 5 Ag 1.0349170 0.7241895 0.0000000 0.7241895 1.0349170 0.0000000 0.0000000 0.0000000 0.1610642 6 Ag 1.0349170 -0.7241895 0.0000000 -0.7241895 1.0349170 0.0000000 0.0000000 0.0000000 0.1610642 7 Ag 1.0349170 0.7241895 0.0000000 0.7241895 1.0349170 0.0000000 0.0000000 0.0000000 0.1610642 8 Ag 1.0349170 -0.7241895 0.0000000 -0.7241895 1.0349170 0.0000000 0.0000000 0.0000000 0.1610642 9 O -1.7284606 0.0000000 0.0000000 0.0000000 -2.5350418 0.0000000 0.0000000 0.0000000 -1.2516035 10 O -2.5350418 0.0000000 0.0000000 0.0000000 -1.7284606 0.0000000 0.0000000 0.0000000 -1.2516035 11 O -2.5350418 0.0000000 0.0000000 0.0000000 -1.7284606 0.0000000 0.0000000 0.0000000 -1.2516035 12 O -1.7284606 0.0000000 0.0000000 0.0000000 -2.5350418 0.0000000 0.0000000 0.0000000 -1.2516035 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:45:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:45:14]------------------------- 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): [1 1 3] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/mmm (139) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.542281985000001 4.542281985000001 1.892314330000000 b 4.542281985000001 -4.542281985000001 1.892314330000000 c 4.542281985000001 4.542281985000001 -1.892314330000000 Atomic positions (fractional): 1 Li 0.50000000000000 0.13833550785014 0.63833550785014 6.941 2 Li 0.13833550785014 0.50000000000000 0.63833550785014 6.941 3 Li 0.86166449214986 0.50000000000000 0.36166449214986 6.941 4 Li 0.50000000000000 0.86166449214986 0.36166449214986 6.941 5 Ag 0.16207893900392 0.83792106099608 0.00000000000000 107.868 6 Ag 0.83792106099608 0.83792106099608 0.67584212199215 107.868 7 Ag 0.83792106099608 0.16207893900392 0.00000000000000 107.868 8 Ag 0.16207893900392 0.16207893900392 0.32415787800785 107.868 9 O 0.00000000000000 0.67780976430395 0.67780976430395 15.999 10 O 0.67780976430394 0.00000000000000 0.67780976430395 15.999 11 O 0.32219023569605 0.00000000000000 0.32219023569605 15.999 12 O 0.00000000000000 0.32219023569605 0.32219023569605 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.084563970000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.084563970000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.353885980000001 Atomic positions (fractional): 1 Li 0.63833550785014 0.00000000000000 0.16666666666667 6.941 > 1 2 Li 0.63833550785014 0.00000000000000 0.50000000000000 6.941 > 1 3 Li 0.63833550785014 0.00000000000000 0.83333333333333 6.941 > 1 4 Li 0.50000000000000 0.13833550785014 0.00000000000000 6.941 > 4 5 Li 0.50000000000000 0.13833550785014 0.33333333333333 6.941 > 4 6 Li 0.50000000000000 0.13833550785014 0.66666666666667 6.941 > 4 7 Li 0.50000000000000 0.86166449214986 0.00000000000000 6.941 > 7 8 Li 0.50000000000000 0.86166449214986 0.33333333333333 6.941 > 7 9 Li 0.50000000000000 0.86166449214986 0.66666666666667 6.941 > 7 10 Li 0.36166449214986 0.00000000000000 0.16666666666667 6.941 > 10 11 Li 0.36166449214986 0.00000000000000 0.50000000000000 6.941 > 10 12 Li 0.36166449214986 0.00000000000000 0.83333333333333 6.941 > 10 13 Li 0.13833550785014 0.50000000000000 0.00000000000000 6.941 > 1 14 Li 0.13833550785014 0.50000000000000 0.33333333333333 6.941 > 1 15 Li 0.13833550785014 0.50000000000000 0.66666666666667 6.941 > 1 16 Li 0.00000000000000 0.63833550785014 0.16666666666667 6.941 > 4 17 Li 0.00000000000000 0.63833550785014 0.50000000000000 6.941 > 4 18 Li 0.00000000000000 0.63833550785014 0.83333333333333 6.941 > 4 19 Li 0.00000000000000 0.36166449214986 0.16666666666667 6.941 > 7 20 Li 0.00000000000000 0.36166449214986 0.50000000000000 6.941 > 7 21 Li 0.00000000000000 0.36166449214986 0.83333333333333 6.941 > 7 22 Li 0.86166449214986 0.50000000000000 0.00000000000000 6.941 > 10 23 Li 0.86166449214986 0.50000000000000 0.33333333333333 6.941 > 10 24 Li 0.86166449214986 0.50000000000000 0.66666666666667 6.941 > 10 25 Ag 0.33792106099608 0.66207893900392 0.16666666666667 107.868 > 25 26 Ag 0.33792106099608 0.66207893900392 0.50000000000000 107.868 > 25 27 Ag 0.33792106099608 0.66207893900392 0.83333333333333 107.868 > 25 28 Ag 0.33792106099608 0.33792106099608 0.16666666666667 107.868 > 28 29 Ag 0.33792106099608 0.33792106099608 0.50000000000000 107.868 > 28 30 Ag 0.33792106099608 0.33792106099608 0.83333333333333 107.868 > 28 31 Ag 0.16207893900392 0.83792106099608 0.00000000000000 107.868 > 31 32 Ag 0.16207893900392 0.83792106099608 0.33333333333333 107.868 > 31 33 Ag 0.16207893900392 0.83792106099608 0.66666666666667 107.868 > 31 34 Ag 0.16207893900392 0.16207893900392 0.00000000000000 107.868 > 34 35 Ag 0.16207893900392 0.16207893900392 0.33333333333333 107.868 > 34 36 Ag 0.16207893900392 0.16207893900392 0.66666666666667 107.868 > 34 37 Ag 0.83792106099608 0.16207893900392 0.00000000000000 107.868 > 25 38 Ag 0.83792106099608 0.16207893900392 0.33333333333333 107.868 > 25 39 Ag 0.83792106099608 0.16207893900392 0.66666666666667 107.868 > 25 40 Ag 0.83792106099608 0.83792106099608 0.00000000000000 107.868 > 28 41 Ag 0.83792106099608 0.83792106099608 0.33333333333333 107.868 > 28 42 Ag 0.83792106099608 0.83792106099608 0.66666666666667 107.868 > 28 43 Ag 0.66207893900392 0.33792106099608 0.16666666666667 107.868 > 31 44 Ag 0.66207893900392 0.33792106099608 0.50000000000000 107.868 > 31 45 Ag 0.66207893900392 0.33792106099608 0.83333333333333 107.868 > 31 46 Ag 0.66207893900392 0.66207893900392 0.16666666666667 107.868 > 34 47 Ag 0.66207893900392 0.66207893900392 0.50000000000000 107.868 > 34 48 Ag 0.66207893900392 0.66207893900392 0.83333333333333 107.868 > 34 49 O 0.67780976430395 0.00000000000000 0.00000000000000 15.999 > 49 50 O 0.67780976430395 0.00000000000000 0.33333333333333 15.999 > 49 51 O 0.67780976430395 0.00000000000000 0.66666666666667 15.999 > 49 52 O 0.50000000000000 0.17780976430394 0.16666666666667 15.999 > 52 53 O 0.50000000000000 0.17780976430394 0.50000000000000 15.999 > 52 54 O 0.50000000000000 0.17780976430394 0.83333333333333 15.999 > 52 55 O 0.50000000000000 0.82219023569605 0.16666666666667 15.999 > 55 56 O 0.50000000000000 0.82219023569605 0.50000000000000 15.999 > 55 57 O 0.50000000000000 0.82219023569605 0.83333333333333 15.999 > 55 58 O 0.32219023569605 0.00000000000000 0.00000000000000 15.999 > 58 59 O 0.32219023569605 0.00000000000000 0.33333333333333 15.999 > 58 60 O 0.32219023569605 0.00000000000000 0.66666666666667 15.999 > 58 61 O 0.17780976430394 0.50000000000000 0.16666666666667 15.999 > 49 62 O 0.17780976430394 0.50000000000000 0.50000000000000 15.999 > 49 63 O 0.17780976430394 0.50000000000000 0.83333333333333 15.999 > 49 64 O 0.00000000000000 0.67780976430395 0.00000000000000 15.999 > 52 65 O 0.00000000000000 0.67780976430395 0.33333333333333 15.999 > 52 66 O 0.00000000000000 0.67780976430395 0.66666666666667 15.999 > 52 67 O 0.00000000000000 0.32219023569605 0.00000000000000 15.999 > 55 68 O 0.00000000000000 0.32219023569605 0.33333333333333 15.999 > 55 69 O 0.00000000000000 0.32219023569605 0.66666666666667 15.999 > 55 70 O 0.82219023569605 0.50000000000000 0.16666666666667 15.999 > 58 71 O 0.82219023569605 0.50000000000000 0.50000000000000 15.999 > 58 72 O 0.82219023569605 0.50000000000000 0.83333333333333 15.999 > 58 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.0436181 0.0000000 0.0000000 0.0000000 6.0436181 0.0000000 0.0000000 0.0000000 4.9326108 -------------------------- Born effective charges -------------------------- 1 Li 0.9073307 0.0000000 0.0000000 0.0000000 1.2863375 0.0000000 0.0000000 0.0000000 1.0905393 2 Li 1.2863375 0.0000000 0.0000000 0.0000000 0.9073307 0.0000000 0.0000000 0.0000000 1.0905393 3 Li 1.2863375 0.0000000 0.0000000 0.0000000 0.9073307 0.0000000 0.0000000 0.0000000 1.0905393 4 Li 0.9073307 0.0000000 0.0000000 0.0000000 1.2863375 0.0000000 0.0000000 0.0000000 1.0905393 5 Ag 1.0349170 0.7241895 0.0000000 0.7241895 1.0349170 0.0000000 0.0000000 0.0000000 0.1610642 6 Ag 1.0349170 -0.7241895 0.0000000 -0.7241895 1.0349170 0.0000000 0.0000000 0.0000000 0.1610642 7 Ag 1.0349170 0.7241895 0.0000000 0.7241895 1.0349170 0.0000000 0.0000000 0.0000000 0.1610642 8 Ag 1.0349170 -0.7241895 0.0000000 -0.7241895 1.0349170 0.0000000 0.0000000 0.0000000 0.1610642 9 O -1.7284606 0.0000000 0.0000000 0.0000000 -2.5350418 0.0000000 0.0000000 0.0000000 -1.2516035 10 O -2.5350418 0.0000000 0.0000000 0.0000000 -1.7284606 0.0000000 0.0000000 0.0000000 -1.2516035 11 O -2.5350418 0.0000000 0.0000000 0.0000000 -1.7284606 0.0000000 0.0000000 0.0000000 -1.2516035 12 O -1.7284606 0.0000000 0.0000000 0.0000000 -2.5350418 0.0000000 0.0000000 0.0000000 -1.2516035 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... Generalized regular grid: [ 1 6 156 ] Grid generation matrix: [ 0 6 6 ] [ 6 0 6 ] [ 13 13 0 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.77, Number of G-points: 295, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/112) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.106 ( 0.000 0.000 0.000) 0.000 2.267 ( 0.000 0.000 0.000) 0.000 2.625 ( 0.000 0.000 0.000) 0.000 2.625 ( 0.000 0.000 0.000) 0.000 2.838 ( 0.000 0.000 0.000) 0.000 3.118 ( 0.000 0.000 0.000) 0.000 3.118 ( 0.000 0.000 0.000) 0.000 3.194 ( 0.000 0.000 0.000) 0.000 3.543 ( 0.000 0.000 0.000) 0.000 5.379 ( 0.000 0.000 0.000) 0.000 6.944 ( 0.000 0.000 0.000) 0.000 7.348 ( 0.000 0.000 0.000) 0.000 7.348 ( 0.000 0.000 0.000) 0.000 9.249 ( 0.000 0.000 0.000) 0.000 9.249 ( 0.000 0.000 0.000) 0.000 9.250 ( 0.000 0.000 0.000) 0.000 9.995 ( 0.000 0.000 0.000) 0.000 9.995 ( 0.000 0.000 0.000) 0.000 10.368 ( 0.000 0.000 0.000) 0.000 11.502 ( 0.000 0.000 0.000) 0.000 13.195 ( 0.000 0.000 0.000) 0.000 13.399 ( 0.000 0.000 0.000) 0.000 13.463 ( 0.000 0.000 0.000) 0.000 13.463 ( 0.000 0.000 0.000) 0.000 14.149 ( 0.000 0.000 0.000) 0.000 14.342 ( 0.000 0.000 0.000) 0.000 14.342 ( 0.000 0.000 0.000) 0.000 14.406 ( 0.000 0.000 0.000) 0.000 16.498 ( 0.000 0.000 0.000) 0.000 16.710 ( 0.000 0.000 0.000) 0.000 17.375 ( 0.000 0.000 0.000) 0.000 17.375 ( 0.000 0.000 0.000) 0.000 18.658 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/112) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 11.277 11.277 0.000) 15.948 0.447 ( 13.404 13.404 0.000) 18.957 1.318 ( 30.934 30.934 0.000) 43.748 2.220 ( 1.045 1.045 0.000) 1.478 2.231 ( -1.911 -1.911 0.000) 2.702 2.645 ( 1.041 1.041 0.000) 1.472 2.663 ( 1.954 1.954 0.000) 2.763 2.741 ( -2.415 -2.415 0.000) 3.415 2.991 ( 2.081 2.081 0.000) 2.942 3.355 ( 10.329 10.329 0.000) 14.608 3.428 ( 6.731 6.731 0.000) 9.519 3.515 ( -0.983 -0.983 0.000) 1.390 5.142 ( -11.215 -11.215 0.000) 15.861 6.919 ( -1.361 -1.361 0.000) 1.925 7.172 ( -8.381 -8.381 0.000) 11.852 7.477 ( 5.768 5.768 0.000) 8.157 9.231 ( -0.878 -0.878 0.000) 1.241 9.360 ( 4.996 4.996 0.000) 7.066 9.404 ( -8.767 -8.767 0.000) 12.398 9.991 ( -0.137 -0.137 0.000) 0.193 10.183 ( -4.279 -4.279 0.000) 6.052 10.401 ( 1.007 1.007 0.000) 1.424 11.493 ( -1.683 -1.683 0.000) 2.380 12.597 ( -20.557 -20.557 0.000) 29.071 13.195 ( -0.568 -0.568 0.000) 0.803 13.550 ( 1.317 1.317 0.000) 1.863 13.856 ( 4.436 4.436 0.000) 6.273 14.327 ( -0.736 -0.736 0.000) 1.041 14.568 ( 7.146 7.146 0.000) 10.106 14.572 ( 17.947 17.947 0.000) 25.382 16.192 ( -11.074 -11.074 0.000) 15.661 16.689 ( -1.035 -1.035 0.000) 1.463 17.065 ( 8.365 8.365 0.000) 11.830 17.358 ( -0.823 -0.823 0.000) 1.163 17.396 ( 1.016 1.016 0.000) 1.437 18.671 ( 0.605 0.605 0.000) 0.856 ======================= Grid point 2 (3/112) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 8.612 8.612 0.000) 12.179 0.966 ( 14.428 14.428 0.000) 20.404 1.992 ( -11.095 -11.095 0.000) 15.691 2.065 ( 8.914 8.914 0.000) 12.606 2.136 ( -2.919 -2.919 0.000) 4.128 2.689 ( 1.148 1.148 0.000) 1.623 2.746 ( 2.141 2.141 0.000) 3.028 2.785 ( 5.021 5.021 0.000) 7.101 3.287 ( 8.848 8.848 0.000) 12.513 3.407 ( -2.868 -2.868 0.000) 4.056 3.665 ( 6.447 6.447 0.000) 9.117 3.894 ( 15.545 15.545 0.000) 21.984 4.712 ( -10.249 -10.249 0.000) 14.494 6.852 ( -7.541 -7.541 0.000) 10.665 6.853 ( -1.966 -1.966 0.000) 2.780 7.678 ( 4.331 4.331 0.000) 6.125 8.944 ( -13.852 -13.852 0.000) 19.590 9.196 ( -0.873 -0.873 0.000) 1.235 9.538 ( 3.947 3.947 0.000) 5.582 9.989 ( 0.040 0.040 0.000) 0.057 10.082 ( -1.215 -1.215 0.000) 1.718 10.434 ( 0.738 0.738 0.000) 1.044 11.268 ( -9.571 -9.571 0.000) 13.536 12.140 ( -4.345 -4.345 0.000) 6.145 13.151 ( -1.312 -1.312 0.000) 1.855 13.673 ( 4.291 4.291 0.000) 6.069 13.975 ( 2.592 2.592 0.000) 3.666 14.289 ( -1.219 -1.219 0.000) 1.724 14.818 ( 5.490 5.490 0.000) 7.764 15.138 ( 11.306 11.306 0.000) 15.989 15.815 ( -8.542 -8.542 0.000) 12.081 16.649 ( -0.926 -0.926 0.000) 1.310 17.316 ( 4.930 4.930 0.000) 6.972 17.325 ( -0.793 -0.793 0.000) 1.121 17.435 ( 0.909 0.909 0.000) 1.286 18.694 ( 0.576 0.576 0.000) 0.814 ======================= Grid point 3 (4/112) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 0.000 0.000 0.000) 0.000 1.414 ( -0.000 -0.000 0.000) 0.000 1.597 ( 0.000 0.000 0.000) 0.000 2.067 ( 0.000 0.000 0.000) 0.000 2.179 ( -0.000 -0.000 0.000) 0.000 2.714 ( 0.000 0.000 0.000) 0.000 2.790 ( 0.000 0.000 0.000) 0.000 2.927 ( 0.000 0.000 0.000) 0.000 3.332 ( 0.000 0.000 0.000) 0.000 3.445 ( -0.000 -0.000 0.000) 0.000 3.822 ( 0.000 0.000 0.000) 0.000 4.245 ( 0.000 0.000 0.000) 0.000 4.506 ( 0.000 0.000 0.000) 0.000 6.702 ( 0.000 0.000 0.000) 0.000 6.808 ( 0.000 0.000 0.000) 0.000 7.761 ( 0.000 0.000 0.000) 0.000 8.637 ( 0.000 0.000 0.000) 0.000 9.178 ( 0.000 0.000 0.000) 0.000 9.615 ( 0.000 0.000 0.000) 0.000 9.991 ( 0.000 0.000 0.000) 0.000 10.065 ( 0.000 0.000 0.000) 0.000 10.449 ( 0.000 0.000 0.000) 0.000 11.049 ( 0.000 0.000 0.000) 0.000 12.092 ( 0.000 0.000 0.000) 0.000 13.124 ( 0.000 0.000 0.000) 0.000 13.769 ( 0.000 0.000 0.000) 0.000 14.031 ( 0.000 0.000 0.000) 0.000 14.259 ( 0.000 0.000 0.000) 0.000 14.926 ( 0.000 0.000 0.000) 0.000 15.350 ( 0.000 0.000 0.000) 0.000 15.642 ( 0.000 0.000 0.000) 0.000 16.631 ( 0.000 0.000 0.000) 0.000 17.309 ( 0.000 0.000 0.000) 0.000 17.409 ( 0.000 0.000 0.000) 0.000 17.453 ( 0.000 0.000 0.000) 0.000 18.706 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/112) ======================= q-point: ( 0.16 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -0.000 15.011 12.080) 19.268 0.893 ( -0.000 17.575 13.595) 22.219 1.505 ( -0.000 15.339 17.339) 23.150 2.154 ( 0.000 -1.344 -4.097) 4.311 2.413 ( -0.000 5.565 8.280) 9.976 2.610 ( 0.000 0.358 -1.520) 1.561 2.630 ( -0.000 2.151 -1.033) 2.386 2.775 ( 0.000 -4.055 0.187) 4.059 3.130 ( -0.000 -3.693 5.894) 6.955 3.300 ( -0.000 8.024 4.446) 9.174 3.460 ( -0.000 6.181 3.272) 6.994 3.520 ( -0.000 3.558 0.335) 3.574 6.330 ( -0.000 -13.640 49.430) 51.277 7.157 ( -0.000 -1.248 10.895) 10.967 7.664 ( -0.000 -1.227 13.169) 13.226 7.711 ( -0.000 2.134 14.459) 14.616 9.328 ( -0.000 3.702 2.627) 4.540 9.468 ( -0.000 -2.481 9.930) 10.235 9.519 ( -0.000 1.240 6.201) 6.324 9.947 ( -0.000 0.341 -0.214) 0.402 10.011 ( -0.000 5.322 -1.551) 5.544 10.194 ( 0.000 -0.311 -8.169) 8.175 11.888 ( -0.000 3.073 14.615) 14.935 12.921 ( 0.000 -26.567 1.647) 26.618 12.926 ( 0.000 -6.468 -8.657) 10.807 13.320 ( 0.000 -5.123 -2.848) 5.861 13.913 ( -0.000 19.404 -1.143) 19.438 14.014 ( 0.000 -7.314 -5.972) 9.442 14.421 ( -0.000 8.466 4.652) 9.659 14.594 ( -0.000 19.335 -9.486) 21.537 14.606 ( -0.000 16.005 -2.347) 16.176 15.968 ( 0.000 -1.933 -19.898) 19.991 17.275 ( 0.000 1.148 -5.420) 5.540 17.276 ( 0.000 1.371 -4.674) 4.871 18.401 ( 0.000 0.430 -11.713) 11.721 18.471 ( 0.000 -8.676 6.822) 11.037 ======================= Grid point 8 (6/112) ======================= q-point: ( 0.16 -0.01 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 0.782 16.522 10.702) 19.701 1.313 ( 4.698 13.661 8.922) 16.980 1.916 ( 3.313 11.467 3.058) 12.322 2.147 ( 3.165 1.120 -0.928) 3.483 2.411 ( -12.228 1.209 6.578) 13.938 2.633 ( 1.169 1.889 -2.585) 3.409 2.653 ( -0.034 1.783 -1.322) 2.219 2.733 ( 0.443 1.484 0.788) 1.737 3.246 ( 7.637 10.406 4.856) 13.791 3.426 ( -0.704 -4.160 -0.650) 4.269 3.582 ( 9.188 6.878 3.713) 12.062 3.737 ( 3.360 13.652 2.452) 14.272 5.988 ( -2.433 -16.479 51.802) 54.414 7.114 ( -1.045 -2.060 11.356) 11.588 7.473 ( -9.651 -2.660 17.016) 19.743 7.829 ( 4.869 -2.785 11.319) 12.633 9.354 ( -1.735 -0.336 5.098) 5.396 9.425 ( 0.514 -5.337 10.598) 11.877 9.514 ( -1.465 2.401 5.555) 6.227 9.947 ( -0.594 0.401 -0.760) 1.045 10.045 ( -1.690 -1.180 -0.432) 2.106 10.206 ( 1.816 0.106 -8.613) 8.803 11.929 ( -4.044 -0.145 19.134) 19.557 12.314 ( -9.681 -14.966 2.895) 18.058 12.874 ( 0.881 -0.639 -11.773) 11.823 13.380 ( 15.279 -7.591 -0.622) 17.072 13.943 ( 16.092 -11.088 -7.931) 21.090 14.201 ( -8.729 13.101 -0.515) 15.751 14.637 ( -12.882 18.768 -12.099) 25.779 14.750 ( 9.952 4.726 -3.982) 11.715 15.020 ( -0.227 10.454 -15.360) 18.581 15.975 ( 2.297 1.742 -17.230) 17.469 17.258 ( -2.056 1.022 -4.824) 5.343 17.394 ( 5.114 4.328 -1.570) 6.881 18.242 ( -4.234 -8.101 13.337) 16.169 18.438 ( 0.145 1.752 -11.533) 11.667 ======================= Grid point 9 (7/112) ======================= q-point: ( 0.16 -0.01 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 6.490 10.707 8.585) 15.181 1.590 ( 0.288 9.151 8.312) 12.366 1.913 ( -3.103 -2.039 -4.967) 6.202 2.114 ( -20.071 5.262 9.249) 22.717 2.259 ( -0.124 1.713 1.114) 2.048 2.670 ( -0.324 0.994 -1.587) 1.900 2.700 ( 0.967 1.498 -3.392) 3.832 2.878 ( 4.006 4.531 -0.305) 6.055 3.320 ( -0.079 -4.807 -0.180) 4.811 3.565 ( 1.334 10.033 3.661) 10.763 3.740 ( 0.808 2.020 -0.518) 2.236 4.092 ( 6.576 7.382 -0.186) 9.887 5.759 ( 4.670 -9.672 55.845) 56.869 7.067 ( -0.182 -1.158 12.165) 12.221 7.297 ( -6.425 0.801 20.643) 21.634 7.759 ( 0.205 -6.360 4.594) 7.849 9.312 ( 0.952 -4.899 19.977) 20.590 9.314 ( 0.569 -2.221 9.242) 9.522 9.539 ( -2.489 3.065 1.009) 4.075 9.943 ( -0.713 0.501 -1.556) 1.783 9.996 ( -0.431 -0.948 -0.590) 1.197 10.235 ( 1.520 -0.630 -8.931) 9.081 11.675 ( -6.663 -5.151 19.352) 21.105 12.196 ( 1.098 0.138 6.971) 7.059 12.883 ( 0.111 0.177 -11.050) 11.052 13.531 ( 16.222 -10.148 0.832) 19.153 14.082 ( 16.355 -7.936 -7.994) 19.859 14.208 ( -3.313 0.706 -3.273) 4.710 14.710 ( -14.526 16.267 -11.378) 24.598 14.780 ( -5.315 -0.138 -20.738) 21.408 15.193 ( -2.183 9.496 -8.614) 13.005 16.054 ( 1.870 0.872 -15.590) 15.726 17.245 ( -1.679 1.279 -4.387) 4.868 17.575 ( 4.887 2.987 0.454) 5.746 18.052 ( -3.433 -3.742 14.403) 15.272 18.467 ( -0.254 1.211 -11.295) 11.363 ======================= Grid point 13 (8/112) ======================= q-point: ( 0.32 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -0.000 3.377 3.855) 5.125 1.563 ( -0.000 7.950 5.404) 9.613 1.974 ( 0.000 -0.053 -2.719) 2.719 2.020 ( -0.000 7.055 -0.539) 7.075 2.514 ( 0.000 0.578 -2.072) 2.152 2.597 ( -0.000 5.377 0.484) 5.399 2.665 ( 0.000 -3.246 0.672) 3.315 2.923 ( -0.000 5.696 4.804) 7.451 3.379 ( 0.000 -3.875 -0.913) 3.981 3.444 ( -0.000 3.016 7.063) 7.680 3.696 ( -0.000 8.426 5.834) 10.249 3.877 ( -0.000 7.884 4.441) 9.049 7.758 ( -0.000 -1.218 19.089) 19.128 7.990 ( -0.000 -10.170 25.519) 27.471 8.148 ( -0.000 -3.755 12.191) 12.756 8.795 ( -0.000 -5.518 49.244) 49.552 9.423 ( 0.000 0.628 -9.439) 9.460 9.427 ( 0.000 0.727 -8.729) 8.759 9.686 ( -0.000 3.103 11.199) 11.621 9.710 ( 0.000 0.014 -14.999) 14.999 10.453 ( -0.000 -0.317 19.861) 19.864 10.526 ( -0.000 1.910 18.922) 19.018 12.351 ( 0.000 -3.372 -13.222) 13.646 12.423 ( -0.000 6.340 1.103) 6.435 12.668 ( 0.000 -16.967 5.368) 17.796 13.276 ( -0.000 4.115 2.658) 4.899 13.445 ( 0.000 -11.075 -7.880) 13.592 14.131 ( 0.000 -17.363 -7.671) 18.982 14.271 ( -0.000 15.035 0.149) 15.035 14.769 ( -0.000 9.430 -1.472) 9.544 14.908 ( -0.000 3.692 7.048) 7.956 15.354 ( 0.000 6.640 -9.255) 11.390 16.974 ( 0.000 3.882 -11.393) 12.036 17.002 ( 0.000 4.826 -11.601) 12.565 17.846 ( 0.000 3.388 -13.687) 14.100 18.388 ( 0.000 -3.955 -5.874) 7.081 ======================= Grid point 14 (9/112) ======================= q-point: ( 0.32 -0.01 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 3.888 5.551 -0.439) 6.791 1.698 ( 1.465 4.214 0.560) 4.497 1.899 ( -5.313 -0.033 -0.959) 5.399 2.165 ( 3.455 1.696 -3.518) 5.215 2.547 ( 1.280 1.623 -2.042) 2.906 2.620 ( -1.330 1.398 1.630) 2.526 2.718 ( 0.562 2.802 1.048) 3.044 2.920 ( -9.995 7.663 4.104) 13.246 3.301 ( 0.045 -4.660 -0.928) 4.752 3.573 ( 1.361 7.314 2.013) 7.707 3.885 ( 1.462 5.361 4.241) 6.990 4.022 ( 3.204 6.457 1.659) 7.397 7.733 ( 0.054 -1.248 19.644) 19.684 7.858 ( 4.861 -7.012 30.229) 31.410 8.062 ( -0.154 -4.743 12.602) 13.465 8.600 ( -5.159 -9.148 46.353) 47.528 9.421 ( -0.949 0.658 -7.020) 7.114 9.457 ( 0.795 0.794 -8.898) 8.968 9.717 ( 0.699 0.096 -14.313) 14.331 9.755 ( 0.256 3.812 10.950) 11.598 10.353 ( -6.642 -0.231 18.906) 20.040 10.634 ( 6.028 -0.391 22.632) 23.424 12.278 ( -6.030 -7.057 3.072) 9.777 12.332 ( -0.908 -1.343 -11.870) 11.981 12.607 ( 3.391 3.481 6.159) 7.846 13.279 ( 4.753 -6.019 -8.047) 11.116 13.420 ( 7.760 -1.979 3.684) 8.815 13.810 ( 0.873 -17.905 -8.880) 20.005 14.507 ( -2.198 10.701 -2.995) 11.327 14.852 ( -7.446 10.450 -3.756) 13.370 14.962 ( -2.793 3.704 2.032) 5.064 15.490 ( 4.121 2.130 -8.739) 9.894 16.974 ( -4.449 4.088 -11.531) 13.018 17.193 ( 6.175 4.482 -12.208) 14.397 17.913 ( -0.276 3.582 -13.067) 13.552 18.296 ( -1.436 -3.850 -4.426) 6.039 ======================= Grid point 15 (10/112) ======================= q-point: ( 0.32 -0.01 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 274 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -0.909 0.909 -5.068) 5.228 1.708 ( 1.012 -1.012 -0.212) 1.446 1.842 ( -2.308 2.308 1.323) 3.522 2.207 ( 0.552 -0.552 -3.780) 3.860 2.583 ( 0.175 -0.175 -1.850) 1.867 2.669 ( -1.758 1.758 0.362) 2.512 2.672 ( -5.925 5.925 5.405) 9.972 2.929 ( -6.168 6.168 0.903) 8.770 3.244 ( 2.343 -2.343 0.123) 3.316 3.666 ( -3.179 3.179 -2.596) 5.192 3.924 ( -3.444 3.444 4.491) 6.625 4.146 ( 0.596 -0.596 -0.269) 0.885 7.722 ( 0.688 -0.688 19.853) 19.877 7.892 ( 6.444 -6.444 30.278) 31.620 7.986 ( 2.991 -2.991 11.545) 12.295 8.422 ( 0.863 -0.863 49.272) 49.287 9.417 ( -0.840 0.840 -6.091) 6.206 9.473 ( -0.040 0.040 -8.965) 8.965 9.727 ( 0.488 -0.488 -14.935) 14.951 9.806 ( -1.721 1.721 12.741) 12.972 10.272 ( -3.519 3.519 18.052) 18.726 10.688 ( 3.594 -3.594 24.941) 25.453 12.128 ( 0.516 -0.516 7.570) 7.605 12.336 ( -0.720 0.720 -15.593) 15.626 12.678 ( -1.058 1.058 7.108) 7.264 13.302 ( 7.281 -7.281 -11.103) 15.143 13.527 ( 14.163 -14.163 -11.041) 22.872 13.568 ( 0.975 -0.975 7.058) 7.191 14.575 ( -8.240 8.240 -5.084) 12.714 14.911 ( -6.847 6.847 5.794) 11.284 14.945 ( -4.775 4.775 -8.456) 10.821 15.549 ( 1.894 -1.894 -9.135) 9.520 16.971 ( -4.120 4.120 -11.610) 12.990 17.306 ( 1.251 -1.251 -12.925) 13.046 17.947 ( -2.080 2.080 -12.860) 13.192 18.237 ( 0.767 -0.767 -3.371) 3.541 ======================= Grid point 19 (11/112) ======================= q-point: ( 0.32 -0.01 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -2.151 2.151 5.495) 6.281 1.446 ( -4.290 4.290 10.350) 11.997 1.885 ( -1.414 1.414 -0.374) 2.034 2.020 ( -4.988 4.988 -1.520) 7.215 2.508 ( -0.148 0.148 -1.655) 1.668 2.553 ( -2.056 2.056 -1.160) 3.130 2.727 ( 1.305 -1.305 -1.427) 2.333 2.805 ( 2.108 -2.108 9.152) 9.625 3.422 ( 0.055 -0.055 7.729) 7.729 3.422 ( 1.519 -1.519 -2.075) 2.987 3.661 ( -7.882 7.882 6.431) 12.869 3.759 ( -4.062 4.062 6.361) 8.571 7.770 ( 0.600 -0.600 18.860) 18.879 8.127 ( 4.008 -4.008 18.551) 19.398 8.166 ( 2.297 -2.297 13.764) 14.143 8.832 ( 2.885 -2.885 54.286) 54.439 9.411 ( 0.091 -0.091 -9.260) 9.260 9.426 ( -0.731 0.731 -10.219) 10.271 9.653 ( -1.137 1.137 12.019) 12.126 9.712 ( -0.210 0.210 -15.243) 15.246 10.407 ( 2.692 -2.692 18.306) 18.697 10.552 ( -4.236 4.236 19.559) 20.456 12.343 ( -2.418 2.418 2.642) 4.321 12.405 ( 3.133 -3.133 -15.684) 16.298 12.844 ( 11.951 -11.951 6.320) 18.044 13.250 ( -3.238 3.238 -5.211) 6.937 13.601 ( 2.991 -2.991 -10.474) 11.296 14.079 ( -9.083 9.083 4.361) 13.565 14.439 ( 5.733 -5.733 -8.075) 11.443 14.510 ( 0.709 -0.709 5.001) 5.101 14.870 ( -1.399 1.399 11.619) 11.786 15.295 ( -6.980 6.980 -11.190) 14.921 16.894 ( 0.180 -0.180 -11.367) 11.369 16.997 ( -4.977 4.977 -11.507) 13.489 17.811 ( -1.574 1.574 -14.043) 14.218 18.426 ( 2.337 -2.337 -6.500) 7.292 ======================= Grid point 20 (12/112) ======================= q-point: ( 0.48 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -0.000 0.919 0.084) 0.923 1.663 ( 0.000 0.190 -0.363) 0.409 1.938 ( 0.000 0.163 -0.516) 0.541 1.971 ( 0.000 0.459 -1.647) 1.710 2.513 ( -0.000 0.622 0.581) 0.851 2.616 ( 0.000 -0.306 -0.760) 0.820 2.743 ( -0.000 1.438 0.500) 1.523 3.114 ( -0.000 1.516 0.725) 1.680 3.268 ( 0.000 -1.314 -0.331) 1.355 3.709 ( -0.000 1.849 1.458) 2.355 3.943 ( -0.000 1.693 0.824) 1.883 4.061 ( -0.000 1.009 0.530) 1.140 8.515 ( -0.000 -2.754 8.750) 9.173 8.525 ( -0.000 -2.342 8.511) 8.828 8.583 ( -0.000 -1.004 20.427) 20.452 8.997 ( 0.000 0.426 -19.242) 19.246 9.028 ( 0.000 1.695 -8.258) 8.430 9.041 ( 0.000 1.620 -7.650) 7.820 10.236 ( -0.000 -2.929 12.307) 12.650 10.382 ( -0.000 0.044 14.492) 14.492 11.022 ( -0.000 0.677 4.784) 4.832 11.125 ( -0.000 -0.279 5.223) 5.230 11.900 ( -0.000 1.108 4.070) 4.218 12.184 ( 0.000 2.284 -16.837) 16.992 12.595 ( 0.000 -3.865 1.324) 4.085 13.208 ( 0.000 -3.048 1.691) 3.485 13.495 ( 0.000 -3.754 2.425) 4.469 13.729 ( -0.000 0.502 -0.032) 0.503 14.477 ( -0.000 2.443 0.435) 2.481 14.815 ( -0.000 2.057 -1.105) 2.335 15.022 ( 0.000 -0.347 -0.254) 0.430 15.322 ( -0.000 0.485 0.168) 0.514 16.619 ( 0.000 1.594 -5.444) 5.673 16.649 ( 0.000 1.610 -5.511) 5.741 17.731 ( -0.000 4.139 5.786) 7.114 17.919 ( 0.000 -3.588 -11.459) 12.008 ======================= Grid point 21 (13/112) ======================= q-point: ( 0.48 -0.02 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 0.460 2.899 -1.576) 3.332 1.673 ( 1.321 -1.000 -0.114) 1.661 1.860 ( -3.793 0.087 -1.476) 4.070 2.035 ( 3.208 -0.843 -1.730) 3.741 2.565 ( 2.911 1.126 0.761) 3.213 2.625 ( 1.202 0.191 -1.491) 1.925 2.708 ( -1.076 -3.517 -1.691) 4.048 3.121 ( -3.808 3.574 -1.155) 5.348 3.258 ( 0.203 -0.177 1.673) 1.694 3.682 ( -7.095 4.793 -1.857) 8.762 4.007 ( 3.297 -0.538 -1.016) 3.492 4.077 ( 1.611 -0.921 -1.534) 2.408 8.464 ( 0.331 -1.927 10.834) 11.009 8.506 ( 2.414 -2.883 11.016) 11.640 8.569 ( 0.245 -0.700 21.217) 21.230 9.003 ( -0.024 0.238 -19.233) 19.235 9.058 ( -0.389 1.514 -9.008) 9.142 9.066 ( -0.447 1.257 -8.902) 9.002 10.144 ( 2.259 -6.026 18.496) 19.584 10.470 ( -1.028 6.447 13.234) 14.756 10.956 ( -5.534 1.078 4.785) 7.395 11.161 ( 4.040 -2.193 3.583) 5.828 11.901 ( -2.149 1.662 1.668) 3.188 12.162 ( -4.896 2.416 -16.312) 17.202 12.661 ( 8.163 -0.694 5.984) 10.145 13.108 ( 0.339 -8.363 0.380) 8.379 13.311 ( 6.085 -11.644 8.560) 15.680 13.898 ( -6.427 14.236 2.858) 15.879 14.489 ( 0.324 -0.792 -3.476) 3.580 14.785 ( -6.198 3.951 -3.993) 8.365 15.106 ( 6.197 -0.242 1.481) 6.376 15.285 ( -0.423 -3.154 -1.826) 3.669 16.581 ( -3.962 2.305 -7.511) 8.799 16.739 ( 3.701 -0.231 -8.067) 8.878 17.792 ( -1.369 3.326 5.283) 6.391 17.861 ( 0.397 -2.475 -11.608) 11.876 ======================= Grid point 24 (14/112) ======================= q-point: ( 0.48 -0.02 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 1.647 0.605 1.367) 2.224 1.674 ( -1.143 2.265 -0.009) 2.537 1.844 ( -0.640 -4.159 -0.028) 4.208 2.029 ( -1.440 3.762 -1.020) 4.156 2.545 ( 0.087 3.428 2.188) 4.068 2.632 ( 0.688 0.305 -1.532) 1.707 2.670 ( -5.233 0.043 1.775) 5.526 3.068 ( 1.212 -3.655 4.090) 5.617 3.296 ( 1.504 -0.322 -2.038) 2.553 3.632 ( 2.319 -5.912 3.075) 7.056 3.967 ( -2.739 5.337 2.957) 6.688 4.033 ( -2.913 0.907 2.761) 4.115 8.543 ( 1.932 -0.945 5.044) 5.484 8.574 ( 0.634 0.527 12.080) 12.108 8.605 ( 0.767 0.506 13.715) 13.746 8.990 ( -0.487 0.190 -19.961) 19.967 9.009 ( -0.756 0.504 -5.982) 6.050 9.016 ( -1.136 0.188 -5.968) 6.078 10.217 ( -3.529 1.820 7.964) 8.899 10.491 ( 8.813 -1.806 15.984) 18.342 10.931 ( -0.108 -5.747 6.646) 8.786 11.167 ( -2.056 4.131 4.119) 6.185 11.873 ( 0.052 -1.147 4.142) 4.299 12.106 ( -0.774 -2.942 -13.676) 14.010 12.791 ( 6.732 8.411 -4.689) 11.749 13.113 ( -7.643 -7.233 -0.933) 10.564 13.445 ( -7.140 8.046 -3.494) 11.311 13.933 ( 17.656 -7.020 -1.585) 19.066 14.417 ( -5.285 2.558 3.824) 7.007 14.711 ( 1.152 -6.919 3.360) 7.777 15.123 ( 0.652 7.402 -0.039) 7.431 15.260 ( -4.864 -1.118 0.784) 5.052 16.533 ( -0.058 -3.135 -3.088) 4.400 16.689 ( -2.673 4.447 -3.415) 6.212 17.666 ( -2.881 0.630 6.225) 6.888 17.971 ( 2.915 -1.301 -11.134) 11.582 ======================= Grid point 26 (15/112) ======================= q-point: (-0.36 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 0.000 0.621 -2.601) 2.674 1.635 ( 0.000 -3.092 -1.811) 3.583 1.934 ( 0.000 -1.473 1.313) 1.973 1.990 ( 0.000 -3.283 1.995) 3.841 2.492 ( 0.000 -0.288 -0.027) 0.289 2.623 ( 0.000 -6.386 -2.004) 6.693 2.658 ( -0.000 2.136 1.098) 2.402 3.023 ( 0.000 -2.399 -4.703) 5.280 3.344 ( -0.000 3.042 2.098) 3.696 3.590 ( 0.000 -1.054 -6.657) 6.740 3.809 ( 0.000 -5.798 -5.149) 7.754 3.961 ( 0.000 -5.342 -3.693) 6.495 8.165 ( 0.000 0.788 -20.687) 20.702 8.354 ( 0.000 5.115 -13.665) 14.591 8.389 ( 0.000 3.571 -11.280) 11.832 9.203 ( -0.000 -1.389 11.506) 11.590 9.213 ( -0.000 -1.699 11.346) 11.472 9.375 ( -0.000 -0.332 17.878) 17.881 9.827 ( 0.000 9.790 -45.184) 46.232 9.963 ( 0.000 -2.888 -15.932) 16.192 10.807 ( 0.000 -0.798 -14.011) 14.033 10.877 ( 0.000 -2.594 -14.997) 15.220 12.042 ( -0.000 1.523 15.056) 15.133 12.369 ( -0.000 -4.861 7.302) 8.772 12.746 ( -0.000 13.084 -1.430) 13.162 13.312 ( -0.000 5.942 5.034) 7.788 13.321 ( 0.000 -9.128 -1.484) 9.248 14.027 ( -0.000 20.404 2.769) 20.591 14.307 ( 0.000 -10.541 -3.305) 11.047 14.765 ( 0.000 -4.112 -1.156) 4.271 15.019 ( 0.000 0.015 -2.272) 2.272 15.250 ( 0.000 -7.111 0.688) 7.144 16.741 ( -0.000 -3.172 10.524) 10.992 16.766 ( -0.000 -3.978 10.685) 11.402 17.644 ( -0.000 -3.760 5.078) 6.318 18.214 ( -0.000 3.174 10.687) 11.148 ======================= Grid point 27 (16/112) ======================= q-point: (-0.36 -0.03 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -1.198 1.198 -3.537) 3.921 1.598 ( 2.657 -2.657 -4.640) 5.970 1.858 ( -0.930 0.930 1.366) 1.896 1.997 ( 5.109 -5.109 1.026) 7.298 2.499 ( 0.553 -0.553 -0.907) 1.198 2.550 ( 2.897 -2.897 -0.944) 4.204 2.689 ( -0.813 0.813 2.220) 2.500 2.975 ( -1.939 1.939 -7.462) 7.950 3.374 ( -1.219 1.219 2.621) 3.137 3.572 ( -2.244 2.244 -6.895) 7.590 3.791 ( 5.972 -5.972 -6.172) 10.461 3.881 ( 3.251 -3.251 -5.486) 7.158 8.173 ( -0.359 0.359 -20.528) 20.534 8.408 ( -2.361 2.361 -11.402) 11.881 8.427 ( -1.319 1.319 -11.680) 11.828 9.191 ( 0.701 -0.701 11.524) 11.566 9.194 ( 0.877 -0.877 11.879) 11.943 9.371 ( 0.188 -0.188 17.982) 17.984 9.931 ( 0.968 -0.968 -14.278) 14.343 9.934 ( -5.248 5.248 -48.949) 49.508 10.741 ( -2.632 2.632 -13.676) 14.173 10.901 ( 4.783 -4.783 -14.062) 15.604 12.062 ( -1.573 1.573 16.654) 16.802 12.305 ( 1.171 -1.171 6.447) 6.656 12.957 ( -6.228 6.228 -4.370) 9.832 13.121 ( -0.090 0.090 8.438) 8.439 13.432 ( 2.709 -2.709 6.093) 7.198 14.186 ( 7.154 -7.154 -6.140) 11.835 14.304 ( -11.868 11.868 5.055) 17.529 14.629 ( -2.603 2.603 -6.508) 7.477 15.081 ( 0.435 -0.435 -8.056) 8.079 15.135 ( 8.522 -8.522 4.726) 12.945 16.670 ( -0.442 0.442 9.729) 9.749 16.766 ( 4.342 -4.342 10.141) 11.855 17.605 ( 1.729 -1.729 5.082) 5.639 18.245 ( -1.775 1.775 10.813) 11.101 ======================= Grid point 29 (17/112) ======================= q-point: (-0.36 -0.03 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 2.878 2.499 0.635) 3.864 1.694 ( 0.576 1.862 0.604) 2.040 1.879 ( 1.036 -4.882 1.141) 5.120 2.092 ( 0.559 3.725 3.323) 5.023 2.529 ( 1.213 2.351 -0.297) 2.662 2.637 ( 0.288 0.289 0.041) 0.410 2.730 ( 2.543 0.614 -0.331) 2.637 3.009 ( 4.820 -7.531 -4.155) 9.860 3.282 ( -3.195 0.070 0.844) 3.305 3.606 ( 4.316 -3.756 -1.232) 5.853 3.960 ( 3.302 3.065 -3.010) 5.419 4.054 ( 3.859 2.167 -1.333) 4.622 8.149 ( -0.855 0.085 -21.048) 21.065 8.264 ( -4.371 0.848 -14.453) 15.123 8.324 ( -4.282 1.324 -13.002) 13.753 9.233 ( 1.482 0.014 10.576) 10.679 9.245 ( 1.532 0.029 10.984) 11.091 9.378 ( 0.076 -0.235 16.338) 16.340 9.624 ( -9.807 -0.683 -44.813) 45.878 10.043 ( 4.883 0.670 -15.967) 16.710 10.713 ( 0.870 -7.743 -15.289) 17.160 11.010 ( 0.586 6.400 -13.558) 15.004 12.025 ( 0.476 -0.782 13.664) 13.695 12.325 ( -1.214 -8.023 3.323) 8.768 12.676 ( -3.490 8.821 -1.285) 9.573 13.190 ( -3.866 1.829 0.783) 4.348 13.475 ( -5.283 4.068 -2.386) 7.081 13.709 ( -7.012 -1.902 2.063) 7.553 14.473 ( 6.255 -0.946 0.233) 6.330 14.769 ( 6.732 -6.212 3.409) 9.774 15.054 ( -0.203 1.385 -4.666) 4.872 15.357 ( 1.719 2.317 4.291) 5.171 16.730 ( 3.350 -4.286 11.623) 12.833 16.929 ( 3.564 5.364 12.689) 14.229 17.717 ( 3.940 -0.375 5.118) 6.470 18.142 ( -3.177 -0.836 10.168) 10.686 ======================= Grid point 30 (18/112) ======================= q-point: (-0.36 -0.03 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 0.690 -0.690 3.203) 3.348 1.700 ( -1.628 1.628 0.258) 2.317 1.842 ( 1.918 -1.918 1.158) 2.949 2.130 ( -1.162 1.162 3.518) 3.883 2.572 ( -0.812 0.812 -0.685) 1.337 2.678 ( 1.251 -1.251 -0.396) 1.813 2.720 ( -1.006 1.006 0.543) 1.523 2.983 ( 7.699 -7.699 -3.830) 11.542 3.249 ( -1.359 1.359 -0.395) 1.962 3.609 ( 4.837 -4.837 2.936) 7.444 4.003 ( 1.030 -1.030 -3.181) 3.499 4.136 ( -0.966 0.966 0.858) 1.613 8.142 ( -0.513 0.513 -21.211) 21.223 8.237 ( -2.171 2.171 -12.767) 13.131 8.293 ( -3.665 3.665 -15.005) 15.875 9.248 ( 0.787 -0.787 9.619) 9.683 9.261 ( 0.679 -0.679 11.218) 11.259 9.369 ( -0.070 0.070 8.493) 8.493 9.518 ( -4.127 4.127 -38.940) 39.375 10.114 ( 2.008 -2.008 -16.837) 17.075 10.630 ( 4.798 -4.798 -15.534) 16.951 11.079 ( -3.195 3.195 -12.732) 13.510 12.023 ( 1.273 -1.273 14.054) 14.169 12.217 ( 2.664 -2.664 -0.127) 3.770 12.753 ( -4.050 4.050 -0.949) 5.806 13.231 ( -5.443 5.443 -4.608) 8.971 13.326 ( -11.296 11.296 8.625) 18.154 13.696 ( 5.012 -5.012 -4.760) 8.538 14.505 ( 4.752 -4.752 1.709) 6.934 14.796 ( 4.269 -4.269 6.173) 8.635 15.056 ( 1.098 -1.098 -7.393) 7.554 15.393 ( -1.839 1.839 6.227) 6.748 16.721 ( 3.707 -3.707 12.197) 13.276 17.022 ( -1.145 1.145 13.943) 14.037 17.753 ( 2.296 -2.296 5.175) 6.109 18.099 ( -0.930 0.930 9.684) 9.773 ======================= Grid point 33 (19/112) ======================= q-point: (-0.20 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 0.000 -6.691 -11.882) 13.636 1.178 ( 0.000 -10.969 -13.703) 17.553 1.756 ( 0.000 -11.152 -8.020) 13.736 2.062 ( -0.000 0.617 4.699) 4.739 2.542 ( 0.000 0.384 -0.988) 1.059 2.570 ( -0.000 -0.601 2.215) 2.295 2.648 ( 0.000 -3.046 -5.816) 6.566 2.774 ( -0.000 1.471 0.170) 1.480 3.272 ( 0.000 3.080 -7.904) 8.483 3.413 ( 0.000 -7.215 -6.530) 9.731 3.472 ( -0.000 2.123 1.267) 2.472 3.594 ( 0.000 -10.334 -5.940) 11.920 7.426 ( 0.000 0.980 -15.445) 15.476 7.437 ( 0.000 14.863 -55.058) 57.029 7.938 ( 0.000 1.544 -13.340) 13.429 8.040 ( 0.000 -5.647 -19.979) 20.762 9.430 ( 0.000 -1.688 -7.412) 7.601 9.562 ( -0.000 0.626 2.741) 2.811 9.572 ( -0.000 -0.569 3.016) 3.070 9.985 ( -0.000 0.413 11.151) 11.159 10.088 ( 0.000 0.183 -14.158) 14.159 10.128 ( 0.000 -3.331 -13.847) 14.242 12.164 ( 0.000 -4.187 -11.409) 12.153 12.724 ( -0.000 6.885 11.701) 13.576 12.955 ( -0.000 22.048 -1.575) 22.104 13.256 ( -0.000 0.359 3.138) 3.158 13.838 ( -0.000 10.444 8.807) 13.662 13.929 ( 0.000 -19.747 -0.557) 19.755 14.440 ( -0.000 1.658 2.258) 2.801 14.580 ( 0.000 -12.215 -0.015) 12.215 14.617 ( 0.000 -7.808 -9.711) 12.460 15.559 ( -0.000 -1.470 19.421) 19.476 17.129 ( -0.000 -1.834 8.966) 9.152 17.138 ( -0.000 -2.776 8.836) 9.262 18.112 ( -0.000 -1.444 15.736) 15.802 18.530 ( -0.000 4.162 0.843) 4.246 ======================= Grid point 35 (20/112) ======================= q-point: (-0.20 -0.03 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 8.578 5.184 -7.964) 12.802 1.445 ( 12.562 2.523 -5.836) 14.079 1.938 ( 2.117 -2.803 0.983) 3.648 2.135 ( 5.158 6.095 0.409) 7.995 2.552 ( -1.809 -5.827 -6.077) 8.612 2.573 ( 1.529 0.515 3.036) 3.438 2.637 ( 2.759 -0.913 -0.404) 2.934 2.751 ( 2.863 -2.945 -1.201) 4.279 3.352 ( 7.568 5.859 -5.389) 10.984 3.407 ( -3.810 -0.995 1.127) 4.096 3.673 ( 6.345 8.153 -5.177) 11.555 3.800 ( 11.281 2.268 -3.679) 12.081 7.133 ( -13.847 -0.291 -56.808) 58.472 7.394 ( -1.534 -0.652 -16.027) 16.114 7.823 ( -1.608 -5.916 -16.621) 17.715 8.098 ( -3.818 -0.675 -17.043) 17.479 9.450 ( 0.679 -0.914 -4.813) 4.946 9.555 ( -0.558 0.823 -0.451) 1.092 9.593 ( 1.754 -0.161 1.087) 2.070 9.987 ( -0.411 0.959 9.841) 9.896 10.045 ( -0.582 -2.643 -9.597) 9.971 10.201 ( 0.081 1.916 -16.746) 16.855 12.285 ( 5.910 1.687 -12.389) 13.830 12.400 ( -16.819 -12.762 -7.651) 22.456 12.625 ( -1.978 0.004 12.618) 12.772 13.357 ( -2.283 10.547 1.665) 10.919 13.722 ( -10.236 10.108 12.387) 18.984 14.199 ( 6.074 -4.000 0.330) 7.281 14.422 ( 1.035 2.590 8.686) 9.123 14.689 ( 8.171 -9.340 2.204) 12.604 14.839 ( 11.226 0.993 2.769) 11.605 15.653 ( 3.842 4.257 13.927) 15.061 17.122 ( 1.990 -2.517 8.619) 9.197 17.300 ( 5.533 6.350 7.602) 11.346 18.155 ( 2.130 0.654 14.994) 15.158 18.403 ( -5.440 -3.251 -2.437) 6.790 ======================= Grid point 36 (21/112) ======================= q-point: (-0.20 -0.03 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 6.550 7.820 -3.626) 10.827 1.692 ( 8.279 1.699 -2.747) 8.887 1.832 ( -4.315 -4.703 2.524) 6.864 2.257 ( 0.936 0.987 1.030) 1.706 2.328 ( 4.785 -15.770 -11.137) 19.891 2.628 ( 0.956 0.834 3.036) 3.290 2.646 ( 1.371 -1.076 0.922) 1.972 2.866 ( 4.260 2.974 0.945) 5.281 3.312 ( -4.047 -0.289 0.608) 4.102 3.616 ( 7.980 4.150 -0.559) 9.012 3.767 ( 1.270 -3.325 -3.753) 5.173 4.097 ( 6.133 5.731 -0.573) 8.413 6.996 ( -7.649 6.365 -62.647) 63.433 7.362 ( -0.918 -0.010 -16.692) 16.717 7.725 ( 1.782 -4.091 -20.500) 20.980 7.901 ( -7.806 -3.843 -10.340) 13.514 9.442 ( 0.081 -0.281 -3.721) 3.732 9.562 ( -0.865 1.016 -4.654) 4.842 9.618 ( 1.712 -0.943 -0.435) 2.002 9.971 ( -0.784 -1.171 -4.264) 4.490 10.021 ( 0.418 0.235 9.350) 9.362 10.204 ( -1.856 1.251 -22.929) 23.038 12.004 ( -6.505 -5.125 -11.984) 14.567 12.397 ( 3.779 -0.187 -12.450) 13.012 12.629 ( 0.285 0.528 13.753) 13.766 13.538 ( -2.346 11.192 0.836) 11.466 13.776 ( -8.725 13.640 19.487) 25.336 14.071 ( -15.650 4.851 8.813) 18.604 14.504 ( 10.960 -8.282 7.339) 15.575 14.618 ( 12.195 -15.431 -2.213) 19.792 15.020 ( 6.632 -0.810 8.114) 10.511 15.773 ( 0.962 2.605 12.115) 12.429 17.116 ( 2.058 -2.161 8.295) 8.815 17.504 ( 2.991 4.819 7.348) 9.282 18.197 ( 1.555 -0.077 13.937) 14.024 18.255 ( -3.103 -2.741 -4.603) 6.191 ======================= Grid point 39 (22/112) ======================= q-point: (-0.04 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( 0.000 -0.000 -17.439) 17.439 0.341 ( 0.000 -0.000 -17.439) 17.439 0.806 ( 0.000 -0.000 -34.829) 34.829 2.177 ( 0.000 -0.000 -6.708) 6.708 2.239 ( -0.000 0.000 2.635) 2.635 2.623 ( -0.000 0.000 0.269) 0.269 2.623 ( -0.000 0.000 0.269) 0.269 2.836 ( -0.000 0.000 0.200) 0.200 3.142 ( 0.000 -0.000 -2.408) 2.408 3.142 ( 0.000 -0.000 -2.408) 2.408 3.225 ( 0.000 -0.000 -3.051) 3.051 3.538 ( -0.000 0.000 0.534) 0.534 5.675 ( 0.000 -0.000 -26.955) 26.955 7.001 ( 0.000 -0.000 -5.555) 5.555 7.442 ( 0.000 -0.000 -8.800) 8.800 7.442 ( 0.000 -0.000 -8.800) 8.800 9.255 ( 0.000 -0.000 -0.696) 0.696 9.315 ( 0.000 -0.000 -6.410) 6.410 9.315 ( 0.000 -0.000 -6.410) 6.410 9.975 ( -0.000 0.000 1.761) 1.761 9.975 ( -0.000 0.000 1.761) 1.761 10.325 ( -0.000 0.000 4.241) 4.241 11.607 ( 0.000 -0.000 -9.729) 9.729 13.154 ( -0.000 0.000 4.085) 4.085 13.427 ( 0.000 -0.000 -2.720) 2.720 13.431 ( -0.000 0.000 2.989) 2.989 13.431 ( -0.000 0.000 2.989) 2.989 14.190 ( 0.000 -0.000 -4.081) 4.081 14.350 ( 0.000 -0.000 -0.859) 0.859 14.350 ( 0.000 -0.000 -0.859) 0.859 14.354 ( -0.000 0.000 5.107) 5.107 16.353 ( -0.000 0.000 13.541) 13.541 17.349 ( -0.000 0.000 2.616) 2.616 17.349 ( -0.000 0.000 2.616) 2.616 18.505 ( 0.000 -0.000 -3.428) 3.428 18.590 ( -0.000 0.000 6.657) 6.657 ======================= Grid point 40 (23/112) ======================= q-point: (-0.04 -0.04 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 11.017 11.017 -11.771) 19.527 0.800 ( 8.388 8.388 -21.411) 24.478 1.400 ( 26.111 26.111 -8.966) 37.999 2.210 ( -1.489 -1.489 2.044) 2.934 2.271 ( 0.556 0.556 -4.923) 4.985 2.642 ( 0.938 0.938 0.410) 1.388 2.652 ( 1.289 1.289 1.134) 2.147 2.744 ( -2.355 -2.355 -0.245) 3.339 3.028 ( 2.333 2.333 -3.467) 4.786 3.373 ( 10.036 10.036 -1.816) 14.308 3.452 ( 6.537 6.537 -2.339) 9.536 3.511 ( -0.818 -0.818 0.440) 1.238 5.428 ( -10.928 -10.928 -27.845) 31.847 6.975 ( -1.386 -1.386 -5.582) 5.916 7.280 ( -7.630 -7.630 -10.167) 14.826 7.584 ( 5.193 5.193 -9.447) 11.966 9.273 ( -0.749 -0.749 -3.469) 3.627 9.368 ( 3.893 3.893 -1.804) 5.794 9.403 ( -4.915 -4.915 -1.568) 7.126 9.973 ( -0.073 -0.073 1.606) 1.609 10.120 ( -0.617 -0.617 4.897) 4.974 10.339 ( 1.232 1.232 5.303) 5.582 11.615 ( -0.689 -0.689 -11.251) 11.293 12.610 ( -20.452 -20.452 -1.237) 28.949 13.095 ( -0.224 -0.224 8.526) 8.532 13.526 ( 1.733 1.733 2.321) 3.376 13.877 ( 5.098 5.098 -2.038) 7.492 14.334 ( -0.854 -0.854 -0.703) 1.397 14.448 ( 7.340 7.340 11.959) 15.835 14.566 ( 16.639 16.639 0.330) 23.534 15.346 ( 17.400 17.400 41.083) 47.889 16.315 ( -0.305 -0.305 15.067) 15.073 17.334 ( -0.726 -0.726 2.447) 2.654 17.343 ( 0.543 0.543 -1.199) 1.424 17.998 ( -11.846 -11.846 -31.759) 35.906 18.604 ( 0.681 0.681 6.508) 6.578 ======================= Grid point 41 (24/112) ======================= q-point: (-0.04 -0.04 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 274 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 13.482 13.482 -7.419) 20.459 1.098 ( 7.459 7.459 -20.706) 23.238 2.011 ( 3.790 3.790 3.598) 6.456 2.041 ( -10.892 -10.892 -4.745) 16.117 2.177 ( 1.457 1.457 -2.404) 3.167 2.679 ( 0.998 0.998 0.919) 1.683 2.723 ( 2.126 2.126 2.121) 3.679 2.788 ( 4.883 4.883 -0.229) 6.909 3.316 ( 8.748 8.748 -2.752) 12.674 3.404 ( -2.857 -2.857 0.319) 4.053 3.670 ( 5.480 5.480 -0.570) 7.770 3.889 ( 14.199 14.199 0.092) 20.080 5.030 ( -8.712 -8.712 -30.743) 33.121 6.906 ( -2.172 -2.172 -6.110) 6.838 6.997 ( -6.409 -6.409 -12.704) 15.606 7.728 ( 1.878 1.878 -4.549) 5.267 9.068 ( -10.464 -10.464 -12.087) 19.107 9.234 ( -1.023 -1.023 -3.680) 3.955 9.509 ( 2.965 2.965 2.032) 4.660 9.972 ( 0.028 0.028 1.526) 1.527 10.057 ( -1.185 -1.185 2.228) 2.787 10.381 ( 0.850 0.850 5.145) 5.283 11.429 ( -8.812 -8.812 -14.813) 19.358 12.156 ( -3.944 -3.944 -1.578) 5.797 13.076 ( -0.762 -0.762 7.088) 7.170 13.653 ( 4.465 4.465 1.901) 6.594 14.011 ( 2.891 2.891 -3.401) 5.318 14.288 ( -1.505 -1.505 -0.071) 2.129 14.715 ( 6.313 6.313 10.675) 13.916 15.100 ( 10.754 10.754 3.510) 15.608 15.450 ( -5.075 -5.075 29.050) 29.923 16.373 ( 1.870 1.870 18.033) 18.225 17.306 ( -0.665 -0.665 2.034) 2.241 17.432 ( 3.881 3.881 -5.330) 7.650 17.752 ( -3.790 -3.790 -23.130) 23.743 18.631 ( 0.649 0.649 6.214) 6.282 ======================= Grid point 42 (25/112) ======================= q-point: (-0.04 -0.04 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 0.000 0.000 -20.333) 20.333 1.463 ( 0.000 0.000 -4.541) 4.541 1.664 ( -0.000 -0.000 -6.521) 6.521 2.002 ( 0.000 0.000 5.076) 5.076 2.218 ( 0.000 0.000 -2.556) 2.556 2.701 ( 0.000 0.000 1.198) 1.198 2.768 ( 0.000 0.000 2.138) 2.138 2.926 ( 0.000 0.000 0.172) 0.172 3.330 ( 0.000 0.000 0.234) 0.234 3.478 ( 0.000 0.000 -3.168) 3.168 3.800 ( 0.000 0.000 2.036) 2.036 4.188 ( 0.000 0.000 2.550) 2.550 4.880 ( 0.000 0.000 -33.466) 33.466 6.854 ( 0.000 0.000 -14.278) 14.278 6.875 ( 0.000 0.000 -6.456) 6.456 7.740 ( 0.000 0.000 0.981) 0.981 8.847 ( 0.000 0.000 -19.094) 19.094 9.213 ( 0.000 0.000 -3.491) 3.491 9.563 ( 0.000 0.000 3.865) 3.865 9.974 ( 0.000 0.000 1.601) 1.601 10.040 ( 0.000 0.000 2.326) 2.326 10.397 ( 0.000 0.000 5.029) 5.029 11.226 ( 0.000 0.000 -15.913) 15.913 12.117 ( 0.000 0.000 -2.597) 2.597 13.059 ( 0.000 0.000 6.222) 6.222 13.755 ( -0.000 -0.000 1.395) 1.395 14.076 ( -0.000 -0.000 -4.405) 4.405 14.249 ( 0.000 0.000 0.941) 0.941 14.852 ( 0.000 0.000 7.155) 7.155 15.302 ( 0.000 0.000 4.521) 4.521 15.306 ( 0.000 0.000 29.482) 29.482 16.405 ( 0.000 0.000 16.696) 16.696 17.293 ( 0.000 0.000 1.782) 1.782 17.544 ( 0.000 0.000 -6.464) 6.464 17.658 ( 0.000 0.000 -18.572) 18.572 18.644 ( -0.000 -0.000 6.070) 6.070 ======================= Grid point 46 (26/112) ======================= q-point: ( 0.12 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( -0.000 15.891 14.916) 21.794 0.658 ( -0.000 25.561 8.735) 27.013 1.073 ( -0.000 29.750 21.518) 36.716 2.219 ( 0.000 -1.346 -1.996) 2.407 2.271 ( -0.000 9.027 4.868) 10.256 2.630 ( -0.000 0.727 -0.502) 0.883 2.644 ( -0.000 2.115 -0.280) 2.134 2.769 ( 0.000 -5.387 0.295) 5.395 3.038 ( 0.000 -4.419 3.082) 5.387 3.234 ( -0.000 8.401 2.141) 8.669 3.398 ( -0.000 10.972 2.167) 11.184 3.527 ( 0.000 -0.204 -0.402) 0.451 5.531 ( -0.000 -14.351 27.564) 31.076 6.988 ( -0.000 -1.377 5.575) 5.742 7.432 ( -0.000 -1.124 8.814) 8.886 7.453 ( -0.000 -0.396 10.228) 10.235 9.286 ( -0.000 -3.245 6.581) 7.338 9.310 ( -0.000 5.766 -0.117) 5.767 9.452 ( -0.000 1.753 -1.216) 2.134 9.980 ( 0.000 0.495 -1.763) 1.831 10.115 ( 0.000 6.424 -8.193) 10.411 10.320 ( 0.000 -0.528 -4.173) 4.206 11.622 ( -0.000 1.623 10.213) 10.341 12.892 ( 0.000 -28.845 1.080) 28.866 13.094 ( 0.000 -1.619 -8.024) 8.186 13.365 ( 0.000 -9.932 -1.660) 10.070 13.937 ( -0.000 21.925 -1.040) 21.949 14.105 ( 0.000 -7.051 -2.923) 7.633 14.352 ( -0.000 13.697 2.026) 13.846 14.658 ( -0.000 17.372 -2.292) 17.522 15.048 ( -0.000 43.325 -43.049) 61.077 16.324 ( 0.000 -2.283 -14.002) 14.187 17.330 ( 0.000 -1.531 -0.753) 1.706 17.352 ( 0.000 0.395 -2.336) 2.370 18.150 ( -0.000 -23.222 28.982) 37.138 18.598 ( 0.000 0.849 -6.540) 6.594 ======================= Grid point 47 (27/112) ======================= q-point: ( 0.12 -0.04 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 1.940 16.758 12.330) 20.895 1.050 ( -2.762 21.537 14.133) 25.908 1.851 ( 12.289 20.808 2.373) 24.283 2.170 ( -1.137 -2.230 -1.204) 2.777 2.303 ( -14.621 3.167 3.960) 15.475 2.663 ( 0.850 1.538 -0.645) 1.872 2.689 ( 1.458 2.199 -1.721) 3.150 2.719 ( 1.860 0.903 0.590) 2.150 3.164 ( 8.448 12.240 3.047) 15.181 3.434 ( -0.392 -4.130 -0.248) 4.155 3.525 ( 10.161 7.416 1.830) 12.711 3.701 ( 4.139 15.149 1.081) 15.741 5.144 ( -3.766 -19.553 29.223) 35.362 6.940 ( -1.318 -2.426 5.677) 6.313 7.172 ( -12.175 -4.080 11.447) 17.202 7.627 ( 9.012 -0.414 7.966) 12.035 9.193 ( -1.130 -9.220 7.283) 11.803 9.290 ( -6.391 -5.820 3.581) 9.356 9.471 ( 1.225 6.841 -0.523) 6.969 9.982 ( -0.859 0.808 -1.653) 2.031 10.092 ( -2.755 -2.028 -2.603) 4.299 10.346 ( 2.811 -0.537 -4.917) 5.689 11.583 ( -6.884 -3.413 13.363) 15.415 12.269 ( -8.303 -15.876 1.554) 17.984 13.085 ( 0.112 -0.944 -8.184) 8.240 13.387 ( 17.210 -10.258 -0.267) 20.037 14.035 ( 9.407 -3.607 -2.003) 10.272 14.224 ( -7.344 10.569 -1.373) 12.943 14.790 ( -0.712 12.542 -2.966) 12.907 14.879 ( 4.183 20.137 -6.702) 21.631 15.518 ( -0.978 2.786 -32.239) 32.374 16.334 ( 2.014 2.169 -18.036) 18.278 17.319 ( -0.467 -0.189 -0.928) 1.056 17.375 ( 1.868 2.578 2.511) 4.055 17.823 ( -3.598 -6.731 27.581) 28.618 18.622 ( 0.296 1.244 -6.262) 6.391 ======================= Grid point 48 (28/112) ======================= q-point: ( 0.12 -0.04 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 3.002 8.525 16.514) 18.825 1.406 ( -0.310 18.808 6.733) 19.979 1.954 ( -22.274 3.909 4.812) 23.120 2.024 ( -2.809 -0.533 -4.363) 5.216 2.219 ( -0.316 2.381 2.624) 3.557 2.699 ( 0.188 1.089 -1.091) 1.553 2.759 ( 0.930 1.577 -2.152) 2.825 2.880 ( 4.766 4.788 0.052) 6.756 3.320 ( 0.242 -5.146 0.170) 5.155 3.501 ( -1.211 10.070 2.277) 10.395 3.762 ( 4.067 4.339 -1.269) 6.081 4.110 ( 7.681 8.255 -1.789) 11.417 4.832 ( 4.618 -12.271 33.336) 35.822 6.875 ( -0.847 -1.114 6.609) 6.756 6.937 ( -7.802 -0.075 13.381) 15.490 7.703 ( 4.283 -4.048 1.144) 6.003 8.885 ( -3.997 -8.741 16.662) 19.235 9.199 ( 1.462 -3.115 3.882) 5.187 9.577 ( -1.363 4.264 -3.461) 5.658 9.981 ( -0.802 0.815 -1.650) 2.008 10.041 ( -0.258 -0.708 -2.264) 2.386 10.377 ( 2.113 -1.175 -4.830) 5.401 11.298 ( -7.554 -4.722 15.560) 17.929 12.099 ( 2.158 -3.151 2.910) 4.801 13.066 ( -0.737 -0.011 -6.570) 6.612 13.514 ( 18.288 -13.632 0.705) 22.821 14.167 ( 6.225 0.370 -1.621) 6.443 14.237 ( -7.353 6.243 -0.917) 9.690 14.871 ( -4.219 4.855 -5.360) 8.373 15.263 ( 3.489 9.350 -13.262) 16.598 15.418 ( -9.345 2.808 -19.199) 21.537 16.395 ( 1.079 0.496 -17.119) 17.160 17.302 ( -1.022 0.346 -1.549) 1.887 17.499 ( 3.797 2.841 5.975) 7.628 17.694 ( -2.797 -2.207 19.300) 19.626 18.645 ( -0.112 0.851 -6.020) 6.081 ======================= Grid point 52 (29/112) ======================= q-point: ( 0.28 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -0.000 9.004 5.395) 10.496 1.422 ( -0.000 14.142 8.071) 16.283 1.994 ( -0.000 12.762 3.503) 13.234 2.042 ( 0.000 -1.653 -3.746) 4.095 2.558 ( -0.000 1.937 -1.359) 2.366 2.603 ( -0.000 3.369 -1.007) 3.516 2.633 ( 0.000 -2.909 1.673) 3.356 2.838 ( -0.000 7.331 3.486) 8.118 3.276 ( -0.000 3.854 7.473) 8.409 3.416 ( 0.000 -3.734 -0.970) 3.858 3.579 ( -0.000 10.308 5.464) 11.667 3.788 ( -0.000 10.366 4.131) 11.158 7.132 ( -0.000 -17.360 55.359) 58.017 7.400 ( -0.000 -1.756 15.839) 15.936 7.894 ( -0.000 -3.332 12.878) 13.302 8.090 ( -0.000 -0.627 21.927) 21.936 9.463 ( -0.000 1.213 4.951) 5.097 9.545 ( 0.000 -1.162 -0.553) 1.287 9.595 ( -0.000 2.210 -0.887) 2.382 9.977 ( 0.000 -0.345 -10.281) 10.286 10.078 ( -0.000 -1.024 13.031) 13.072 10.173 ( -0.000 0.945 13.207) 13.241 12.269 ( -0.000 6.959 11.986) 13.860 12.553 ( 0.000 -21.038 5.606) 21.772 12.621 ( 0.000 -3.369 -11.779) 12.251 13.225 ( 0.000 -2.556 2.046) 3.274 13.617 ( 0.000 -11.972 -8.613) 14.748 14.298 ( -0.000 18.938 -2.630) 19.120 14.332 ( 0.000 -10.333 -11.403) 15.388 14.805 ( -0.000 11.656 1.548) 11.759 14.821 ( -0.000 13.360 -3.515) 13.815 15.607 ( 0.000 3.479 -15.240) 15.632 17.178 ( 0.000 3.483 -8.321) 9.021 17.207 ( 0.000 4.520 -8.049) 9.231 18.149 ( 0.000 2.476 -14.984) 15.187 18.435 ( 0.000 -5.795 1.681) 6.034 ======================= Grid point 53 (30/112) ======================= q-point: ( 0.28 -0.05 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 3.648 9.283 2.313) 10.239 1.663 ( 1.320 9.655 2.810) 10.142 1.931 ( -5.763 -1.816 -2.397) 6.500 2.222 ( 2.818 3.827 -1.794) 5.080 2.564 ( -6.352 3.577 3.422) 8.054 2.609 ( 0.936 2.082 -3.245) 3.967 2.693 ( -1.934 2.908 0.956) 3.621 2.856 ( -6.370 8.377 2.197) 10.751 3.318 ( -0.048 -5.632 -0.708) 5.676 3.527 ( 5.818 10.562 2.360) 12.287 3.796 ( 0.657 6.980 4.310) 8.230 3.991 ( 4.141 8.903 1.384) 9.916 6.882 ( 5.063 -12.607 59.971) 61.491 7.363 ( -0.062 -1.777 16.528) 16.623 7.791 ( -2.623 -2.363 15.207) 15.611 7.981 ( -3.897 -8.152 17.571) 19.758 9.453 ( -0.972 -0.211 4.629) 4.734 9.538 ( 1.438 -1.320 3.493) 4.001 9.637 ( -0.992 2.669 0.763) 2.948 9.979 ( 0.391 -0.300 -7.775) 7.791 10.033 ( -1.512 -0.789 6.972) 7.178 10.176 ( 1.521 -2.489 18.213) 18.445 12.122 ( -6.744 -13.298 10.194) 18.062 12.401 ( -0.237 6.444 12.706) 14.248 12.617 ( 0.705 1.016 -13.235) 13.292 13.304 ( 11.868 -3.674 4.180) 13.109 13.529 ( 11.299 -9.242 -12.790) 19.408 14.057 ( -1.472 -15.799 -14.150) 21.261 14.595 ( -2.077 12.966 -6.107) 14.482 14.887 ( -12.311 11.694 -2.169) 17.118 15.045 ( -1.482 10.845 -8.046) 13.585 15.710 ( 3.746 2.030 -12.858) 13.546 17.175 ( -4.224 3.719 -7.898) 9.698 17.395 ( 6.542 4.493 -7.152) 10.683 18.198 ( -0.012 2.374 -13.174) 13.386 18.308 ( -2.488 -4.562 2.909) 5.955 ======================= Grid point 54 (31/112) ======================= q-point: ( 0.28 -0.05 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -0.703 0.703 2.031) 2.261 1.771 ( -0.679 0.679 -4.304) 4.409 1.792 ( -3.448 3.448 1.853) 5.217 2.271 ( -0.799 0.799 -2.232) 2.502 2.529 ( -13.997 13.997 7.794) 21.273 2.641 ( -0.428 0.428 -3.514) 3.566 2.670 ( -1.424 1.424 -0.589) 2.098 2.931 ( -3.215 3.215 -0.579) 4.584 3.242 ( 3.083 -3.083 0.157) 4.363 3.714 ( -1.691 1.691 -2.196) 3.247 3.828 ( -5.731 5.731 4.779) 9.408 4.150 ( 0.196 -0.196 -0.220) 0.354 6.840 ( 8.832 -8.832 63.693) 64.906 7.346 ( 0.894 -0.894 16.894) 16.941 7.777 ( -2.317 2.317 22.065) 22.307 7.779 ( 3.966 -3.966 8.537) 10.215 9.443 ( -0.172 0.172 4.875) 4.881 9.539 ( 1.517 -1.517 6.340) 6.693 9.651 ( -1.865 1.865 1.525) 3.047 9.969 ( -0.459 0.459 0.345) 0.736 10.022 ( 0.289 -0.289 -5.014) 5.030 10.161 ( 2.576 -2.576 22.287) 22.583 11.928 ( 2.046 -2.046 12.074) 12.416 12.464 ( -3.374 3.374 13.577) 14.391 12.637 ( -0.697 0.697 -13.892) 13.927 13.392 ( 11.585 -11.585 5.299) 17.219 13.683 ( 5.525 -5.525 -20.617) 22.048 13.761 ( 12.749 -12.749 -11.461) 21.364 14.701 ( -8.555 8.555 -6.885) 13.921 14.862 ( -13.720 13.720 -1.925) 19.499 15.137 ( -5.830 5.830 -10.238) 13.146 15.767 ( 1.503 -1.503 -12.374) 12.555 17.171 ( -3.821 3.821 -7.728) 9.430 17.516 ( 1.632 -1.632 -7.238) 7.597 18.219 ( 0.458 -0.458 5.334) 5.374 18.231 ( -1.649 1.649 -14.055) 14.247 ======================= Grid point 58 (32/112) ======================= q-point: ( 0.28 -0.05 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -6.061 6.061 14.725) 17.038 1.257 ( -7.411 7.411 7.225) 12.730 1.836 ( -7.309 7.309 5.632) 11.772 2.074 ( -1.487 1.487 -3.616) 4.183 2.545 ( -0.717 0.717 -0.070) 1.017 2.589 ( -1.224 1.224 -2.040) 2.676 2.621 ( 2.487 -2.487 7.141) 7.960 2.746 ( 1.812 -1.812 -0.478) 2.607 3.265 ( -1.646 1.646 7.479) 7.833 3.455 ( 1.142 -1.142 -0.927) 1.863 3.541 ( -8.907 8.907 4.925) 13.525 3.631 ( -5.036 5.036 6.028) 9.331 7.352 ( 9.019 -9.019 55.630) 57.073 7.417 ( 0.921 -0.921 15.603) 15.657 7.869 ( 3.847 -3.847 15.438) 16.368 8.105 ( -2.938 2.938 17.723) 18.204 9.435 ( -0.636 0.636 6.791) 6.850 9.560 ( 0.135 -0.135 -1.577) 1.589 9.575 ( -0.407 0.407 -3.010) 3.064 9.989 ( -0.237 0.237 -11.992) 11.996 10.061 ( 1.399 -1.399 13.240) 13.387 10.172 ( -2.778 2.778 15.087) 15.590 12.196 ( -3.466 3.466 11.635) 12.625 12.682 ( 3.707 -3.707 -11.809) 12.921 12.725 ( 17.693 -17.693 4.926) 25.503 13.357 ( -3.762 3.762 -5.338) 7.537 13.845 ( 1.924 -1.924 -13.362) 13.636 14.003 ( -9.084 9.084 3.421) 13.294 14.423 ( 0.248 -0.248 3.678) 3.695 14.622 ( -2.638 2.638 -9.729) 10.420 14.663 ( -5.845 5.845 7.555) 11.199 15.586 ( -2.929 2.929 -17.082) 17.577 17.106 ( 0.268 -0.268 -9.028) 9.036 17.203 ( -4.724 4.724 -8.296) 10.651 18.124 ( -1.225 1.225 -15.584) 15.680 18.492 ( 3.868 -3.868 0.337) 5.480 ======================= Grid point 59 (33/112) ======================= q-point: ( 0.44 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -0.000 3.142 -0.013) 3.142 1.676 ( -0.000 1.338 -0.801) 1.559 1.952 ( 0.000 0.222 -0.733) 0.766 2.031 ( 0.000 1.659 -3.887) 4.226 2.506 ( -0.000 1.263 -0.289) 1.296 2.634 ( 0.000 -0.321 -0.666) 0.740 2.725 ( -0.000 3.784 1.178) 3.963 3.087 ( -0.000 4.526 1.870) 4.897 3.280 ( 0.000 -3.582 -0.774) 3.664 3.652 ( -0.000 5.442 3.966) 6.734 3.911 ( -0.000 5.029 2.339) 5.546 4.040 ( -0.000 3.191 1.500) 3.526 8.148 ( -0.000 -0.995 21.037) 21.061 8.255 ( -0.000 -5.318 15.957) 16.820 8.312 ( -0.000 -4.720 12.053) 12.944 9.233 ( 0.000 1.743 -10.990) 11.127 9.245 ( 0.000 1.750 -10.636) 10.779 9.381 ( 0.000 0.320 -17.616) 17.619 9.631 ( -0.000 -11.148 44.791) 46.157 10.037 ( -0.000 5.056 15.960) 16.742 10.825 ( -0.000 1.134 14.611) 14.655 10.910 ( -0.000 0.842 14.845) 14.869 12.033 ( 0.000 0.622 -13.215) 13.229 12.461 ( 0.000 4.888 -9.066) 10.300 12.532 ( 0.000 -9.773 5.232) 11.086 13.174 ( 0.000 -8.854 0.297) 8.859 13.433 ( 0.000 -3.361 3.020) 4.519 13.728 ( 0.000 -5.881 -0.317) 5.890 14.476 ( -0.000 7.577 -0.858) 7.626 14.858 ( -0.000 5.761 -3.147) 6.564 15.018 ( -0.000 0.050 1.107) 1.108 15.335 ( 0.000 2.101 -2.317) 3.128 16.808 ( 0.000 3.959 -11.903) 12.544 16.841 ( 0.000 3.982 -12.114) 12.752 17.721 ( 0.000 4.513 -5.075) 6.792 18.151 ( 0.000 -3.582 -10.374) 10.975 ======================= Grid point 60 (34/112) ======================= q-point: ( 0.44 -0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 1.270 4.232 -2.428) 5.042 1.687 ( 0.069 -0.958 -1.418) 1.713 1.891 ( -3.427 0.305 -1.177) 3.636 2.096 ( 2.438 0.020 -4.092) 4.764 2.551 ( 1.393 0.999 0.030) 1.715 2.659 ( 1.569 1.847 -1.285) 2.743 2.735 ( -1.281 -1.669 -1.015) 2.336 3.120 ( -6.299 6.655 1.157) 9.236 3.230 ( 0.725 -2.300 1.040) 2.627 3.708 ( -5.470 6.430 -0.702) 8.471 4.009 ( 0.826 1.944 0.819) 2.265 4.098 ( 2.325 0.850 -0.651) 2.560 8.134 ( 0.338 -0.829 21.330) 21.349 8.196 ( 2.190 -2.914 15.033) 15.469 8.239 ( 1.867 -4.698 14.290) 15.158 9.260 ( -0.493 1.374 -9.838) 9.946 9.271 ( -0.341 1.196 -10.423) 10.497 9.375 ( -0.662 -0.786 -7.822) 7.889 9.459 ( 2.405 -7.418 37.011) 37.824 10.136 ( -0.529 4.895 17.165) 17.857 10.742 ( -6.933 2.396 15.451) 17.104 10.998 ( 5.397 -1.754 13.457) 14.605 12.049 ( -1.328 2.065 -13.295) 13.520 12.302 ( -6.240 -0.528 3.426) 7.138 12.649 ( 7.232 -0.371 -4.074) 8.309 13.073 ( 7.786 -7.757 2.345) 11.238 13.210 ( 3.604 -17.050 -1.538) 17.495 13.790 ( -4.281 8.817 8.261) 12.818 14.569 ( -2.052 4.258 -4.659) 6.637 14.883 ( -5.388 5.416 -5.839) 9.615 15.062 ( 1.112 0.966 2.502) 2.904 15.353 ( 1.992 -1.796 -5.187) 5.840 16.800 ( -4.776 4.116 -12.841) 14.306 16.976 ( 3.719 1.373 -13.846) 14.403 17.788 ( -1.397 3.576 -5.104) 6.387 18.090 ( 0.150 -2.434 -9.928) 10.223 ======================= Grid point 63 (35/112) ======================= q-point: ( 0.44 -0.06 -0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -0.231 2.010 1.518) 2.530 1.659 ( -3.155 2.597 2.024) 4.560 1.860 ( -0.829 -4.284 -1.397) 4.581 2.068 ( -2.395 4.543 -2.477) 5.701 2.510 ( -0.782 1.946 0.775) 2.236 2.625 ( -3.531 0.192 1.559) 3.865 2.674 ( -0.485 1.815 -1.342) 2.308 2.958 ( -0.671 -6.131 6.608) 9.039 3.338 ( 2.665 -0.671 -2.028) 3.416 3.558 ( -0.889 -2.269 4.221) 4.874 3.889 ( -4.495 6.692 4.615) 9.289 3.965 ( -5.371 0.666 3.853) 6.643 8.164 ( 0.669 -0.173 20.755) 20.766 8.346 ( 4.217 -0.947 12.756) 13.468 8.389 ( 2.801 0.025 12.261) 12.577 9.208 ( -1.189 0.462 -11.110) 11.183 9.217 ( -1.487 0.471 -11.534) 11.639 9.375 ( -0.229 0.065 -17.586) 17.587 9.800 ( 8.896 -2.998 46.623) 47.559 9.968 ( -3.089 0.792 15.170) 15.501 10.711 ( 0.710 -6.097 14.453) 15.703 10.975 ( -3.109 6.229 13.889) 15.536 12.033 ( 1.241 -0.896 -14.930) 15.008 12.327 ( -0.916 -3.843 -6.729) 7.803 12.793 ( 8.968 3.999 4.453) 10.782 13.184 ( -4.021 -5.218 -5.853) 8.812 13.461 ( -1.273 6.867 0.371) 6.994 14.004 ( 18.756 -3.025 -5.712) 19.838 14.338 ( -8.372 2.604 3.441) 9.419 14.658 ( -4.668 -7.381 1.587) 8.877 15.067 ( 1.020 2.001 6.307) 6.695 15.283 ( -6.309 3.706 -3.908) 8.295 16.683 ( -1.734 -2.720 -10.488) 10.973 16.852 ( -4.693 5.547 -11.300) 13.434 17.651 ( -3.187 0.782 -5.109) 6.072 18.200 ( 2.956 -1.466 -10.517) 11.022 ======================= Grid point 65 (36/112) ======================= q-point: (-0.40 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -0.000 2.770 -1.719) 3.260 1.652 ( 0.000 -0.961 -0.315) 1.012 1.917 ( 0.000 -1.802 0.303) 1.827 1.959 ( 0.000 -1.090 0.536) 1.215 2.511 ( 0.000 0.359 -1.559) 1.600 2.629 ( -0.000 1.002 1.468) 1.778 2.671 ( 0.000 -5.653 -2.493) 6.178 3.106 ( 0.000 0.582 -3.411) 3.460 3.299 ( -0.000 1.727 2.230) 2.820 3.704 ( 0.000 1.399 -4.419) 4.636 3.900 ( 0.000 -2.855 -3.757) 4.719 4.024 ( 0.000 -3.071 -2.425) 3.913 8.559 ( 0.000 1.440 -7.780) 7.912 8.560 ( 0.000 2.018 -4.624) 5.045 8.600 ( 0.000 0.707 -17.248) 17.263 8.988 ( -0.000 -0.551 20.008) 20.016 9.004 ( -0.000 -0.838 5.633) 5.695 9.015 ( -0.000 -1.195 5.576) 5.703 10.201 ( 0.000 -3.285 -7.656) 8.331 10.506 ( 0.000 9.994 -15.265) 18.246 11.006 ( 0.000 -1.011 -5.517) 5.609 11.109 ( 0.000 -2.079 -5.663) 6.032 11.885 ( 0.000 -0.603 -4.961) 4.997 12.138 ( -0.000 -2.597 13.938) 14.178 12.708 ( -0.000 8.135 4.901) 9.497 13.230 ( -0.000 -0.741 3.909) 3.979 13.318 ( 0.000 -12.828 2.201) 13.016 13.998 ( -0.000 19.604 0.880) 19.624 14.392 ( 0.000 -6.177 -4.583) 7.691 14.811 ( 0.000 1.215 -3.004) 3.240 15.020 ( 0.000 -0.854 0.795) 1.167 15.272 ( 0.000 -4.666 -1.312) 4.847 16.594 ( -0.000 -1.145 2.841) 3.063 16.616 ( -0.000 -1.875 2.871) 3.429 17.660 ( 0.000 -3.422 -6.328) 7.194 17.983 ( -0.000 3.214 11.136) 11.591 ======================= Grid point 66 (37/112) ======================= q-point: (-0.40 -0.06 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -2.437 2.437 -2.243) 4.112 1.648 ( 1.433 -1.433 -0.837) 2.193 1.847 ( -1.282 1.282 -0.357) 1.848 1.983 ( 3.570 -3.570 0.013) 5.049 2.543 ( 0.979 -0.979 -3.174) 3.463 2.584 ( 2.676 -2.676 -1.865) 4.218 2.643 ( -0.285 0.285 1.982) 2.023 3.104 ( -2.180 2.180 -5.214) 6.057 3.317 ( -0.725 0.725 2.930) 3.104 3.697 ( -4.272 4.272 -5.257) 8.009 3.905 ( 3.929 -3.929 -4.842) 7.370 3.978 ( 2.658 -2.658 -4.005) 5.493 8.572 ( -1.168 1.168 -2.013) 2.604 8.581 ( -0.262 0.262 -11.264) 11.270 8.610 ( 0.185 -0.185 -11.606) 11.609 8.982 ( 0.304 -0.304 19.969) 19.974 9.000 ( 0.371 -0.371 4.414) 4.445 9.001 ( 0.418 -0.418 4.096) 4.138 10.170 ( 1.488 -1.488 -6.743) 7.064 10.634 ( -5.959 5.959 -15.011) 17.215 10.946 ( -1.993 1.993 -6.364) 6.960 11.110 ( 4.013 -4.013 -5.072) 7.611 11.876 ( -0.161 0.161 -4.540) 4.546 12.098 ( 0.179 -0.179 12.350) 12.352 12.904 ( -1.506 1.506 12.252) 12.435 13.007 ( -1.351 1.351 -0.252) 1.927 13.314 ( 7.729 -7.729 6.896) 12.924 14.224 ( -12.738 12.738 3.459) 18.344 14.323 ( 4.174 -4.174 -7.166) 9.284 14.759 ( -4.127 4.127 -5.827) 8.248 15.085 ( 6.806 -6.806 0.880) 9.666 15.184 ( 1.197 -1.197 -2.625) 3.124 16.545 ( -1.346 1.346 1.489) 2.417 16.635 ( 3.080 -3.080 1.618) 4.647 17.625 ( 1.533 -1.533 -6.583) 6.931 18.015 ( -1.751 1.751 10.939) 11.216 ======================= Grid point 68 (38/112) ======================= q-point: (-0.40 -0.06 0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 0.871 1.548 0.171) 1.785 1.684 ( -0.112 2.162 0.253) 2.179 1.857 ( 0.467 -4.709 0.790) 4.797 2.042 ( 0.120 3.649 1.379) 3.903 2.549 ( 0.578 3.652 -1.141) 3.870 2.623 ( -0.170 0.773 0.951) 1.238 2.736 ( 1.115 -0.712 -0.200) 1.338 3.071 ( 1.594 -4.256 -1.680) 4.845 3.269 ( -1.165 0.069 0.358) 1.221 3.623 ( 1.431 -7.346 -0.389) 7.494 4.003 ( 1.108 4.440 -1.078) 4.701 4.073 ( 1.274 1.267 -0.508) 1.867 8.503 ( -2.281 -0.401 -8.234) 8.553 8.552 ( -1.882 1.877 -10.016) 10.363 8.585 ( -1.140 0.271 -19.409) 19.444 8.998 ( 0.376 0.082 19.387) 19.391 9.029 ( 1.443 0.153 8.042) 8.172 9.041 ( 1.445 -0.060 7.765) 7.899 10.255 ( -3.204 2.159 -13.084) 13.642 10.377 ( 0.605 -0.419 -14.266) 14.284 10.940 ( 0.706 -6.786 -6.141) 9.180 11.184 ( -0.227 4.321 -3.765) 5.736 11.878 ( 0.751 -2.087 -2.922) 3.668 12.127 ( 1.472 -5.146 14.667) 15.613 12.696 ( -3.437 9.822 -0.805) 10.437 13.194 ( -0.072 -1.043 -0.242) 1.073 13.547 ( -7.251 4.408 -3.726) 9.268 13.677 ( 2.405 -5.291 1.440) 5.987 14.486 ( 1.733 0.861 -0.843) 2.111 14.722 ( 2.424 -6.763 1.193) 7.282 15.109 ( -0.486 6.337 -0.919) 6.421 15.312 ( 0.575 -0.875 0.583) 1.199 16.547 ( 1.354 -4.076 5.284) 6.810 16.728 ( 1.434 4.685 5.807) 7.597 17.727 ( 3.613 -0.446 -5.753) 6.808 17.914 ( -3.147 -0.555 11.379) 11.819 ======================= Grid point 69 (39/112) ======================= q-point: (-0.40 -0.06 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 274 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 0.272 -0.272 1.562) 1.609 1.704 ( -1.837 1.837 -0.651) 2.678 1.810 ( 1.685 -1.685 1.607) 2.874 2.076 ( -1.316 1.316 1.466) 2.369 2.603 ( -0.993 0.993 -2.023) 2.462 2.678 ( -2.250 2.250 3.067) 4.419 2.682 ( -0.066 0.066 -0.019) 0.095 3.041 ( 4.348 -4.348 -0.943) 6.220 3.262 ( -0.231 0.231 -0.909) 0.966 3.554 ( 5.982 -5.982 2.140) 8.726 4.050 ( -1.333 1.333 -1.345) 2.316 4.107 ( -1.218 1.218 2.041) 2.671 8.478 ( -1.122 1.122 -9.639) 9.769 8.555 ( -2.608 2.608 -10.048) 10.704 8.575 ( -0.393 0.393 -21.167) 21.174 9.002 ( 0.094 -0.094 19.343) 19.344 9.047 ( 0.769 -0.769 8.501) 8.571 9.055 ( 0.731 -0.731 8.635) 8.697 10.210 ( -4.912 4.912 -18.448) 19.713 10.435 ( 2.905 -2.905 -12.303) 12.971 10.858 ( 4.509 -4.509 -5.700) 8.552 11.226 ( -2.813 2.813 -3.011) 4.989 11.860 ( 2.003 -2.003 -1.071) 3.028 12.076 ( 3.827 -3.827 13.474) 14.520 12.811 ( -6.977 6.977 -6.146) 11.624 13.165 ( -5.608 5.608 7.591) 10.979 13.404 ( -3.338 3.338 -9.812) 10.888 13.755 ( 7.785 -7.785 -1.036) 11.059 14.494 ( -0.229 0.229 -0.021) 0.325 14.691 ( 4.117 -4.117 4.385) 7.289 15.181 ( -1.667 1.667 -4.747) 5.300 15.291 ( -1.250 1.250 4.044) 4.413 16.519 ( 2.649 -2.649 6.495) 7.498 16.791 ( -1.767 1.767 7.406) 7.817 17.758 ( 2.179 -2.179 -5.445) 6.256 17.874 ( -1.125 1.125 11.390) 11.500 ======================= Grid point 72 (40/112) ======================= q-point: (-0.24 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 0.000 0.250 -8.778) 8.781 1.425 ( 0.000 -6.199 -10.065) 11.821 1.862 ( 0.000 -8.958 -3.075) 9.471 1.972 ( -0.000 -0.161 3.935) 3.938 2.512 ( -0.000 0.273 1.905) 1.925 2.530 ( 0.000 -1.823 1.346) 2.266 2.733 ( -0.000 3.450 0.731) 3.526 2.839 ( 0.000 -3.275 -7.904) 8.556 3.435 ( -0.000 1.631 1.852) 2.467 3.443 ( 0.000 3.083 -8.293) 8.847 3.559 ( 0.000 -5.919 -7.591) 9.626 3.725 ( 0.000 -8.298 -6.595) 10.599 7.776 ( 0.000 0.673 -18.723) 18.735 8.152 ( 0.000 6.745 -17.047) 18.334 8.200 ( 0.000 1.851 -12.389) 12.526 8.858 ( 0.000 1.691 -57.077) 57.102 9.415 ( -0.000 -0.316 10.163) 10.168 9.416 ( -0.000 -0.444 9.951) 9.961 9.644 ( 0.000 -1.409 -12.304) 12.385 9.709 ( -0.000 -0.026 15.279) 15.279 10.458 ( 0.000 0.204 -19.052) 19.053 10.484 ( 0.000 -2.268 -18.642) 18.780 12.319 ( 0.000 -3.956 -3.381) 5.204 12.438 ( -0.000 4.476 16.410) 17.010 12.983 ( -0.000 16.234 -1.136) 16.273 13.204 ( 0.000 -3.336 1.781) 3.782 13.623 ( -0.000 7.694 11.655) 13.965 13.986 ( 0.000 -15.002 -4.741) 15.734 14.413 ( -0.000 12.542 0.518) 12.553 14.613 ( 0.000 -6.921 -3.303) 7.669 14.854 ( 0.000 -2.198 -12.130) 12.327 15.215 ( -0.000 -7.568 13.530) 15.503 16.918 ( -0.000 -2.099 11.339) 11.531 16.928 ( -0.000 -3.037 11.407) 11.804 17.797 ( -0.000 -1.894 14.178) 14.303 18.448 ( -0.000 2.412 6.957) 7.363 ======================= Grid point 74 (41/112) ======================= q-point: (-0.24 -0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 3.096 4.767 -2.560) 6.234 1.577 ( 8.173 1.774 -6.010) 10.299 1.898 ( 0.208 -3.953 2.281) 4.568 2.115 ( 4.183 5.558 1.798) 7.185 2.521 ( 1.128 0.693 1.772) 2.212 2.602 ( 2.425 0.600 -0.733) 2.603 2.683 ( -1.263 1.767 -1.194) 2.479 2.818 ( 3.327 -9.073 -6.144) 11.451 3.376 ( -3.415 -0.749 1.681) 3.880 3.462 ( 4.358 2.102 -5.101) 7.031 3.784 ( 5.658 7.444 -5.514) 10.855 3.881 ( 8.317 1.190 -4.232) 9.408 7.755 ( -1.048 -0.355 -19.209) 19.241 8.004 ( -8.203 1.326 -24.434) 25.808 8.128 ( -2.529 -2.042 -13.511) 13.896 8.747 ( -6.494 -5.111 -49.505) 50.190 9.412 ( 0.267 -0.577 8.100) 8.125 9.441 ( 0.871 0.881 9.740) 9.819 9.690 ( 2.805 0.620 -11.037) 11.405 9.716 ( 0.283 0.573 14.739) 14.753 10.369 ( -1.466 -5.418 -18.176) 19.023 10.616 ( 2.373 5.809 -20.840) 21.764 12.343 ( -2.751 -0.859 12.853) 13.172 12.387 ( 0.331 -4.086 1.281) 4.295 12.634 ( -8.452 -2.438 -10.856) 13.973 13.301 ( 2.036 2.558 4.398) 5.480 13.510 ( -6.399 5.480 6.751) 10.796 14.142 ( -15.484 1.803 6.254) 16.797 14.305 ( 9.283 2.030 1.353) 9.598 14.653 ( 10.562 -9.411 1.062) 14.186 14.905 ( 2.531 -0.637 -7.716) 8.146 15.418 ( 5.670 5.553 9.163) 12.122 16.915 ( 2.303 -2.639 11.426) 11.950 17.097 ( 5.645 6.346 11.810) 14.547 17.853 ( 2.884 0.744 13.643) 13.964 18.368 ( -3.759 -2.067 5.455) 6.939 ======================= Grid point 75 (42/112) ======================= q-point: (-0.24 -0.07 0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 4.060 4.732 2.578) 6.747 1.738 ( 1.455 2.736 -0.988) 3.252 1.811 ( -0.015 -3.771 -0.077) 3.772 2.211 ( 0.253 1.480 3.185) 3.521 2.546 ( 3.681 -5.199 -7.186) 9.603 2.590 ( -0.268 -0.177 -1.197) 1.239 2.650 ( 1.432 -4.345 -2.090) 5.029 2.842 ( 4.371 1.085 1.224) 4.667 3.297 ( -3.121 -0.311 0.827) 3.244 3.596 ( 4.318 1.082 2.065) 4.907 3.871 ( 1.998 -1.912 -5.724) 6.357 4.111 ( 4.559 4.731 -0.649) 6.602 7.734 ( -0.675 0.076 -19.673) 19.685 7.973 ( -3.264 6.861 -23.212) 24.424 8.059 ( -3.103 -0.178 -13.635) 13.984 8.480 ( -5.859 -7.103 -53.533) 54.319 9.406 ( 0.348 -0.565 6.354) 6.389 9.468 ( 0.472 0.410 9.647) 9.667 9.732 ( 0.013 0.720 14.924) 14.941 9.763 ( 2.740 0.588 -12.099) 12.420 10.244 ( -0.453 -4.738 -16.866) 17.525 10.728 ( -0.482 3.792 -24.306) 24.605 12.173 ( -4.356 -4.411 -5.155) 8.062 12.328 ( 0.140 -0.013 15.669) 15.670 12.645 ( 2.128 0.948 -10.590) 10.843 13.375 ( -0.624 4.307 11.854) 12.628 13.577 ( -2.059 8.050 1.194) 8.394 13.863 ( -18.913 5.400 11.243) 22.655 14.399 ( 9.954 -9.610 2.066) 13.989 14.752 ( 9.598 -2.269 -5.363) 11.227 14.896 ( 1.124 -3.861 0.951) 4.132 15.559 ( 0.931 2.867 8.979) 9.472 16.911 ( 2.308 -2.341 11.559) 12.017 17.292 ( 2.759 4.211 12.897) 13.845 17.907 ( 2.126 -0.348 13.175) 13.350 18.267 ( -2.416 -1.510 3.596) 4.588 ======================= Grid point 78 (43/112) ======================= q-point: (-0.08 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 0.000 -0.000 -18.389) 18.389 0.708 ( 0.000 -0.000 -18.389) 18.389 1.364 ( 0.000 -0.000 -19.981) 19.981 2.165 ( -0.000 0.000 4.439) 4.439 2.359 ( 0.000 -0.000 -10.660) 10.660 2.607 ( -0.000 0.000 1.385) 1.385 2.607 ( -0.000 0.000 1.385) 1.385 2.827 ( -0.000 0.000 0.725) 0.725 3.217 ( 0.000 -0.000 -4.923) 4.923 3.217 ( 0.000 -0.000 -4.923) 4.923 3.317 ( 0.000 -0.000 -5.863) 5.863 3.521 ( -0.000 0.000 1.085) 1.085 6.465 ( 0.000 -0.000 -49.365) 49.365 7.168 ( 0.000 -0.000 -10.800) 10.800 7.676 ( 0.000 -0.000 -13.263) 13.263 7.676 ( 0.000 -0.000 -13.263) 13.263 9.295 ( 0.000 -0.000 -3.643) 3.643 9.491 ( 0.000 -0.000 -9.373) 9.373 9.491 ( 0.000 -0.000 -9.373) 9.373 9.943 ( 0.000 -0.000 -0.031) 0.031 9.943 ( 0.000 -0.000 -0.031) 0.031 10.197 ( -0.000 0.000 8.314) 8.314 11.859 ( 0.000 -0.000 -13.902) 13.902 13.027 ( -0.000 0.000 8.456) 8.456 13.349 ( -0.000 0.000 4.790) 4.790 13.349 ( -0.000 0.000 4.790) 4.790 13.509 ( 0.000 -0.000 -5.284) 5.284 14.204 ( -0.000 0.000 9.453) 9.453 14.319 ( 0.000 -0.000 -8.769) 8.769 14.379 ( 0.000 -0.000 -2.102) 2.102 14.379 ( 0.000 -0.000 -2.102) 2.102 15.992 ( -0.000 0.000 20.839) 20.839 17.265 ( -0.000 0.000 5.782) 5.782 17.265 ( -0.000 0.000 5.782) 5.782 18.393 ( -0.000 0.000 12.468) 12.468 18.569 ( 0.000 -0.000 -2.175) 2.175 ======================= Grid point 79 (44/112) ======================= q-point: (-0.08 -0.08 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 8.142 8.142 -15.729) 19.493 1.094 ( 11.259 11.259 -9.441) 18.511 1.649 ( 14.123 14.123 -12.519) 23.572 2.151 ( -0.439 -0.439 3.600) 3.653 2.409 ( -0.322 -0.322 -8.266) 8.278 2.619 ( 0.001 0.001 2.007) 2.007 2.625 ( 0.895 0.895 1.350) 1.850 2.749 ( -2.180 -2.180 -0.142) 3.087 3.126 ( 2.424 2.424 -6.034) 6.940 3.426 ( 8.026 8.026 -3.187) 11.789 3.500 ( 0.705 0.705 0.380) 1.066 3.522 ( 5.944 5.944 -4.499) 9.534 6.237 ( -9.858 -9.858 -49.944) 51.853 7.145 ( -1.234 -1.234 -11.012) 11.149 7.550 ( -5.867 -5.867 -15.344) 17.444 7.816 ( 4.248 4.248 -12.686) 14.036 9.334 ( 1.190 1.190 -3.129) 3.553 9.478 ( -0.128 -0.128 -7.813) 7.815 9.506 ( -1.166 -1.166 -7.502) 7.681 9.943 ( -0.036 -0.036 0.188) 0.195 10.041 ( 1.759 1.759 1.293) 2.804 10.198 ( 0.462 0.462 8.544) 8.569 11.904 ( 1.637 1.637 -15.773) 15.942 12.649 ( -19.923 -19.923 -2.679) 28.303 12.900 ( -2.148 -2.148 10.068) 10.516 13.458 ( 2.774 2.774 4.315) 5.832 13.934 ( 7.037 7.037 -3.287) 10.481 14.142 ( 3.854 3.854 15.800) 16.714 14.362 ( -0.954 -0.954 -2.210) 2.589 14.574 ( 12.470 12.470 -1.708) 17.718 14.850 ( 10.633 10.633 14.056) 20.584 15.961 ( -0.276 -0.276 18.911) 18.915 17.254 ( -0.498 -0.498 5.544) 5.589 17.323 ( 3.268 3.268 3.358) 5.712 18.393 ( -7.328 -7.328 -10.327) 14.630 18.411 ( 0.898 0.898 12.186) 12.252 ======================= Grid point 80 (45/112) ======================= q-point: (-0.08 -0.08 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 11.354 11.354 -11.310) 19.640 1.422 ( 7.540 7.540 -9.844) 14.513 1.945 ( -0.314 -0.314 2.748) 2.784 2.179 ( -10.235 -10.235 -8.634) 16.854 2.215 ( 3.152 3.152 -1.261) 4.632 2.655 ( 0.597 0.597 1.404) 1.638 2.666 ( 2.011 2.011 3.266) 4.330 2.790 ( 4.591 4.591 0.048) 6.492 3.390 ( 8.507 8.507 -4.202) 12.743 3.394 ( -2.793 -2.793 0.711) 4.014 3.693 ( 3.144 3.144 -1.816) 4.802 3.901 ( 12.340 12.340 -1.224) 17.495 5.909 ( -6.326 -6.326 -53.658) 54.399 7.090 ( -1.386 -1.386 -11.840) 12.001 7.334 ( -4.940 -4.940 -19.274) 20.501 7.849 ( -2.542 -2.542 -7.231) 8.075 9.334 ( -0.689 -0.689 -5.616) 5.700 9.399 ( -3.547 -3.547 -18.002) 18.688 9.501 ( 0.737 0.737 -2.038) 2.290 9.939 ( -0.167 -0.167 1.016) 1.043 10.016 ( -1.322 -1.322 0.099) 1.873 10.233 ( 0.883 0.883 9.134) 9.219 11.806 ( -8.312 -8.312 -20.573) 23.695 12.205 ( -2.165 -2.165 -3.421) 4.591 12.882 ( 0.126 0.126 11.458) 11.459 13.598 ( 4.847 4.847 3.488) 7.691 14.104 ( 3.499 3.499 -5.160) 7.150 14.308 ( -1.951 -1.951 -2.690) 3.853 14.359 ( 6.678 6.678 23.488) 25.316 14.902 ( -5.697 -5.697 22.227) 23.642 15.006 ( 9.063 9.063 5.361) 13.893 16.022 ( 2.473 2.473 16.076) 16.452 17.236 ( -0.377 -0.377 4.986) 5.015 17.493 ( 5.397 5.397 0.082) 7.633 18.144 ( -5.749 -5.749 -14.313) 16.461 18.447 ( 0.860 0.860 11.639) 11.702 ======================= Grid point 81 (46/112) ======================= q-point: (-0.08 -0.08 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 0.000 0.000 -6.509) 6.509 1.599 ( 0.000 0.000 -11.551) 11.551 1.857 ( -0.000 -0.000 -12.177) 12.177 1.885 ( 0.000 0.000 6.192) 6.192 2.260 ( 0.000 0.000 -1.319) 1.319 2.668 ( 0.000 0.000 1.870) 1.870 2.710 ( 0.000 0.000 3.375) 3.375 2.918 ( 0.000 0.000 0.648) 0.648 3.322 ( 0.000 0.000 0.500) 0.500 3.570 ( 0.000 0.000 -5.734) 5.734 3.748 ( 0.000 0.000 2.933) 2.933 4.159 ( 0.000 0.000 0.611) 0.611 5.807 ( 0.000 0.000 -56.024) 56.024 7.066 ( 0.000 0.000 -12.216) 12.216 7.233 ( 0.000 0.000 -21.595) 21.595 7.757 ( 0.000 0.000 -2.981) 2.981 9.319 ( 0.000 0.000 -6.654) 6.654 9.326 ( 0.000 0.000 -24.977) 24.977 9.511 ( 0.000 0.000 0.316) 0.316 9.935 ( 0.000 0.000 1.637) 1.637 9.993 ( 0.000 0.000 0.606) 0.606 10.250 ( 0.000 0.000 9.278) 9.278 11.612 ( 0.000 0.000 -19.865) 19.865 12.205 ( 0.000 0.000 -6.408) 6.408 12.884 ( 0.000 0.000 10.659) 10.659 13.714 ( -0.000 -0.000 2.613) 2.613 14.212 ( -0.000 -0.000 -9.044) 9.044 14.227 ( 0.000 0.000 0.980) 0.980 14.604 ( 0.000 0.000 36.357) 36.357 14.641 ( -0.000 -0.000 13.357) 13.357 15.178 ( 0.000 0.000 7.429) 7.429 16.072 ( 0.000 0.000 15.214) 15.214 17.229 ( 0.000 0.000 4.666) 4.666 17.626 ( 0.000 0.000 -0.485) 0.485 18.015 ( 0.000 0.000 -14.806) 14.806 18.464 ( -0.000 -0.000 11.372) 11.372 ======================= Grid point 85 (47/112) ======================= q-point: ( 0.08 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.307 ( -0.000 17.036 -0.000) 17.036 0.565 ( -0.000 30.023 -0.000) 30.023 0.851 ( -0.000 44.994 -0.000) 44.994 2.211 ( -0.000 10.769 -0.000) 10.769 2.250 ( 0.000 -1.715 0.000) 1.715 2.634 ( -0.000 0.986 -0.000) 0.986 2.646 ( -0.000 2.165 -0.000) 2.165 2.766 ( 0.000 -5.785 0.000) 5.785 3.006 ( 0.000 -4.741 0.000) 4.741 3.212 ( -0.000 8.497 -0.000) 8.497 3.376 ( -0.000 11.626 -0.000) 11.626 3.531 ( 0.000 -0.567 0.000) 0.567 5.246 ( 0.000 -14.156 0.000) 14.156 6.932 ( 0.000 -1.390 0.000) 1.390 7.337 ( 0.000 -1.244 0.000) 1.244 7.338 ( 0.000 -1.147 0.000) 1.147 9.218 ( 0.000 -3.452 0.000) 3.452 9.312 ( -0.000 6.415 -0.000) 6.415 9.504 ( 0.000 -5.376 0.000) 5.376 9.999 ( -0.000 0.495 -0.000) 0.495 10.264 ( 0.000 -3.903 0.000) 3.903 10.363 ( 0.000 -0.604 0.000) 0.604 11.514 ( -0.000 0.955 -0.000) 0.955 12.881 ( 0.000 -29.480 0.000) 29.480 13.200 ( -0.000 0.227 -0.000) 0.227 13.385 ( 0.000 -13.298 0.000) 13.298 13.949 ( -0.000 21.892 -0.000) 21.892 14.135 ( 0.000 -5.812 0.000) 5.812 14.332 ( -0.000 15.194 -0.000) 15.194 14.684 ( -0.000 17.570 -0.000) 17.570 16.309 ( 0.000 -15.076 0.000) 15.076 16.698 ( 0.000 -1.246 0.000) 1.246 16.970 ( -0.000 12.032 -0.000) 12.032 17.375 ( -0.000 0.060 -0.000) 0.060 17.377 ( -0.000 0.195 -0.000) 0.195 18.665 ( -0.000 0.717 -0.000) 0.717 ======================= Grid point 86 (48/112) ======================= q-point: ( 0.08 -0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 4.850 15.548 -0.000) 16.287 0.920 ( -8.666 29.979 -0.000) 31.206 1.829 ( 15.791 23.388 -0.000) 28.220 2.187 ( -2.327 -2.641 0.000) 3.520 2.258 ( -15.810 3.580 -0.000) 16.210 2.670 ( 0.965 1.576 -0.000) 1.848 2.709 ( 2.725 0.092 0.000) 2.726 2.710 ( 1.493 2.927 -0.000) 3.286 3.131 ( 8.732 12.921 -0.000) 15.595 3.437 ( -0.244 -4.045 0.000) 4.053 3.507 ( 10.550 7.686 0.000) 13.053 3.690 ( 4.455 15.698 -0.000) 16.318 4.844 ( -4.358 -20.897 0.000) 21.347 6.883 ( -1.204 -2.498 0.000) 2.773 7.049 ( -13.220 -4.756 -0.000) 14.049 7.539 ( 10.576 0.942 0.000) 10.618 9.119 ( -2.016 -11.952 0.000) 12.121 9.255 ( -7.789 -6.655 -0.000) 10.245 9.484 ( 1.950 8.139 -0.000) 8.370 9.999 ( -1.002 0.885 -0.000) 1.337 10.121 ( -3.439 -2.687 -0.000) 4.364 10.398 ( 3.228 -1.102 0.000) 3.411 11.439 ( -7.973 -4.814 -0.000) 9.313 12.253 ( -7.883 -16.345 0.000) 18.147 13.173 ( -0.404 -2.137 0.000) 2.174 13.391 ( 17.207 -10.563 0.000) 20.190 14.052 ( 5.194 0.466 0.000) 5.215 14.240 ( -6.128 8.939 -0.000) 10.838 14.819 ( 5.521 10.739 -0.000) 12.075 14.948 ( 1.097 22.417 -0.000) 22.444 15.969 ( -6.953 -11.633 0.000) 13.553 16.663 ( -0.517 -1.727 0.000) 1.803 17.227 ( 4.285 8.681 -0.000) 9.681 17.347 ( -1.528 -0.344 -0.000) 1.567 17.411 ( 1.599 0.604 0.000) 1.709 18.686 ( 0.313 1.058 -0.000) 1.103 ======================= Grid point 87 (49/112) ======================= q-point: ( 0.08 -0.08 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -0.185 10.660 -0.000) 10.661 1.340 ( 0.423 21.469 -0.000) 21.473 1.901 ( -23.924 3.535 -0.000) 24.184 2.090 ( -2.318 -1.861 -0.000) 2.973 2.175 ( 0.164 3.899 -0.000) 3.902 2.711 ( 0.317 1.148 -0.000) 1.191 2.781 ( 0.898 1.582 -0.000) 1.819 2.879 ( 5.095 4.903 0.000) 7.071 3.317 ( 0.390 -5.077 0.000) 5.092 3.478 ( -1.940 9.944 -0.000) 10.132 3.778 ( 4.832 5.657 -0.000) 7.439 4.149 ( 9.502 10.623 -0.000) 14.252 4.469 ( 3.618 -15.802 0.000) 16.211 6.786 ( -8.770 0.380 -0.000) 8.778 6.816 ( -0.720 -1.938 0.000) 2.068 7.696 ( 6.963 -2.310 0.000) 7.336 8.706 ( -6.956 -10.888 0.000) 12.920 9.160 ( 1.912 -3.449 0.000) 3.944 9.624 ( -0.900 5.131 -0.000) 5.210 9.999 ( -0.873 0.910 -0.000) 1.261 10.066 ( -0.200 -0.703 0.000) 0.731 10.427 ( 2.341 -1.445 0.000) 2.751 11.125 ( -7.999 -5.213 -0.000) 9.548 12.070 ( 2.530 -4.153 0.000) 4.863 13.135 ( -1.083 -0.113 -0.000) 1.089 13.507 ( 18.663 -14.528 0.000) 23.651 14.179 ( 0.541 5.856 -0.000) 5.881 14.249 ( -5.728 4.392 -0.000) 7.218 14.926 ( -2.004 2.987 -0.000) 3.597 15.359 ( 0.829 13.787 -0.000) 13.811 15.698 ( -6.190 -3.604 -0.000) 7.163 16.630 ( 0.076 -1.105 0.000) 1.107 17.319 ( -1.033 0.126 -0.000) 1.041 17.397 ( 1.203 3.723 -0.000) 3.913 17.443 ( 1.017 -0.008 0.000) 1.017 18.706 ( -0.057 0.714 -0.000) 0.716 ======================= Grid point 91 (50/112) ======================= q-point: ( 0.24 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -0.000 13.360 8.500) 15.834 1.257 ( -0.000 20.078 7.652) 21.487 1.869 ( -0.000 21.272 8.570) 22.933 2.118 ( 0.000 -2.454 -3.576) 4.337 2.529 ( -0.000 5.518 3.082) 6.320 2.629 ( -0.000 2.039 -1.327) 2.433 2.642 ( 0.000 -1.095 -1.660) 1.989 2.777 ( -0.000 6.120 2.635) 6.663 3.136 ( -0.000 5.071 6.037) 7.884 3.431 ( 0.000 -4.107 -0.473) 4.134 3.480 ( -0.000 11.189 4.070) 11.906 3.716 ( -0.000 12.241 2.820) 12.561 6.008 ( -0.000 -20.313 51.062) 54.954 7.124 ( -0.000 -2.260 11.180) 11.407 7.629 ( -0.000 -2.616 12.777) 13.042 7.716 ( -0.000 -1.632 16.391) 16.472 9.391 ( -0.000 0.662 1.891) 2.004 9.400 ( -0.000 -4.945 11.812) 12.806 9.529 ( -0.000 1.652 5.852) 6.081 9.954 ( 0.000 0.399 -0.796) 0.890 10.066 ( 0.000 0.123 -1.398) 1.404 10.184 ( 0.000 -0.837 -7.850) 7.894 11.962 ( -0.000 4.487 16.856) 17.443 12.451 ( 0.000 -24.404 4.312) 24.782 12.856 ( 0.000 -1.386 -11.424) 11.508 13.199 ( 0.000 -6.240 0.517) 6.262 13.778 ( 0.000 -10.004 -6.807) 12.100 14.367 ( -0.000 21.473 -3.764) 21.801 14.522 ( 0.000 0.105 -5.323) 5.324 14.904 ( -0.000 16.164 -4.378) 16.746 14.939 ( 0.000 16.765 -17.240) 24.048 15.952 ( 0.000 0.664 -18.040) 18.052 17.306 ( 0.000 2.261 -4.376) 4.926 17.317 ( -0.000 3.035 -2.652) 4.031 18.282 ( -0.000 -9.143 12.029) 15.109 18.438 ( 0.000 1.823 -10.873) 11.025 ======================= Grid point 92 (51/112) ======================= q-point: ( 0.24 -0.09 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 1.111 13.550 6.919) 15.255 1.581 ( 0.570 13.242 5.542) 14.366 1.994 ( -5.438 -0.702 -3.722) 6.628 2.231 ( 1.887 6.426 0.871) 6.754 2.482 ( -14.336 6.938 4.104) 16.447 2.678 ( 0.855 2.685 -2.835) 3.997 2.689 ( -0.964 1.993 -0.779) 2.347 2.821 ( -1.634 7.947 1.458) 8.243 3.328 ( -0.405 -6.186 -0.336) 6.209 3.482 ( 8.348 14.028 1.999) 16.446 3.718 ( 1.445 7.889 3.111) 8.603 3.969 ( 5.063 10.995 0.649) 12.122 5.669 ( 4.293 -17.160 55.672) 58.414 7.073 ( -0.346 -2.365 11.840) 12.079 7.444 ( -8.779 -0.797 17.615) 19.698 7.729 ( 3.476 -7.552 9.278) 12.458 9.296 ( 0.715 -6.916 17.002) 18.369 9.311 ( -0.351 -5.143 8.877) 10.265 9.583 ( -1.992 4.386 1.764) 5.130 9.955 ( -0.450 0.343 -1.497) 1.600 10.014 ( -1.566 -1.835 -0.607) 2.488 10.198 ( 2.358 -0.913 -8.075) 8.462 11.841 ( -10.794 -9.177 17.600) 22.594 12.155 ( 3.859 -2.961 9.325) 10.517 12.877 ( 0.878 1.047 -11.693) 11.773 13.244 ( 12.481 -6.547 1.531) 14.177 13.777 ( 14.341 -6.088 -10.548) 18.815 14.312 ( -6.833 -5.052 -9.248) 12.560 14.771 ( 3.981 5.942 -9.811) 12.142 15.003 ( -14.442 17.170 -10.650) 24.836 15.243 ( -1.691 12.566 -11.605) 17.188 16.011 ( 2.496 1.721 -16.575) 16.850 17.291 ( -3.357 2.453 -3.543) 5.463 17.472 ( 5.879 3.830 -0.410) 7.028 18.114 ( -2.762 -5.566 13.936) 15.258 18.473 ( -0.335 1.986 -11.038) 11.220 ======================= Grid point 93 (52/112) ======================= q-point: ( 0.24 -0.09 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 274 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -3.805 3.805 7.464) 9.201 1.699 ( -4.107 4.107 4.463) 7.325 1.905 ( -1.313 1.313 -6.227) 6.498 2.292 ( -2.442 2.442 0.169) 3.457 2.374 ( -19.567 19.567 7.299) 28.619 2.689 ( -1.028 1.028 -1.433) 2.041 2.719 ( -0.505 0.505 -3.535) 3.606 2.941 ( -2.151 2.151 -0.348) 3.062 3.237 ( 3.530 -3.530 0.314) 5.003 3.738 ( -7.539 7.539 3.891) 11.349 3.758 ( -0.449 0.449 -2.195) 2.285 4.157 ( 0.018 -0.018 -0.458) 0.459 5.571 ( 10.300 -10.300 57.821) 59.627 7.046 ( 1.083 -1.083 12.337) 12.432 7.350 ( -4.340 4.340 20.080) 20.997 7.647 ( 5.192 -5.192 4.350) 8.534 9.219 ( 4.416 -4.416 23.729) 24.537 9.269 ( 2.992 -2.992 9.511) 10.410 9.601 ( -3.417 3.417 0.198) 4.836 9.955 ( -0.683 0.683 -1.841) 2.079 9.981 ( 0.543 -0.543 -1.122) 1.360 10.213 ( 1.685 -1.685 -8.331) 8.665 11.629 ( -0.078 0.078 17.325) 17.325 12.185 ( 1.792 -1.792 12.042) 12.306 12.896 ( -1.327 1.327 -11.337) 11.491 13.307 ( 12.133 -12.133 2.838) 17.392 13.971 ( 9.206 -9.206 -8.777) 15.702 14.093 ( 6.322 -6.322 -16.431) 18.706 14.837 ( -6.649 6.649 -6.168) 11.246 15.033 ( -15.308 15.308 -15.783) 26.791 15.350 ( -7.452 7.452 -10.307) 14.741 16.054 ( 0.852 -0.852 -15.821) 15.867 17.282 ( -2.800 2.800 -3.339) 5.180 17.586 ( 1.854 -1.854 0.460) 2.662 18.020 ( -0.198 0.198 13.939) 13.942 18.489 ( -1.175 1.175 -10.893) 11.019 ======================= Grid point 98 (53/112) ======================= q-point: ( 0.40 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -0.000 6.283 -0.051) 6.283 1.685 ( -0.000 4.773 0.378) 4.788 1.967 ( 0.000 -0.873 -0.950) 1.290 2.115 ( 0.000 3.781 -4.011) 5.513 2.534 ( 0.000 1.518 -2.426) 2.862 2.635 ( -0.000 0.332 0.527) 0.623 2.700 ( -0.000 4.853 1.141) 4.985 3.043 ( -0.000 7.313 2.290) 7.663 3.296 ( 0.000 -5.024 -0.750) 5.080 3.555 ( -0.000 8.735 5.335) 10.235 3.851 ( -0.000 8.152 3.438) 8.848 4.003 ( -0.000 5.649 2.085) 6.022 7.733 ( -0.000 -1.484 19.586) 19.642 7.811 ( -0.000 -8.417 32.102) 33.187 8.064 ( -0.000 -5.379 12.210) 13.342 8.650 ( -0.000 -10.175 44.355) 45.507 9.437 ( 0.000 0.852 -8.434) 8.477 9.442 ( 0.000 0.850 -7.432) 7.481 9.710 ( 0.000 0.045 -14.698) 14.698 9.753 ( -0.000 4.036 11.052) 11.766 10.448 ( -0.000 -0.201 21.359) 21.360 10.544 ( -0.000 -0.023 20.304) 20.304 12.318 ( 0.000 0.052 -13.622) 13.622 12.383 ( 0.000 -13.759 8.857) 16.363 12.551 ( -0.000 7.104 -0.019) 7.104 13.235 ( 0.000 -11.408 -6.498) 13.129 13.338 ( -0.000 1.768 7.385) 7.594 13.806 ( 0.000 -16.749 -8.943) 18.987 14.520 ( -0.000 11.917 -3.435) 12.402 14.940 ( -0.000 8.846 -4.850) 10.089 14.987 ( -0.000 4.729 0.924) 4.818 15.442 ( 0.000 2.928 -8.339) 8.838 17.056 ( 0.000 4.888 -11.563) 12.554 17.094 ( 0.000 4.910 -11.863) 12.839 17.916 ( 0.000 4.082 -13.000) 13.626 18.311 ( 0.000 -4.278 -4.815) 6.441 ======================= Grid point 99 (54/112) ======================= q-point: ( 0.40 -0.10 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 2.396 6.185 -2.880) 7.231 1.730 ( -1.106 -0.057 -2.714) 2.931 1.897 ( -3.455 -0.256 0.602) 3.516 2.192 ( 1.071 1.482 -5.010) 5.333 2.575 ( 0.692 1.253 -2.404) 2.798 2.672 ( 0.174 3.608 -0.038) 3.613 2.747 ( -1.408 0.316 -0.046) 1.444 3.084 ( -9.097 9.573 2.130) 13.377 3.215 ( 0.930 -4.347 0.486) 4.472 3.713 ( -2.013 7.488 0.134) 7.755 3.977 ( -1.702 4.567 2.158) 5.330 4.106 ( 2.761 2.544 -0.262) 3.764 7.711 ( 0.466 -1.145 20.023) 20.061 7.765 ( 5.862 -2.889 33.575) 34.205 7.961 ( 0.387 -5.838 12.695) 13.978 8.424 ( -0.543 -9.697 44.862) 45.901 9.436 ( -1.088 0.943 -6.333) 6.495 9.469 ( 0.492 0.475 -7.995) 8.024 9.717 ( 0.503 -0.086 -14.650) 14.658 9.826 ( -0.600 3.717 12.427) 12.985 10.362 ( -5.783 1.288 20.554) 21.391 10.604 ( 5.268 -2.685 24.271) 24.980 12.146 ( -1.934 -6.057 10.265) 12.075 12.349 ( -0.481 2.342 -14.993) 15.182 12.680 ( 0.589 3.504 1.912) 4.035 13.137 ( 9.143 -7.615 -8.758) 14.774 13.320 ( 6.581 -12.365 -5.398) 15.012 13.591 ( -1.534 -3.231 7.129) 7.976 14.679 ( -3.148 7.762 -5.966) 10.284 15.020 ( -5.607 7.600 -4.961) 10.668 15.040 ( -4.054 4.671 -3.729) 7.222 15.499 ( 3.058 -0.949 -9.163) 9.706 17.058 ( -5.216 4.870 -11.709) 13.712 17.253 ( 4.218 1.913 -12.472) 13.304 17.978 ( -1.178 3.263 -12.526) 12.997 18.235 ( -0.265 -2.739 -3.798) 4.690 ======================= Grid point 104 (55/112) ======================= q-point: ( 0.56 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -0.000 3.934 -1.325) 4.151 1.660 ( 0.000 -0.446 -0.697) 0.828 1.922 ( 0.000 -1.618 -0.722) 1.772 1.980 ( 0.000 0.400 -2.623) 2.653 2.534 ( -0.000 1.548 -0.235) 1.566 2.617 ( 0.000 0.231 -0.650) 0.690 2.718 ( 0.000 -3.678 -1.982) 4.178 3.160 ( -0.000 3.224 -1.843) 3.714 3.256 ( -0.000 -0.143 1.941) 1.946 3.766 ( -0.000 4.178 -1.645) 4.490 3.960 ( 0.000 0.121 -2.097) 2.100 4.061 ( 0.000 -1.107 -1.245) 1.666 8.466 ( -0.000 -2.455 11.728) 11.983 8.477 ( -0.000 -2.689 10.866) 11.194 8.566 ( -0.000 -0.780 21.265) 21.279 9.004 ( 0.000 0.292 -19.219) 19.222 9.061 ( 0.000 1.797 -9.292) 9.464 9.071 ( 0.000 1.456 -8.851) 8.970 10.124 ( -0.000 -6.335 18.463) 19.520 10.479 ( -0.000 7.530 13.546) 15.499 11.029 ( -0.000 0.051 3.504) 3.504 11.102 ( -0.000 -2.068 4.779) 5.207 11.924 ( -0.000 1.409 2.018) 2.461 12.218 ( 0.000 1.381 -19.918) 19.966 12.572 ( -0.000 1.337 7.856) 7.969 13.121 ( -0.000 -6.211 6.770) 9.188 13.235 ( 0.000 -15.995 5.136) 16.799 13.961 ( -0.000 16.058 3.462) 16.427 14.485 ( 0.000 -0.849 -4.653) 4.730 14.878 ( -0.000 4.092 -3.571) 5.431 15.011 ( 0.000 -0.783 -0.097) 0.788 15.291 ( 0.000 -3.579 -0.933) 3.699 16.650 ( 0.000 1.621 -8.046) 8.207 16.672 ( 0.000 0.899 -8.109) 8.158 17.805 ( -0.000 3.706 5.194) 6.381 17.858 ( 0.000 -2.964 -11.677) 12.048 ======================= Grid point 105 (56/112) ======================= q-point: (-0.44 -0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -2.427 2.427 -2.022) 3.984 1.655 ( 0.662 -0.662 -0.327) 0.992 1.869 ( -1.143 1.143 -1.604) 2.277 2.009 ( 1.987 -1.987 -2.754) 3.934 2.581 ( 0.118 -0.118 1.577) 1.585 2.616 ( 1.002 -1.002 -3.727) 3.987 2.651 ( 1.491 -1.491 -2.253) 3.085 3.188 ( -3.169 3.169 -3.056) 5.425 3.257 ( 0.029 -0.029 2.960) 2.960 3.783 ( -5.630 5.630 -3.202) 8.582 3.985 ( 1.851 -1.851 -3.068) 4.033 4.045 ( 2.166 -2.166 -2.622) 4.032 8.436 ( 0.957 -0.957 12.401) 12.474 8.458 ( 2.144 -2.144 12.559) 12.920 8.559 ( 0.387 -0.387 21.366) 21.373 9.007 ( -0.113 0.113 -19.368) 19.368 9.081 ( -0.899 0.899 -9.281) 9.368 9.085 ( -0.725 0.725 -9.366) 9.422 10.061 ( 2.942 -2.942 20.746) 21.159 10.573 ( -4.225 4.225 15.141) 16.278 10.985 ( -2.213 2.213 3.251) 4.512 11.109 ( 3.360 -3.360 3.317) 5.795 11.933 ( -1.522 1.522 0.365) 2.183 12.210 ( -2.450 2.450 -19.768) 20.069 12.652 ( 0.863 -0.863 11.360) 11.426 12.971 ( 4.067 -4.067 3.156) 6.560 13.128 ( 8.893 -8.893 10.854) 16.613 14.133 ( -10.158 10.158 6.327) 15.698 14.473 ( 0.731 -0.731 -7.544) 7.615 14.862 ( -4.553 4.553 -4.699) 7.971 15.075 ( 3.919 -3.919 0.377) 5.555 15.227 ( 2.171 -2.171 -2.480) 3.947 16.628 ( -2.759 2.759 -9.209) 10.002 16.720 ( 1.746 -1.746 -9.566) 9.880 17.826 ( 1.282 -1.282 -11.821) 11.959 17.842 ( -1.988 1.988 4.977) 5.716 ======================= Grid point 108 (57/112) ======================= q-point: ( 0.56 -0.10 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -0.576 0.576 0.494) 0.952 1.722 ( -2.249 2.249 -0.850) 3.292 1.789 ( 1.670 -1.670 0.281) 2.378 2.076 ( -1.446 1.446 -1.416) 2.487 2.609 ( -2.424 2.424 3.379) 4.813 2.635 ( 0.082 -0.082 -0.570) 0.582 2.689 ( -2.535 2.535 -1.155) 3.766 3.000 ( 2.981 -2.981 5.035) 6.567 3.286 ( 0.843 -0.843 -1.388) 1.829 3.530 ( 4.532 -4.532 0.328) 6.417 4.050 ( -1.297 1.297 3.637) 4.074 4.058 ( -3.650 3.650 0.484) 5.185 8.524 ( 1.143 -1.143 6.225) 6.431 8.579 ( -0.101 0.101 17.163) 17.164 8.612 ( 0.070 -0.070 10.516) 10.516 8.994 ( -0.306 0.306 -19.956) 19.961 9.020 ( -0.575 0.575 -6.921) 6.969 9.024 ( -0.735 0.735 -6.703) 6.783 10.269 ( -3.838 3.838 8.853) 10.384 10.434 ( 4.523 -4.523 17.649) 18.772 10.837 ( 3.767 -3.767 6.756) 8.604 11.232 ( -2.613 2.613 3.075) 4.807 11.849 ( 1.208 -1.208 2.434) 2.974 12.053 ( 2.347 -2.347 -13.276) 13.684 12.977 ( -5.574 5.574 -9.157) 12.083 13.008 ( -1.280 1.280 7.966) 8.169 13.565 ( -4.475 4.475 -4.422) 7.721 13.752 ( 11.784 -11.784 -0.664) 16.678 14.471 ( -2.749 2.749 3.170) 5.016 14.620 ( 2.369 -2.369 2.001) 3.902 15.208 ( -0.146 0.146 4.885) 4.890 15.263 ( -2.958 2.958 -3.978) 5.773 16.492 ( 1.297 -1.297 -3.973) 4.376 16.762 ( -3.198 3.198 -4.650) 6.486 17.684 ( -1.426 1.426 5.977) 6.308 17.939 ( 2.011 -2.011 -11.143) 11.500 ======================= Grid point 110 (58/112) ======================= q-point: (-0.28 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 0.000 4.053 -4.980) 6.421 1.576 ( 0.000 -2.813 -4.812) 5.574 1.899 ( 0.000 -6.193 -1.014) 6.276 1.909 ( -0.000 -1.016 2.177) 2.403 2.492 ( -0.000 0.242 -0.228) 0.332 2.526 ( 0.000 -3.552 -1.080) 3.712 2.696 ( -0.000 1.614 2.375) 2.872 2.999 ( 0.000 -0.341 -7.262) 7.270 3.385 ( -0.000 1.411 2.791) 3.128 3.613 ( 0.000 3.226 -7.914) 8.546 3.712 ( 0.000 -4.242 -7.296) 8.439 3.851 ( 0.000 -6.334 -5.684) 8.510 8.176 ( 0.000 0.426 -20.442) 20.446 8.430 ( 0.000 2.885 -11.524) 11.879 8.439 ( 0.000 1.864 -10.864) 11.022 9.183 ( -0.000 -0.754 11.857) 11.881 9.187 ( -0.000 -1.056 11.813) 11.860 9.369 ( -0.000 -0.216 18.077) 18.078 9.923 ( 0.000 -0.651 -14.664) 14.678 9.985 ( 0.000 5.989 -49.284) 49.647 10.796 ( 0.000 -0.389 -13.374) 13.379 10.823 ( 0.000 -2.867 -14.098) 14.387 12.078 ( -0.000 1.999 17.511) 17.625 12.293 ( -0.000 -3.134 6.011) 6.779 12.987 ( -0.000 12.116 1.598) 12.221 13.177 ( 0.000 -5.884 1.353) 6.037 13.383 ( -0.000 1.705 11.441) 11.568 14.113 ( 0.000 -9.472 -7.547) 12.111 14.401 ( -0.000 19.716 1.182) 19.752 14.710 ( 0.000 -1.911 -6.042) 6.337 14.990 ( 0.000 -5.943 2.640) 6.503 15.100 ( 0.000 -6.408 -5.247) 8.282 16.696 ( -0.000 -1.725 9.552) 9.707 16.704 ( -0.000 -2.526 9.605) 9.932 17.589 ( -0.000 -2.096 5.064) 5.481 18.262 ( -0.000 1.864 10.929) 11.087 ======================= Grid point 113 (59/112) ======================= q-point: (-0.28 -0.11 0.61) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 2.068 2.351 2.071) 3.754 1.736 ( -1.676 2.118 0.491) 2.745 1.809 ( 1.980 -2.302 0.697) 3.115 2.140 ( -0.003 1.528 3.387) 3.716 2.578 ( 0.385 2.620 -1.359) 2.976 2.639 ( 1.674 -0.252 -1.029) 1.981 2.746 ( -1.088 0.762 -1.433) 1.954 2.861 ( 5.098 -6.894 -5.585) 10.233 3.280 ( -2.017 -0.205 0.733) 2.156 3.543 ( 2.158 -2.766 2.939) 4.577 3.981 ( 1.252 -0.063 -4.807) 4.968 4.119 ( 2.922 3.573 -0.023) 4.616 8.151 ( -0.486 0.087 -21.065) 21.071 8.278 ( -2.331 0.536 -12.429) 12.657 8.354 ( -2.611 1.642 -13.804) 14.144 9.233 ( 0.828 -0.041 9.910) 9.945 9.246 ( 0.898 0.084 11.505) 11.540 9.373 ( -0.235 -0.274 13.392) 13.396 9.611 ( -5.824 -0.566 -44.663) 45.045 10.061 ( 3.551 1.188 -16.113) 16.542 10.582 ( 0.236 -5.860 -14.916) 16.028 11.108 ( 0.182 3.991 -12.544) 13.165 12.009 ( 0.213 -0.795 14.488) 14.512 12.206 ( -1.228 -4.647 2.892) 5.609 12.809 ( -2.381 5.160 -5.827) 8.139 13.239 ( 3.483 3.152 2.371) 5.262 13.555 ( -6.804 3.949 2.404) 8.226 13.669 ( -6.782 -2.130 5.399) 8.927 14.416 ( 4.252 -4.711 -3.214) 7.114 14.708 ( 5.580 -0.316 4.562) 7.214 15.047 ( -0.445 -1.570 -9.481) 9.620 15.405 ( 0.791 2.384 6.209) 6.698 16.669 ( 1.904 -2.331 11.503) 11.890 17.013 ( 2.135 3.455 13.443) 14.043 17.710 ( 2.312 -0.406 5.184) 5.691 18.125 ( -1.928 -0.860 9.737) 9.963 ======================= Grid point 116 (60/112) ======================= q-point: (-0.12 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 0.000 -0.000 -16.609) 16.609 1.069 ( 0.000 -0.000 -16.609) 16.609 1.646 ( 0.000 -0.000 -8.781) 8.781 2.067 ( -0.000 0.000 5.013) 5.013 2.567 ( -0.000 0.000 2.488) 2.488 2.567 ( -0.000 0.000 2.488) 2.488 2.588 ( 0.000 -0.000 -11.452) 11.452 2.805 ( -0.000 0.000 1.521) 1.521 3.341 ( 0.000 -0.000 -7.147) 7.147 3.341 ( 0.000 -0.000 -7.147) 7.147 3.457 ( 0.000 -0.000 -7.677) 7.677 3.493 ( -0.000 0.000 1.706) 1.706 7.435 ( 0.000 -0.000 -15.304) 15.304 7.607 ( 0.000 -0.000 -61.002) 61.002 7.952 ( 0.000 -0.000 -13.504) 13.504 7.952 ( 0.000 -0.000 -13.504) 13.504 9.415 ( 0.000 -0.000 -8.334) 8.334 9.567 ( -0.000 0.000 3.468) 3.468 9.567 ( -0.000 0.000 3.468) 3.468 9.989 ( -0.000 0.000 12.071) 12.071 10.089 ( 0.000 -0.000 -15.220) 15.220 10.089 ( 0.000 -0.000 -15.220) 15.220 12.124 ( 0.000 -0.000 -11.178) 11.178 12.807 ( -0.000 0.000 13.314) 13.314 13.250 ( -0.000 0.000 4.681) 4.681 13.250 ( -0.000 0.000 4.681) 4.681 13.640 ( 0.000 -0.000 -7.533) 7.533 13.978 ( -0.000 0.000 12.617) 12.617 14.440 ( 0.000 -0.000 -3.946) 3.946 14.440 ( 0.000 -0.000 -3.946) 3.946 14.546 ( 0.000 -0.000 -13.216) 13.216 15.548 ( -0.000 0.000 21.923) 21.923 17.112 ( -0.000 0.000 9.206) 9.206 17.112 ( -0.000 0.000 9.206) 9.206 18.098 ( -0.000 0.000 15.950) 15.950 18.571 ( -0.000 0.000 2.311) 2.311 ======================= Grid point 118 (61/112) ======================= q-point: (-0.12 -0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 274 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 8.758 8.758 -10.549) 16.269 1.522 ( 6.875 6.875 -1.321) 9.811 1.894 ( -2.442 -2.442 2.475) 4.249 2.223 ( 3.163 3.163 0.583) 4.511 2.379 ( -8.827 -8.827 -10.629) 16.396 2.602 ( 1.827 1.827 2.602) 3.667 2.628 ( 0.353 0.353 1.060) 1.172 2.783 ( 4.179 4.179 0.680) 5.949 3.375 ( -2.618 -2.618 1.141) 3.874 3.470 ( 7.286 7.286 -3.370) 10.841 3.750 ( 1.074 1.074 -3.959) 4.240 3.937 ( 10.454 10.454 -2.262) 14.957 7.102 ( -3.600 -3.600 -60.231) 60.446 7.379 ( -0.906 -0.906 -16.391) 16.440 7.733 ( -2.931 -2.931 -19.049) 19.495 8.036 ( -5.963 -5.963 -12.493) 15.073 9.441 ( -0.108 -0.108 -4.093) 4.096 9.567 ( 0.302 0.302 -3.208) 3.236 9.595 ( 0.579 0.579 1.430) 1.648 9.998 ( -1.815 -1.815 -8.832) 9.198 10.008 ( 0.704 0.704 12.129) 12.170 10.221 ( 0.098 0.098 -20.790) 20.791 12.169 ( -11.301 -11.301 -11.176) 19.502 12.331 ( 3.198 3.198 -11.606) 12.456 12.626 ( 0.091 0.091 13.568) 13.569 13.509 ( 4.992 4.992 5.499) 8.949 13.877 ( 2.228 2.228 21.090) 21.324 14.189 ( 2.079 2.079 -3.220) 4.360 14.431 ( 0.487 0.487 -9.118) 9.144 14.509 ( -6.799 -6.799 17.828) 20.256 14.902 ( 5.738 5.738 4.191) 9.133 15.731 ( 3.543 3.543 12.535) 13.499 17.098 ( -0.110 -0.110 8.643) 8.645 17.417 ( 6.019 6.019 7.292) 11.208 18.172 ( 1.173 1.173 14.885) 14.977 18.328 ( -4.482 -4.482 -3.984) 7.486 ======================= Grid point 119 (62/112) ======================= q-point: (-0.12 -0.12 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 0.000 0.000 -5.399) 5.399 1.739 ( 0.000 0.000 -3.119) 3.119 1.759 ( -0.000 -0.000 6.092) 6.092 2.141 ( -0.000 -0.000 -15.257) 15.257 2.266 ( 0.000 0.000 0.881) 0.881 2.633 ( -0.000 -0.000 1.370) 1.370 2.642 ( 0.000 0.000 2.960) 2.960 2.897 ( 0.000 0.000 1.407) 1.407 3.310 ( 0.000 0.000 0.737) 0.737 3.683 ( 0.000 0.000 3.400) 3.400 3.703 ( -0.000 -0.000 -7.108) 7.108 4.155 ( 0.000 0.000 -0.097) 0.097 7.066 ( 0.000 0.000 -65.587) 65.587 7.363 ( 0.000 0.000 -16.722) 16.722 7.677 ( 0.000 0.000 -20.963) 20.963 7.864 ( 0.000 0.000 -7.422) 7.422 9.440 ( -0.000 -0.000 -3.132) 3.132 9.572 ( 0.000 0.000 -6.443) 6.443 9.608 ( -0.000 -0.000 0.793) 0.793 9.958 ( 0.000 0.000 -5.828) 5.828 10.025 ( 0.000 0.000 12.679) 12.679 10.216 ( 0.000 0.000 -24.796) 24.796 11.955 ( 0.000 0.000 -12.663) 12.663 12.395 ( 0.000 0.000 -12.208) 12.208 12.634 ( 0.000 0.000 13.805) 13.805 13.643 ( -0.000 -0.000 5.147) 5.147 13.934 ( 0.000 0.000 26.895) 26.895 14.220 ( -0.000 -0.000 -0.540) 0.540 14.324 ( 0.000 0.000 17.374) 17.374 14.442 ( 0.000 0.000 -13.473) 13.473 15.015 ( 0.000 0.000 8.285) 8.285 15.797 ( 0.000 0.000 11.860) 11.860 17.096 ( 0.000 0.000 8.446) 8.446 17.552 ( 0.000 0.000 7.624) 7.624 18.196 ( -0.000 -0.000 14.549) 14.549 18.227 ( 0.000 0.000 -5.796) 5.796 ======================= Grid point 129 (63/112) ======================= q-point: ( 0.21 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -0.000 14.362 17.068) 22.307 1.130 ( -0.000 24.253 4.510) 24.669 1.690 ( -0.000 32.494 7.278) 33.299 2.181 ( 0.000 -2.411 -2.548) 3.508 2.472 ( -0.000 9.915 2.211) 10.159 2.651 ( -0.000 1.692 -0.760) 1.855 2.672 ( 0.000 0.233 -1.201) 1.223 2.729 ( -0.000 4.072 2.073) 4.570 3.038 ( -0.000 5.414 3.441) 6.415 3.417 ( -0.000 11.334 2.109) 11.528 3.437 ( 0.000 -3.836 -0.121) 3.838 3.675 ( -0.000 13.128 1.234) 13.186 5.177 ( -0.000 -23.541 28.747) 37.156 6.952 ( -0.000 -2.558 5.665) 6.216 7.402 ( -0.000 -2.118 8.720) 8.973 7.427 ( -0.000 -2.182 11.172) 11.384 9.192 ( -0.000 -6.996 7.322) 10.127 9.362 ( 0.000 -7.653 1.239) 7.753 9.461 ( -0.000 7.674 0.403) 7.685 9.992 ( 0.000 0.697 -1.806) 1.936 10.135 ( 0.000 -2.342 -3.842) 4.500 10.304 ( 0.000 -1.141 -3.993) 4.152 11.651 ( -0.000 0.931 12.133) 12.169 12.382 ( 0.000 -26.500 2.315) 26.601 13.061 ( 0.000 -3.760 -7.201) 8.124 13.210 ( 0.000 -3.801 -2.049) 4.318 13.883 ( 0.000 -7.527 -3.489) 8.296 14.436 ( -0.000 22.578 -2.710) 22.740 14.576 ( -0.000 8.454 -1.214) 8.540 14.985 ( -0.000 18.281 -3.246) 18.566 15.507 ( 0.000 10.126 -36.622) 37.996 16.314 ( 0.000 1.635 -17.476) 17.552 17.320 ( -0.000 0.884 2.105) 2.283 17.363 ( 0.000 0.796 -1.487) 1.687 17.862 ( -0.000 -9.204 29.503) 30.906 18.619 ( 0.000 1.450 -6.225) 6.392 ======================= Grid point 130 (64/112) ======================= q-point: ( 0.21 -0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 0.635 15.470 14.032) 20.895 1.459 ( -3.948 18.643 5.009) 19.703 2.076 ( -3.755 1.496 -4.025) 5.704 2.197 ( 0.212 8.111 2.143) 8.392 2.409 ( -19.785 9.026 2.871) 21.936 2.696 ( 0.068 1.862 -0.485) 1.925 2.737 ( 1.398 2.997 -2.163) 3.951 2.795 ( 1.243 7.472 1.117) 7.656 3.331 ( -1.053 -6.027 0.007) 6.118 3.451 ( 8.995 16.906 0.947) 19.173 3.674 ( 3.695 8.555 1.210) 9.397 3.965 ( 6.191 12.684 -0.238) 14.116 4.743 ( 4.196 -22.809 32.914) 40.264 6.890 ( -0.667 -2.898 5.990) 6.688 7.129 ( -12.416 -0.702 12.027) 17.301 7.576 ( 9.477 -4.736 5.572) 11.970 8.976 ( -5.028 -12.976 11.779) 18.232 9.168 ( 1.570 -8.056 4.999) 9.610 9.604 ( -1.306 7.195 -2.714) 7.800 9.997 ( -0.650 0.753 -1.838) 2.090 10.056 ( -1.559 -1.729 -2.187) 3.194 10.325 ( 3.252 -1.494 -4.279) 5.578 11.485 ( -11.895 -6.667 14.884) 20.185 12.026 ( 5.992 -11.385 3.848) 13.428 13.062 ( 3.193 -1.091 -5.757) 6.672 13.242 ( 7.627 -4.967 -1.262) 9.188 13.938 ( 13.584 -3.298 -5.213) 14.919 14.431 ( -11.639 4.600 -3.259) 12.932 14.904 ( 4.548 3.456 -3.581) 6.742 15.257 ( -4.364 19.449 -9.477) 22.071 15.566 ( -5.756 4.714 -19.843) 21.192 16.370 ( 1.460 1.308 -18.107) 18.213 17.328 ( -1.761 1.041 -0.473) 2.099 17.429 ( 3.575 2.863 3.590) 5.819 17.740 ( -1.965 -2.683 21.607) 21.862 18.647 ( -0.126 1.445 -5.902) 6.078 ======================= Grid point 131 (65/112) ======================= q-point: ( 0.21 -0.13 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -7.578 7.578 14.232) 17.816 1.620 ( -5.418 5.418 3.006) 8.231 2.020 ( -0.997 0.997 -4.748) 4.953 2.245 ( -23.689 23.689 4.907) 33.859 2.270 ( -3.810 3.810 1.675) 5.642 2.717 ( -0.732 0.732 -1.116) 1.522 2.779 ( -0.618 0.618 -2.182) 2.350 2.945 ( -1.734 1.734 -0.035) 2.452 3.230 ( 3.685 -3.685 0.297) 5.219 3.676 ( -8.586 8.586 2.136) 12.328 3.807 ( 0.043 -0.043 -2.737) 2.738 4.167 ( 1.619 -1.619 -0.329) 2.314 4.609 ( 11.596 -11.596 34.385) 38.096 6.853 ( 1.203 -1.203 6.506) 6.725 6.998 ( -6.158 6.158 13.269) 15.872 7.601 ( 6.631 -6.631 0.492) 9.391 8.767 ( 3.719 -3.719 17.793) 18.555 9.117 ( 5.759 -5.759 5.054) 9.585 9.657 ( -4.197 4.197 -4.431) 7.407 9.998 ( -0.887 0.887 -1.818) 2.209 10.030 ( 0.476 -0.476 -2.256) 2.355 10.343 ( 2.333 -2.333 -4.360) 5.467 11.272 ( -2.079 2.079 15.555) 15.830 12.008 ( 7.423 -7.423 5.430) 11.818 13.084 ( -1.991 1.991 -6.769) 7.332 13.269 ( 11.194 -11.194 1.059) 15.866 14.108 ( 6.154 -6.154 -4.595) 9.842 14.305 ( 0.311 -0.311 -5.362) 5.380 14.938 ( -4.669 4.669 -3.520) 7.483 15.445 ( -8.156 8.156 -20.745) 23.736 15.532 ( -9.319 9.319 -6.971) 14.910 16.394 ( 0.537 -0.537 -16.579) 16.596 17.319 ( -1.446 1.446 -0.711) 2.165 17.513 ( 1.463 -1.463 5.646) 6.013 17.686 ( -1.273 1.273 17.405) 17.498 18.660 ( -0.801 0.801 -5.768) 5.878 ======================= Grid point 136 (66/112) ======================= q-point: ( 0.37 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -0.000 10.134 1.197) 10.204 1.650 ( -0.000 9.750 3.025) 10.208 2.003 ( 0.000 -2.556 -2.661) 3.690 2.180 ( -0.000 7.586 -2.101) 7.872 2.595 ( 0.000 1.421 -3.029) 3.346 2.615 ( -0.000 2.118 0.963) 2.327 2.683 ( -0.000 4.472 0.454) 4.495 2.997 ( -0.000 9.586 2.225) 9.841 3.307 ( 0.000 -4.922 -0.141) 4.924 3.447 ( -0.000 10.968 4.958) 12.036 3.776 ( -0.000 10.786 3.835) 11.448 3.960 ( -0.000 8.151 1.979) 8.388 6.833 ( -0.000 -14.429 59.294) 61.024 7.364 ( -0.000 -2.135 16.416) 16.554 7.815 ( -0.000 -5.180 12.252) 13.302 8.019 ( -0.000 -6.737 20.940) 21.997 9.467 ( -0.000 -0.485 5.181) 5.204 9.520 ( -0.000 -1.536 3.050) 3.415 9.647 ( -0.000 2.985 0.673) 3.060 9.973 ( 0.000 -0.066 -10.594) 10.594 10.052 ( -0.000 -1.657 13.095) 13.200 10.159 ( -0.000 -2.236 14.582) 14.752 12.198 ( 0.000 -17.465 8.917) 19.610 12.404 ( -0.000 7.300 12.460) 14.441 12.608 ( 0.000 1.735 -12.281) 12.403 13.181 ( -0.000 -1.900 5.920) 6.217 13.417 ( 0.000 -9.575 -10.595) 14.281 14.077 ( 0.000 -16.726 -16.150) 23.250 14.608 ( -0.000 14.650 -4.981) 15.474 15.020 ( -0.000 11.314 -4.896) 12.328 15.053 ( -0.000 11.660 -6.253) 13.231 15.667 ( 0.000 2.607 -13.539) 13.787 17.253 ( 0.000 4.563 -7.496) 8.775 17.294 ( 0.000 4.699 -7.338) 8.714 18.198 ( 0.000 2.659 -12.981) 13.251 18.332 ( 0.000 -4.992 2.314) 5.502 ======================= Grid point 137 (67/112) ======================= q-point: ( 0.37 -0.13 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 1.681 8.809 -0.990) 9.022 1.775 ( 0.401 2.940 -0.449) 3.001 1.893 ( -5.488 -2.066 -1.542) 6.064 2.287 ( -0.831 3.598 -4.052) 5.482 2.640 ( 0.445 1.848 -3.630) 4.097 2.666 ( -1.473 5.516 0.370) 5.721 2.738 ( -2.989 2.099 0.787) 3.737 3.041 ( -9.857 11.252 1.892) 15.078 3.208 ( 0.759 -5.903 0.205) 5.955 3.707 ( 1.883 8.180 0.389) 8.403 3.926 ( -3.951 7.091 2.718) 8.561 4.112 ( 2.983 4.078 -0.299) 5.062 6.695 ( 6.266 -7.448 63.982) 64.718 7.331 ( 0.593 -1.630 17.038) 17.126 7.722 ( 1.533 -5.179 11.234) 12.465 7.833 ( -2.398 -7.130 18.934) 20.374 9.450 ( -0.515 -0.055 6.953) 6.972 9.509 ( 1.556 -1.645 7.550) 7.882 9.682 ( -1.347 2.182 1.672) 3.061 9.977 ( -0.031 0.033 -8.338) 8.338 10.018 ( -0.165 -0.776 7.347) 7.389 10.119 ( 1.751 -3.494 18.418) 18.828 11.915 ( -0.171 -9.250 11.935) 15.101 12.514 ( -1.850 5.643 14.136) 15.333 12.656 ( -1.183 2.983 -13.382) 13.762 13.209 ( 6.732 -6.127 5.446) 10.607 13.424 ( 13.953 -2.468 -14.006) 19.924 13.736 ( -1.356 -17.829 -15.949) 23.959 14.805 ( -3.231 9.279 -6.300) 11.672 15.092 ( -10.475 10.428 -6.014) 15.957 15.222 ( -3.076 8.138 -10.533) 13.661 15.725 ( 2.610 -0.264 -13.084) 13.344 17.253 ( -5.041 4.617 -7.155) 9.896 17.454 ( 4.709 1.786 -6.863) 8.513 18.218 ( -0.218 -1.318 1.530) 2.031 18.263 ( -1.546 0.877 -10.523) 10.672 ======================= Grid point 142 (68/112) ======================= q-point: ( 0.53 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -0.000 5.132 -1.910) 5.476 1.687 ( 0.000 0.037 -2.030) 2.030 1.938 ( 0.000 -1.645 -0.509) 1.722 2.061 ( 0.000 1.754 -5.155) 5.445 2.535 ( -0.000 1.710 -0.481) 1.776 2.645 ( 0.000 1.228 -1.554) 1.981 2.748 ( 0.000 -1.117 -0.922) 1.448 3.183 ( -0.000 5.688 -0.553) 5.715 3.222 ( 0.000 -2.536 1.316) 2.857 3.772 ( -0.000 7.108 0.931) 7.168 3.986 ( -0.000 3.067 -0.525) 3.112 4.077 ( -0.000 0.773 -0.430) 0.884 8.130 ( -0.000 -0.938 21.383) 21.404 8.172 ( -0.000 -3.422 16.778) 17.123 8.223 ( -0.000 -4.657 13.184) 13.982 9.265 ( 0.000 1.674 -10.441) 10.575 9.274 ( 0.000 1.278 -9.452) 9.538 9.385 ( 0.000 0.180 -17.417) 17.418 9.434 ( -0.000 -9.910 45.917) 46.975 10.140 ( -0.000 5.857 17.249) 18.216 10.847 ( -0.000 1.169 14.717) 14.763 10.909 ( -0.000 -0.815 14.391) 14.414 12.063 ( 0.000 2.538 -12.843) 13.091 12.397 ( -0.000 -4.806 9.645) 10.776 12.542 ( 0.000 3.914 -10.853) 11.538 12.999 ( 0.000 -9.775 3.375) 10.341 13.176 ( 0.000 -17.477 -1.118) 17.513 13.831 ( -0.000 10.008 9.688) 13.929 14.586 ( 0.000 4.582 -5.389) 7.074 14.963 ( -0.000 5.229 -4.981) 7.221 15.025 ( 0.000 0.787 -1.301) 1.521 15.334 ( 0.000 -1.893 -3.880) 4.317 16.880 ( 0.000 3.689 -13.338) 13.838 16.905 ( 0.000 2.895 -13.487) 13.794 17.801 ( 0.000 4.019 -5.053) 6.457 18.089 ( 0.000 -2.997 -10.088) 10.523 ======================= Grid point 143 (69/112) ======================= q-point: ( 0.53 -0.14 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -2.094 2.094 -3.243) 4.392 1.674 ( -0.116 0.116 -1.699) 1.707 1.897 ( -0.469 0.469 -0.763) 1.011 2.095 ( 0.220 -0.220 -5.448) 5.457 2.562 ( -0.225 0.225 -0.083) 0.329 2.687 ( 0.628 -0.628 -3.143) 3.266 2.696 ( 0.377 -0.377 -1.897) 1.971 3.199 ( 1.099 -1.099 2.675) 3.094 3.232 ( -4.900 4.900 -1.323) 7.055 3.827 ( -6.037 6.037 -1.189) 8.620 4.030 ( -0.300 0.300 -1.399) 1.462 4.088 ( 1.582 -1.582 -1.731) 2.829 8.121 ( 0.514 -0.514 21.488) 21.500 8.157 ( 1.779 -1.779 14.255) 14.475 8.166 ( 2.552 -2.552 15.835) 16.241 9.279 ( -0.541 0.541 -4.905) 4.964 9.288 ( -0.662 0.662 -10.254) 10.296 9.323 ( 3.596 -3.596 39.825) 40.149 9.392 ( 0.760 -0.760 -13.188) 13.232 10.210 ( -2.920 2.920 18.207) 18.670 10.800 ( -3.743 3.743 14.928) 15.838 10.949 ( 3.438 -3.438 13.690) 14.528 12.092 ( -2.257 2.257 -13.581) 13.951 12.319 ( -2.209 2.209 9.849) 10.332 12.633 ( 1.757 -1.757 -8.347) 8.709 12.937 ( 8.724 -8.724 -1.493) 12.428 12.948 ( 7.896 -7.896 3.722) 11.771 13.936 ( -6.219 6.219 13.559) 16.162 14.629 ( -2.146 2.146 -7.741) 8.315 14.971 ( -4.336 4.336 -6.377) 8.848 15.075 ( 0.122 -0.122 -0.813) 0.832 15.308 ( 2.565 -2.565 -5.776) 6.820 16.876 ( -3.952 3.952 -13.856) 14.941 16.978 ( 1.046 -1.046 -14.461) 14.537 17.842 ( -2.093 2.093 -5.048) 5.851 18.056 ( 1.186 -1.186 -9.885) 10.027 ======================= Grid point 147 (70/112) ======================= q-point: ( 0.53 -0.14 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 274 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -2.136 2.136 -0.447) 3.054 1.722 ( -3.505 3.505 1.399) 5.150 1.801 ( 1.931 -1.931 -1.443) 3.088 2.126 ( -1.781 1.781 -3.171) 4.049 2.552 ( -2.184 2.184 1.984) 3.671 2.628 ( -0.101 0.101 0.752) 0.766 2.726 ( -3.391 3.391 -2.005) 5.197 2.848 ( 4.300 -4.300 9.465) 11.251 3.316 ( 1.691 -1.691 -1.593) 2.873 3.530 ( 0.581 -0.581 0.019) 0.821 3.960 ( -1.138 1.138 5.113) 5.360 4.033 ( -5.984 5.984 1.875) 8.668 8.159 ( 0.346 -0.346 20.906) 20.912 8.319 ( 1.974 -1.974 12.201) 12.516 8.385 ( 0.779 -0.779 13.149) 13.195 9.219 ( -0.680 0.680 -10.388) 10.432 9.230 ( -0.876 0.876 -11.702) 11.767 9.376 ( 0.037 -0.037 -16.400) 16.400 9.719 ( 5.525 -5.525 47.359) 47.999 10.000 ( -2.732 2.732 15.181) 15.665 10.617 ( 3.794 -3.794 14.436) 15.401 11.071 ( -3.823 3.823 12.949) 14.033 12.015 ( 0.814 -0.814 -14.701) 14.746 12.253 ( 3.689 -3.689 -5.284) 7.425 12.837 ( 0.031 -0.031 9.134) 9.135 13.161 ( -2.927 2.927 -8.884) 9.801 13.554 ( -3.091 3.091 2.079) 4.841 13.884 ( 10.607 -10.607 -11.227) 18.737 14.368 ( -1.041 1.041 5.970) 6.149 14.614 ( -3.118 3.118 -0.689) 4.464 15.067 ( 1.237 -1.237 9.107) 9.274 15.361 ( -3.834 3.834 -5.958) 8.056 16.654 ( 0.361 -0.361 -10.866) 10.878 16.948 ( -4.699 4.699 -12.397) 14.066 17.673 ( -1.633 1.633 -5.159) 5.652 18.165 ( 2.224 -2.224 -10.109) 10.587 ======================= Grid point 149 (71/112) ======================= q-point: (-0.31 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -0.000 4.854 -2.368) 5.401 1.633 ( 0.000 -0.984 -1.303) 1.633 1.884 ( 0.000 -1.500 0.356) 1.542 1.922 ( 0.000 -3.011 -1.647) 3.432 2.522 ( 0.000 0.645 -2.434) 2.518 2.571 ( 0.000 -4.387 -3.040) 5.338 2.645 ( -0.000 0.575 2.491) 2.556 3.128 ( 0.000 1.422 -5.419) 5.603 3.324 ( -0.000 0.881 3.197) 3.317 3.756 ( 0.000 4.027 -6.020) 7.243 3.848 ( 0.000 -2.423 -5.982) 6.455 3.951 ( 0.000 -4.681 -4.131) 6.243 8.581 ( 0.000 0.979 -7.503) 7.567 8.587 ( 0.000 0.885 -0.981) 1.322 8.605 ( 0.000 -0.127 -14.052) 14.052 8.979 ( -0.000 -0.341 20.040) 20.043 8.995 ( -0.000 -0.197 3.564) 3.569 8.999 ( -0.000 -0.554 3.420) 3.465 10.158 ( 0.000 -1.353 -6.313) 6.456 10.690 ( 0.000 9.322 -14.486) 17.226 10.989 ( 0.000 -0.718 -5.674) 5.719 11.048 ( 0.000 -4.472 -6.294) 7.721 11.877 ( 0.000 -0.225 -4.398) 4.403 12.097 ( -0.000 -1.654 11.589) 11.707 12.878 ( -0.000 9.912 9.430) 13.681 13.123 ( 0.000 -7.777 4.583) 9.027 13.178 ( -0.000 -4.898 8.883) 10.144 14.282 ( 0.000 -4.916 -8.838) 10.113 14.350 ( -0.000 17.819 3.971) 18.256 14.839 ( 0.000 1.403 -5.985) 6.148 14.965 ( 0.000 -6.038 -0.570) 6.065 15.181 ( 0.000 -3.922 -1.964) 4.387 16.578 ( -0.000 -0.563 0.930) 1.087 16.586 ( 0.000 -1.306 0.932) 1.605 17.611 ( 0.000 -1.889 -6.720) 6.980 18.031 ( -0.000 1.901 10.865) 11.030 ======================= Grid point 152 (72/112) ======================= q-point: (-0.31 -0.15 0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 0.620 1.411 0.644) 1.670 1.731 ( -0.962 2.402 -0.012) 2.587 1.788 ( 0.967 -2.467 0.886) 2.793 2.088 ( -0.018 1.431 1.465) 2.048 2.617 ( -0.665 2.314 -1.934) 3.089 2.650 ( 1.510 2.361 0.008) 2.802 2.725 ( -0.098 0.084 1.473) 1.479 2.983 ( 1.402 -4.545 -3.957) 6.187 3.269 ( -0.707 -0.069 0.310) 0.775 3.490 ( 0.626 -6.200 1.776) 6.480 4.061 ( 0.063 1.644 -2.920) 3.351 4.108 ( 1.343 2.157 1.155) 2.791 8.501 ( -1.318 0.054 -8.026) 8.133 8.578 ( -0.227 0.631 -18.421) 18.433 8.597 ( -1.542 1.029 -11.160) 11.313 9.000 ( 0.223 0.094 19.691) 19.693 9.032 ( 0.790 0.066 7.848) 7.887 9.040 ( 0.901 0.009 7.757) 7.809 10.310 ( -4.191 3.303 -16.068) 16.930 10.371 ( 2.511 -0.063 -12.882) 13.125 10.808 ( 0.672 -6.834 -6.374) 9.369 11.255 ( -0.182 3.106 -2.876) 4.237 11.838 ( 0.226 -1.937 -1.053) 2.216 12.035 ( 0.592 -4.104 12.839) 13.492 12.910 ( -4.393 12.075 -3.943) 13.441 13.188 ( 6.833 0.987 3.215) 7.616 13.499 ( -9.690 -10.448 1.302) 14.309 13.660 ( 2.607 3.634 -1.564) 4.738 14.496 ( 0.167 -0.070 -3.546) 3.551 14.629 ( 2.570 -2.788 2.910) 4.780 15.194 ( -0.649 2.272 -4.778) 5.330 15.304 ( 0.609 0.416 3.705) 3.778 16.487 ( 0.771 -2.286 5.220) 5.751 16.800 ( 0.854 2.899 6.156) 6.857 17.718 ( 2.119 -0.458 -5.690) 6.089 17.902 ( -1.865 -0.564 11.212) 11.380 ======================= Grid point 155 (73/112) ======================= q-point: (-0.15 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 0.000 -0.000 -12.004) 12.004 1.364 ( 0.000 -0.000 -12.004) 12.004 1.763 ( 0.000 -0.000 -3.592) 3.592 1.970 ( -0.000 0.000 4.295) 4.295 2.517 ( -0.000 0.000 2.097) 2.097 2.517 ( -0.000 0.000 2.097) 2.097 2.765 ( -0.000 0.000 2.342) 2.342 2.811 ( 0.000 -0.000 -10.221) 10.221 3.452 ( -0.000 0.000 2.367) 2.367 3.500 ( 0.000 -0.000 -8.349) 8.349 3.500 ( 0.000 -0.000 -8.349) 8.349 3.618 ( 0.000 -0.000 -7.845) 7.845 7.782 ( 0.000 -0.000 -18.589) 18.589 8.217 ( 0.000 -0.000 -12.496) 12.496 8.217 ( 0.000 -0.000 -12.496) 12.496 8.871 ( 0.000 -0.000 -61.699) 61.699 9.412 ( -0.000 0.000 10.427) 10.427 9.412 ( -0.000 0.000 10.427) 10.427 9.632 ( 0.000 -0.000 -12.831) 12.831 9.709 ( -0.000 0.000 15.388) 15.388 10.460 ( 0.000 -0.000 -18.821) 18.821 10.460 ( 0.000 -0.000 -18.821) 18.821 12.281 ( 0.000 -0.000 -3.706) 3.706 12.486 ( -0.000 0.000 18.002) 18.002 13.170 ( -0.000 0.000 3.018) 3.018 13.170 ( -0.000 0.000 3.018) 3.018 13.699 ( -0.000 0.000 14.644) 14.644 13.812 ( 0.000 -0.000 -9.314) 9.314 14.543 ( 0.000 -0.000 -6.327) 6.327 14.543 ( 0.000 -0.000 -6.327) 6.327 14.831 ( 0.000 -0.000 -13.894) 13.894 15.130 ( -0.000 0.000 18.631) 18.631 16.899 ( -0.000 0.000 11.332) 11.332 16.899 ( -0.000 0.000 11.332) 11.332 17.779 ( -0.000 0.000 14.349) 14.349 18.471 ( -0.000 0.000 7.437) 7.437 ======================= Grid point 157 (74/112) ======================= q-point: (-0.15 -0.15 0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 4.480 4.480 0.821) 6.388 1.647 ( 5.905 5.905 -6.213) 10.408 1.843 ( -2.389 -2.389 2.472) 4.186 2.189 ( 2.431 2.431 2.669) 4.352 2.530 ( -0.037 -0.037 -1.093) 1.094 2.618 ( 0.360 0.360 -0.092) 0.517 2.641 ( -4.711 -4.711 -9.436) 11.551 2.762 ( 3.739 3.739 1.438) 5.479 3.348 ( -2.270 -2.270 1.481) 3.535 3.518 ( 3.845 3.845 -1.328) 5.597 3.850 ( 0.781 0.781 -5.498) 5.608 3.987 ( 8.304 8.304 -2.514) 12.010 7.746 ( -0.566 -0.566 -19.451) 19.468 8.017 ( -0.819 -0.819 -21.603) 21.634 8.089 ( -1.508 -1.508 -15.954) 16.096 8.619 ( -8.192 -8.192 -51.317) 52.609 9.405 ( -0.181 -0.181 7.050) 7.055 9.457 ( 0.757 0.757 9.960) 10.017 9.715 ( 2.125 2.125 -11.771) 12.149 9.727 ( 0.528 0.528 15.244) 15.262 10.283 ( -3.636 -3.636 -17.084) 17.841 10.702 ( 3.232 3.232 -22.753) 23.208 12.278 ( -6.476 -6.476 -2.066) 9.388 12.332 ( -0.652 -0.652 15.335) 15.362 12.616 ( 0.623 0.623 -13.084) 13.113 13.352 ( 2.459 2.459 9.795) 10.394 13.587 ( 1.933 1.933 6.742) 7.275 14.164 ( -8.281 -8.281 15.806) 19.671 14.260 ( 0.773 0.773 -4.311) 4.448 14.598 ( 5.275 5.275 -4.409) 8.665 14.892 ( -0.477 -0.477 -5.108) 5.152 15.512 ( 4.107 4.107 8.997) 10.709 16.890 ( -0.037 -0.037 11.491) 11.491 17.211 ( 5.703 5.703 12.361) 14.760 17.873 ( 1.499 1.499 13.472) 13.638 18.319 ( -3.044 -3.044 4.483) 6.215 ======================= Grid point 158 (75/112) ======================= q-point: (-0.15 -0.15 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 0.000 0.000 4.838) 4.838 1.761 ( 0.000 0.000 0.252) 0.252 1.786 ( 0.000 0.000 -2.231) 2.231 2.224 ( 0.000 0.000 3.078) 3.078 2.455 ( 0.000 0.000 -15.195) 15.195 2.602 ( -0.000 -0.000 0.730) 0.730 2.618 ( -0.000 -0.000 0.081) 0.081 2.860 ( 0.000 0.000 2.249) 2.249 3.293 ( 0.000 0.000 0.829) 0.829 3.608 ( 0.000 0.000 4.120) 4.120 3.849 ( -0.000 -0.000 -6.988) 6.988 4.158 ( 0.000 0.000 -0.096) 0.096 7.735 ( 0.000 0.000 -19.679) 19.679 8.050 ( 0.000 0.000 -10.628) 10.628 8.063 ( 0.000 0.000 -16.924) 16.924 8.395 ( 0.000 0.000 -63.465) 63.465 9.401 ( -0.000 -0.000 6.149) 6.149 9.472 ( -0.000 -0.000 9.888) 9.888 9.739 ( 0.000 0.000 15.406) 15.406 9.771 ( 0.000 0.000 -12.874) 12.874 10.197 ( 0.000 0.000 -16.007) 16.007 10.764 ( 0.000 0.000 -24.896) 24.896 12.131 ( 0.000 0.000 -5.268) 5.268 12.328 ( 0.000 0.000 16.144) 16.144 12.653 ( 0.000 0.000 -11.745) 11.745 13.414 ( 0.000 0.000 12.974) 12.974 13.660 ( -0.000 -0.000 3.421) 3.421 13.956 ( 0.000 0.000 18.310) 18.310 14.259 ( 0.000 0.000 -3.508) 3.508 14.742 ( 0.000 0.000 -15.284) 15.284 14.852 ( 0.000 0.000 7.522) 7.522 15.586 ( 0.000 0.000 8.991) 8.991 16.890 ( 0.000 0.000 11.591) 11.591 17.333 ( 0.000 0.000 13.281) 13.281 17.903 ( -0.000 -0.000 13.204) 13.204 18.251 ( 0.000 0.000 3.151) 3.151 ======================= Grid point 168 (76/112) ======================= q-point: ( 0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( -0.000 18.418 -0.000) 18.418 1.083 ( -0.000 25.680 -0.000) 25.680 1.616 ( -0.000 37.068 -0.000) 37.068 2.211 ( 0.000 -2.385 0.000) 2.385 2.448 ( -0.000 12.077 -0.000) 12.077 2.659 ( -0.000 1.693 -0.000) 1.693 2.694 ( -0.000 0.613 -0.000) 0.613 2.697 ( -0.000 3.170 -0.000) 3.170 3.002 ( -0.000 5.379 -0.000) 5.379 3.396 ( -0.000 11.296 -0.000) 11.296 3.438 ( 0.000 -3.622 0.000) 3.622 3.664 ( -0.000 13.311 -0.000) 13.311 4.882 ( 0.000 -24.797 0.000) 24.797 6.894 ( 0.000 -2.629 0.000) 2.629 7.306 ( 0.000 -2.054 0.000) 2.054 7.308 ( 0.000 -2.001 0.000) 2.001 9.118 ( 0.000 -7.642 0.000) 7.642 9.350 ( 0.000 -11.500 0.000) 11.500 9.466 ( -0.000 9.777 -0.000) 9.777 10.011 ( -0.000 0.735 -0.000) 0.735 10.180 ( 0.000 -4.663 0.000) 4.663 10.345 ( 0.000 -1.256 0.000) 1.256 11.520 ( 0.000 -0.801 0.000) 0.801 12.359 ( 0.000 -27.200 0.000) 27.200 13.122 ( 0.000 -8.907 0.000) 8.907 13.253 ( -0.000 0.433 -0.000) 0.433 13.919 ( 0.000 -6.469 0.000) 6.469 14.465 ( -0.000 22.809 -0.000) 22.809 14.588 ( -0.000 10.520 -0.000) 10.520 15.021 ( -0.000 19.198 -0.000) 19.198 16.037 ( 0.000 -13.079 0.000) 13.079 16.667 ( 0.000 -2.034 0.000) 2.034 17.183 ( -0.000 10.723 -0.000) 10.723 17.377 ( -0.000 0.104 -0.000) 0.104 17.381 ( -0.000 0.219 -0.000) 0.219 18.683 ( -0.000 1.238 -0.000) 1.238 ======================= Grid point 169 (77/112) ======================= q-point: ( 0.17 -0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -0.177 18.014 -0.000) 18.015 1.408 ( -5.773 20.899 -0.000) 21.682 2.140 ( -2.608 -2.399 -0.000) 3.543 2.156 ( -0.458 12.993 -0.000) 13.001 2.376 ( -22.215 9.953 -0.000) 24.342 2.701 ( 0.670 1.806 -0.000) 1.926 2.764 ( 0.821 2.743 -0.000) 2.864 2.779 ( 2.883 7.738 -0.000) 8.257 3.331 ( -1.378 -5.543 0.000) 5.712 3.442 ( 8.836 17.995 -0.000) 20.048 3.664 ( 5.255 9.337 -0.000) 10.714 3.972 ( 7.358 14.204 -0.000) 15.997 4.398 ( 3.412 -26.936 0.000) 27.152 6.830 ( -0.681 -3.187 0.000) 3.259 7.000 ( -13.784 -0.665 -0.000) 13.800 7.517 ( 12.156 -3.152 0.000) 12.558 8.854 ( -7.785 -15.413 0.000) 17.267 9.117 ( 2.349 -9.063 0.000) 9.362 9.642 ( -0.862 8.612 -0.000) 8.655 10.017 ( -0.757 0.856 -0.000) 1.143 10.080 ( -1.613 -1.816 0.000) 2.429 10.368 ( 3.640 -1.791 0.000) 4.056 11.320 ( -12.156 -7.361 -0.000) 14.211 11.988 ( 6.472 -13.429 0.000) 14.907 13.113 ( 6.901 -3.361 0.000) 7.676 13.266 ( 2.644 -2.954 0.000) 3.965 13.990 ( 12.796 -2.166 0.000) 12.978 14.462 ( -13.092 7.011 -0.000) 14.851 14.939 ( 4.102 3.918 0.000) 5.672 15.350 ( -1.696 20.790 -0.000) 20.859 15.825 ( -6.067 -2.978 -0.000) 6.758 16.629 ( 0.076 -1.901 0.000) 1.902 17.346 ( -1.773 0.164 -0.000) 1.781 17.371 ( 1.350 6.873 -0.000) 7.005 17.417 ( 1.758 0.030 0.000) 1.758 18.708 ( -0.056 1.233 -0.000) 1.234 ======================= Grid point 170 (78/112) ======================= q-point: ( 0.17 -0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -10.082 10.082 -0.000) 14.258 1.588 ( -5.977 5.977 -0.000) 8.453 2.075 ( -0.397 0.397 -0.000) 0.562 2.193 ( -25.141 25.141 -0.000) 35.555 2.245 ( -4.750 4.750 -0.000) 6.717 2.729 ( -0.693 0.693 -0.000) 0.979 2.802 ( -0.639 0.639 -0.000) 0.904 2.945 ( -1.605 1.605 -0.000) 2.270 3.227 ( 3.695 -3.695 0.000) 5.225 3.654 ( -8.898 8.898 -0.000) 12.584 3.852 ( -1.809 1.809 -0.000) 2.558 4.159 ( 17.040 -17.040 0.000) 24.098 4.253 ( -0.459 0.459 -0.000) 0.649 6.786 ( 1.240 -1.240 0.000) 1.754 6.856 ( -6.826 6.826 -0.000) 9.653 7.603 ( 7.503 -7.503 0.000) 10.611 8.574 ( 3.034 -3.034 0.000) 4.290 9.066 ( 6.716 -6.716 0.000) 9.498 9.717 ( -4.680 4.680 -0.000) 6.619 10.018 ( -0.987 0.987 -0.000) 1.396 10.054 ( 0.513 -0.513 0.000) 0.726 10.387 ( 2.604 -2.604 0.000) 3.683 11.095 ( -2.205 2.205 -0.000) 3.118 11.955 ( 9.118 -9.118 0.000) 12.894 13.156 ( -2.222 2.222 -0.000) 3.142 13.259 ( 10.706 -10.706 0.000) 15.141 14.155 ( 5.019 -5.019 0.000) 7.098 14.354 ( -2.346 2.346 -0.000) 3.317 14.975 ( -3.907 3.907 -0.000) 5.525 15.607 ( -10.275 10.275 -0.000) 14.531 15.691 ( -4.299 4.299 -0.000) 6.079 16.611 ( 0.976 -0.976 0.000) 1.380 17.329 ( -0.958 0.958 -0.000) 1.354 17.435 ( 0.878 -0.878 0.000) 1.241 17.451 ( -2.113 2.113 -0.000) 2.988 18.719 ( -0.657 0.657 -0.000) 0.928 ======================= Grid point 175 (79/112) ======================= q-point: ( 0.33 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -0.000 13.744 6.135) 15.052 1.574 ( -0.000 13.399 3.987) 13.980 2.069 ( 0.000 -2.754 -3.594) 4.528 2.194 ( -0.000 13.388 0.596) 13.401 2.583 ( -0.000 2.336 1.361) 2.703 2.668 ( 0.000 3.255 -3.259) 4.606 2.682 ( -0.000 3.266 -0.286) 3.279 2.952 ( -0.000 11.530 2.268) 11.751 3.293 ( -0.000 3.049 1.740) 3.510 3.372 ( -0.000 5.836 2.069) 6.192 3.701 ( -0.000 12.627 3.326) 13.058 3.927 ( -0.000 10.329 1.245) 10.404 5.626 ( -0.000 -20.083 55.642) 59.155 7.076 ( -0.000 -2.842 11.670) 12.011 7.568 ( -0.000 -4.086 11.854) 12.539 7.656 ( -0.000 -4.814 15.954) 16.664 9.289 ( -0.000 -6.984 15.304) 16.822 9.318 ( -0.000 -7.148 9.020) 11.509 9.603 ( -0.000 4.862 1.838) 5.198 9.958 ( 0.000 0.008 -1.478) 1.478 10.036 ( 0.000 -2.578 -0.665) 2.662 10.169 ( 0.000 -0.598 -7.604) 7.627 12.035 ( -0.000 3.193 21.045) 21.286 12.036 ( 0.000 -20.603 6.776) 21.689 12.858 ( 0.000 1.434 -10.837) 10.932 13.131 ( 0.000 -0.875 -0.914) 1.265 13.632 ( 0.000 -5.894 -9.740) 11.384 14.395 ( 0.000 -13.045 -13.607) 18.850 14.711 ( -0.000 15.872 -4.834) 16.591 15.191 ( -0.000 14.820 -7.057) 16.415 15.216 ( 0.000 13.802 -15.204) 20.534 15.983 ( 0.000 2.085 -17.281) 17.406 17.357 ( -0.000 3.146 -2.833) 4.234 17.382 ( -0.000 3.717 -1.222) 3.912 18.141 ( -0.000 -6.132 13.685) 14.996 18.476 ( 0.000 2.194 -10.838) 11.058 ======================= Grid point 176 (80/112) ======================= q-point: ( 0.33 -0.17 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -1.193 12.220 3.865) 12.872 1.738 ( -0.003 4.020 3.224) 5.153 1.969 ( -4.721 -1.306 -4.896) 6.926 2.347 ( -3.304 6.315 -1.691) 7.325 2.647 ( -4.795 9.235 0.988) 10.453 2.722 ( -0.034 1.917 -3.663) 4.135 2.725 ( -3.142 2.147 0.272) 3.815 3.008 ( -8.608 11.898 1.420) 14.753 3.205 ( 0.336 -6.879 0.127) 6.888 3.702 ( 5.096 8.306 -0.085) 9.746 3.873 ( -5.536 9.088 2.415) 10.912 4.119 ( 3.083 5.027 -0.381) 5.909 5.402 ( 7.473 -10.972 59.792) 61.248 7.030 ( 0.640 -2.232 12.395) 12.611 7.434 ( -4.286 -0.443 16.325) 16.884 7.576 ( 2.683 -8.301 7.541) 11.531 9.162 ( 1.633 -6.703 22.514) 23.547 9.211 ( 3.083 -5.911 13.291) 14.869 9.655 ( -2.306 3.269 -0.625) 4.050 9.958 ( 0.269 0.055 -1.956) 1.975 9.983 ( -0.580 -1.552 -1.293) 2.102 10.181 ( 1.533 -0.720 -7.771) 7.954 11.664 ( -3.083 -8.909 13.165) 16.192 12.126 ( 4.206 -1.388 19.980) 20.465 12.920 ( -0.543 3.905 -11.443) 12.103 13.154 ( 3.224 -2.997 0.113) 4.403 13.713 ( 14.319 -1.512 -12.802) 19.267 14.077 ( -1.245 -16.997 -15.707) 23.177 14.926 ( -2.734 8.488 -5.289) 10.368 15.285 ( -11.641 13.397 -13.030) 22.018 15.451 ( -2.966 9.625 -11.718) 15.452 16.029 ( 1.545 0.273 -16.625) 16.699 17.346 ( -4.055 3.424 -2.087) 5.703 17.522 ( 4.602 1.356 0.199) 4.802 18.041 ( -1.428 -2.412 13.170) 13.465 18.507 ( -0.753 1.732 -10.523) 10.691 ======================= Grid point 181 (81/112) ======================= q-point: ( 0.49 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -0.000 7.006 -2.704) 7.510 1.739 ( 0.000 1.492 -2.694) 3.079 1.938 ( 0.000 -2.258 0.344) 2.284 2.178 ( 0.000 3.339 -6.029) 6.892 2.566 ( 0.000 1.827 -2.650) 3.218 2.669 ( -0.000 2.856 -0.815) 2.970 2.755 ( -0.000 1.189 0.108) 1.194 3.186 ( -0.000 7.901 0.208) 7.904 3.203 ( 0.000 -4.918 0.645) 4.960 3.735 ( -0.000 9.879 2.593) 10.214 3.983 ( -0.000 6.025 0.709) 6.066 4.081 ( -0.000 2.757 -0.000) 2.757 7.706 ( -0.000 -1.326 20.077) 20.121 7.708 ( -0.000 -2.322 34.812) 34.890 7.959 ( -0.000 -5.769 12.697) 13.947 8.430 ( -0.000 -13.360 43.572) 45.574 9.453 ( 0.000 0.859 -7.397) 7.447 9.457 ( 0.000 0.755 -6.638) 6.681 9.712 ( 0.000 0.115 -14.566) 14.566 9.831 ( -0.000 4.381 12.195) 12.958 10.447 ( -0.000 0.135 23.243) 23.244 10.525 ( -0.000 -1.976 22.324) 22.412 12.171 ( -0.000 -9.339 12.341) 15.476 12.352 ( 0.000 3.431 -14.538) 14.937 12.672 ( -0.000 5.853 -2.178) 6.245 13.040 ( 0.000 -9.492 -7.536) 12.120 13.265 ( 0.000 -11.253 -3.045) 11.658 13.607 ( -0.000 -3.125 7.394) 8.027 14.705 ( -0.000 8.175 -6.206) 10.263 15.077 ( -0.000 4.969 -4.258) 6.544 15.082 ( 0.000 6.454 -6.793) 9.370 15.464 ( 0.000 -0.395 -8.960) 8.968 17.145 ( 0.000 4.594 -11.866) 12.724 17.174 ( 0.000 3.660 -12.109) 12.650 17.989 ( 0.000 3.656 -12.349) 12.879 18.238 ( 0.000 -3.450 -4.102) 5.360 ======================= Grid point 182 (82/112) ======================= q-point: ( 0.49 -0.18 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -1.803 1.803 -4.833) 5.464 1.725 ( -1.367 1.367 -3.109) 3.661 1.892 ( 0.052 -0.052 1.235) 1.237 2.220 ( -1.410 1.410 -6.618) 6.912 2.591 ( -0.466 0.466 -2.659) 2.740 2.725 ( -1.041 1.041 -0.955) 1.755 2.740 ( -0.141 0.141 -2.114) 2.123 3.150 ( 2.405 -2.405 2.127) 4.011 3.246 ( -7.050 7.050 -0.174) 9.971 3.835 ( -5.442 5.442 0.353) 7.705 4.045 ( -2.582 2.582 -0.186) 3.657 4.118 ( 0.870 -0.870 -1.319) 1.803 7.693 ( 0.692 -0.692 20.305) 20.329 7.742 ( 0.469 -0.469 33.633) 33.640 7.876 ( 2.470 -2.470 13.136) 13.592 8.259 ( 7.666 -7.666 45.812) 47.078 9.453 ( -0.923 0.923 -6.172) 6.308 9.473 ( 0.032 -0.032 -7.146) 7.146 9.715 ( 0.099 -0.099 -14.627) 14.628 9.884 ( -2.362 2.362 13.143) 13.561 10.400 ( -2.843 2.843 22.802) 23.154 10.542 ( 3.871 -3.871 25.058) 25.649 12.066 ( 2.702 -2.702 13.840) 14.358 12.402 ( -2.920 2.920 -15.893) 16.421 12.727 ( -1.987 1.987 -1.612) 3.239 13.026 ( 6.278 -6.278 -8.271) 12.134 13.070 ( 10.141 -10.141 -11.453) 18.353 13.597 ( -1.445 1.445 17.585) 17.703 14.785 ( -3.754 3.754 -7.524) 9.209 15.125 ( -4.195 4.195 -4.402) 7.388 15.127 ( -4.002 4.002 -8.979) 10.613 15.466 ( 2.265 -2.265 -9.826) 10.335 17.146 ( -4.562 4.562 -11.953) 13.583 17.261 ( 0.991 -0.991 -12.448) 12.527 18.026 ( -1.845 1.845 -12.127) 12.405 18.199 ( 1.152 -1.152 -3.659) 4.005 ======================= Grid point 188 (83/112) ======================= q-point: (-0.35 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -0.000 4.350 -1.554) 4.619 1.651 ( 0.000 -0.462 -0.943) 1.050 1.890 ( 0.000 -1.532 -0.777) 1.718 1.980 ( 0.000 -0.401 -4.250) 4.269 2.566 ( -0.000 1.869 -0.606) 1.965 2.616 ( 0.000 -0.482 -0.893) 1.015 2.639 ( 0.000 -3.945 -3.476) 5.258 3.220 ( 0.000 2.890 -3.674) 4.674 3.256 ( -0.000 0.082 3.363) 3.364 3.853 ( -0.000 5.105 -3.463) 6.169 3.953 ( 0.000 -0.636 -4.279) 4.326 4.021 ( 0.000 -3.236 -2.777) 4.264 8.430 ( -0.000 -1.360 13.166) 13.236 8.434 ( -0.000 -1.762 12.826) 12.946 8.555 ( -0.000 -0.435 21.407) 21.411 9.008 ( 0.000 0.148 -19.443) 19.444 9.089 ( 0.000 1.113 -9.471) 9.536 9.092 ( 0.000 0.811 -9.344) 9.379 10.035 ( -0.000 -3.265 21.612) 21.858 10.613 ( -0.000 6.331 16.021) 17.227 11.027 ( -0.000 -0.220 2.330) 2.340 11.055 ( -0.000 -2.724 3.444) 4.391 11.948 ( -0.000 1.111 -0.348) 1.164 12.236 ( 0.000 0.606 -22.382) 22.390 12.636 ( -0.000 5.067 13.428) 14.353 12.990 ( 0.000 -9.876 7.623) 12.476 12.991 ( -0.000 -7.499 9.705) 12.265 14.233 ( -0.000 12.385 8.041) 14.767 14.466 ( 0.000 -0.940 -9.099) 9.147 14.943 ( 0.000 2.649 -4.474) 5.199 14.990 ( 0.000 -1.574 -1.799) 2.390 15.211 ( 0.000 -4.302 -1.834) 4.677 16.675 ( 0.000 1.039 -9.950) 10.004 16.683 ( 0.000 0.276 -9.973) 9.977 17.814 ( 0.000 -1.634 -11.890) 12.002 17.861 ( -0.000 2.189 4.852) 5.323 ======================= Grid point 194 (84/112) ======================= q-point: (-0.19 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 0.000 -0.000 -6.089) 6.089 1.548 ( 0.000 -0.000 -6.089) 6.089 1.820 ( 0.000 -0.000 -2.510) 2.510 1.900 ( -0.000 0.000 2.538) 2.538 2.495 ( 0.000 -0.000 -0.269) 0.269 2.495 ( 0.000 -0.000 -0.269) 0.269 2.711 ( -0.000 0.000 2.932) 2.932 2.999 ( 0.000 -0.000 -8.189) 8.189 3.397 ( -0.000 0.000 2.982) 2.982 3.670 ( 0.000 -0.000 -8.150) 8.150 3.670 ( 0.000 -0.000 -8.150) 8.150 3.766 ( 0.000 -0.000 -6.527) 6.527 8.180 ( 0.000 -0.000 -20.355) 20.355 8.456 ( 0.000 -0.000 -10.731) 10.731 8.456 ( 0.000 -0.000 -10.731) 10.731 9.176 ( -0.000 0.000 11.977) 11.977 9.176 ( -0.000 0.000 11.977) 11.977 9.367 ( -0.000 0.000 18.147) 18.147 9.916 ( 0.000 -0.000 -14.218) 14.218 10.045 ( 0.000 -0.000 -51.700) 51.700 10.793 ( 0.000 -0.000 -13.111) 13.111 10.793 ( 0.000 -0.000 -13.111) 13.111 12.099 ( -0.000 0.000 18.723) 18.723 12.263 ( -0.000 0.000 5.532) 5.532 13.121 ( -0.000 0.000 2.271) 2.271 13.121 ( -0.000 0.000 2.271) 2.271 13.388 ( -0.000 0.000 15.891) 15.891 14.014 ( 0.000 -0.000 -10.496) 10.496 14.693 ( 0.000 -0.000 -8.130) 8.130 14.693 ( 0.000 -0.000 -8.130) 8.130 14.803 ( -0.000 0.000 13.585) 13.585 15.063 ( 0.000 -0.000 -7.943) 7.943 16.680 ( -0.000 0.000 9.204) 9.204 16.680 ( -0.000 0.000 9.204) 9.204 17.569 ( -0.000 0.000 5.054) 5.054 18.279 ( -0.000 0.000 11.022) 11.022 ======================= Grid point 197 (85/112) ======================= q-point: (-0.19 -0.19 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 0.000 0.000 2.825) 2.825 1.750 ( 0.000 0.000 0.507) 0.507 1.799 ( 0.000 0.000 0.693) 0.693 2.153 ( 0.000 0.000 3.427) 3.427 2.615 ( 0.000 0.000 -1.894) 1.894 2.625 ( -0.000 -0.000 -0.549) 0.549 2.740 ( 0.000 0.000 -12.407) 12.407 2.807 ( 0.000 0.000 3.002) 3.002 3.278 ( 0.000 0.000 0.677) 0.677 3.516 ( 0.000 0.000 4.805) 4.805 3.979 ( 0.000 0.000 -5.636) 5.636 4.154 ( 0.000 0.000 0.566) 0.566 8.152 ( 0.000 0.000 -21.073) 21.073 8.283 ( 0.000 0.000 -11.911) 11.911 8.371 ( 0.000 0.000 -13.646) 13.646 9.232 ( 0.000 0.000 9.702) 9.702 9.247 ( 0.000 0.000 11.635) 11.635 9.370 ( 0.000 0.000 11.733) 11.733 9.606 ( 0.000 0.000 -44.505) 44.505 10.075 ( 0.000 0.000 -16.344) 16.344 10.523 ( 0.000 0.000 -14.384) 14.384 11.146 ( 0.000 0.000 -12.218) 12.218 12.001 ( 0.000 0.000 14.870) 14.870 12.162 ( 0.000 0.000 2.999) 2.999 12.856 ( -0.000 -0.000 -8.823) 8.823 13.276 ( 0.000 0.000 1.333) 1.333 13.598 ( -0.000 -0.000 16.639) 16.639 13.643 ( 0.000 0.000 -1.427) 1.427 14.361 ( 0.000 0.000 -6.229) 6.229 14.715 ( 0.000 0.000 5.889) 5.889 15.026 ( 0.000 0.000 -11.784) 11.784 15.429 ( 0.000 0.000 6.551) 6.551 16.647 ( 0.000 0.000 11.487) 11.487 17.046 ( 0.000 0.000 13.802) 13.802 17.705 ( 0.000 0.000 5.204) 5.204 18.116 ( 0.000 0.000 9.510) 9.510 ======================= Grid point 214 (86/112) ======================= q-point: ( 0.29 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -0.000 17.341 13.955) 22.259 1.503 ( -0.000 15.415 2.696) 15.649 2.137 ( 0.000 -2.346 -2.749) 3.614 2.171 ( -0.000 19.300 1.127) 19.333 2.561 ( -0.000 3.001 0.739) 3.091 2.690 ( -0.000 2.293 -0.338) 2.318 2.727 ( -0.000 3.770 -2.412) 4.475 2.905 ( -0.000 13.666 2.175) 13.838 3.251 ( -0.000 14.108 1.740) 14.214 3.353 ( 0.000 -1.836 0.287) 1.858 3.647 ( -0.000 13.577 1.939) 13.715 3.911 ( -0.000 11.907 0.377) 11.913 4.701 ( -0.000 -27.010 32.647) 42.372 6.897 ( -0.000 -3.387 5.910) 6.812 7.356 ( -0.000 -2.832 8.183) 8.659 7.378 ( -0.000 -3.066 10.533) 10.970 9.029 ( 0.000 -10.588 9.035) 13.919 9.152 ( 0.000 -13.928 6.035) 15.179 9.617 ( -0.000 8.225 -2.359) 8.557 10.002 ( 0.000 0.370 -1.923) 1.959 10.080 ( 0.000 -2.977 -2.320) 3.775 10.285 ( 0.000 -0.740 -3.831) 3.902 11.643 ( -0.000 -1.882 15.546) 15.660 11.929 ( 0.000 -22.675 3.600) 22.959 12.995 ( 0.000 -1.244 -2.805) 3.069 13.213 ( 0.000 2.227 -5.799) 6.212 13.790 ( 0.000 -2.785 -5.435) 6.108 14.593 ( 0.000 -7.276 -5.920) 9.380 14.792 ( -0.000 16.004 -2.899) 16.264 15.324 ( -0.000 18.241 -5.408) 19.026 15.618 ( 0.000 5.812 -21.479) 22.251 16.354 ( 0.000 1.828 -18.680) 18.769 17.358 ( -0.000 2.841 2.573) 3.833 17.381 ( -0.000 1.163 -0.077) 1.166 17.759 ( -0.000 -2.926 22.751) 22.938 18.649 ( 0.000 1.649 -5.832) 6.060 ======================= Grid point 215 (87/112) ======================= q-point: ( 0.29 -0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -4.307 16.447 10.843) 20.165 1.673 ( -1.115 5.344 2.542) 6.022 2.062 ( -3.142 -1.090 -3.748) 5.011 2.360 ( -5.851 8.809 0.093) 10.575 2.625 ( -10.621 12.632 1.040) 16.536 2.728 ( -0.777 1.549 -0.379) 1.774 2.784 ( -0.057 2.021 -2.249) 3.024 2.984 ( -7.150 12.419 0.945) 14.361 3.203 ( -0.101 -7.385 0.089) 7.387 3.719 ( 6.614 7.426 -1.921) 10.128 3.834 ( -5.911 9.658 1.283) 11.396 4.109 ( 3.201 0.678 3.543) 4.823 4.407 ( 10.105 -8.792 33.382) 35.969 6.836 ( 0.558 -2.830 6.457) 7.072 7.140 ( -8.890 1.735 11.279) 14.466 7.467 ( 7.937 -6.688 3.423) 10.929 8.756 ( -2.439 -10.138 15.192) 18.426 8.994 ( 7.351 -10.663 7.364) 14.898 9.722 ( -2.667 5.458 -4.829) 7.760 10.007 ( 0.040 0.290 -2.013) 2.034 10.029 ( -0.427 -1.271 -2.155) 2.539 10.301 ( 1.941 -0.918 -3.971) 4.514 11.372 ( -8.607 -4.890 14.138) 17.259 11.820 ( 12.625 -11.324 9.136) 19.263 13.078 ( 3.683 3.507 -3.444) 6.142 13.197 ( -3.940 -0.610 -4.000) 5.648 13.915 ( 12.504 0.009 -6.738) 14.204 14.322 ( -2.036 -13.742 -7.898) 15.980 15.010 ( -2.263 7.231 -2.854) 8.097 15.572 ( -5.900 14.486 -12.103) 19.777 15.692 ( -6.488 7.937 -11.921) 15.723 16.380 ( 0.788 -0.033 -16.779) 16.798 17.354 ( -2.402 1.742 0.570) 3.021 17.465 ( 3.235 0.813 4.299) 5.441 17.718 ( -1.642 0.084 17.179) 17.257 18.673 ( -0.491 1.257 -5.550) 5.712 ======================= Grid point 220 (88/112) ======================= q-point: ( 0.45 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -0.000 9.765 -2.012) 9.970 1.770 ( -0.000 3.720 0.356) 3.737 1.949 ( 0.000 -3.178 -2.208) 3.870 2.296 ( -0.000 5.545 -5.313) 7.680 2.634 ( 0.000 2.384 -3.523) 4.254 2.679 ( -0.000 4.392 -0.417) 4.412 2.747 ( -0.000 2.439 0.602) 2.512 3.178 ( -0.000 9.738 0.497) 9.751 3.194 ( 0.000 -6.645 0.216) 6.648 3.676 ( -0.000 12.035 2.952) 12.392 3.961 ( -0.000 8.977 1.429) 9.090 4.080 ( -0.000 4.733 0.001) 4.733 6.633 ( -0.000 -6.704 64.085) 64.435 7.326 ( -0.000 -1.937 17.082) 17.191 7.710 ( -0.000 -6.034 11.753) 13.211 7.856 ( -0.000 -10.504 18.136) 20.959 9.458 ( -0.000 -0.321 8.476) 8.482 9.491 ( -0.000 -1.486 7.462) 7.609 9.696 ( -0.000 2.243 1.610) 2.761 9.974 ( 0.000 0.159 -11.186) 11.187 10.023 ( -0.000 -1.376 13.286) 13.357 10.102 ( -0.000 -3.748 15.274) 15.727 11.919 ( 0.000 -12.741 11.902) 17.436 12.530 ( -0.000 6.382 13.228) 14.687 12.669 ( 0.000 4.491 -11.263) 12.125 13.161 ( -0.000 -0.271 5.369) 5.376 13.271 ( 0.000 -6.338 -13.916) 15.291 13.751 ( 0.000 -17.970 -16.009) 24.067 14.833 ( -0.000 9.817 -6.206) 11.614 15.209 ( -0.000 9.067 -8.864) 12.680 15.239 ( 0.000 8.410 -8.690) 12.093 15.695 ( 0.000 0.482 -13.665) 13.674 17.338 ( 0.000 4.472 -6.788) 8.129 17.371 ( 0.000 3.490 -6.819) 7.660 18.221 ( 0.000 -1.435 0.029) 1.436 18.279 ( 0.000 0.419 -9.240) 9.249 ======================= Grid point 221 (89/112) ======================= q-point: ( 0.45 -0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -3.434 3.434 -3.056) 5.738 1.801 ( -0.854 0.854 -1.611) 2.013 1.870 ( -0.503 0.503 -1.398) 1.569 2.353 ( -3.172 3.172 -6.152) 7.613 2.662 ( -0.673 0.673 -4.098) 4.207 2.736 ( -2.007 2.007 -0.236) 2.848 2.773 ( -1.300 1.300 -1.089) 2.137 3.113 ( 3.641 -3.641 1.495) 5.362 3.243 ( -9.090 9.090 0.372) 12.861 3.816 ( -3.814 3.814 1.446) 5.584 4.042 ( -4.952 4.952 0.432) 7.017 4.143 ( 0.174 -0.174 -1.166) 1.192 6.607 ( 2.538 -2.538 66.902) 66.998 7.306 ( 1.011 -1.011 17.478) 17.537 7.633 ( 3.332 -3.332 10.624) 11.622 7.722 ( 5.109 -5.109 16.557) 18.065 9.452 ( -0.323 0.323 9.706) 9.717 9.482 ( 1.223 -1.223 10.625) 10.765 9.716 ( -1.469 1.469 2.906) 3.572 9.979 ( -0.047 0.047 -10.748) 10.749 10.007 ( 0.382 -0.382 10.459) 10.473 10.059 ( 2.679 -2.679 16.770) 17.193 11.784 ( 4.971 -4.971 13.451) 15.178 12.598 ( -3.257 3.257 17.838) 18.423 12.721 ( -3.852 3.852 -15.275) 16.217 13.125 ( 1.903 -1.903 -0.038) 2.691 13.361 ( 8.922 -8.922 -15.915) 20.310 13.476 ( 6.018 -6.018 -10.375) 13.419 14.929 ( -4.318 4.318 -6.545) 8.952 15.260 ( -7.448 7.448 -8.942) 13.817 15.333 ( -3.757 3.757 -11.308) 12.494 15.707 ( 1.405 -1.405 -13.872) 14.014 17.339 ( -4.503 4.503 -6.617) 9.184 17.458 ( 1.261 -1.261 -6.553) 6.791 18.192 ( 0.958 -0.958 4.505) 4.704 18.292 ( -1.426 1.426 -13.156) 13.309 ======================= Grid point 227 (90/112) ======================= q-point: ( 0.61 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -0.000 4.206 -2.657) 4.975 1.684 ( 0.000 -0.220 -2.527) 2.537 1.904 ( 0.000 -1.629 -0.285) 1.653 2.091 ( 0.000 1.315 -6.468) 6.600 2.562 ( -0.000 1.180 -0.302) 1.218 2.667 ( 0.000 0.963 -2.913) 3.068 2.705 ( 0.000 -2.706 -2.892) 3.961 3.189 ( -0.000 -1.153 3.228) 3.428 3.280 ( -0.000 4.288 -2.273) 4.853 3.897 ( -0.000 6.105 -0.854) 6.164 4.023 ( 0.000 1.126 -2.722) 2.946 4.068 ( 0.000 -1.710 -1.988) 2.622 8.116 ( -0.000 -0.557 21.556) 21.563 8.131 ( -0.000 -1.175 15.772) 15.816 8.151 ( -0.000 -2.965 14.379) 14.681 9.274 ( -0.000 -4.162 36.974) 37.207 9.291 ( 0.000 1.091 -9.956) 10.016 9.301 ( -0.000 -1.192 3.084) 3.307 9.387 ( 0.000 0.004 -17.405) 17.405 10.237 ( -0.000 4.288 18.590) 19.079 10.865 ( -0.000 0.743 14.322) 14.342 10.887 ( -0.000 -1.329 14.125) 14.187 12.116 ( 0.000 2.856 -13.888) 14.179 12.351 ( -0.000 -0.583 14.588) 14.600 12.603 ( 0.000 2.817 -12.357) 12.674 12.835 ( 0.000 -7.374 3.513) 8.168 12.892 ( 0.000 -12.489 -0.479) 12.499 13.996 ( -0.000 6.957 15.720) 17.191 14.648 ( 0.000 2.224 -8.753) 9.031 15.039 ( 0.000 2.920 -5.432) 6.167 15.047 ( 0.000 1.529 -4.054) 4.333 15.281 ( 0.000 -3.296 -5.432) 6.354 16.936 ( 0.000 2.239 -14.421) 14.594 16.945 ( 0.000 1.409 -14.467) 14.535 17.861 ( 0.000 2.341 -5.004) 5.524 18.046 ( 0.000 -1.643 -9.917) 10.052 ======================= Grid point 233 (91/112) ======================= q-point: (-0.23 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 0.000 -0.000 -1.813) 1.813 1.623 ( 0.000 -0.000 -1.813) 1.813 1.870 ( -0.000 0.000 0.464) 0.464 1.880 ( 0.000 -0.000 -3.648) 3.648 2.529 ( 0.000 -0.000 -2.839) 2.839 2.529 ( 0.000 -0.000 -2.839) 2.839 2.650 ( -0.000 0.000 2.992) 2.992 3.144 ( 0.000 -0.000 -6.114) 6.114 3.331 ( -0.000 0.000 3.476) 3.476 3.824 ( 0.000 -0.000 -6.836) 6.836 3.824 ( 0.000 -0.000 -6.836) 6.836 3.878 ( 0.000 -0.000 -4.448) 4.448 8.595 ( -0.000 0.000 0.434) 0.434 8.595 ( -0.000 0.000 0.434) 0.434 8.599 ( 0.000 -0.000 -20.601) 20.601 8.976 ( -0.000 0.000 20.219) 20.219 8.994 ( -0.000 0.000 2.512) 2.512 8.994 ( -0.000 0.000 2.512) 2.512 10.146 ( 0.000 -0.000 -5.824) 5.824 10.801 ( 0.000 -0.000 -15.341) 15.341 10.982 ( 0.000 -0.000 -5.655) 5.655 10.982 ( 0.000 -0.000 -5.655) 5.655 11.875 ( 0.000 -0.000 -3.745) 3.745 12.082 ( -0.000 0.000 10.552) 10.552 13.049 ( -0.000 0.000 5.452) 5.452 13.049 ( -0.000 0.000 5.452) 5.452 13.056 ( -0.000 0.000 16.749) 16.749 14.234 ( 0.000 -0.000 -10.995) 10.995 14.568 ( -0.000 0.000 10.066) 10.066 14.853 ( 0.000 -0.000 -6.957) 6.957 14.853 ( 0.000 -0.000 -6.957) 6.957 15.148 ( 0.000 -0.000 -1.290) 1.290 16.573 ( -0.000 0.000 0.228) 0.228 16.573 ( -0.000 0.000 0.228) 0.228 17.593 ( 0.000 -0.000 -6.864) 6.864 18.049 ( -0.000 0.000 10.759) 10.759 ======================= Grid point 236 (92/112) ======================= q-point: (-0.23 -0.23 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 0.000 0.000 0.855) 0.855 1.750 ( 0.000 0.000 -0.605) 0.605 1.773 ( 0.000 0.000 1.496) 1.496 2.100 ( 0.000 0.000 1.493) 1.493 2.635 ( 0.000 0.000 -0.293) 0.293 2.670 ( 0.000 0.000 -3.280) 3.280 2.740 ( 0.000 0.000 3.464) 3.464 2.935 ( 0.000 0.000 -5.781) 5.781 3.268 ( 0.000 0.000 0.265) 0.265 3.427 ( 0.000 0.000 3.104) 3.104 4.074 ( 0.000 0.000 -3.717) 3.717 4.130 ( 0.000 0.000 1.889) 1.889 8.502 ( 0.000 0.000 -7.973) 7.973 8.582 ( 0.000 0.000 -21.072) 21.072 8.609 ( 0.000 0.000 -8.542) 8.542 9.001 ( 0.000 0.000 19.886) 19.886 9.032 ( 0.000 0.000 7.877) 7.877 9.041 ( 0.000 0.000 7.590) 7.590 10.342 ( 0.000 0.000 -19.486) 19.486 10.379 ( 0.000 0.000 -11.008) 11.008 10.733 ( 0.000 0.000 -5.517) 5.517 11.286 ( 0.000 0.000 -2.716) 2.716 11.818 ( 0.000 0.000 -0.132) 0.132 11.995 ( 0.000 0.000 12.293) 12.293 13.045 ( 0.000 0.000 -10.361) 10.361 13.285 ( -0.000 -0.000 -0.762) 0.762 13.289 ( 0.000 0.000 13.670) 13.670 13.698 ( 0.000 0.000 -2.581) 2.581 14.491 ( 0.000 0.000 -5.828) 5.828 14.610 ( 0.000 0.000 4.615) 4.615 15.207 ( 0.000 0.000 -6.385) 6.385 15.315 ( 0.000 0.000 4.939) 4.939 16.466 ( 0.000 0.000 5.212) 5.212 16.827 ( 0.000 0.000 6.313) 6.313 17.713 ( 0.000 0.000 -5.661) 5.661 17.897 ( 0.000 0.000 11.125) 11.125 ======================= Grid point 253 (93/112) ======================= q-point: ( 0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -0.000 20.548 -0.000) 20.548 1.474 ( -0.000 16.066 -0.000) 16.066 2.159 ( -0.000 21.631 -0.000) 21.631 2.167 ( 0.000 -2.243 0.000) 2.243 2.553 ( -0.000 3.170 -0.000) 3.170 2.693 ( -0.000 1.935 -0.000) 1.935 2.756 ( -0.000 3.161 -0.000) 3.161 2.878 ( -0.000 15.521 -0.000) 15.521 3.233 ( -0.000 17.564 -0.000) 17.564 3.351 ( 0.000 -3.272 0.000) 3.272 3.626 ( -0.000 13.839 -0.000) 13.839 3.908 ( -0.000 12.705 -0.000) 12.705 4.364 ( 0.000 -30.917 0.000) 30.917 6.837 ( 0.000 -3.590 0.000) 3.590 7.265 ( 0.000 -2.300 0.000) 2.300 7.267 ( 0.000 -2.332 0.000) 2.332 8.937 ( 0.000 -11.858 0.000) 11.858 9.090 ( 0.000 -16.291 0.000) 16.291 9.650 ( -0.000 9.797 -0.000) 9.797 10.023 ( -0.000 0.444 -0.000) 0.444 10.106 ( 0.000 -3.320 0.000) 3.320 10.324 ( 0.000 -0.793 0.000) 0.793 11.473 ( 0.000 -4.265 0.000) 4.265 11.892 ( 0.000 -23.395 0.000) 23.395 13.018 ( 0.000 -1.553 0.000) 1.553 13.283 ( -0.000 2.140 -0.000) 2.140 13.845 ( 0.000 -1.624 0.000) 1.624 14.651 ( 0.000 -4.772 0.000) 4.772 14.822 ( -0.000 15.898 -0.000) 15.898 15.384 ( -0.000 19.913 -0.000) 19.913 15.884 ( 0.000 -2.563 0.000) 2.563 16.628 ( 0.000 -2.188 0.000) 2.188 17.357 ( -0.000 8.241 -0.000) 8.241 17.379 ( -0.000 0.120 -0.000) 0.120 17.384 ( -0.000 0.100 -0.000) 0.100 18.708 ( -0.000 1.422 -0.000) 1.422 ======================= Grid point 254 (94/112) ======================= q-point: ( 0.25 -0.25 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -6.040 19.183 -0.000) 20.111 1.647 ( -1.466 5.975 -0.000) 6.152 2.103 ( -2.253 -1.482 -0.000) 2.697 2.356 ( -7.211 9.907 -0.000) 12.253 2.613 ( -13.220 13.943 -0.000) 19.214 2.733 ( 0.278 1.492 -0.000) 1.517 2.807 ( -0.113 1.975 -0.000) 1.979 2.973 ( -6.521 12.744 -0.000) 14.316 3.202 ( -0.290 -7.542 0.000) 7.547 3.777 ( -0.775 16.583 -0.000) 16.601 3.844 ( -0.593 10.033 -0.000) 10.050 3.886 ( 11.546 -28.003 0.000) 30.290 4.189 ( 5.843 8.843 -0.000) 10.599 6.771 ( 0.485 -3.136 0.000) 3.173 7.019 ( -10.490 2.627 -0.000) 10.814 7.433 ( 10.623 -5.682 0.000) 12.047 8.595 ( -4.927 -11.707 0.000) 12.701 8.919 ( 8.985 -12.268 0.000) 15.207 9.786 ( -2.736 6.859 -0.000) 7.385 10.028 ( -0.042 0.376 -0.000) 0.378 10.052 ( -0.400 -1.282 0.000) 1.343 10.341 ( 2.112 -1.013 0.000) 2.342 11.204 ( -9.382 -4.443 -0.000) 10.381 11.733 ( 14.328 -14.446 0.000) 20.347 13.104 ( 4.411 2.882 0.000) 5.269 13.249 ( -5.604 0.480 -0.000) 5.625 13.983 ( 11.638 0.674 0.000) 11.658 14.400 ( -2.946 -11.976 0.000) 12.334 15.039 ( -2.099 6.828 -0.000) 7.143 15.695 ( -2.959 16.354 -0.000) 16.619 15.848 ( -7.840 4.243 -0.000) 8.914 16.596 ( 0.568 -1.573 0.000) 1.672 17.353 ( -1.515 0.585 -0.000) 1.624 17.413 ( 1.480 -0.498 0.000) 1.561 17.477 ( -0.829 4.591 -0.000) 4.665 18.729 ( -0.394 1.074 -0.000) 1.144 ======================= Grid point 259 (95/112) ======================= q-point: ( 0.41 -0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -0.000 13.808 2.379) 14.011 1.731 ( -0.000 4.137 2.722) 4.952 2.021 ( 0.000 -2.263 -4.230) 4.797 2.386 ( -0.000 8.481 -3.436) 9.151 2.664 ( -0.000 6.019 0.154) 6.021 2.724 ( 0.000 2.654 -3.466) 4.365 2.735 ( -0.000 2.484 0.448) 2.524 3.167 ( -0.000 11.290 0.565) 11.305 3.192 ( 0.000 -7.619 0.021) 7.619 3.624 ( -0.000 12.750 1.891) 12.890 3.930 ( -0.000 11.715 1.516) 11.813 4.082 ( -0.000 6.280 -0.211) 6.283 5.327 ( -0.000 -10.865 60.982) 61.942 7.024 ( -0.000 -2.757 12.371) 12.675 7.483 ( -0.000 -4.946 10.403) 11.519 7.546 ( -0.000 -6.868 13.315) 14.982 9.156 ( -0.000 -7.044 19.879) 21.090 9.172 ( -0.000 -7.897 16.759) 18.526 9.678 ( -0.000 3.105 -0.965) 3.251 9.955 ( 0.000 -0.342 -2.072) 2.100 9.990 ( 0.000 -2.222 -1.184) 2.518 10.165 ( 0.000 0.201 -7.579) 7.581 11.703 ( 0.000 -15.369 9.030) 17.825 12.074 ( -0.000 1.136 26.014) 26.038 12.917 ( 0.000 5.263 -9.975) 11.279 13.153 ( 0.000 2.621 -3.402) 4.294 13.556 ( 0.000 -2.551 -13.109) 13.355 14.092 ( 0.000 -18.754 -15.784) 24.512 14.948 ( -0.000 10.080 -4.944) 11.227 15.434 ( -0.000 11.367 -10.284) 15.329 15.442 ( 0.000 10.608 -14.087) 17.634 16.012 ( 0.000 0.888 -17.215) 17.238 17.418 ( -0.000 3.314 -1.189) 3.521 17.443 ( -0.000 2.805 -0.367) 2.829 18.056 ( -0.000 -3.209 12.870) 13.264 18.515 ( 0.000 1.903 -10.358) 10.531 ======================= Grid point 260 (96/112) ======================= q-point: ( 0.41 -0.26 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( -0.027 0.027 2.941) 2.941 1.828 ( -6.853 6.853 0.063) 9.691 1.963 ( -1.101 1.101 -5.334) 5.556 2.460 ( -5.553 5.553 -4.202) 8.906 2.736 ( -1.539 1.539 -0.900) 2.355 2.749 ( -1.167 1.167 -3.131) 3.539 2.787 ( -2.601 2.601 -0.399) 3.701 3.088 ( 4.501 -4.501 0.958) 6.436 3.234 ( -10.613 10.613 0.471) 15.016 3.770 ( 0.052 -0.052 3.579) 3.579 4.031 ( -7.193 7.193 0.524) 10.186 4.163 ( -0.434 0.434 -0.545) 0.820 5.275 ( 3.419 -3.419 60.312) 60.506 6.995 ( 1.447 -1.447 12.910) 13.071 7.422 ( 1.020 -1.020 13.471) 13.548 7.452 ( 4.526 -4.526 7.059) 9.529 9.068 ( 3.222 -3.222 24.760) 25.176 9.108 ( 4.806 -4.806 18.969) 20.150 9.701 ( -1.701 1.701 -2.111) 3.200 9.958 ( 0.451 -0.451 -2.178) 2.270 9.959 ( 0.592 -0.592 -1.965) 2.136 10.173 ( 0.176 -0.176 -7.705) 7.709 11.532 ( 5.204 -5.204 11.204) 13.405 12.098 ( 1.368 -1.368 27.092) 27.161 13.008 ( -4.335 4.335 -12.464) 13.890 13.145 ( -2.670 2.670 -1.820) 4.192 13.672 ( 6.759 -6.759 -13.738) 16.736 13.792 ( 9.355 -9.355 -16.453) 21.112 15.045 ( -4.330 4.330 -4.776) 7.766 15.490 ( -8.765 8.765 -13.540) 18.358 15.581 ( -4.188 4.188 -12.718) 14.030 16.025 ( 0.563 -0.563 -17.072) 17.090 17.412 ( -3.660 3.660 -0.778) 5.235 17.519 ( 1.455 -1.455 0.451) 2.107 18.019 ( 0.323 -0.323 12.141) 12.150 18.533 ( -1.022 1.022 -10.096) 10.199 ======================= Grid point 266 (97/112) ======================= q-point: ( 0.57 -0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -0.000 4.876 -4.225) 6.452 1.754 ( 0.000 0.431 -4.110) 4.132 1.894 ( 0.000 -2.093 1.210) 2.418 2.235 ( 0.000 2.596 -7.448) 7.887 2.594 ( 0.000 1.087 -2.783) 2.988 2.720 ( 0.000 2.206 -2.234) 3.139 2.754 ( 0.000 -0.931 -1.813) 2.038 3.128 ( 0.000 -2.987 2.745) 4.057 3.315 ( -0.000 5.583 -1.284) 5.729 3.892 ( -0.000 6.832 1.185) 6.934 4.067 ( -0.000 2.991 -1.603) 3.393 4.104 ( 0.000 -0.149 -1.549) 1.557 7.687 ( -0.000 -0.735 20.425) 20.438 7.734 ( -0.000 4.877 31.205) 31.584 7.866 ( -0.000 -3.919 13.463) 14.021 8.178 ( -0.000 -13.418 48.429) 50.253 9.467 ( 0.000 0.555 -6.606) 6.630 9.468 ( 0.000 0.433 -6.357) 6.372 9.714 ( 0.000 0.103 -14.631) 14.632 9.906 ( -0.000 3.472 13.263) 13.710 10.452 ( -0.000 0.297 24.801) 24.803 10.481 ( -0.000 -2.420 24.366) 24.486 12.042 ( -0.000 -4.677 15.531) 16.220 12.433 ( 0.000 4.937 -16.265) 16.998 12.762 ( 0.000 3.968 -4.108) 5.711 12.900 ( 0.000 -5.475 -9.705) 11.143 13.018 ( 0.000 -12.947 -9.640) 16.141 13.613 ( -0.000 1.501 19.798) 19.855 14.819 ( 0.000 4.192 -7.955) 8.992 15.161 ( 0.000 3.922 -7.280) 8.269 15.172 ( 0.000 3.291 -7.755) 8.424 15.439 ( 0.000 -1.877 -10.141) 10.313 17.215 ( 0.000 2.806 -12.182) 12.501 17.225 ( 0.000 1.840 -12.267) 12.405 18.043 ( 0.000 2.104 -11.923) 12.108 18.189 ( 0.000 -1.816 -3.744) 4.161 ======================= Grid point 272 (98/112) ======================= q-point: (-0.27 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 0.000 -0.000 -1.062) 1.062 1.646 ( 0.000 -0.000 -1.062) 1.062 1.875 ( 0.000 -0.000 -0.769) 0.769 1.973 ( 0.000 -0.000 -5.559) 5.559 2.596 ( -0.000 0.000 2.094) 2.094 2.599 ( 0.000 -0.000 -3.823) 3.823 2.599 ( 0.000 -0.000 -3.823) 3.823 3.249 ( 0.000 -0.000 -4.323) 4.323 3.257 ( -0.000 0.000 3.796) 3.796 3.945 ( 0.000 -0.000 -5.100) 5.100 3.945 ( 0.000 -0.000 -5.100) 5.100 3.946 ( 0.000 -0.000 -2.291) 2.291 8.418 ( -0.000 0.000 13.533) 13.533 8.418 ( -0.000 0.000 13.533) 13.533 8.551 ( -0.000 0.000 21.447) 21.447 9.009 ( 0.000 -0.000 -19.545) 19.545 9.099 ( 0.000 -0.000 -9.471) 9.471 9.099 ( 0.000 -0.000 -9.471) 9.471 10.005 ( -0.000 0.000 22.862) 22.862 10.679 ( -0.000 0.000 18.081) 18.081 11.024 ( -0.000 0.000 1.876) 1.876 11.024 ( -0.000 0.000 1.876) 1.876 11.960 ( 0.000 -0.000 -1.526) 1.526 12.241 ( 0.000 -0.000 -23.337) 23.337 12.708 ( -0.000 0.000 17.376) 17.376 12.896 ( -0.000 0.000 8.849) 8.849 12.896 ( -0.000 0.000 8.849) 8.849 14.360 ( -0.000 0.000 11.444) 11.444 14.457 ( 0.000 -0.000 -10.795) 10.795 14.968 ( 0.000 -0.000 -4.699) 4.699 14.968 ( 0.000 -0.000 -4.699) 4.699 15.167 ( 0.000 -0.000 -1.647) 1.647 16.685 ( 0.000 -0.000 -10.647) 10.647 16.685 ( 0.000 -0.000 -10.647) 10.647 17.799 ( 0.000 -0.000 -11.968) 11.968 17.882 ( -0.000 0.000 4.734) 4.734 ======================= Grid point 300 (99/112) ======================= q-point: ( 0.37 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -0.000 19.495 9.579) 21.721 1.680 ( -0.000 4.436 2.013) 4.871 2.099 ( 0.000 -1.727 -2.983) 3.447 2.436 ( -0.000 11.157 -1.583) 11.269 2.658 ( -0.000 7.191 0.293) 7.197 2.729 ( -0.000 1.972 0.202) 1.982 2.785 ( -0.000 2.563 -2.243) 3.406 3.156 ( -0.000 12.660 0.460) 12.668 3.193 ( 0.000 -8.124 -0.078) 8.125 3.613 ( -0.000 10.719 -1.429) 10.813 3.903 ( -0.000 13.780 0.969) 13.814 4.075 ( -0.000 3.107 3.323) 4.550 4.295 ( -0.000 -9.271 35.602) 36.789 6.831 ( -0.000 -3.557 6.391) 7.314 7.301 ( -0.000 -3.019 6.926) 7.555 7.317 ( -0.000 -3.446 8.612) 9.276 8.821 ( -0.000 -11.383 11.726) 16.343 8.884 ( 0.000 -14.390 10.208) 17.643 9.748 ( -0.000 5.798 -4.877) 7.576 10.005 ( 0.000 -0.053 -2.071) 2.071 10.035 ( 0.000 -1.895 -2.145) 2.862 10.281 ( 0.000 0.279 -3.817) 3.828 11.561 ( 0.000 -17.125 4.821) 17.791 11.591 ( -0.000 -3.335 19.324) 19.610 13.040 ( -0.000 5.993 -2.853) 6.638 13.261 ( 0.000 2.605 -5.557) 6.138 13.770 ( 0.000 0.252 -7.397) 7.401 14.346 ( 0.000 -17.827 -8.598) 19.792 15.027 ( -0.000 9.784 -2.661) 10.139 15.634 ( -0.000 14.871 -8.306) 17.033 15.751 ( 0.000 7.922 -14.512) 16.533 16.372 ( 0.000 0.256 -17.066) 17.068 17.405 ( -0.000 1.326 1.715) 2.168 17.406 ( -0.000 2.035 2.946) 3.581 17.734 ( -0.000 -0.152 17.423) 17.423 18.677 ( 0.000 1.412 -5.460) 5.640 ======================= Grid point 301 (100/112) ======================= q-point: ( 0.37 -0.29 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -0.187 0.187 1.964) 1.982 1.763 ( -12.145 12.145 6.361) 18.315 2.055 ( -0.660 0.660 -3.411) 3.536 2.519 ( -8.174 8.174 -1.632) 11.674 2.745 ( -0.874 0.874 -0.499) 1.333 2.792 ( -3.605 3.605 -0.120) 5.099 2.811 ( -0.973 0.973 -2.280) 2.663 3.074 ( 4.958 -4.958 0.499) 7.029 3.226 ( -11.510 11.510 0.237) 16.279 3.616 ( 12.821 -12.821 13.076) 22.355 4.022 ( -8.894 8.894 0.312) 12.582 4.122 ( -3.143 3.143 7.115) 8.389 4.389 ( -1.130 1.130 19.214) 19.280 6.792 ( 1.860 -1.860 6.857) 7.344 7.187 ( -3.174 3.174 8.957) 10.019 7.348 ( 5.931 -5.931 3.167) 8.965 8.630 ( 3.079 -3.079 16.290) 16.861 8.796 ( 10.123 -10.123 10.712) 17.879 9.800 ( -2.912 2.912 -6.428) 7.635 10.008 ( 0.242 -0.242 -2.112) 2.140 10.011 ( 0.461 -0.461 -2.207) 2.301 10.291 ( 0.197 -0.197 -3.899) 3.909 11.318 ( 1.108 -1.108 10.374) 10.492 11.627 ( 8.820 -8.820 16.324) 20.544 13.180 ( -4.353 4.353 -1.345) 6.302 13.209 ( -4.079 4.079 -6.986) 9.060 13.893 ( 4.860 -4.860 -7.633) 10.271 14.063 ( 9.993 -9.993 -9.337) 16.938 15.120 ( -4.173 4.173 -2.494) 6.407 15.777 ( -7.697 7.697 -13.049) 16.992 15.823 ( -5.614 5.614 -10.046) 12.804 16.375 ( 0.418 -0.418 -16.084) 16.095 17.390 ( -2.099 2.099 2.070) 3.619 17.459 ( 1.199 -1.199 4.436) 4.749 17.731 ( -0.953 0.953 14.684) 14.746 18.691 ( -0.730 0.730 -5.289) 5.389 ======================= Grid point 307 (101/112) ======================= q-point: ( 0.53 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -0.000 6.508 -4.612) 7.977 1.810 ( -0.000 1.213 0.730) 1.416 1.894 ( 0.000 -2.562 -3.281) 4.163 2.385 ( 0.000 3.956 -7.179) 8.197 2.668 ( 0.000 1.247 -4.176) 4.358 2.757 ( -0.000 3.372 -1.397) 3.650 2.778 ( -0.000 1.097 -0.570) 1.236 3.079 ( 0.000 -5.352 1.961) 5.700 3.334 ( -0.000 6.645 -0.674) 6.679 3.851 ( -0.000 6.620 2.957) 7.251 4.092 ( -0.000 5.061 -0.983) 5.156 4.133 ( 0.000 1.185 -1.333) 1.783 6.586 ( -0.000 0.667 67.888) 67.891 7.297 ( -0.000 -1.123 17.668) 17.704 7.610 ( -0.000 -4.348 11.604) 12.392 7.664 ( -0.000 -9.311 14.249) 17.021 9.458 ( -0.000 0.230 11.463) 11.465 9.469 ( -0.000 -0.874 11.113) 11.148 9.731 ( -0.000 1.607 3.686) 4.021 9.978 ( 0.000 0.235 -11.078) 11.081 10.004 ( -0.000 -0.697 12.760) 12.779 10.033 ( -0.000 -3.372 14.148) 14.545 11.737 ( -0.000 -6.881 14.100) 15.689 12.628 ( -0.000 3.833 19.035) 19.417 12.766 ( 0.000 5.852 -14.500) 15.637 13.163 ( 0.000 0.048 -2.093) 2.093 13.185 ( 0.000 -3.078 -16.867) 17.146 13.450 ( 0.000 -13.702 -9.425) 16.631 14.968 ( 0.000 4.922 -6.650) 8.273 15.344 ( 0.000 5.443 -10.732) 12.033 15.357 ( 0.000 4.321 -10.466) 11.323 15.690 ( 0.000 -0.732 -14.445) 14.464 17.407 ( 0.000 2.818 -6.386) 6.980 17.419 ( 0.000 1.709 -6.431) 6.654 18.184 ( -0.000 -1.653 4.229) 4.541 18.306 ( 0.000 1.462 -12.885) 12.968 ======================= Grid point 313 (102/112) ======================= q-point: ( 0.69 -0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 0.000 -0.000 -2.687) 2.687 1.682 ( 0.000 -0.000 -2.687) 2.687 1.888 ( 0.000 -0.000 -0.172) 0.172 2.104 ( 0.000 -0.000 -7.220) 7.220 2.574 ( 0.000 -0.000 -0.106) 0.106 2.676 ( 0.000 -0.000 -3.568) 3.568 2.676 ( 0.000 -0.000 -3.568) 3.568 3.178 ( -0.000 0.000 3.913) 3.913 3.322 ( 0.000 -0.000 -2.904) 2.904 3.973 ( 0.000 -0.000 -0.394) 0.394 4.033 ( 0.000 -0.000 -3.558) 3.558 4.033 ( 0.000 -0.000 -3.558) 3.558 8.111 ( -0.000 0.000 21.636) 21.636 8.122 ( -0.000 0.000 14.868) 14.868 8.122 ( -0.000 0.000 14.868) 14.868 9.222 ( -0.000 0.000 51.644) 51.644 9.302 ( 0.000 -0.000 -9.707) 9.707 9.302 ( 0.000 -0.000 -9.707) 9.707 9.387 ( 0.000 -0.000 -17.486) 17.486 10.280 ( -0.000 0.000 19.173) 19.173 10.872 ( -0.000 0.000 14.047) 14.047 10.872 ( -0.000 0.000 14.047) 14.047 12.147 ( 0.000 -0.000 -14.949) 14.949 12.352 ( -0.000 0.000 17.589) 17.589 12.639 ( 0.000 -0.000 -14.828) 14.828 12.760 ( -0.000 0.000 2.355) 2.355 12.760 ( -0.000 0.000 2.355) 2.355 14.063 ( -0.000 0.000 18.336) 18.336 14.668 ( 0.000 -0.000 -9.946) 9.946 15.066 ( 0.000 -0.000 -5.496) 5.496 15.066 ( 0.000 -0.000 -5.496) 5.496 15.243 ( 0.000 -0.000 -6.100) 6.100 16.957 ( 0.000 -0.000 -14.824) 14.824 16.957 ( 0.000 -0.000 -14.824) 14.824 17.883 ( 0.000 -0.000 -4.967) 4.967 18.030 ( 0.000 -0.000 -9.874) 9.874 ======================= Grid point 346 (103/112) ======================= q-point: ( 0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -0.000 22.921 -0.000) 22.921 1.658 ( -0.000 4.617 -0.000) 4.617 2.131 ( 0.000 -1.673 0.000) 1.673 2.452 ( -0.000 12.182 -0.000) 12.182 2.655 ( -0.000 7.530 -0.000) 7.530 2.727 ( -0.000 1.660 -0.000) 1.660 2.808 ( -0.000 2.478 -0.000) 2.478 3.151 ( -0.000 13.320 -0.000) 13.320 3.194 ( 0.000 -8.292 0.000) 8.292 3.705 ( -0.000 25.598 -0.000) 25.598 3.774 ( 0.000 -32.730 0.000) 32.730 3.893 ( -0.000 14.571 -0.000) 14.571 4.116 ( -0.000 9.779 -0.000) 9.779 6.766 ( 0.000 -3.917 0.000) 3.917 7.225 ( 0.000 -1.968 0.000) 1.968 7.226 ( 0.000 -2.039 0.000) 2.039 8.701 ( 0.000 -13.121 0.000) 13.121 8.779 ( 0.000 -16.768 0.000) 16.768 9.812 ( -0.000 7.552 -0.000) 7.552 10.027 ( -0.000 0.026 -0.000) 0.026 10.058 ( 0.000 -1.914 0.000) 1.914 10.320 ( -0.000 0.311 -0.000) 0.311 11.377 ( 0.000 -5.650 0.000) 5.650 11.511 ( 0.000 -17.751 0.000) 17.751 13.066 ( -0.000 6.426 -0.000) 6.426 13.323 ( -0.000 2.066 -0.000) 2.066 13.846 ( -0.000 1.245 -0.000) 1.245 14.433 ( 0.000 -17.097 0.000) 17.097 15.054 ( -0.000 9.618 -0.000) 9.618 15.726 ( -0.000 16.705 -0.000) 16.705 15.923 ( -0.000 5.143 -0.000) 5.143 16.591 ( 0.000 -1.779 0.000) 1.779 17.381 ( -0.000 0.104 -0.000) 0.104 17.385 ( 0.000 -0.021 0.000) 0.021 17.484 ( -0.000 5.549 -0.000) 5.549 18.733 ( -0.000 1.223 -0.000) 1.223 ======================= Grid point 347 (104/112) ======================= q-point: ( 0.33 -0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -15.391 15.391 -0.000) 21.766 1.690 ( -0.280 0.280 -0.000) 0.396 2.091 ( -0.384 0.384 -0.000) 0.543 2.534 ( -9.301 9.301 -0.000) 13.153 2.751 ( -0.441 0.441 -0.000) 0.623 2.793 ( -4.001 4.001 -0.000) 5.659 2.835 ( -1.000 1.000 -0.000) 1.414 3.068 ( 5.104 -5.104 0.000) 7.218 3.225 ( -12.066 12.066 -0.000) 17.064 3.416 ( 21.393 -21.393 0.000) 30.254 4.018 ( -8.258 8.258 -0.000) 11.678 4.019 ( -9.547 9.547 -0.000) 13.502 4.282 ( -1.210 1.210 -0.000) 1.711 6.721 ( 2.034 -2.034 0.000) 2.877 7.090 ( -4.978 4.978 -0.000) 7.040 7.317 ( 6.681 -6.681 0.000) 9.448 8.458 ( 2.706 -2.706 0.000) 3.827 8.687 ( 12.246 -12.246 0.000) 17.318 9.885 ( -3.739 3.739 -0.000) 5.288 10.031 ( 0.178 -0.178 0.000) 0.252 10.034 ( 0.457 -0.457 0.000) 0.646 10.331 ( 0.207 -0.207 0.000) 0.293 11.177 ( -1.699 1.699 -0.000) 2.402 11.474 ( 13.156 -13.156 0.000) 18.606 13.194 ( -4.868 4.868 -0.000) 6.884 13.282 ( -3.835 3.835 -0.000) 5.424 13.972 ( 4.150 -4.150 0.000) 5.869 14.158 ( 9.887 -9.887 0.000) 13.982 15.145 ( -4.094 4.094 -0.000) 5.789 15.930 ( -6.523 6.523 -0.000) 9.225 15.936 ( -6.630 6.630 -0.000) 9.377 16.573 ( 0.880 -0.880 0.000) 1.244 17.366 ( -0.863 0.863 -0.000) 1.220 17.400 ( 0.843 -0.843 0.000) 1.192 17.540 ( -2.275 2.275 -0.000) 3.217 18.745 ( -0.622 0.622 -0.000) 0.880 ======================= Grid point 353 (105/112) ======================= q-point: ( 0.49 -0.34 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -0.000 0.036 2.919) 2.919 1.881 ( -0.000 10.014 -2.425) 10.303 1.990 ( 0.000 -1.100 -4.953) 5.074 2.519 ( 0.000 5.767 -5.780) 8.165 2.750 ( 0.000 1.991 -3.547) 4.067 2.778 ( -0.000 2.500 0.425) 2.536 2.779 ( -0.000 3.851 -1.026) 3.985 3.048 ( 0.000 -7.628 1.135) 7.712 3.344 ( -0.000 7.388 -0.330) 7.395 3.755 ( -0.000 1.810 7.514) 7.729 4.109 ( -0.000 7.238 -0.714) 7.273 4.157 ( -0.000 2.290 -0.934) 2.473 5.248 ( -0.000 0.900 59.654) 59.661 6.981 ( -0.000 -1.756 13.133) 13.250 7.399 ( -0.000 -3.743 8.995) 9.743 7.422 ( -0.000 -5.888 10.002) 11.607 9.048 ( -0.000 -4.314 23.875) 24.262 9.052 ( -0.000 -4.757 23.013) 23.499 9.717 ( 0.000 1.266 -2.621) 2.911 9.949 ( 0.000 -0.257 -2.415) 2.429 9.958 ( 0.000 -1.225 -2.087) 2.420 10.172 ( 0.000 0.396 -7.702) 7.712 11.483 ( -0.000 -8.384 10.648) 13.553 12.084 ( -0.000 0.190 29.518) 29.519 13.043 ( 0.000 7.466 -11.363) 13.596 13.215 ( -0.000 4.370 -3.493) 5.594 13.528 ( 0.000 -0.753 -15.694) 15.712 13.747 ( 0.000 -17.824 -15.392) 23.550 15.085 ( -0.000 4.875 -4.739) 6.799 15.596 ( 0.000 5.976 -13.622) 14.875 15.596 ( 0.000 6.038 -13.063) 14.391 16.018 ( 0.000 -0.091 -17.411) 17.411 17.470 ( -0.000 2.217 0.029) 2.217 17.481 ( -0.000 1.268 0.228) 1.288 18.018 ( -0.000 -1.156 11.692) 11.749 18.543 ( 0.000 1.111 -9.924) 9.986 ======================= Grid point 359 (106/112) ======================= q-point: ( 0.65 -0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 0.000 -0.000 -4.713) 4.713 1.758 ( 0.000 -0.000 -4.713) 4.713 1.873 ( -0.000 0.000 1.713) 1.713 2.261 ( 0.000 -0.000 -8.066) 8.066 2.604 ( 0.000 -0.000 -2.804) 2.804 2.741 ( 0.000 -0.000 -2.802) 2.802 2.741 ( 0.000 -0.000 -2.802) 2.802 3.099 ( -0.000 0.000 3.827) 3.827 3.370 ( 0.000 -0.000 -1.844) 1.844 3.963 ( -0.000 0.000 1.344) 1.344 4.094 ( 0.000 -0.000 -2.534) 2.534 4.094 ( 0.000 -0.000 -2.534) 2.534 7.680 ( -0.000 0.000 20.552) 20.552 7.828 ( -0.000 0.000 13.846) 13.846 7.828 ( -0.000 0.000 13.846) 13.846 8.005 ( -0.000 0.000 66.142) 66.142 9.472 ( 0.000 -0.000 -6.307) 6.307 9.472 ( 0.000 -0.000 -6.307) 6.307 9.715 ( 0.000 -0.000 -14.699) 14.699 9.942 ( -0.000 0.000 13.495) 13.495 10.455 ( -0.000 0.000 25.394) 25.394 10.455 ( -0.000 0.000 25.394) 25.394 11.999 ( -0.000 0.000 16.936) 16.936 12.493 ( 0.000 -0.000 -17.835) 17.835 12.832 ( 0.000 -0.000 -3.385) 3.385 12.848 ( 0.000 -0.000 -10.837) 10.837 12.848 ( 0.000 -0.000 -10.837) 10.837 13.629 ( -0.000 0.000 22.617) 22.617 14.857 ( 0.000 -0.000 -8.550) 8.550 15.203 ( 0.000 -0.000 -8.040) 8.040 15.203 ( 0.000 -0.000 -8.040) 8.040 15.416 ( 0.000 -0.000 -10.896) 10.896 17.242 ( 0.000 -0.000 -12.319) 12.319 17.242 ( 0.000 -0.000 -12.319) 12.319 18.063 ( 0.000 -0.000 -11.752) 11.752 18.173 ( 0.000 -0.000 -3.670) 3.670 ======================= Grid point 399 (107/112) ======================= q-point: ( 0.46 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -0.000 -0.053 1.897) 1.898 1.877 ( -0.000 17.335 3.035) 17.598 2.075 ( 0.000 -0.881 -3.074) 3.197 2.614 ( -0.000 8.298 -3.504) 9.008 2.764 ( -0.000 2.240 0.860) 2.399 2.782 ( -0.000 5.305 -0.349) 5.316 2.821 ( 0.000 1.353 -2.187) 2.571 3.032 ( 0.000 -9.151 0.489) 9.164 3.349 ( -0.000 7.826 -0.130) 7.827 3.466 ( -0.000 -18.046 20.654) 27.427 4.121 ( -0.000 9.056 -0.463) 9.068 4.152 ( -0.000 6.012 2.500) 6.511 4.394 ( -0.000 10.385 19.588) 22.171 6.774 ( -0.000 -2.472 7.010) 7.433 7.252 ( -0.000 -2.157 5.266) 5.691 7.258 ( -0.000 -2.722 5.894) 6.492 8.641 ( -0.000 -7.423 14.552) 16.336 8.659 ( -0.000 -9.232 14.072) 16.830 9.827 ( 0.000 2.820 -7.001) 7.547 10.003 ( 0.000 -0.109 -2.192) 2.194 10.010 ( 0.000 -0.890 -2.199) 2.373 10.290 ( 0.000 0.513 -3.895) 3.928 11.314 ( 0.000 -9.399 5.725) 11.006 11.537 ( -0.000 -2.240 22.186) 22.299 13.197 ( -0.000 10.145 -3.848) 10.850 13.302 ( 0.000 1.885 -4.557) 4.932 13.784 ( 0.000 0.866 -8.817) 8.860 14.003 ( 0.000 -17.917 -8.958) 20.032 15.158 ( -0.000 4.659 -2.438) 5.259 15.849 ( 0.000 8.224 -10.788) 13.565 15.877 ( 0.000 5.134 -12.307) 13.335 16.370 ( 0.000 -0.271 -15.966) 15.968 17.427 ( -0.000 0.964 3.342) 3.478 17.430 ( -0.000 0.719 3.708) 3.777 17.741 ( -0.000 0.621 14.030) 14.043 18.698 ( 0.000 0.812 -5.191) 5.255 ======================= Grid point 405 (108/112) ======================= q-point: ( 0.62 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -0.000 0.000 3.063) 3.063 1.867 ( 0.000 -0.000 -5.740) 5.740 1.867 ( 0.000 -0.000 -5.740) 5.740 2.425 ( 0.000 -0.000 -7.902) 7.902 2.679 ( 0.000 -0.000 -4.277) 4.277 2.789 ( 0.000 -0.000 -1.906) 1.906 2.789 ( 0.000 -0.000 -1.906) 1.906 3.024 ( -0.000 0.000 3.576) 3.576 3.399 ( 0.000 -0.000 -1.092) 1.092 3.913 ( -0.000 0.000 4.032) 4.032 4.139 ( 0.000 -0.000 -2.033) 2.033 4.139 ( 0.000 -0.000 -2.033) 2.033 6.604 ( -0.000 0.000 69.873) 69.873 7.286 ( -0.000 0.000 17.917) 17.917 7.567 ( -0.000 0.000 11.622) 11.622 7.567 ( -0.000 0.000 11.622) 11.622 9.461 ( -0.000 0.000 12.499) 12.499 9.461 ( -0.000 0.000 12.499) 12.499 9.748 ( -0.000 0.000 5.320) 5.320 9.981 ( 0.000 -0.000 -11.406) 11.406 9.997 ( -0.000 0.000 12.930) 12.930 9.997 ( -0.000 0.000 12.930) 12.930 11.673 ( -0.000 0.000 14.911) 14.911 12.663 ( -0.000 0.000 22.112) 22.112 12.840 ( 0.000 -0.000 -15.835) 15.835 13.157 ( 0.000 -0.000 -18.027) 18.027 13.157 ( 0.000 -0.000 -18.027) 18.027 13.309 ( -0.000 0.000 5.469) 5.469 15.013 ( 0.000 -0.000 -6.737) 6.737 15.397 ( 0.000 -0.000 -11.118) 11.118 15.397 ( 0.000 -0.000 -11.118) 11.118 15.681 ( 0.000 -0.000 -14.971) 14.971 17.434 ( 0.000 -0.000 -6.269) 6.269 17.434 ( 0.000 -0.000 -6.269) 6.269 18.168 ( -0.000 0.000 4.185) 4.185 18.320 ( 0.000 -0.000 -12.733) 12.733 ======================= Grid point 445 (109/112) ======================= q-point: ( 0.42 -0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 0.000 -0.027 0.000) 0.027 1.816 ( -0.000 22.987 -0.000) 22.987 2.107 ( 0.000 -0.884 0.000) 0.884 2.654 ( -0.000 10.417 -0.000) 10.417 2.751 ( -0.000 0.940 -0.000) 0.940 2.785 ( -0.000 5.575 -0.000) 5.575 2.844 ( -0.000 1.354 -0.000) 1.354 3.027 ( 0.000 -9.701 0.000) 9.701 3.196 ( 0.000 -28.823 0.000) 28.823 3.350 ( -0.000 7.976 -0.000) 7.976 4.098 ( -0.000 14.818 -0.000) 14.818 4.126 ( -0.000 9.793 -0.000) 9.793 4.269 ( -0.000 7.194 -0.000) 7.194 6.702 ( 0.000 -2.816 0.000) 2.816 7.196 ( 0.000 -1.133 0.000) 1.133 7.196 ( 0.000 -1.186 0.000) 1.186 8.490 ( 0.000 -8.859 0.000) 8.859 8.513 ( 0.000 -11.163 0.000) 11.163 9.920 ( -0.000 4.050 -0.000) 4.050 10.026 ( 0.000 -0.052 0.000) 0.052 10.033 ( 0.000 -0.866 0.000) 0.866 10.330 ( -0.000 0.556 -0.000) 0.556 11.255 ( 0.000 -9.772 0.000) 9.772 11.287 ( 0.000 -3.725 0.000) 3.725 13.231 ( -0.000 10.670 -0.000) 10.670 13.355 ( -0.000 1.266 -0.000) 1.266 13.874 ( -0.000 1.425 -0.000) 1.425 14.095 ( 0.000 -17.840 0.000) 17.840 15.183 ( -0.000 4.568 -0.000) 4.568 15.972 ( -0.000 9.485 -0.000) 9.485 16.019 ( -0.000 4.300 -0.000) 4.300 16.565 ( 0.000 -0.985 0.000) 0.985 17.383 ( -0.000 0.060 -0.000) 0.060 17.384 ( 0.000 -0.050 0.000) 0.050 17.561 ( -0.000 2.793 -0.000) 2.793 18.751 ( -0.000 0.702 -0.000) 0.702 ======================= Grid point 451 (110/112) ======================= q-point: ( 0.58 -0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -0.000 0.000 3.073) 3.073 1.980 ( 0.000 -0.000 -5.181) 5.181 1.980 ( 0.000 -0.000 -5.181) 5.181 2.576 ( 0.000 -0.000 -6.799) 6.799 2.766 ( 0.000 -0.000 -3.990) 3.990 2.819 ( 0.000 -0.000 -1.074) 1.074 2.819 ( 0.000 -0.000 -1.074) 1.074 2.954 ( -0.000 0.000 3.272) 3.272 3.416 ( 0.000 -0.000 -0.584) 0.584 3.756 ( -0.000 0.000 13.788) 13.788 4.178 ( 0.000 -0.000 -1.750) 1.750 4.178 ( 0.000 -0.000 -1.750) 1.750 5.274 ( -0.000 0.000 56.738) 56.738 6.964 ( -0.000 0.000 13.497) 13.497 7.362 ( -0.000 0.000 8.416) 8.416 7.362 ( -0.000 0.000 8.416) 8.416 9.007 ( -0.000 0.000 25.460) 25.460 9.007 ( -0.000 0.000 25.460) 25.460 9.728 ( 0.000 -0.000 -3.166) 3.166 9.946 ( 0.000 -0.000 -2.515) 2.515 9.946 ( 0.000 -0.000 -2.515) 2.515 10.176 ( 0.000 -0.000 -7.775) 7.775 11.404 ( -0.000 0.000 11.235) 11.235 12.086 ( -0.000 0.000 30.694) 30.694 13.122 ( 0.000 -0.000 -11.592) 11.592 13.304 ( 0.000 -0.000 -2.151) 2.151 13.522 ( 0.000 -0.000 -16.649) 16.649 13.522 ( 0.000 -0.000 -16.649) 16.649 15.129 ( 0.000 -0.000 -4.636) 4.636 15.652 ( 0.000 -0.000 -13.767) 13.767 15.652 ( 0.000 -0.000 -13.767) 13.767 16.015 ( 0.000 -0.000 -17.590) 17.590 17.492 ( -0.000 0.000 0.466) 0.466 17.492 ( -0.000 0.000 0.466) 0.466 18.008 ( -0.000 0.000 11.175) 11.175 18.553 ( 0.000 -0.000 -9.750) 9.750 ======================= Grid point 496 (111/112) ======================= q-point: ( 0.54 -0.46 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -0.000 0.000 1.892) 1.892 2.067 ( 0.000 -0.000 -3.082) 3.082 2.067 ( 0.000 -0.000 -3.082) 3.082 2.696 ( 0.000 -0.000 -4.958) 4.958 2.832 ( 0.000 -0.000 -2.358) 2.358 2.834 ( 0.000 -0.000 -0.437) 0.437 2.834 ( 0.000 -0.000 -0.437) 0.437 2.891 ( -0.000 0.000 2.978) 2.978 3.258 ( -0.000 0.000 31.628) 31.628 3.424 ( 0.000 -0.000 -0.248) 0.248 4.208 ( 0.000 -0.000 -1.154) 1.154 4.208 ( 0.000 -0.000 -1.154) 1.154 4.507 ( -0.000 0.000 18.133) 18.133 6.750 ( -0.000 0.000 7.324) 7.324 7.230 ( -0.000 0.000 4.434) 4.434 7.230 ( -0.000 0.000 4.434) 4.434 8.570 ( -0.000 0.000 15.832) 15.832 8.570 ( -0.000 0.000 15.832) 15.832 9.852 ( 0.000 -0.000 -7.835) 7.835 10.002 ( 0.000 -0.000 -2.242) 2.242 10.002 ( 0.000 -0.000 -2.242) 2.242 10.296 ( 0.000 -0.000 -3.937) 3.937 11.226 ( -0.000 0.000 6.062) 6.062 11.515 ( -0.000 0.000 23.252) 23.252 13.303 ( 0.000 -0.000 -6.102) 6.102 13.350 ( 0.000 -0.000 -1.878) 1.878 13.793 ( 0.000 -0.000 -9.329) 9.329 13.793 ( 0.000 -0.000 -9.329) 9.329 15.200 ( 0.000 -0.000 -2.359) 2.359 15.926 ( 0.000 -0.000 -11.777) 11.777 15.926 ( 0.000 -0.000 -11.777) 11.777 16.367 ( 0.000 -0.000 -15.676) 15.676 17.436 ( -0.000 0.000 4.016) 4.016 17.436 ( -0.000 0.000 4.016) 4.016 17.748 ( -0.000 0.000 12.917) 12.917 18.706 ( 0.000 -0.000 -5.092) 5.092 ======================= Grid point 542 (112/112) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -0.000 0.000 -0.000) 0.000 2.099 ( 0.000 -0.000 0.000) 0.000 2.099 ( 0.000 -0.000 0.000) 0.000 2.759 ( -0.000 0.000 -0.000) 0.000 2.838 ( 0.000 -0.000 0.000) 0.000 2.838 ( 0.000 -0.000 0.000) 0.000 2.848 ( -0.000 0.000 -0.000) 0.000 2.857 ( -0.000 0.000 -0.000) 0.000 2.859 ( -0.000 0.000 -0.000) 0.000 3.426 ( -0.000 0.000 -0.000) 0.000 4.221 ( 0.000 0.000 -0.000) 0.000 4.221 ( -0.000 0.000 -0.000) 0.000 4.355 ( 0.000 -0.000 0.000) 0.000 6.674 ( -0.000 0.000 -0.000) 0.000 7.185 ( 0.000 0.000 -0.000) 0.000 7.185 ( -0.000 0.000 -0.000) 0.000 8.405 ( 0.000 0.000 -0.000) 0.000 8.405 ( 0.000 0.000 -0.000) 0.000 9.957 ( -0.000 0.000 -0.000) 0.000 10.026 ( -0.000 0.000 -0.000) 0.000 10.026 ( -0.000 0.000 -0.000) 0.000 10.336 ( -0.000 0.000 -0.000) 0.000 11.164 ( -0.000 0.000 -0.000) 0.000 11.251 ( -0.000 0.000 -0.000) 0.000 13.366 ( -0.000 0.000 -0.000) 0.000 13.370 ( -0.000 0.000 -0.000) 0.000 13.889 ( 0.000 0.000 -0.000) 0.000 13.889 ( -0.000 0.000 -0.000) 0.000 15.225 ( -0.000 0.000 -0.000) 0.000 16.061 ( -0.000 0.000 -0.000) 0.000 16.061 ( -0.000 0.000 -0.000) 0.000 16.556 ( -0.000 0.000 -0.000) 0.000 17.383 ( -0.000 0.000 -0.000) 0.000 17.383 ( -0.000 0.000 -0.000) 0.000 17.586 ( -0.000 0.000 -0.000) 0.000 18.758 ( -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 3/33696 10.0 1143.945 1143.945 1114.532 0.000 -0.000 -0.000 3/33696 20.0 292.190 292.190 271.792 0.000 -0.000 -0.000 3/33696 30.0 130.214 130.214 115.560 0.000 -0.000 -0.000 3/33696 40.0 82.177 82.177 71.087 0.000 -0.000 -0.000 3/33696 50.0 60.462 60.462 52.734 -0.000 -0.000 -0.000 3/33696 60.0 47.493 47.493 42.752 -0.000 -0.000 -0.000 3/33696 70.0 38.467 38.467 36.088 -0.000 -0.000 -0.000 3/33696 80.0 31.740 31.740 31.058 -0.000 -0.000 -0.000 3/33696 90.0 26.583 26.583 27.032 0.000 -0.000 -0.000 3/33696 100.0 22.574 22.574 23.731 0.000 -0.000 -0.000 3/33696 110.0 19.425 19.425 21.001 0.000 -0.000 -0.000 3/33696 120.0 16.925 16.925 18.731 0.000 -0.000 -0.000 3/33696 130.0 14.919 14.919 16.836 0.000 -0.000 -0.000 3/33696 140.0 13.290 13.290 15.244 0.000 -0.000 -0.000 3/33696 150.0 11.952 11.952 13.900 0.000 -0.000 -0.000 3/33696 160.0 10.841 10.841 12.757 0.000 -0.000 -0.000 3/33696 170.0 9.909 9.909 11.778 0.000 -0.000 -0.000 3/33696 180.0 9.117 9.117 10.932 0.000 -0.000 -0.000 3/33696 190.0 8.439 8.439 10.197 0.000 -0.000 -0.000 3/33696 200.0 7.853 7.853 9.553 0.000 -0.000 -0.000 3/33696 210.0 7.343 7.343 8.985 0.000 -0.000 -0.000 3/33696 220.0 6.895 6.895 8.481 0.000 -0.000 -0.000 3/33696 230.0 6.498 6.498 8.032 0.000 -0.000 -0.000 3/33696 240.0 6.146 6.146 7.629 0.000 -0.000 -0.000 3/33696 250.0 5.830 5.830 7.265 0.000 -0.000 -0.000 3/33696 260.0 5.546 5.546 6.935 0.000 -0.000 -0.000 3/33696 270.0 5.289 5.289 6.634 0.000 -0.000 -0.000 3/33696 280.0 5.055 5.055 6.360 0.000 -0.000 -0.000 3/33696 290.0 4.842 4.842 6.108 0.000 -0.000 -0.000 3/33696 300.0 4.646 4.646 5.876 0.000 -0.000 -0.000 3/33696 310.0 4.466 4.466 5.661 0.000 -0.000 -0.000 3/33696 320.0 4.300 4.300 5.462 0.000 -0.000 -0.000 3/33696 330.0 4.147 4.147 5.277 0.000 -0.000 -0.000 3/33696 340.0 4.004 4.004 5.105 0.000 -0.000 -0.000 3/33696 350.0 3.871 3.871 4.944 0.000 -0.000 -0.000 3/33696 360.0 3.748 3.748 4.793 0.000 -0.000 -0.000 3/33696 370.0 3.632 3.632 4.652 0.000 -0.000 -0.000 3/33696 380.0 3.523 3.523 4.518 0.000 -0.000 -0.000 3/33696 390.0 3.421 3.421 4.393 0.000 -0.000 -0.000 3/33696 400.0 3.324 3.324 4.274 0.000 -0.000 -0.000 3/33696 410.0 3.234 3.234 4.162 0.000 -0.000 -0.000 3/33696 420.0 3.148 3.148 4.056 0.000 -0.000 -0.000 3/33696 430.0 3.067 3.067 3.956 0.000 -0.000 -0.000 3/33696 440.0 2.990 2.990 3.860 0.000 -0.000 -0.000 3/33696 450.0 2.917 2.917 3.769 0.000 -0.000 -0.000 3/33696 460.0 2.847 2.847 3.682 0.000 -0.000 -0.000 3/33696 470.0 2.781 2.781 3.599 0.000 -0.000 -0.000 3/33696 480.0 2.718 2.718 3.521 0.000 -0.000 -0.000 3/33696 490.0 2.658 2.658 3.445 0.000 -0.000 -0.000 3/33696 500.0 2.600 2.600 3.373 0.000 -0.000 -0.000 3/33696 510.0 2.545 2.545 3.304 0.000 -0.000 -0.000 3/33696 520.0 2.493 2.493 3.237 0.000 -0.000 -0.000 3/33696 530.0 2.442 2.442 3.174 0.000 -0.000 -0.000 3/33696 540.0 2.394 2.394 3.112 0.000 -0.000 -0.000 3/33696 550.0 2.347 2.347 3.054 0.000 -0.000 -0.000 3/33696 560.0 2.303 2.303 2.997 0.000 -0.000 -0.000 3/33696 570.0 2.260 2.260 2.943 0.000 -0.000 -0.000 3/33696 580.0 2.219 2.219 2.890 0.000 -0.000 -0.000 3/33696 590.0 2.179 2.179 2.840 0.000 -0.000 -0.000 3/33696 600.0 2.140 2.140 2.791 0.000 -0.000 -0.000 3/33696 610.0 2.103 2.103 2.744 0.000 -0.000 -0.000 3/33696 620.0 2.068 2.068 2.698 0.000 -0.000 -0.000 3/33696 630.0 2.033 2.033 2.654 0.000 -0.000 -0.000 3/33696 640.0 2.000 2.000 2.612 0.000 -0.000 -0.000 3/33696 650.0 1.968 1.968 2.570 0.000 -0.000 -0.000 3/33696 660.0 1.936 1.936 2.530 0.000 -0.000 -0.000 3/33696 670.0 1.906 1.906 2.492 0.000 -0.000 -0.000 3/33696 680.0 1.877 1.877 2.454 0.000 -0.000 -0.000 3/33696 690.0 1.849 1.849 2.418 0.000 -0.000 -0.000 3/33696 700.0 1.821 1.821 2.383 0.000 -0.000 -0.000 3/33696 710.0 1.795 1.795 2.348 0.000 -0.000 -0.000 3/33696 720.0 1.769 1.769 2.315 0.000 -0.000 -0.000 3/33696 730.0 1.744 1.744 2.283 0.000 -0.000 -0.000 3/33696 740.0 1.719 1.719 2.251 0.000 -0.000 -0.000 3/33696 750.0 1.695 1.695 2.221 0.000 -0.000 -0.000 3/33696 760.0 1.672 1.672 2.191 0.000 -0.000 -0.000 3/33696 770.0 1.650 1.650 2.162 0.000 -0.000 -0.000 3/33696 780.0 1.628 1.628 2.134 0.000 -0.000 -0.000 3/33696 790.0 1.607 1.607 2.106 0.000 -0.000 -0.000 3/33696 800.0 1.586 1.586 2.080 0.000 -0.000 -0.000 3/33696 810.0 1.566 1.566 2.054 0.000 -0.000 -0.000 3/33696 820.0 1.546 1.546 2.028 0.000 -0.000 -0.000 3/33696 830.0 1.527 1.527 2.004 0.000 -0.000 -0.000 3/33696 840.0 1.508 1.508 1.979 0.000 -0.000 -0.000 3/33696 850.0 1.490 1.490 1.956 0.000 -0.000 -0.000 3/33696 860.0 1.472 1.472 1.933 0.000 -0.000 -0.000 3/33696 870.0 1.455 1.455 1.910 0.000 -0.000 -0.000 3/33696 880.0 1.438 1.438 1.888 0.000 -0.000 -0.000 3/33696 890.0 1.422 1.422 1.867 0.000 -0.000 -0.000 3/33696 900.0 1.405 1.405 1.846 0.000 -0.000 -0.000 3/33696 910.0 1.390 1.390 1.825 0.000 -0.000 -0.000 3/33696 920.0 1.374 1.374 1.805 0.000 -0.000 -0.000 3/33696 930.0 1.359 1.359 1.786 0.000 -0.000 -0.000 3/33696 940.0 1.344 1.344 1.767 0.000 -0.000 -0.000 3/33696 950.0 1.330 1.330 1.748 0.000 -0.000 -0.000 3/33696 960.0 1.316 1.316 1.729 0.000 -0.000 -0.000 3/33696 970.0 1.302 1.302 1.711 0.000 -0.000 -0.000 3/33696 980.0 1.288 1.288 1.694 0.000 -0.000 -0.000 3/33696 990.0 1.275 1.275 1.677 0.000 -0.000 -0.000 3/33696 1000.0 1.262 1.262 1.660 0.000 -0.000 -0.000 3/33696 Thermal conductivity related properties were written into "kappa-m16156.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:46:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|