----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:42:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.953690265884469 1.705313870111172 9.298216583333321 b -2.953690265884462 1.705313870111172 9.298216583333321 c 0.000000000000003 -3.410627740222348 9.298216583333321 Atomic positions (fractional): *1 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 *2 K 0.36455508966969 0.36455508966969 0.36455508966969 39.098 3 K 0.63544491033031 0.63544491033031 0.63544491033031 39.098 *4 K 0.21712321950318 0.21712321950318 0.21712321950318 39.098 5 K 0.78287678049682 0.78287678049682 0.78287678049682 39.098 *6 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 *7 Sb 0.08853319820770 0.08853319820770 0.08853319820770 121.760 8 Sb 0.91146680179230 0.91146680179230 0.91146680179230 121.760 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.907380531768931 0.000000000000000 0.000000000000000 b -2.953690265884465 5.115941610333520 0.000000000000000 c 0.000000000000000 0.000000000000000 27.894649749999996 Atomic positions (fractional): *1 K 0.33333333333333 0.66666666666667 0.16666666666667 39.098 > 1 *2 K 0.33333333333333 0.66666666666667 0.03122175633636 39.098 > 2 3 K 0.33333333333333 0.66666666666667 0.30211157699698 39.098 > 3 *4 K 0.00000000000000 0.00000000000000 0.21712321950318 39.098 > 4 5 K 0.66666666666667 0.33333333333333 0.11621011383016 39.098 > 5 6 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 1 7 K 0.00000000000000 0.00000000000000 0.36455508966969 39.098 > 2 8 K 0.00000000000000 0.00000000000000 0.63544491033031 39.098 > 3 9 K 0.66666666666667 0.33333333333333 0.55045655283651 39.098 > 4 10 K 0.33333333333333 0.66666666666667 0.44954344716349 39.098 > 5 11 K 0.66666666666667 0.33333333333333 0.83333333333333 39.098 > 1 12 K 0.66666666666667 0.33333333333333 0.69788842300302 39.098 > 2 13 K 0.66666666666667 0.33333333333333 0.96877824366364 39.098 > 3 14 K 0.33333333333333 0.66666666666667 0.88378988616984 39.098 > 4 15 K 0.00000000000000 0.00000000000000 0.78287678049682 39.098 > 5 *16 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 6 17 Cu 0.66666666666667 0.33333333333333 0.33333333333333 63.546 > 6 18 Cu 0.33333333333333 0.66666666666667 0.66666666666667 63.546 > 6 *19 Sb 0.00000000000000 0.00000000000000 0.08853319820770 121.760 > 7 20 Sb 0.66666666666667 0.33333333333333 0.24480013512564 121.760 > 8 21 Sb 0.66666666666667 0.33333333333333 0.42186653154103 121.760 > 7 22 Sb 0.33333333333333 0.66666666666667 0.57813346845897 121.760 > 8 23 Sb 0.33333333333333 0.66666666666667 0.75519986487436 121.760 > 7 24 Sb 0.00000000000000 0.00000000000000 0.91146680179230 121.760 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.814761063537862 0.000000000000000 0.000000000000000 b -5.907380531768930 10.231883220667040 0.000000000000000 c 0.000000000000000 0.000000000000000 27.894649749999996 Atomic positions (fractional): *1 K 0.16666666666667 0.33333333333333 0.16666666666667 39.098 > 1 2 K 0.66666666666667 0.33333333333333 0.16666666666667 39.098 > 1 3 K 0.16666666666667 0.83333333333333 0.16666666666667 39.098 > 1 4 K 0.66666666666667 0.83333333333333 0.16666666666667 39.098 > 1 *5 K 0.16666666666667 0.33333333333333 0.03122175633636 39.098 > 2 6 K 0.66666666666667 0.33333333333333 0.03122175633636 39.098 > 2 7 K 0.16666666666667 0.83333333333333 0.03122175633636 39.098 > 2 8 K 0.66666666666667 0.83333333333333 0.03122175633636 39.098 > 2 9 K 0.16666666666667 0.33333333333333 0.30211157699698 39.098 > 3 10 K 0.66666666666667 0.33333333333333 0.30211157699698 39.098 > 3 11 K 0.16666666666667 0.83333333333333 0.30211157699698 39.098 > 3 12 K 0.66666666666667 0.83333333333333 0.30211157699698 39.098 > 3 *13 K 0.00000000000000 0.00000000000000 0.21712321950318 39.098 > 4 14 K 0.50000000000000 0.00000000000000 0.21712321950318 39.098 > 4 15 K 0.00000000000000 0.50000000000000 0.21712321950318 39.098 > 4 16 K 0.50000000000000 0.50000000000000 0.21712321950318 39.098 > 4 17 K 0.33333333333333 0.16666666666667 0.11621011383016 39.098 > 5 18 K 0.83333333333333 0.16666666666667 0.11621011383016 39.098 > 5 19 K 0.33333333333333 0.66666666666667 0.11621011383016 39.098 > 5 20 K 0.83333333333333 0.66666666666667 0.11621011383016 39.098 > 5 21 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 1 22 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 1 23 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 1 24 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 1 25 K 0.00000000000000 0.00000000000000 0.36455508966969 39.098 > 2 26 K 0.50000000000000 0.00000000000000 0.36455508966969 39.098 > 2 27 K 0.00000000000000 0.50000000000000 0.36455508966969 39.098 > 2 28 K 0.50000000000000 0.50000000000000 0.36455508966969 39.098 > 2 29 K 0.00000000000000 0.00000000000000 0.63544491033031 39.098 > 3 30 K 0.50000000000000 0.00000000000000 0.63544491033031 39.098 > 3 31 K 0.00000000000000 0.50000000000000 0.63544491033031 39.098 > 3 32 K 0.50000000000000 0.50000000000000 0.63544491033031 39.098 > 3 33 K 0.33333333333333 0.16666666666667 0.55045655283651 39.098 > 4 34 K 0.83333333333333 0.16666666666667 0.55045655283651 39.098 > 4 35 K 0.33333333333333 0.66666666666667 0.55045655283651 39.098 > 4 36 K 0.83333333333333 0.66666666666667 0.55045655283651 39.098 > 4 37 K 0.16666666666667 0.33333333333333 0.44954344716349 39.098 > 5 38 K 0.66666666666667 0.33333333333333 0.44954344716349 39.098 > 5 39 K 0.16666666666667 0.83333333333333 0.44954344716349 39.098 > 5 40 K 0.66666666666667 0.83333333333333 0.44954344716349 39.098 > 5 41 K 0.33333333333333 0.16666666666667 0.83333333333333 39.098 > 1 42 K 0.83333333333333 0.16666666666667 0.83333333333333 39.098 > 1 43 K 0.33333333333333 0.66666666666667 0.83333333333333 39.098 > 1 44 K 0.83333333333333 0.66666666666667 0.83333333333333 39.098 > 1 45 K 0.33333333333333 0.16666666666667 0.69788842300302 39.098 > 2 46 K 0.83333333333333 0.16666666666667 0.69788842300302 39.098 > 2 47 K 0.33333333333333 0.66666666666667 0.69788842300302 39.098 > 2 48 K 0.83333333333333 0.66666666666667 0.69788842300302 39.098 > 2 49 K 0.33333333333333 0.16666666666667 0.96877824366364 39.098 > 3 50 K 0.83333333333333 0.16666666666667 0.96877824366364 39.098 > 3 51 K 0.33333333333333 0.66666666666667 0.96877824366364 39.098 > 3 52 K 0.83333333333333 0.66666666666667 0.96877824366364 39.098 > 3 53 K 0.16666666666667 0.33333333333333 0.88378988616984 39.098 > 4 54 K 0.66666666666667 0.33333333333333 0.88378988616984 39.098 > 4 55 K 0.16666666666667 0.83333333333333 0.88378988616984 39.098 > 4 56 K 0.66666666666667 0.83333333333333 0.88378988616984 39.098 > 4 57 K 0.00000000000000 0.00000000000000 0.78287678049682 39.098 > 5 58 K 0.50000000000000 0.00000000000000 0.78287678049682 39.098 > 5 59 K 0.00000000000000 0.50000000000000 0.78287678049682 39.098 > 5 60 K 0.50000000000000 0.50000000000000 0.78287678049682 39.098 > 5 *61 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 6 62 Cu 0.50000000000000 0.00000000000000 0.00000000000000 63.546 > 6 63 Cu 0.00000000000000 0.50000000000000 0.00000000000000 63.546 > 6 64 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 > 6 65 Cu 0.33333333333333 0.16666666666667 0.33333333333333 63.546 > 6 66 Cu 0.83333333333333 0.16666666666667 0.33333333333333 63.546 > 6 67 Cu 0.33333333333333 0.66666666666667 0.33333333333333 63.546 > 6 68 Cu 0.83333333333333 0.66666666666667 0.33333333333333 63.546 > 6 69 Cu 0.16666666666667 0.33333333333333 0.66666666666667 63.546 > 6 70 Cu 0.66666666666667 0.33333333333333 0.66666666666667 63.546 > 6 71 Cu 0.16666666666667 0.83333333333333 0.66666666666667 63.546 > 6 72 Cu 0.66666666666667 0.83333333333333 0.66666666666667 63.546 > 6 *73 Sb 0.00000000000000 0.00000000000000 0.08853319820770 121.760 > 7 74 Sb 0.50000000000000 0.00000000000000 0.08853319820770 121.760 > 7 75 Sb 0.00000000000000 0.50000000000000 0.08853319820770 121.760 > 7 76 Sb 0.50000000000000 0.50000000000000 0.08853319820770 121.760 > 7 77 Sb 0.33333333333333 0.16666666666667 0.24480013512564 121.760 > 8 78 Sb 0.83333333333333 0.16666666666667 0.24480013512564 121.760 > 8 79 Sb 0.33333333333333 0.66666666666667 0.24480013512564 121.760 > 8 80 Sb 0.83333333333333 0.66666666666667 0.24480013512564 121.760 > 8 81 Sb 0.33333333333333 0.16666666666667 0.42186653154103 121.760 > 7 82 Sb 0.83333333333333 0.16666666666667 0.42186653154103 121.760 > 7 83 Sb 0.33333333333333 0.66666666666667 0.42186653154103 121.760 > 7 84 Sb 0.83333333333333 0.66666666666667 0.42186653154103 121.760 > 7 85 Sb 0.16666666666667 0.33333333333333 0.57813346845897 121.760 > 8 86 Sb 0.66666666666667 0.33333333333333 0.57813346845897 121.760 > 8 87 Sb 0.16666666666667 0.83333333333333 0.57813346845897 121.760 > 8 88 Sb 0.66666666666667 0.83333333333333 0.57813346845897 121.760 > 8 89 Sb 0.16666666666667 0.33333333333333 0.75519986487436 121.760 > 7 90 Sb 0.66666666666667 0.33333333333333 0.75519986487436 121.760 > 7 91 Sb 0.16666666666667 0.83333333333333 0.75519986487436 121.760 > 7 92 Sb 0.66666666666667 0.83333333333333 0.75519986487436 121.760 > 7 93 Sb 0.00000000000000 0.00000000000000 0.91146680179230 121.760 > 8 94 Sb 0.50000000000000 0.00000000000000 0.91146680179230 121.760 > 8 95 Sb 0.00000000000000 0.50000000000000 0.91146680179230 121.760 > 8 96 Sb 0.50000000000000 0.50000000000000 0.91146680179230 121.760 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.4178889 0.0000000 0.0000000 0.0000000 6.4178889 0.0000000 0.0000000 0.0000000 8.4821936 -------------------------- Born effective charges -------------------------- 1 K 1.2549898 0.0000000 0.0000000 0.0000000 1.2549898 0.0000000 0.0000000 0.0000000 1.4534862 2 K 1.1712564 0.0000000 0.0000000 0.0000000 1.1712564 0.0000000 0.0000000 0.0000000 0.7707147 3 K 1.1712564 0.0000000 0.0000000 0.0000000 1.1712564 0.0000000 0.0000000 0.0000000 0.7707147 4 K 0.8008717 0.0000000 0.0000000 0.0000000 0.8008717 0.0000000 0.0000000 0.0000000 1.0589277 5 K 0.8008717 0.0000000 0.0000000 0.0000000 0.8008717 0.0000000 0.0000000 0.0000000 1.0589277 6 Cu -1.0620393 0.0000000 0.0000000 0.0000000 -1.0620393 0.0000000 0.0000000 0.0000000 1.5294776 7 Sb -2.0686034 -0.0000000 0.0000000 0.0000000 -2.0686034 0.0000000 0.0000000 0.0000000 -3.3211243 8 Sb -2.0686034 -0.0000000 0.0000000 0.0000000 -2.0686034 0.0000000 0.0000000 0.0000000 -3.3211243 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 4632/4632 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 383 Number of blocks in projector: 428 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 171 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 114 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 98 Use standard eigh solver. Tree of FC basis block matrices: - (383, 373), data: False |-- (98, 98), data: True |-- (114, 109), data: True |-- (171, 166), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 80 / 80 - Time: 0.210 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.217 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 4632/4632 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 383 Number of blocks in projector: 428 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 171 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 114 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 98 Use standard eigh solver. Tree of FC basis block matrices: - (383, 373), data: False |-- (98, 98), data: True |-- (114, 109), data: True |-- (171, 166), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:42:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:42:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.953690265884469 1.705313870111172 9.298216583333321 b -2.953690265884462 1.705313870111172 9.298216583333321 c 0.000000000000003 -3.410627740222348 9.298216583333321 Atomic positions (fractional): 1 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 2 K 0.36455508966969 0.36455508966969 0.36455508966969 39.098 3 K 0.63544491033031 0.63544491033031 0.63544491033031 39.098 4 K 0.21712321950318 0.21712321950318 0.21712321950318 39.098 5 K 0.78287678049682 0.78287678049682 0.78287678049682 39.098 6 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 7 Sb 0.08853319820770 0.08853319820770 0.08853319820770 121.760 8 Sb 0.91146680179230 0.91146680179230 0.91146680179230 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.814761063537862 0.000000000000000 0.000000000000000 b -5.907380531768930 10.231883220667040 0.000000000000000 c 0.000000000000000 0.000000000000000 27.894649749999996 Atomic positions (fractional): 1 K 0.16666666666667 0.33333333333333 0.16666666666667 39.098 > 1 2 K 0.66666666666667 0.33333333333333 0.16666666666667 39.098 > 1 3 K 0.16666666666667 0.83333333333333 0.16666666666667 39.098 > 1 4 K 0.66666666666667 0.83333333333333 0.16666666666667 39.098 > 1 5 K 0.16666666666667 0.33333333333333 0.03122175633636 39.098 > 5 6 K 0.66666666666667 0.33333333333333 0.03122175633636 39.098 > 5 7 K 0.16666666666667 0.83333333333333 0.03122175633636 39.098 > 5 8 K 0.66666666666667 0.83333333333333 0.03122175633636 39.098 > 5 9 K 0.16666666666667 0.33333333333333 0.30211157699698 39.098 > 9 10 K 0.66666666666667 0.33333333333333 0.30211157699698 39.098 > 9 11 K 0.16666666666667 0.83333333333333 0.30211157699698 39.098 > 9 12 K 0.66666666666667 0.83333333333333 0.30211157699698 39.098 > 9 13 K 0.00000000000000 0.00000000000000 0.21712321950318 39.098 > 13 14 K 0.50000000000000 0.00000000000000 0.21712321950318 39.098 > 13 15 K 0.00000000000000 0.50000000000000 0.21712321950318 39.098 > 13 16 K 0.50000000000000 0.50000000000000 0.21712321950318 39.098 > 13 17 K 0.33333333333333 0.16666666666667 0.11621011383016 39.098 > 17 18 K 0.83333333333333 0.16666666666667 0.11621011383016 39.098 > 17 19 K 0.33333333333333 0.66666666666667 0.11621011383016 39.098 > 17 20 K 0.83333333333333 0.66666666666667 0.11621011383016 39.098 > 17 21 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 1 22 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 1 23 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 1 24 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 1 25 K 0.00000000000000 0.00000000000000 0.36455508966969 39.098 > 5 26 K 0.50000000000000 0.00000000000000 0.36455508966969 39.098 > 5 27 K 0.00000000000000 0.50000000000000 0.36455508966969 39.098 > 5 28 K 0.50000000000000 0.50000000000000 0.36455508966969 39.098 > 5 29 K 0.00000000000000 0.00000000000000 0.63544491033031 39.098 > 9 30 K 0.50000000000000 0.00000000000000 0.63544491033031 39.098 > 9 31 K 0.00000000000000 0.50000000000000 0.63544491033031 39.098 > 9 32 K 0.50000000000000 0.50000000000000 0.63544491033031 39.098 > 9 33 K 0.33333333333333 0.16666666666667 0.55045655283651 39.098 > 13 34 K 0.83333333333333 0.16666666666667 0.55045655283651 39.098 > 13 35 K 0.33333333333333 0.66666666666667 0.55045655283651 39.098 > 13 36 K 0.83333333333333 0.66666666666667 0.55045655283651 39.098 > 13 37 K 0.16666666666667 0.33333333333333 0.44954344716349 39.098 > 17 38 K 0.66666666666667 0.33333333333333 0.44954344716349 39.098 > 17 39 K 0.16666666666667 0.83333333333333 0.44954344716349 39.098 > 17 40 K 0.66666666666667 0.83333333333333 0.44954344716349 39.098 > 17 41 K 0.33333333333333 0.16666666666667 0.83333333333333 39.098 > 1 42 K 0.83333333333333 0.16666666666667 0.83333333333333 39.098 > 1 43 K 0.33333333333333 0.66666666666667 0.83333333333333 39.098 > 1 44 K 0.83333333333333 0.66666666666667 0.83333333333333 39.098 > 1 45 K 0.33333333333333 0.16666666666667 0.69788842300302 39.098 > 5 46 K 0.83333333333333 0.16666666666667 0.69788842300302 39.098 > 5 47 K 0.33333333333333 0.66666666666667 0.69788842300302 39.098 > 5 48 K 0.83333333333333 0.66666666666667 0.69788842300302 39.098 > 5 49 K 0.33333333333333 0.16666666666667 0.96877824366364 39.098 > 9 50 K 0.83333333333333 0.16666666666667 0.96877824366364 39.098 > 9 51 K 0.33333333333333 0.66666666666667 0.96877824366364 39.098 > 9 52 K 0.83333333333333 0.66666666666667 0.96877824366364 39.098 > 9 53 K 0.16666666666667 0.33333333333333 0.88378988616984 39.098 > 13 54 K 0.66666666666667 0.33333333333333 0.88378988616984 39.098 > 13 55 K 0.16666666666667 0.83333333333333 0.88378988616984 39.098 > 13 56 K 0.66666666666667 0.83333333333333 0.88378988616984 39.098 > 13 57 K 0.00000000000000 0.00000000000000 0.78287678049682 39.098 > 17 58 K 0.50000000000000 0.00000000000000 0.78287678049682 39.098 > 17 59 K 0.00000000000000 0.50000000000000 0.78287678049682 39.098 > 17 60 K 0.50000000000000 0.50000000000000 0.78287678049682 39.098 > 17 61 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 61 62 Cu 0.50000000000000 0.00000000000000 0.00000000000000 63.546 > 61 63 Cu 0.00000000000000 0.50000000000000 0.00000000000000 63.546 > 61 64 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 > 61 65 Cu 0.33333333333333 0.16666666666667 0.33333333333333 63.546 > 61 66 Cu 0.83333333333333 0.16666666666667 0.33333333333333 63.546 > 61 67 Cu 0.33333333333333 0.66666666666667 0.33333333333333 63.546 > 61 68 Cu 0.83333333333333 0.66666666666667 0.33333333333333 63.546 > 61 69 Cu 0.16666666666667 0.33333333333333 0.66666666666667 63.546 > 61 70 Cu 0.66666666666667 0.33333333333333 0.66666666666667 63.546 > 61 71 Cu 0.16666666666667 0.83333333333333 0.66666666666667 63.546 > 61 72 Cu 0.66666666666667 0.83333333333333 0.66666666666667 63.546 > 61 73 Sb 0.00000000000000 0.00000000000000 0.08853319820770 121.760 > 73 74 Sb 0.50000000000000 0.00000000000000 0.08853319820770 121.760 > 73 75 Sb 0.00000000000000 0.50000000000000 0.08853319820770 121.760 > 73 76 Sb 0.50000000000000 0.50000000000000 0.08853319820770 121.760 > 73 77 Sb 0.33333333333333 0.16666666666667 0.24480013512564 121.760 > 77 78 Sb 0.83333333333333 0.16666666666667 0.24480013512564 121.760 > 77 79 Sb 0.33333333333333 0.66666666666667 0.24480013512564 121.760 > 77 80 Sb 0.83333333333333 0.66666666666667 0.24480013512564 121.760 > 77 81 Sb 0.33333333333333 0.16666666666667 0.42186653154103 121.760 > 73 82 Sb 0.83333333333333 0.16666666666667 0.42186653154103 121.760 > 73 83 Sb 0.33333333333333 0.66666666666667 0.42186653154103 121.760 > 73 84 Sb 0.83333333333333 0.66666666666667 0.42186653154103 121.760 > 73 85 Sb 0.16666666666667 0.33333333333333 0.57813346845897 121.760 > 77 86 Sb 0.66666666666667 0.33333333333333 0.57813346845897 121.760 > 77 87 Sb 0.16666666666667 0.83333333333333 0.57813346845897 121.760 > 77 88 Sb 0.66666666666667 0.83333333333333 0.57813346845897 121.760 > 77 89 Sb 0.16666666666667 0.33333333333333 0.75519986487436 121.760 > 73 90 Sb 0.66666666666667 0.33333333333333 0.75519986487436 121.760 > 73 91 Sb 0.16666666666667 0.83333333333333 0.75519986487436 121.760 > 73 92 Sb 0.66666666666667 0.83333333333333 0.75519986487436 121.760 > 73 93 Sb 0.00000000000000 0.00000000000000 0.91146680179230 121.760 > 77 94 Sb 0.50000000000000 0.00000000000000 0.91146680179230 121.760 > 77 95 Sb 0.00000000000000 0.50000000000000 0.91146680179230 121.760 > 77 96 Sb 0.50000000000000 0.50000000000000 0.91146680179230 121.760 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.4178889 0.0000000 0.0000000 0.0000000 6.4178889 0.0000000 0.0000000 0.0000000 8.4821936 -------------------------- Born effective charges -------------------------- 1 K 1.2549898 0.0000000 0.0000000 0.0000000 1.2549898 0.0000000 0.0000000 0.0000000 1.4534862 2 K 1.1712564 0.0000000 0.0000000 0.0000000 1.1712564 0.0000000 0.0000000 0.0000000 0.7707147 3 K 1.1712564 0.0000000 0.0000000 0.0000000 1.1712564 0.0000000 0.0000000 0.0000000 0.7707147 4 K 0.8008717 0.0000000 0.0000000 0.0000000 0.8008717 0.0000000 0.0000000 0.0000000 1.0589277 5 K 0.8008717 0.0000000 0.0000000 0.0000000 0.8008717 0.0000000 0.0000000 0.0000000 1.0589277 6 Cu -1.0620393 0.0000000 0.0000000 0.0000000 -1.0620393 0.0000000 0.0000000 0.0000000 1.5294776 7 Sb -2.0686034 -0.0000000 0.0000000 0.0000000 -2.0686034 0.0000000 0.0000000 0.0000000 -3.3211243 8 Sb -2.0686034 -0.0000000 0.0000000 0.0000000 -2.0686034 0.0000000 0.0000000 0.0000000 -3.3211243 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, 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[ 61, 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (yyy) 0.00000003 (yyy) 0.00000003 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:42:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:42:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.953690265884469 1.705313870111172 9.298216583333321 b -2.953690265884462 1.705313870111172 9.298216583333321 c 0.000000000000003 -3.410627740222348 9.298216583333321 Atomic positions (fractional): 1 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 2 K 0.36455508966969 0.36455508966969 0.36455508966969 39.098 3 K 0.63544491033031 0.63544491033031 0.63544491033031 39.098 4 K 0.21712321950318 0.21712321950318 0.21712321950318 39.098 5 K 0.78287678049682 0.78287678049682 0.78287678049682 39.098 6 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 7 Sb 0.08853319820770 0.08853319820770 0.08853319820770 121.760 8 Sb 0.91146680179230 0.91146680179230 0.91146680179230 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.814761063537862 0.000000000000000 0.000000000000000 b -5.907380531768930 10.231883220667040 0.000000000000000 c 0.000000000000000 0.000000000000000 27.894649749999996 Atomic positions (fractional): 1 K 0.16666666666667 0.33333333333333 0.16666666666667 39.098 > 1 2 K 0.66666666666667 0.33333333333333 0.16666666666667 39.098 > 1 3 K 0.16666666666667 0.83333333333333 0.16666666666667 39.098 > 1 4 K 0.66666666666667 0.83333333333333 0.16666666666667 39.098 > 1 5 K 0.16666666666667 0.33333333333333 0.03122175633636 39.098 > 5 6 K 0.66666666666667 0.33333333333333 0.03122175633636 39.098 > 5 7 K 0.16666666666667 0.83333333333333 0.03122175633636 39.098 > 5 8 K 0.66666666666667 0.83333333333333 0.03122175633636 39.098 > 5 9 K 0.16666666666667 0.33333333333333 0.30211157699698 39.098 > 9 10 K 0.66666666666667 0.33333333333333 0.30211157699698 39.098 > 9 11 K 0.16666666666667 0.83333333333333 0.30211157699698 39.098 > 9 12 K 0.66666666666667 0.83333333333333 0.30211157699698 39.098 > 9 13 K 0.00000000000000 0.00000000000000 0.21712321950318 39.098 > 13 14 K 0.50000000000000 0.00000000000000 0.21712321950318 39.098 > 13 15 K 0.00000000000000 0.50000000000000 0.21712321950318 39.098 > 13 16 K 0.50000000000000 0.50000000000000 0.21712321950318 39.098 > 13 17 K 0.33333333333333 0.16666666666667 0.11621011383016 39.098 > 17 18 K 0.83333333333333 0.16666666666667 0.11621011383016 39.098 > 17 19 K 0.33333333333333 0.66666666666667 0.11621011383016 39.098 > 17 20 K 0.83333333333333 0.66666666666667 0.11621011383016 39.098 > 17 21 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 1 22 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 1 23 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 1 24 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 1 25 K 0.00000000000000 0.00000000000000 0.36455508966969 39.098 > 5 26 K 0.50000000000000 0.00000000000000 0.36455508966969 39.098 > 5 27 K 0.00000000000000 0.50000000000000 0.36455508966969 39.098 > 5 28 K 0.50000000000000 0.50000000000000 0.36455508966969 39.098 > 5 29 K 0.00000000000000 0.00000000000000 0.63544491033031 39.098 > 9 30 K 0.50000000000000 0.00000000000000 0.63544491033031 39.098 > 9 31 K 0.00000000000000 0.50000000000000 0.63544491033031 39.098 > 9 32 K 0.50000000000000 0.50000000000000 0.63544491033031 39.098 > 9 33 K 0.33333333333333 0.16666666666667 0.55045655283651 39.098 > 13 34 K 0.83333333333333 0.16666666666667 0.55045655283651 39.098 > 13 35 K 0.33333333333333 0.66666666666667 0.55045655283651 39.098 > 13 36 K 0.83333333333333 0.66666666666667 0.55045655283651 39.098 > 13 37 K 0.16666666666667 0.33333333333333 0.44954344716349 39.098 > 17 38 K 0.66666666666667 0.33333333333333 0.44954344716349 39.098 > 17 39 K 0.16666666666667 0.83333333333333 0.44954344716349 39.098 > 17 40 K 0.66666666666667 0.83333333333333 0.44954344716349 39.098 > 17 41 K 0.33333333333333 0.16666666666667 0.83333333333333 39.098 > 1 42 K 0.83333333333333 0.16666666666667 0.83333333333333 39.098 > 1 43 K 0.33333333333333 0.66666666666667 0.83333333333333 39.098 > 1 44 K 0.83333333333333 0.66666666666667 0.83333333333333 39.098 > 1 45 K 0.33333333333333 0.16666666666667 0.69788842300302 39.098 > 5 46 K 0.83333333333333 0.16666666666667 0.69788842300302 39.098 > 5 47 K 0.33333333333333 0.66666666666667 0.69788842300302 39.098 > 5 48 K 0.83333333333333 0.66666666666667 0.69788842300302 39.098 > 5 49 K 0.33333333333333 0.16666666666667 0.96877824366364 39.098 > 9 50 K 0.83333333333333 0.16666666666667 0.96877824366364 39.098 > 9 51 K 0.33333333333333 0.66666666666667 0.96877824366364 39.098 > 9 52 K 0.83333333333333 0.66666666666667 0.96877824366364 39.098 > 9 53 K 0.16666666666667 0.33333333333333 0.88378988616984 39.098 > 13 54 K 0.66666666666667 0.33333333333333 0.88378988616984 39.098 > 13 55 K 0.16666666666667 0.83333333333333 0.88378988616984 39.098 > 13 56 K 0.66666666666667 0.83333333333333 0.88378988616984 39.098 > 13 57 K 0.00000000000000 0.00000000000000 0.78287678049682 39.098 > 17 58 K 0.50000000000000 0.00000000000000 0.78287678049682 39.098 > 17 59 K 0.00000000000000 0.50000000000000 0.78287678049682 39.098 > 17 60 K 0.50000000000000 0.50000000000000 0.78287678049682 39.098 > 17 61 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 61 62 Cu 0.50000000000000 0.00000000000000 0.00000000000000 63.546 > 61 63 Cu 0.00000000000000 0.50000000000000 0.00000000000000 63.546 > 61 64 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 > 61 65 Cu 0.33333333333333 0.16666666666667 0.33333333333333 63.546 > 61 66 Cu 0.83333333333333 0.16666666666667 0.33333333333333 63.546 > 61 67 Cu 0.33333333333333 0.66666666666667 0.33333333333333 63.546 > 61 68 Cu 0.83333333333333 0.66666666666667 0.33333333333333 63.546 > 61 69 Cu 0.16666666666667 0.33333333333333 0.66666666666667 63.546 > 61 70 Cu 0.66666666666667 0.33333333333333 0.66666666666667 63.546 > 61 71 Cu 0.16666666666667 0.83333333333333 0.66666666666667 63.546 > 61 72 Cu 0.66666666666667 0.83333333333333 0.66666666666667 63.546 > 61 73 Sb 0.00000000000000 0.00000000000000 0.08853319820770 121.760 > 73 74 Sb 0.50000000000000 0.00000000000000 0.08853319820770 121.760 > 73 75 Sb 0.00000000000000 0.50000000000000 0.08853319820770 121.760 > 73 76 Sb 0.50000000000000 0.50000000000000 0.08853319820770 121.760 > 73 77 Sb 0.33333333333333 0.16666666666667 0.24480013512564 121.760 > 77 78 Sb 0.83333333333333 0.16666666666667 0.24480013512564 121.760 > 77 79 Sb 0.33333333333333 0.66666666666667 0.24480013512564 121.760 > 77 80 Sb 0.83333333333333 0.66666666666667 0.24480013512564 121.760 > 77 81 Sb 0.33333333333333 0.16666666666667 0.42186653154103 121.760 > 73 82 Sb 0.83333333333333 0.16666666666667 0.42186653154103 121.760 > 73 83 Sb 0.33333333333333 0.66666666666667 0.42186653154103 121.760 > 73 84 Sb 0.83333333333333 0.66666666666667 0.42186653154103 121.760 > 73 85 Sb 0.16666666666667 0.33333333333333 0.57813346845897 121.760 > 77 86 Sb 0.66666666666667 0.33333333333333 0.57813346845897 121.760 > 77 87 Sb 0.16666666666667 0.83333333333333 0.57813346845897 121.760 > 77 88 Sb 0.66666666666667 0.83333333333333 0.57813346845897 121.760 > 77 89 Sb 0.16666666666667 0.33333333333333 0.75519986487436 121.760 > 73 90 Sb 0.66666666666667 0.33333333333333 0.75519986487436 121.760 > 73 91 Sb 0.16666666666667 0.83333333333333 0.75519986487436 121.760 > 73 92 Sb 0.66666666666667 0.83333333333333 0.75519986487436 121.760 > 73 93 Sb 0.00000000000000 0.00000000000000 0.91146680179230 121.760 > 77 94 Sb 0.50000000000000 0.00000000000000 0.91146680179230 121.760 > 77 95 Sb 0.00000000000000 0.50000000000000 0.91146680179230 121.760 > 77 96 Sb 0.50000000000000 0.50000000000000 0.91146680179230 121.760 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.4178889 0.0000000 0.0000000 0.0000000 6.4178889 0.0000000 0.0000000 0.0000000 8.4821936 -------------------------- Born effective charges -------------------------- 1 K 1.2549898 0.0000000 0.0000000 0.0000000 1.2549898 0.0000000 0.0000000 0.0000000 1.4534862 2 K 1.1712564 0.0000000 0.0000000 0.0000000 1.1712564 0.0000000 0.0000000 0.0000000 0.7707147 3 K 1.1712564 0.0000000 0.0000000 0.0000000 1.1712564 0.0000000 0.0000000 0.0000000 0.7707147 4 K 0.8008717 0.0000000 0.0000000 0.0000000 0.8008717 0.0000000 0.0000000 0.0000000 1.0589277 5 K 0.8008717 0.0000000 0.0000000 0.0000000 0.8008717 0.0000000 0.0000000 0.0000000 1.0589277 6 Cu -1.0620393 0.0000000 0.0000000 0.0000000 -1.0620393 0.0000000 0.0000000 0.0000000 1.5294776 7 Sb -2.0686034 -0.0000000 0.0000000 0.0000000 -2.0686034 0.0000000 0.0000000 0.0000000 -3.3211243 8 Sb -2.0686034 -0.0000000 0.0000000 0.0000000 -2.0686034 0.0000000 0.0000000 0.0000000 -3.3211243 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (yyy) 0.00000003 (yyy) 0.00000003 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.63, Number of G-points: 299, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 116 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 1.093 ( 0.000 0.000 0.000) 0.000 1.093 ( 0.000 0.000 0.000) 0.000 1.540 ( 0.000 0.000 0.000) 0.000 1.712 ( 0.000 0.000 0.000) 0.000 1.712 ( 0.000 0.000 0.000) 0.000 2.365 ( 0.000 0.000 0.000) 0.000 2.365 ( 0.000 0.000 0.000) 0.000 2.515 ( 0.000 0.000 0.000) 0.000 2.635 ( 0.000 0.000 0.000) 0.000 2.760 ( 0.000 0.000 0.000) 0.000 2.760 ( 0.000 0.000 0.000) 0.000 2.919 ( 0.000 0.000 0.000) 0.000 3.215 ( 0.000 0.000 0.000) 0.000 3.215 ( 0.000 0.000 0.000) 0.000 3.613 ( 0.000 0.000 0.000) 0.000 3.938 ( 0.000 0.000 0.000) 0.000 3.938 ( 0.000 0.000 0.000) 0.000 3.996 ( 0.000 0.000 0.000) 0.000 3.996 ( 0.000 0.000 0.000) 0.000 4.241 ( 0.000 0.000 0.000) 0.000 7.317 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.223 ( 7.192 4.152 18.978) 20.715 0.353 ( 15.650 9.035 -3.252) 18.361 0.680 ( 28.045 16.192 2.396) 32.472 1.072 ( -2.473 -1.428 4.817) 5.600 1.140 ( 5.506 3.179 -4.904) 8.029 1.545 ( -2.467 -1.424 8.119) 8.604 1.746 ( 3.756 2.169 -5.249) 6.809 1.782 ( 3.550 2.050 6.139) 7.382 2.341 ( -2.502 -1.445 2.339) 3.717 2.391 ( -8.615 -4.974 2.231) 10.195 2.572 ( 1.527 0.882 -9.970) 10.124 2.658 ( 0.457 0.264 6.787) 6.808 2.709 ( -4.004 -2.312 -0.329) 4.635 2.992 ( 5.168 2.984 -0.155) 5.970 3.098 ( -6.091 -3.516 -7.871) 10.555 3.228 ( 0.990 0.572 -0.248) 1.170 3.316 ( -4.176 -2.411 1.682) 5.107 3.576 ( -0.914 -0.528 -3.076) 3.252 3.913 ( -1.228 -0.709 -0.516) 1.509 4.024 ( 5.150 2.973 2.616) 6.497 4.040 ( 2.830 1.634 0.463) 3.301 4.084 ( -2.134 -1.232 -6.114) 6.592 4.242 ( -0.249 -0.144 1.247) 1.280 7.325 ( -0.792 -0.457 4.638) 4.727 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 7.804 4.505 16.304) 18.628 0.664 ( 11.679 6.743 -0.748) 13.507 1.037 ( -1.253 -0.723 4.704) 4.921 1.176 ( 13.649 7.881 -4.428) 16.371 1.389 ( 17.750 10.248 4.612) 21.009 1.510 ( -1.434 -0.828 1.115) 1.996 1.835 ( 5.946 3.433 -7.442) 10.126 1.901 ( 4.780 2.760 3.026) 6.294 2.186 ( -9.396 -5.425 2.750) 11.192 2.269 ( -4.887 -2.821 4.280) 7.082 2.570 ( 0.825 0.476 -7.189) 7.251 2.598 ( -5.357 -3.093 -0.478) 6.205 2.644 ( -3.867 -2.232 -0.097) 4.466 2.967 ( -2.791 -1.611 -0.375) 3.245 3.088 ( 0.616 0.356 0.051) 0.713 3.185 ( -4.598 -2.655 3.299) 6.251 3.247 ( 0.635 0.367 -0.300) 0.792 3.568 ( 0.379 0.219 -3.099) 3.130 3.891 ( -0.587 -0.339 -0.622) 0.920 4.006 ( -2.676 -1.545 -4.547) 5.497 4.109 ( 2.927 1.690 0.424) 3.406 4.119 ( 1.922 1.110 -1.275) 2.560 4.250 ( 0.787 0.454 3.907) 4.012 7.323 ( -0.483 -0.279 2.448) 2.510 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 6.501 3.753 14.085) 15.961 0.811 ( 0.334 0.193 5.710) 5.723 1.115 ( 8.000 4.619 -2.273) 9.513 1.365 ( 2.817 1.626 -3.736) 4.953 1.514 ( 4.563 2.634 5.373) 7.525 1.743 ( 6.060 3.499 -2.385) 7.393 1.953 ( 6.721 3.881 -7.120) 10.532 2.010 ( 7.182 4.147 -1.886) 8.505 2.068 ( -0.547 -0.316 4.507) 4.552 2.157 ( -6.252 -3.609 5.021) 8.793 2.459 ( -7.670 -4.429 -5.483) 10.417 2.474 ( -5.478 -3.163 0.168) 6.327 2.597 ( 0.525 0.303 -2.526) 2.597 2.923 ( -3.903 -2.254 2.972) 5.399 3.024 ( -1.732 -1.000 6.669) 6.962 3.185 ( 0.603 0.348 -4.005) 4.065 3.254 ( 0.149 0.086 -0.227) 0.285 3.563 ( 0.047 0.027 -1.072) 1.073 3.879 ( -0.287 -0.166 -0.631) 0.713 3.945 ( -1.330 -0.768 -2.789) 3.184 4.105 ( -1.411 -0.814 -3.706) 4.048 4.170 ( 2.289 1.321 0.308) 2.661 4.301 ( 1.599 0.923 4.502) 4.866 7.321 ( -0.341 -0.197 1.527) 1.577 ======================= Grid point 4 (5/116) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -1.800 -1.039 4.340) 4.812 0.840 ( 3.798 2.193 9.808) 10.744 1.298 ( 7.545 4.356 -2.968) 9.203 1.338 ( -1.510 -0.872 -3.906) 4.277 1.593 ( -2.315 -1.336 3.027) 4.038 1.832 ( 8.144 4.702 1.198) 9.479 2.037 ( -5.104 -2.947 3.475) 6.842 2.074 ( 0.096 0.055 -2.867) 2.869 2.082 ( 6.371 3.678 -5.090) 8.946 2.191 ( 1.725 0.996 -1.064) 2.258 2.308 ( -0.853 -0.493 -2.240) 2.447 2.352 ( -5.579 -3.221 1.574) 6.631 2.591 ( -0.759 -0.438 0.283) 0.921 2.851 ( -2.236 -1.291 1.111) 2.811 3.049 ( 0.439 0.254 8.977) 8.991 3.155 ( -0.842 -0.486 -7.417) 7.480 3.255 ( -0.017 -0.010 -0.119) 0.120 3.562 ( -0.109 -0.063 -0.074) 0.146 3.872 ( -0.170 -0.098 -0.417) 0.461 3.928 ( 0.198 0.114 -0.689) 0.726 4.056 ( -1.541 -0.890 -2.994) 3.483 4.211 ( 1.240 0.716 0.161) 1.441 4.339 ( 0.631 0.364 2.551) 2.652 7.319 ( -0.184 -0.106 0.765) 0.794 ======================= Grid point 5 (6/116) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 0.000 0.000 0.000) 0.000 0.904 ( 0.000 0.000 0.000) 0.000 1.309 ( 0.000 0.000 0.000) 0.000 1.386 ( 0.000 0.000 -0.000) 0.000 1.556 ( 0.000 0.000 0.000) 0.000 1.978 ( 0.000 0.000 0.000) 0.000 2.005 ( 0.000 0.000 -0.000) 0.000 2.032 ( 0.000 0.000 0.000) 0.000 2.135 ( 0.000 0.000 0.000) 0.000 2.181 ( 0.000 0.000 -0.000) 0.000 2.257 ( 0.000 0.000 0.000) 0.000 2.343 ( 0.000 0.000 0.000) 0.000 2.580 ( 0.000 0.000 0.000) 0.000 2.828 ( 0.000 0.000 0.000) 0.000 3.086 ( 0.000 0.000 -0.000) 0.000 3.118 ( 0.000 0.000 0.000) 0.000 3.254 ( 0.000 0.000 0.000) 0.000 3.559 ( 0.000 0.000 0.000) 0.000 3.869 ( 0.000 0.000 0.000) 0.000 3.934 ( 0.000 0.000 0.000) 0.000 4.029 ( 0.000 0.000 0.000) 0.000 4.226 ( 0.000 0.000 0.000) 0.000 4.350 ( 0.000 0.000 -0.000) 0.000 7.318 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/116) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( -0.000 6.516 30.229) 30.923 0.389 ( -0.000 16.789 3.119) 17.076 0.658 ( -0.000 32.996 -1.523) 33.031 1.013 ( 0.000 -3.629 -5.693) 6.751 1.180 ( -0.000 6.502 2.586) 6.997 1.558 ( -0.000 -7.397 8.177) 11.027 1.732 ( 0.000 1.810 -2.630) 3.193 1.818 ( -0.000 6.299 7.798) 10.024 2.305 ( 0.000 -4.368 -4.290) 6.123 2.415 ( -0.000 -9.224 5.800) 10.895 2.555 ( 0.000 2.856 -10.170) 10.563 2.675 ( -0.000 0.108 7.540) 7.541 2.714 ( 0.000 -4.462 0.402) 4.480 2.992 ( -0.000 5.935 -0.702) 5.977 3.152 ( -0.000 -6.484 1.974) 6.777 3.220 ( 0.000 -1.026 -13.042) 13.082 3.231 ( -0.000 1.230 0.232) 1.252 3.607 ( 0.000 -2.066 0.356) 2.096 3.917 ( 0.000 -1.589 0.254) 1.610 3.979 ( 0.000 4.886 -5.017) 7.003 4.039 ( -0.000 3.496 0.213) 3.503 4.082 ( 0.000 -0.580 -4.583) 4.619 4.252 ( -0.000 -0.141 3.159) 3.162 7.347 ( -0.000 -2.595 7.258) 7.708 ======================= Grid point 13 (8/116) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( 0.438 5.931 22.947) 23.705 0.665 ( 8.196 15.159 2.462) 17.408 0.944 ( 4.501 3.952 -3.205) 6.793 1.197 ( 12.489 18.565 1.377) 22.417 1.239 ( 3.611 6.153 3.324) 7.870 1.500 ( -0.863 -5.162 0.242) 5.239 1.776 ( 2.885 5.362 -5.357) 8.110 1.916 ( 0.494 5.915 6.008) 8.445 2.220 ( -2.633 -8.368 -3.051) 9.288 2.313 ( -3.162 -7.243 7.127) 10.642 2.549 ( -0.024 2.281 -8.354) 8.660 2.629 ( -3.117 -4.774 -0.038) 5.702 2.696 ( -1.811 -0.537 4.272) 4.671 3.003 ( -3.940 -1.788 -6.031) 7.422 3.091 ( 0.442 3.800 1.306) 4.042 3.121 ( 0.524 -7.990 2.261) 8.320 3.308 ( 0.656 -0.986 -0.249) 1.210 3.533 ( -2.211 -0.345 -2.436) 3.307 3.936 ( -0.591 0.647 -0.895) 1.253 3.998 ( 0.032 0.133 -7.018) 7.019 4.054 ( 1.999 0.863 0.672) 2.279 4.105 ( 1.707 2.210 -1.390) 3.119 4.262 ( 0.053 0.101 4.577) 4.579 7.341 ( -0.720 -1.112 4.151) 4.357 ======================= Grid point 14 (9/116) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 4.352 1.516 17.950) 18.532 0.942 ( 3.465 15.774 2.862) 16.402 1.007 ( 3.887 -1.444 1.024) 4.271 1.352 ( 5.535 8.163 0.978) 9.911 1.442 ( 1.141 -4.083 -2.999) 5.193 1.655 ( 12.459 12.089 2.192) 17.497 1.881 ( 4.672 6.671 -5.752) 9.970 1.968 ( 0.005 2.874 -2.288) 3.674 2.082 ( -1.966 -5.349 2.221) 6.116 2.224 ( -3.510 -5.524 6.867) 9.486 2.456 ( -4.098 -6.878 -2.664) 8.438 2.574 ( -7.559 -1.863 -2.129) 8.071 2.627 ( -0.562 4.205 -3.855) 5.732 2.960 ( 0.444 -2.408 3.081) 3.935 3.029 ( -2.321 -6.465 2.927) 7.467 3.131 ( 1.429 -1.155 -1.905) 2.647 3.292 ( -1.937 1.864 0.521) 2.738 3.522 ( 1.750 -1.508 -2.093) 3.117 3.924 ( -1.936 2.611 -0.760) 3.338 3.949 ( -1.458 -0.556 -4.224) 4.503 4.108 ( -1.153 0.017 -3.232) 3.431 4.124 ( 3.792 -0.008 -0.412) 3.814 4.301 ( 1.385 0.827 5.285) 5.526 7.333 ( -0.608 -0.550 2.523) 2.653 ======================= Grid point 15 (10/116) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 3.496 -2.338 10.653) 11.453 1.013 ( -5.059 8.603 8.551) 13.143 1.134 ( 5.577 -0.177 -3.373) 6.520 1.417 ( -0.601 7.125 -4.801) 8.613 1.578 ( 8.033 0.023 4.052) 8.998 1.750 ( 1.353 0.926 -2.553) 3.035 2.014 ( 4.071 5.943 -3.595) 8.050 2.044 ( 1.237 -0.328 -3.336) 3.573 2.086 ( 1.224 -0.570 2.945) 3.240 2.163 ( 1.630 -0.057 5.772) 5.998 2.321 ( -2.401 -5.036 -2.062) 5.947 2.399 ( -7.066 -2.607 -3.915) 8.488 2.655 ( -2.365 4.718 -0.533) 5.305 2.883 ( -3.873 -3.625 1.982) 5.663 3.033 ( 4.118 -4.495 5.006) 7.889 3.116 ( 0.112 -1.029 -2.802) 2.987 3.274 ( -2.008 1.083 -0.779) 2.410 3.530 ( 1.747 -2.167 -0.784) 2.892 3.914 ( -2.172 3.063 -2.050) 4.278 3.929 ( 0.016 1.247 -0.497) 1.343 4.063 ( -1.707 -0.694 -3.537) 3.989 4.175 ( 2.862 -1.002 0.090) 3.034 4.342 ( 0.631 0.350 3.553) 3.625 7.327 ( -0.482 -0.303 1.472) 1.578 ======================= Grid point 16 (11/116) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 0.659 -3.300 2.689) 4.308 1.036 ( -7.137 10.452 3.544) 13.143 1.155 ( 5.091 -7.924 -1.284) 9.505 1.471 ( -0.621 4.876 -0.154) 4.918 1.610 ( -1.759 5.263 -2.934) 6.277 1.903 ( 9.641 -0.173 1.819) 9.812 1.986 ( -2.653 -3.181 1.215) 4.317 2.038 ( -2.437 -2.981 1.606) 4.172 2.122 ( 2.301 2.690 -0.596) 3.590 2.188 ( 1.338 0.447 -2.410) 2.793 2.271 ( -3.580 -2.030 -1.854) 4.514 2.335 ( 2.289 0.701 1.051) 2.615 2.626 ( -4.227 2.514 0.769) 4.977 2.825 ( -0.469 -1.470 -0.302) 1.572 3.045 ( 2.821 -5.714 -3.747) 7.393 3.129 ( -0.669 3.146 4.287) 5.359 3.249 ( -0.218 -0.950 -0.170) 0.990 3.531 ( 1.419 -2.443 -0.525) 2.873 3.906 ( -1.635 3.323 -1.821) 4.127 3.947 ( -0.497 2.065 0.485) 2.179 4.028 ( -0.282 -0.273 -1.257) 1.317 4.202 ( 1.826 -1.892 0.299) 2.646 4.353 ( -0.332 -0.135 1.080) 1.138 7.322 ( -0.329 -0.139 0.618) 0.714 ======================= Grid point 17 (12/116) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -0.276 -4.492 -3.296) 5.578 0.991 ( -8.802 10.014 -3.692) 13.835 1.174 ( 5.393 -7.463 1.052) 9.267 1.503 ( -2.139 4.090 5.401) 7.104 1.600 ( -4.218 4.521 -4.386) 7.580 1.880 ( -5.019 -7.523 -2.261) 9.322 1.968 ( 2.873 0.131 -1.767) 3.375 2.057 ( 3.658 0.297 4.477) 5.789 2.131 ( -1.935 -1.761 1.295) 2.919 2.205 ( 1.548 -3.407 0.703) 3.808 2.292 ( 2.550 4.539 0.562) 5.236 2.333 ( -1.899 0.135 1.811) 2.628 2.616 ( -0.293 4.438 -0.957) 4.549 2.821 ( 1.147 -0.512 -0.975) 1.590 3.008 ( 0.782 -3.329 -8.047) 8.743 3.147 ( -0.172 -1.279 4.893) 5.060 3.259 ( 0.901 0.738 1.733) 2.087 3.532 ( 1.616 -2.239 -0.239) 2.771 3.908 ( -1.446 3.586 -1.207) 4.051 3.944 ( -1.246 1.101 -0.153) 1.670 4.049 ( 1.568 1.035 2.468) 3.102 4.203 ( 0.607 -2.352 0.472) 2.474 4.338 ( -0.890 -0.543 -1.607) 1.915 7.318 ( -0.153 -0.022 -0.080) 0.174 ======================= Grid point 18 (13/116) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( -2.750 -6.487 -6.724) 9.739 0.939 ( -7.177 10.764 -5.326) 13.991 1.165 ( -1.003 -5.887 2.193) 6.362 1.463 ( -6.383 4.156 1.385) 7.742 1.528 ( -5.384 -5.169 -3.717) 8.338 1.779 ( 0.521 -1.141 3.659) 3.868 2.042 ( 3.896 0.253 -2.942) 4.889 2.055 ( -4.539 -2.051 3.160) 5.899 2.084 ( -2.095 -0.439 1.374) 2.544 2.116 ( -7.254 -4.469 -1.647) 8.677 2.335 ( 7.535 -1.357 0.642) 7.683 2.446 ( 4.606 6.533 4.721) 9.283 2.660 ( -1.618 5.454 0.469) 5.708 2.857 ( 4.524 0.879 -2.860) 5.424 2.962 ( 1.086 -2.953 -7.401) 8.042 3.152 ( 2.064 -3.793 3.478) 5.544 3.285 ( -0.660 2.049 1.364) 2.549 3.536 ( 1.359 -2.097 0.280) 2.515 3.916 ( -1.272 3.413 -0.498) 3.676 3.945 ( 0.221 0.916 1.017) 1.386 4.101 ( 1.704 1.111 3.211) 3.801 4.181 ( -0.862 -2.139 1.096) 2.553 4.300 ( -1.464 -1.099 -3.908) 4.315 7.316 ( 0.008 0.041 -0.568) 0.570 ======================= Grid point 19 (14/116) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( -6.387 -5.504 -5.982) 10.338 0.895 ( -10.227 9.159 -5.172) 14.671 1.027 ( -6.058 -6.013 3.510) 9.229 1.346 ( -7.846 -3.427 -0.380) 8.570 1.452 ( 1.202 1.429 -1.629) 2.478 1.641 ( -18.772 -5.333 -0.466) 19.520 1.940 ( -6.614 -2.190 4.568) 8.331 1.975 ( -5.272 -0.644 0.021) 5.311 2.070 ( 6.079 1.402 0.509) 6.259 2.160 ( 6.925 0.365 -4.694) 8.374 2.479 ( 8.793 -0.184 1.360) 8.900 2.594 ( 3.758 3.397 1.732) 5.354 2.666 ( -2.559 3.126 2.527) 4.765 2.939 ( 2.913 0.928 -0.694) 3.135 2.985 ( 8.207 -0.248 -5.106) 9.668 3.149 ( -0.414 -3.106 1.655) 3.543 3.286 ( -0.929 1.825 -0.234) 2.061 3.540 ( 1.146 -2.146 1.095) 2.668 3.929 ( -0.972 3.151 0.208) 3.304 3.981 ( 2.621 0.715 1.522) 3.114 4.121 ( -1.413 -1.681 0.257) 2.210 4.153 ( -1.389 0.106 3.017) 3.323 4.246 ( -1.263 -0.982 -4.043) 4.347 7.315 ( 0.103 0.044 -0.719) 0.728 ======================= Grid point 20 (15/116) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.294 ( -8.844 0.000 0.000) 8.844 0.658 ( -18.588 0.000 0.000) 18.588 0.964 ( -3.920 0.000 0.000) 3.920 1.191 ( -23.871 0.000 0.000) 23.871 1.219 ( -6.205 0.000 0.000) 6.205 1.497 ( 2.488 -0.000 -0.000) 2.488 1.827 ( -5.818 0.000 0.000) 5.818 1.860 ( -6.993 0.000 0.000) 6.993 2.243 ( 10.529 -0.000 -0.000) 10.529 2.262 ( 5.884 -0.000 -0.000) 5.884 2.619 ( 6.610 -0.000 -0.000) 6.610 2.629 ( -0.837 0.000 0.000) 0.837 2.652 ( -0.889 0.000 0.000) 0.889 3.049 ( 6.064 -0.000 -0.000) 6.064 3.081 ( -4.368 0.000 0.000) 4.368 3.099 ( 6.968 -0.000 -0.000) 6.968 3.309 ( 1.670 -0.000 -0.000) 1.670 3.546 ( 1.289 -0.000 -0.000) 1.289 3.941 ( -0.215 0.000 0.000) 0.215 4.047 ( 2.282 -0.000 -0.000) 2.282 4.051 ( -3.047 0.000 0.000) 3.047 4.110 ( -3.927 0.000 0.000) 3.927 4.234 ( 0.510 -0.000 -0.000) 0.510 7.315 ( 0.104 -0.000 -0.000) 0.104 ======================= Grid point 23 (16/116) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 0.000 6.010 -3.887) 7.157 0.672 ( -0.000 5.760 26.616) 27.232 1.005 ( -0.000 6.916 1.696) 7.121 1.234 ( -0.000 24.107 -0.376) 24.109 1.299 ( 0.000 2.940 -1.991) 3.550 1.473 ( 0.000 -0.392 0.050) 0.395 1.806 ( 0.000 9.168 -4.786) 10.342 2.012 ( -0.000 6.690 8.427) 10.759 2.149 ( 0.000 -6.861 -6.694) 9.586 2.272 ( -0.000 -9.760 6.923) 11.967 2.532 ( 0.000 1.940 -8.814) 9.024 2.604 ( 0.000 -6.793 -0.013) 6.793 2.721 ( -0.000 -1.372 6.850) 6.986 2.987 ( 0.000 -6.009 -7.692) 9.761 3.019 ( -0.000 -8.540 2.598) 8.927 3.176 ( -0.000 4.043 1.875) 4.457 3.256 ( -0.000 0.987 0.383) 1.059 3.574 ( 0.000 -0.255 -3.575) 3.584 3.886 ( 0.000 -1.378 -0.949) 1.673 3.992 ( 0.000 -1.140 -4.921) 5.051 4.062 ( 0.000 2.736 -3.692) 4.596 4.119 ( -0.000 3.897 1.214) 4.082 4.275 ( -0.000 -0.670 4.828) 4.874 7.349 ( -0.000 -1.354 3.896) 4.125 ======================= Grid point 24 (17/116) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 0.142 4.890 14.585) 15.384 0.810 ( 7.772 2.005 2.338) 8.360 1.118 ( 1.098 10.789 4.725) 11.829 1.294 ( 2.144 -1.644 -2.155) 3.456 1.426 ( 1.669 2.272 0.954) 2.976 1.626 ( 7.815 19.414 -1.193) 20.962 1.901 ( 0.972 10.095 -4.053) 10.922 2.031 ( -3.425 -4.749 -4.415) 7.333 2.066 ( -2.219 3.540 3.388) 5.379 2.202 ( -0.178 -8.422 5.631) 10.133 2.470 ( -4.901 -6.247 -1.554) 8.091 2.585 ( 4.177 0.814 -3.125) 5.280 2.686 ( -4.629 -2.464 0.341) 5.256 2.887 ( 0.827 -7.033 -0.991) 7.151 2.965 ( 1.805 -7.700 1.257) 8.009 3.182 ( -4.156 3.595 0.739) 5.544 3.304 ( 2.140 0.610 1.106) 2.485 3.519 ( -2.837 0.297 -2.871) 4.047 3.907 ( 2.601 -1.123 -2.790) 3.977 3.958 ( 0.238 -1.640 -1.993) 2.592 4.078 ( 0.579 2.243 -4.130) 4.735 4.139 ( -2.090 2.132 0.073) 2.987 4.301 ( 1.560 0.019 5.250) 5.477 7.346 ( -0.447 -0.900 2.856) 3.027 ======================= Grid point 25 (18/116) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -2.728 0.714 13.097) 13.397 0.975 ( 6.816 0.145 -3.107) 7.492 1.226 ( 1.382 4.026 5.703) 7.116 1.392 ( 7.145 5.781 1.483) 9.310 1.490 ( 2.248 5.034 -1.264) 5.656 1.774 ( -2.985 0.864 -3.306) 4.538 2.015 ( 1.526 4.156 -3.378) 5.569 2.023 ( 3.273 8.508 -1.807) 9.293 2.062 ( 0.936 2.146 1.088) 2.582 2.144 ( -0.172 -6.054 4.436) 7.507 2.317 ( -4.398 -5.537 0.226) 7.075 2.505 ( -8.310 -2.444 -4.000) 9.541 2.691 ( 2.819 3.552 -2.335) 5.100 2.868 ( 3.288 -7.611 1.831) 8.491 2.928 ( 0.637 -6.002 2.822) 6.663 3.132 ( -3.235 1.853 0.794) 3.812 3.322 ( -1.445 1.252 -0.461) 1.967 3.487 ( 0.063 -1.131 -1.408) 1.807 3.915 ( 1.099 0.203 -2.961) 3.165 3.967 ( 0.603 1.237 -0.059) 1.378 4.076 ( -1.154 0.106 -4.626) 4.769 4.122 ( 0.291 -0.269 0.322) 0.510 4.347 ( 1.076 0.353 4.260) 4.408 7.338 ( -0.559 -0.518 1.850) 2.001 ======================= Grid point 26 (19/116) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -1.638 -3.340 3.788) 5.309 1.015 ( 2.841 -4.485 0.296) 5.317 1.297 ( -4.900 11.126 4.652) 13.017 1.510 ( -0.531 1.551 -0.180) 1.650 1.607 ( 6.448 3.837 -0.548) 7.523 1.783 ( 4.762 4.534 -3.645) 7.518 1.989 ( -0.509 -2.611 -1.899) 3.269 2.038 ( -0.740 -5.921 3.919) 7.139 2.122 ( -0.182 -1.074 -1.682) 2.004 2.156 ( 0.226 3.555 2.862) 4.570 2.288 ( 3.166 0.379 1.056) 3.359 2.346 ( -6.554 0.629 -5.408) 8.521 2.733 ( -2.078 3.460 -0.505) 4.067 2.819 ( -2.029 -3.605 0.792) 4.212 2.903 ( 4.158 -7.955 0.443) 8.987 3.161 ( 2.367 3.150 2.749) 4.805 3.279 ( -4.049 0.652 -1.553) 4.385 3.475 ( 1.218 -3.053 -0.368) 3.307 3.936 ( 0.827 2.318 -2.663) 3.626 3.991 ( -0.418 2.875 0.923) 3.048 4.032 ( -1.672 0.118 -3.141) 3.560 4.135 ( 2.614 -3.046 0.306) 4.025 4.367 ( -0.428 0.062 2.360) 2.400 7.330 ( -0.531 -0.262 0.986) 1.151 ======================= Grid point 27 (20/116) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -1.002 -4.765 -1.606) 5.127 1.024 ( 3.892 -4.963 1.237) 6.427 1.284 ( -11.097 12.926 -0.850) 17.057 1.534 ( 1.526 1.730 5.306) 5.786 1.691 ( 0.223 2.305 -4.821) 5.348 1.850 ( -0.608 -2.980 -5.009) 5.860 1.950 ( -1.367 -1.408 1.490) 2.464 2.015 ( 3.364 -1.272 4.737) 5.947 2.110 ( 2.888 -4.720 1.379) 5.703 2.178 ( -3.468 2.844 -1.655) 4.781 2.297 ( 0.508 1.655 -0.589) 1.829 2.340 ( 3.067 0.202 1.286) 3.332 2.693 ( -3.841 4.077 0.211) 5.606 2.796 ( 0.654 -1.064 -0.666) 1.416 2.896 ( 3.363 -6.465 -2.404) 7.673 3.198 ( -4.460 -0.842 -1.085) 4.667 3.251 ( 2.279 3.556 2.992) 5.176 3.470 ( 2.251 -3.490 -0.047) 4.153 3.958 ( -0.850 3.819 -2.575) 4.683 3.985 ( -1.922 1.032 -0.834) 2.335 4.040 ( 1.589 1.345 1.247) 2.427 4.148 ( 2.504 -3.533 0.829) 4.409 4.352 ( -1.570 -0.290 0.164) 1.605 7.323 ( -0.419 -0.098 0.322) 0.537 ======================= Grid point 28 (21/116) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -2.034 -3.536 -2.549) 4.811 1.070 ( 5.305 -2.720 1.307) 6.103 1.194 ( -11.305 9.499 -2.711) 15.013 1.559 ( -5.508 -3.217 -2.226) 6.756 1.639 ( -4.308 2.500 7.385) 8.908 1.751 ( -1.040 -2.813 -5.469) 6.237 1.961 ( 3.404 0.194 -1.321) 3.656 2.090 ( 0.008 -0.212 2.044) 2.055 2.125 ( 1.144 -2.314 2.170) 3.372 2.148 ( -0.152 1.669 1.537) 2.274 2.240 ( -1.839 -3.862 -3.121) 5.295 2.462 ( 4.075 4.464 4.024) 7.261 2.730 ( 0.831 6.980 -0.598) 7.055 2.790 ( 1.121 -1.329 -1.789) 2.495 2.868 ( 1.985 -6.220 -2.777) 7.095 3.124 ( -1.870 -1.702 0.235) 2.539 3.312 ( 0.418 2.144 1.425) 2.608 3.485 ( 2.569 -2.017 0.182) 3.272 3.956 ( -1.292 1.347 -0.838) 2.046 3.972 ( -1.208 1.807 -0.430) 2.215 4.088 ( 1.984 0.739 1.137) 2.403 4.160 ( 1.598 -1.853 1.379) 2.809 4.313 ( -2.261 -0.569 -1.453) 2.748 7.317 ( -0.257 -0.014 -0.050) 0.262 ======================= Grid point 29 (22/116) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( -4.609 0.000 0.000) 4.609 1.073 ( -7.836 0.000 0.000) 7.836 1.114 ( -1.758 0.000 0.000) 1.758 1.389 ( -6.360 0.000 0.000) 6.360 1.542 ( -8.120 0.000 0.000) 8.120 1.790 ( 1.948 -0.000 -0.000) 1.948 2.033 ( -8.727 0.000 0.000) 8.727 2.036 ( 3.624 -0.000 -0.000) 3.624 2.055 ( -1.196 0.000 0.000) 1.196 2.088 ( -5.133 0.000 0.000) 5.133 2.322 ( 9.372 -0.000 -0.000) 9.372 2.555 ( 3.496 -0.000 -0.000) 3.496 2.743 ( -3.143 0.000 0.000) 3.143 2.860 ( 4.576 -0.000 -0.000) 4.576 2.864 ( 5.233 -0.000 -0.000) 5.233 3.116 ( 1.630 -0.000 -0.000) 1.630 3.316 ( -1.258 0.000 0.000) 1.258 3.512 ( 1.546 -0.000 -0.000) 1.546 3.955 ( 0.726 -0.000 -0.000) 0.726 3.962 ( -1.008 0.000 0.000) 1.008 4.119 ( 0.901 -0.000 -0.000) 0.901 4.174 ( 0.294 -0.000 -0.000) 0.294 4.262 ( -2.500 0.000 0.000) 2.500 7.314 ( -0.086 0.000 0.000) 0.086 ======================= Grid point 34 (23/116) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -0.000 4.835 -0.514) 4.863 0.890 ( -0.000 -0.720 14.166) 14.185 1.213 ( -0.000 9.035 2.744) 9.443 1.233 ( 0.000 -3.351 0.417) 3.377 1.457 ( -0.000 5.227 1.861) 5.548 1.757 ( -0.000 20.662 -3.045) 20.885 1.962 ( 0.000 -5.547 -6.482) 8.532 1.989 ( 0.000 9.613 -2.762) 10.002 2.143 ( -0.000 -6.069 3.842) 7.183 2.192 ( -0.000 5.222 6.565) 8.389 2.449 ( 0.000 -8.455 -1.262) 8.549 2.507 ( 0.000 0.668 -5.375) 5.416 2.694 ( -0.000 -5.298 2.746) 5.968 2.798 ( 0.000 -8.702 -0.433) 8.713 2.881 ( 0.000 -5.458 -0.491) 5.480 3.276 ( -0.000 0.782 0.692) 1.044 3.288 ( -0.000 5.347 0.874) 5.418 3.540 ( 0.000 -1.002 -2.689) 2.870 3.850 ( 0.000 -1.227 -1.700) 2.096 3.917 ( 0.000 -3.012 -2.856) 4.151 4.090 ( 0.000 2.615 -4.564) 5.260 4.198 ( -0.000 3.022 1.352) 3.311 4.291 ( -0.000 -1.076 4.545) 4.671 7.350 ( -0.000 -0.865 2.457) 2.605 ======================= Grid point 35 (24/116) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 5.825 2.407 -1.986) 6.608 0.874 ( 1.147 0.154 9.572) 9.642 1.169 ( -0.797 -1.932 3.645) 4.202 1.383 ( 6.479 4.110 1.050) 7.744 1.523 ( 0.201 6.856 1.873) 7.111 1.838 ( -4.061 2.757 -3.439) 5.994 2.003 ( 3.420 2.338 -1.683) 4.472 2.028 ( 2.426 3.601 -1.203) 4.506 2.149 ( -0.713 5.232 1.204) 5.416 2.163 ( -7.697 3.994 0.606) 8.692 2.329 ( -2.982 -6.779 -0.149) 7.407 2.545 ( 0.432 -3.881 -2.134) 4.450 2.637 ( 2.060 -0.477 -2.529) 3.297 2.744 ( 2.637 -7.991 3.998) 9.316 2.854 ( 2.014 -4.060 -0.460) 4.555 3.243 ( -4.881 1.769 1.670) 5.453 3.339 ( -0.027 2.394 -0.290) 2.411 3.497 ( -1.951 -0.713 -1.851) 2.782 3.871 ( 2.662 -0.407 -2.958) 4.000 3.904 ( 3.589 -2.692 -0.388) 4.503 4.087 ( -1.052 1.718 -4.143) 4.606 4.177 ( -4.168 1.068 1.058) 4.431 4.333 ( 2.559 -0.005 3.583) 4.403 7.347 ( -0.346 -0.588 1.731) 1.861 ======================= Grid point 36 (25/116) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -3.482 -4.170 -0.233) 5.438 0.991 ( -1.355 1.072 4.231) 4.570 1.290 ( 12.588 2.201 4.208) 13.454 1.488 ( 4.234 -0.303 -2.718) 5.040 1.616 ( 0.854 7.525 3.693) 8.426 1.809 ( -2.599 6.383 -3.936) 7.937 1.946 ( 0.138 -7.286 -0.287) 7.293 2.030 ( -6.441 -1.925 -0.353) 6.732 2.165 ( -1.080 0.714 -0.514) 1.393 2.174 ( 1.022 4.537 0.335) 4.662 2.280 ( -0.290 2.023 1.808) 2.728 2.435 ( -5.366 -1.349 -4.258) 6.982 2.711 ( 5.157 -1.000 -1.239) 5.397 2.750 ( 3.250 -3.991 1.992) 5.519 2.841 ( 0.099 -3.969 1.069) 4.112 3.195 ( -2.663 2.668 2.657) 4.612 3.333 ( -1.654 0.519 -1.575) 2.342 3.454 ( -1.772 -1.279 -0.861) 2.349 3.904 ( 3.054 0.436 -2.066) 3.713 3.969 ( 4.910 -0.839 0.352) 4.994 4.061 ( -1.954 1.337 -3.625) 4.330 4.117 ( -3.162 -0.678 1.048) 3.400 4.375 ( 0.832 0.134 2.299) 2.449 7.340 ( -0.520 -0.305 0.965) 1.138 ======================= Grid point 37 (26/116) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -2.936 -3.071 -0.805) 4.325 0.968 ( -0.727 -1.406 1.713) 2.332 1.514 ( 6.567 4.478 1.823) 8.155 1.523 ( -1.098 3.048 -0.538) 3.285 1.679 ( -2.534 3.331 3.215) 5.278 1.821 ( -0.405 -1.417 -6.809) 6.967 1.907 ( 3.954 -2.692 0.244) 4.790 1.940 ( 0.786 -2.640 1.478) 3.126 2.128 ( -4.864 0.798 1.334) 5.106 2.228 ( 4.311 1.689 0.362) 4.644 2.302 ( -1.181 0.822 0.164) 1.448 2.327 ( -4.566 -0.445 -1.756) 4.912 2.765 ( 1.952 -1.761 -0.748) 2.733 2.775 ( 2.226 -0.579 -0.229) 2.311 2.792 ( -1.664 -1.409 1.058) 2.423 3.214 ( -0.214 0.116 1.274) 1.297 3.313 ( -1.221 4.143 -0.701) 4.376 3.404 ( -0.339 -4.045 -0.056) 4.059 3.966 ( 3.216 1.512 -0.719) 3.625 4.021 ( -1.287 1.765 -3.082) 3.778 4.041 ( 0.611 1.171 0.228) 1.341 4.073 ( 0.814 -3.648 1.748) 4.126 4.379 ( -1.113 -0.002 0.822) 1.384 7.331 ( -0.548 -0.102 0.341) 0.653 ======================= Grid point 38 (27/116) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -1.655 0.000 0.000) 1.655 0.980 ( 3.069 -0.000 -0.000) 3.069 1.445 ( -11.063 0.000 0.000) 11.063 1.603 ( -0.282 0.000 0.000) 0.282 1.660 ( 0.728 -0.000 -0.000) 0.728 1.758 ( -1.303 0.000 0.000) 1.303 1.945 ( -0.539 0.000 0.000) 0.539 2.030 ( 7.328 -0.000 -0.000) 7.328 2.074 ( 0.117 -0.000 -0.000) 0.117 2.207 ( -5.419 0.000 0.000) 5.419 2.279 ( -3.340 0.000 0.000) 3.340 2.373 ( 8.693 -0.000 -0.000) 8.693 2.767 ( 0.084 -0.000 -0.000) 0.084 2.774 ( -0.491 0.000 0.000) 0.491 2.798 ( 1.405 -0.000 -0.000) 1.405 3.171 ( -3.761 0.000 0.000) 3.761 3.329 ( -0.900 0.000 0.000) 0.900 3.413 ( 4.162 -0.000 -0.000) 4.162 3.989 ( -1.646 0.000 0.000) 1.646 4.004 ( -1.462 0.000 0.000) 1.462 4.052 ( 2.547 -0.000 -0.000) 2.547 4.110 ( 3.139 -0.000 -0.000) 3.139 4.349 ( -2.301 0.000 0.000) 2.301 7.323 ( -0.450 0.000 0.000) 0.450 ======================= Grid point 45 (28/116) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -0.000 7.628 5.057) 9.152 0.842 ( 0.000 -5.529 -0.856) 5.595 1.240 ( -0.000 -0.401 6.185) 6.198 1.300 ( 0.000 -0.999 -3.316) 3.463 1.601 ( -0.000 7.075 3.740) 8.003 1.902 ( 0.000 3.359 -1.045) 3.518 1.947 ( 0.000 -6.343 -0.789) 6.392 2.073 ( 0.000 11.896 -2.808) 12.223 2.234 ( -0.000 8.620 -0.780) 8.655 2.256 ( 0.000 -8.328 -2.850) 8.802 2.313 ( -0.000 1.891 3.987) 4.412 2.476 ( 0.000 -1.452 -1.399) 2.016 2.593 ( 0.000 -2.911 -3.647) 4.667 2.653 ( -0.000 -8.313 5.896) 10.191 2.804 ( 0.000 -2.080 -1.449) 2.535 3.295 ( -0.000 0.555 0.649) 0.854 3.387 ( -0.000 4.373 -0.372) 4.388 3.499 ( 0.000 -1.871 -0.437) 1.921 3.818 ( 0.000 -0.816 -1.336) 1.565 3.847 ( 0.000 -2.136 -1.771) 2.775 4.098 ( 0.000 1.060 -2.841) 3.033 4.251 ( -0.000 1.566 0.798) 1.757 4.298 ( -0.000 -0.810 2.689) 2.808 7.350 ( -0.000 -0.447 1.234) 1.313 ======================= Grid point 46 (29/116) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -1.921 -3.009 -1.609) 3.916 1.026 ( 8.727 6.319 6.126) 12.395 1.161 ( -2.282 -2.626 0.105) 3.480 1.366 ( 6.369 -2.015 -2.271) 7.056 1.686 ( 0.404 6.441 3.926) 7.554 1.864 ( -1.435 -5.784 -3.911) 7.128 1.936 ( -2.130 6.717 2.349) 7.428 2.096 ( -2.281 -5.025 -2.371) 6.006 2.220 ( 1.496 3.334 -1.029) 3.796 2.220 ( -8.549 0.877 1.760) 8.773 2.318 ( -0.210 4.131 -0.599) 4.179 2.456 ( -1.086 -2.243 -1.978) 3.182 2.610 ( 3.794 -1.666 0.254) 4.151 2.654 ( 5.557 -3.038 2.347) 6.754 2.795 ( 1.236 -1.415 -0.720) 2.012 3.275 ( -2.750 0.484 1.053) 2.985 3.380 ( -3.962 1.679 -0.537) 4.336 3.472 ( -0.949 -0.713 -0.547) 1.307 3.846 ( 2.495 -0.449 -1.501) 2.946 3.865 ( 5.397 -0.930 0.135) 5.479 4.088 ( -1.106 0.560 -1.599) 2.023 4.194 ( -5.080 0.212 0.576) 5.117 4.351 ( 2.913 0.031 1.202) 3.151 7.348 ( -0.312 -0.207 0.585) 0.695 ======================= Grid point 47 (30/116) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -3.112 0.000 0.000) 3.112 1.024 ( -5.340 0.000 0.000) 5.340 1.345 ( 15.249 -0.000 -0.000) 15.249 1.456 ( 6.136 -0.000 -0.000) 6.136 1.758 ( 0.949 -0.000 -0.000) 0.949 1.780 ( -1.235 0.000 0.000) 1.235 1.934 ( -2.406 0.000 0.000) 2.406 1.983 ( -8.976 0.000 0.000) 8.976 2.150 ( 2.526 -0.000 -0.000) 2.526 2.219 ( -3.542 0.000 0.000) 3.542 2.327 ( -0.725 0.000 0.000) 0.725 2.404 ( -3.735 0.000 0.000) 3.735 2.676 ( 4.870 -0.000 -0.000) 4.870 2.733 ( 3.693 -0.000 -0.000) 3.693 2.804 ( 0.435 -0.000 -0.000) 0.435 3.241 ( -1.860 0.000 0.000) 1.860 3.326 ( -1.500 0.000 0.000) 1.500 3.436 ( -3.116 0.000 0.000) 3.116 3.901 ( 4.236 -0.000 -0.000) 4.236 3.959 ( 5.621 -0.000 -0.000) 5.621 4.064 ( -1.653 0.000 0.000) 1.653 4.113 ( -4.437 0.000 0.000) 4.437 4.385 ( 0.749 -0.000 -0.000) 0.749 7.341 ( -0.509 0.000 0.000) 0.509 ======================= Grid point 58 (31/116) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -0.000 0.000 0.000) 0.000 0.966 ( -0.000 0.000 0.000) 0.000 1.224 ( 0.000 0.000 -0.000) 0.000 1.260 ( -0.000 0.000 0.000) 0.000 1.734 ( -0.000 0.000 0.000) 0.000 1.830 ( -0.000 0.000 0.000) 0.000 2.009 ( -0.000 0.000 0.000) 0.000 2.094 ( 0.000 -0.000 -0.000) 0.000 2.189 ( -0.000 0.000 0.000) 0.000 2.331 ( -0.000 0.000 0.000) 0.000 2.351 ( -0.000 0.000 0.000) 0.000 2.447 ( -0.000 0.000 0.000) 0.000 2.563 ( -0.000 -0.000 0.000) 0.000 2.571 ( 0.000 0.000 -0.000) 0.000 2.777 ( -0.000 0.000 0.000) 0.000 3.304 ( -0.000 0.000 0.000) 0.000 3.440 ( -0.000 -0.000 0.000) 0.000 3.469 ( 0.000 0.000 -0.000) 0.000 3.805 ( -0.000 0.000 0.000) 0.000 3.818 ( -0.000 0.000 0.000) 0.000 4.097 ( -0.000 0.000 0.000) 0.000 4.270 ( -0.000 0.000 0.000) 0.000 4.300 ( -0.000 0.000 0.000) 0.000 7.350 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 116 (32/116) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.082 ( -0.000 0.000 7.620) 7.620 0.082 ( -0.000 -0.000 7.620) 7.620 0.416 ( -0.000 0.000 38.111) 38.111 1.071 ( 0.000 0.000 -3.886) 3.886 1.071 ( 0.000 -0.000 -3.886) 3.886 1.738 ( -0.000 0.000 4.727) 4.727 1.738 ( -0.000 0.000 4.727) 4.727 2.135 ( 0.000 -0.000 -12.923) 12.923 2.353 ( 0.000 -0.000 -2.201) 2.201 2.353 ( 0.000 -0.000 -2.201) 2.201 2.572 ( -0.000 0.000 3.265) 3.265 2.722 ( 0.000 -0.000 -0.423) 0.423 2.760 ( -0.000 0.000 0.130) 0.130 2.760 ( -0.000 -0.000 0.130) 0.130 2.960 ( -0.000 0.000 5.195) 5.195 3.215 ( -0.000 0.000 0.041) 0.041 3.215 ( -0.000 -0.000 0.041) 0.041 3.666 ( 0.000 -0.000 -7.215) 7.215 3.941 ( -0.000 0.000 0.432) 0.432 3.941 ( -0.000 0.000 0.432) 0.432 3.997 ( -0.000 0.000 0.120) 0.120 3.997 ( -0.000 0.000 0.120) 0.120 4.269 ( -0.000 0.000 4.704) 4.704 7.503 ( -0.000 0.000 0.087) 0.087 ======================= Grid point 117 (33/116) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.323 ( 15.319 8.844 -2.222) 17.828 0.523 ( 4.408 2.545 28.161) 28.618 0.713 ( 22.506 12.994 5.115) 26.486 1.095 ( 8.007 4.623 -2.511) 9.580 1.108 ( 0.262 0.151 1.636) 1.663 1.649 ( -11.314 -6.532 7.082) 14.860 1.712 ( 0.680 0.392 -0.816) 1.132 1.851 ( 3.080 1.778 6.292) 7.227 2.355 ( -1.016 -0.587 0.234) 1.196 2.418 ( -4.290 -2.477 -6.506) 8.177 2.477 ( -1.761 -1.016 0.394) 2.071 2.707 ( -4.199 -2.424 -0.127) 4.850 2.723 ( -1.434 -0.828 5.058) 5.322 2.940 ( 4.542 2.622 -9.665) 10.997 3.043 ( 0.297 0.172 -0.299) 0.456 3.226 ( 0.917 0.529 -0.166) 1.072 3.293 ( 2.164 1.249 -3.252) 4.101 3.546 ( -3.638 -2.100 -3.700) 5.598 3.907 ( -1.455 -0.840 -0.489) 1.750 3.991 ( 1.067 0.616 -7.614) 7.713 4.042 ( 3.361 1.940 0.330) 3.895 4.048 ( 2.884 1.665 0.866) 3.441 4.279 ( -0.463 -0.267 5.143) 5.170 7.400 ( -4.042 -2.334 6.617) 8.098 ======================= Grid point 118 (34/116) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 13.441 7.760 -2.500) 15.720 0.701 ( 3.757 2.169 25.533) 25.899 1.095 ( -2.178 -1.258 5.647) 6.182 1.134 ( 14.378 8.301 -3.104) 16.890 1.436 ( 17.652 10.191 3.937) 20.760 1.508 ( -2.311 -1.334 -0.938) 2.829 1.766 ( 4.874 2.814 -5.195) 7.659 1.915 ( 1.225 0.707 -0.784) 1.618 2.236 ( -8.578 -4.953 4.671) 10.951 2.307 ( -3.750 -2.165 2.755) 5.133 2.505 ( 2.711 1.565 -3.973) 5.058 2.592 ( -5.383 -3.108 -0.530) 6.238 2.619 ( -7.059 -4.075 -4.155) 9.148 2.980 ( 1.301 0.751 2.749) 3.133 3.080 ( 1.091 0.630 -1.249) 1.774 3.205 ( -5.477 -3.162 -0.159) 6.326 3.245 ( 0.673 0.389 -0.069) 0.780 3.530 ( 1.417 0.818 -3.713) 4.058 3.881 ( -0.660 -0.381 -1.139) 1.371 3.950 ( -1.358 -0.784 -5.066) 5.303 4.093 ( 0.586 0.338 -2.838) 2.918 4.117 ( 2.819 1.628 1.096) 3.435 4.303 ( 1.041 0.601 5.330) 5.464 7.361 ( -1.647 -0.951 3.958) 4.391 ======================= Grid point 119 (35/116) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 3.609 2.084 3.755) 5.609 0.861 ( 2.913 1.682 16.953) 17.283 1.104 ( 4.023 2.323 0.726) 4.702 1.325 ( 1.146 0.661 -2.933) 3.218 1.545 ( 9.411 5.433 1.399) 10.956 1.732 ( 1.254 0.724 -0.752) 1.632 1.882 ( 6.923 3.997 -6.032) 10.015 1.967 ( 8.025 4.633 -5.132) 10.593 2.139 ( -0.976 -0.563 7.553) 7.636 2.207 ( -6.014 -3.472 4.280) 8.157 2.401 ( -8.031 -4.637 -5.360) 10.711 2.474 ( -4.905 -2.832 -0.297) 5.672 2.574 ( 2.119 1.223 -1.546) 2.894 2.952 ( -5.070 -2.927 2.214) 6.259 3.086 ( 1.191 0.688 5.158) 5.338 3.133 ( -1.532 -0.885 -5.791) 6.055 3.255 ( 0.187 0.108 0.281) 0.355 3.548 ( 0.901 0.520 -1.785) 2.067 3.867 ( -0.164 -0.095 -1.502) 1.514 3.916 ( -0.258 -0.149 -2.165) 2.185 4.065 ( -1.348 -0.778 -3.622) 3.942 4.178 ( 2.108 1.217 1.082) 2.664 4.346 ( 0.858 0.495 3.731) 3.861 7.343 ( -1.003 -0.579 2.351) 2.621 ======================= Grid point 120 (36/116) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -3.369 -1.945 5.757) 6.948 0.931 ( -0.739 -0.427 5.351) 5.418 1.261 ( 8.001 4.619 -3.852) 10.010 1.310 ( -0.115 -0.066 0.080) 0.155 1.603 ( -3.950 -2.281 -1.210) 4.719 1.859 ( 10.887 6.285 3.518) 13.054 2.020 ( 5.996 3.462 -4.734) 8.387 2.061 ( 1.185 0.684 0.526) 1.466 2.084 ( -4.858 -2.805 3.519) 6.621 2.163 ( -3.882 -2.241 -3.847) 5.907 2.303 ( 2.967 1.713 0.951) 3.555 2.367 ( -4.726 -2.728 1.205) 5.588 2.592 ( -0.233 -0.135 -0.169) 0.318 2.856 ( -3.082 -1.779 -0.174) 3.563 3.065 ( -1.860 -1.074 -8.233) 8.508 3.144 ( 1.397 0.807 7.556) 7.726 3.258 ( -0.037 -0.022 0.628) 0.630 3.553 ( 0.116 0.067 -1.642) 1.647 3.862 ( 0.134 0.078 -1.460) 1.468 3.921 ( 0.745 0.430 -0.513) 1.002 4.028 ( -0.580 -0.335 -2.047) 2.154 4.218 ( 1.038 0.599 0.954) 1.532 4.361 ( -0.340 -0.196 1.477) 1.528 7.331 ( -0.681 -0.393 1.274) 1.497 ======================= Grid point 121 (37/116) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -2.543 -1.468 2.534) 3.878 0.878 ( -3.594 -2.075 -3.683) 5.549 1.322 ( 0.687 0.396 -0.010) 0.793 1.375 ( 2.143 1.237 -2.104) 3.248 1.551 ( 0.052 0.030 0.793) 0.795 1.979 ( -2.147 -1.240 0.171) 2.485 1.987 ( -6.794 -3.922 -2.763) 8.317 2.059 ( 4.515 2.607 4.715) 7.029 2.156 ( 4.238 2.447 3.255) 5.877 2.170 ( 5.398 3.117 -1.778) 6.482 2.271 ( -3.708 -2.141 2.227) 4.826 2.341 ( -0.777 -0.449 -0.097) 0.902 2.578 ( -0.483 -0.279 -0.388) 0.680 2.820 ( 0.020 0.011 -1.482) 1.482 2.996 ( -1.274 -0.736 -10.210) 10.316 3.198 ( 0.724 0.418 8.288) 8.330 3.259 ( -0.077 -0.044 0.826) 0.830 3.550 ( 0.319 0.184 -1.534) 1.577 3.863 ( 0.384 0.222 -1.155) 1.237 3.927 ( 0.074 0.043 -1.335) 1.338 4.039 ( 1.479 0.854 1.677) 2.394 4.230 ( -0.200 -0.115 0.823) 0.854 4.345 ( -1.076 -0.621 -0.945) 1.561 7.321 ( -0.420 -0.243 0.528) 0.717 ======================= Grid point 122 (38/116) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -5.543 -3.200 -3.604) 7.346 0.764 ( -0.543 -0.313 -1.876) 1.978 1.323 ( -6.247 -3.607 1.705) 7.413 1.342 ( 2.210 1.276 -4.860) 5.489 1.568 ( -1.374 -0.793 -0.294) 1.614 1.840 ( -3.845 -2.220 2.814) 5.257 1.995 ( 3.926 2.267 -4.021) 6.060 2.112 ( -1.857 -1.072 3.492) 4.098 2.143 ( -5.508 -3.180 5.881) 8.662 2.189 ( -5.379 -3.105 -0.714) 6.252 2.334 ( 6.268 3.619 -1.892) 7.481 2.350 ( 4.535 2.619 5.147) 7.343 2.586 ( 1.386 0.800 -0.765) 1.774 2.830 ( 1.706 0.985 -3.032) 3.616 2.947 ( 0.222 0.128 -9.526) 9.530 3.233 ( -0.136 -0.079 7.121) 7.123 3.260 ( -0.090 -0.052 0.830) 0.836 3.555 ( 0.535 0.309 -1.275) 1.417 3.870 ( 0.522 0.302 -0.831) 1.027 3.930 ( 0.791 0.457 -0.585) 1.085 4.091 ( 2.032 1.173 3.346) 4.087 4.215 ( -1.438 -0.830 0.739) 1.818 4.308 ( -1.553 -0.896 -3.082) 3.565 7.315 ( -0.195 -0.113 0.130) 0.260 ======================= Grid point 123 (39/116) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -7.816 -4.512 1.980) 9.240 0.750 ( -0.216 -0.124 -5.293) 5.299 1.145 ( -9.199 -5.311 3.216) 11.099 1.385 ( 1.803 1.041 -3.125) 3.755 1.437 ( -6.524 -3.767 -5.041) 9.064 1.778 ( -11.549 -6.668 2.737) 13.613 2.008 ( -2.546 -1.470 -0.049) 2.940 2.032 ( -5.919 -3.417 7.094) 9.851 2.057 ( -2.784 -1.607 1.038) 3.378 2.100 ( 5.919 3.418 -5.301) 8.650 2.470 ( 6.099 3.522 -0.587) 7.067 2.518 ( 6.807 3.930 5.302) 9.481 2.619 ( 1.083 0.625 1.174) 1.715 2.894 ( 3.926 2.267 -2.427) 5.142 2.944 ( 3.648 2.106 -7.798) 8.863 3.225 ( -2.639 -1.524 3.693) 4.788 3.259 ( -0.249 -0.144 0.665) 0.725 3.570 ( 0.996 0.575 0.085) 1.153 3.880 ( 0.564 0.326 -0.572) 0.867 3.965 ( 2.307 1.332 0.356) 2.688 4.140 ( 0.876 0.506 2.312) 2.524 4.172 ( -2.501 -1.444 0.672) 2.965 4.255 ( -1.799 -1.039 -3.439) 4.018 7.314 ( -0.026 -0.015 0.234) 0.236 ======================= Grid point 124 (40/116) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( -8.896 -5.136 13.317) 16.819 0.657 ( -8.189 -4.728 -2.030) 9.671 1.003 ( -2.255 -1.302 -1.445) 2.977 1.220 ( -15.802 -9.123 3.080) 18.504 1.338 ( -11.213 -6.474 -4.724) 13.783 1.487 ( -0.661 -0.382 -2.448) 2.565 1.858 ( -6.967 -4.022 -4.670) 9.302 1.921 ( -6.166 -3.560 8.404) 11.014 2.200 ( 8.725 5.037 5.135) 11.308 2.215 ( 5.630 3.250 -5.629) 8.599 2.602 ( 5.549 3.204 0.291) 6.414 2.613 ( 0.540 0.312 -5.349) 5.385 2.647 ( 0.520 0.300 6.584) 6.611 2.986 ( 6.099 3.522 2.870) 7.605 3.063 ( 4.409 2.545 -5.239) 7.305 3.161 ( -0.985 -0.569 -0.007) 1.138 3.251 ( -0.704 -0.407 0.426) 0.918 3.590 ( 0.428 0.247 0.567) 0.752 3.893 ( 0.809 0.467 -0.248) 0.967 4.030 ( 3.105 1.793 -0.788) 3.671 4.104 ( -3.684 -2.127 -3.630) 5.592 4.109 ( -3.156 -1.822 0.526) 3.682 4.236 ( 0.379 0.219 1.645) 1.702 7.317 ( 0.166 0.096 1.467) 1.480 ======================= Grid point 127 (41/116) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( -0.000 13.994 1.875) 14.119 0.613 ( -0.000 25.967 4.867) 26.419 0.724 ( -0.000 8.942 27.416) 28.837 0.957 ( 0.000 -1.948 -4.512) 4.914 1.198 ( -0.000 8.715 0.469) 8.728 1.627 ( -0.000 -12.326 3.952) 12.945 1.728 ( 0.000 -5.390 0.929) 5.469 1.909 ( -0.000 7.009 8.900) 11.329 2.249 ( 0.000 -5.555 -6.020) 8.192 2.434 ( 0.000 2.531 -9.994) 10.310 2.484 ( -0.000 -7.131 3.782) 8.072 2.717 ( 0.000 -4.424 0.311) 4.435 2.758 ( -0.000 -0.225 7.487) 7.490 2.936 ( 0.000 7.484 -9.228) 11.881 3.104 ( 0.000 5.071 -3.959) 6.433 3.183 ( -0.000 -4.297 1.135) 4.444 3.233 ( -0.000 1.288 0.121) 1.294 3.566 ( 0.000 -1.692 -6.941) 7.144 3.918 ( 0.000 -2.099 -0.121) 2.102 3.938 ( 0.000 1.767 -2.368) 2.955 4.042 ( 0.000 0.938 -2.131) 2.329 4.045 ( -0.000 3.900 0.827) 3.987 4.302 ( -0.000 -0.369 5.549) 5.561 7.422 ( -0.000 -4.608 5.341) 7.054 ======================= Grid point 128 (42/116) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 5.347 13.048 1.577) 14.189 0.808 ( 0.588 2.960 21.635) 21.844 0.911 ( 6.318 8.821 -1.439) 10.945 1.224 ( 11.485 15.522 3.650) 19.651 1.280 ( 6.253 6.639 3.998) 9.958 1.500 ( -2.852 -7.441 -0.114) 7.970 1.728 ( 1.941 3.843 -3.234) 5.385 1.972 ( -3.612 5.231 4.049) 7.537 2.176 ( 1.054 -9.039 -5.030) 10.398 2.388 ( -2.910 -7.427 5.726) 9.819 2.465 ( 2.275 3.908 -6.547) 7.957 2.627 ( -3.758 -5.060 -0.407) 6.316 2.724 ( -6.941 -0.982 -0.157) 7.012 2.956 ( 1.709 0.269 -1.190) 2.100 3.095 ( -0.718 3.172 -1.018) 3.408 3.140 ( 0.066 -6.998 1.371) 7.131 3.301 ( 1.349 0.749 -1.310) 2.024 3.495 ( -1.622 0.144 -4.114) 4.424 3.923 ( 0.351 -0.588 -1.956) 2.073 3.928 ( -1.215 1.627 -4.806) 5.217 4.062 ( 3.335 -0.482 0.624) 3.427 4.091 ( 0.050 2.386 -0.707) 2.489 4.319 ( 0.245 0.190 5.478) 5.486 7.388 ( -1.398 -2.245 4.218) 4.978 ======================= Grid point 129 (43/116) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 2.696 4.187 9.154) 10.421 0.960 ( 7.937 2.985 1.812) 8.671 1.070 ( 0.481 6.272 10.374) 12.132 1.369 ( 0.968 8.501 2.088) 8.807 1.411 ( 4.433 -3.836 -1.633) 6.086 1.680 ( 11.460 9.239 2.133) 14.874 1.821 ( 3.986 6.989 -5.400) 9.690 1.923 ( -2.299 2.866 -5.547) 6.653 2.107 ( 1.208 -6.212 2.173) 6.691 2.297 ( -3.161 -5.133 6.110) 8.583 2.429 ( -4.221 -5.996 -2.266) 7.675 2.540 ( -10.016 -1.995 -4.084) 10.999 2.599 ( 1.436 4.284 -1.340) 4.713 3.003 ( 1.294 -3.393 4.790) 6.011 3.049 ( -1.401 -4.785 1.034) 5.092 3.100 ( 0.303 -0.647 -4.124) 4.185 3.291 ( -2.235 2.007 -0.618) 3.067 3.501 ( 2.411 -0.856 -1.689) 3.066 3.900 ( -1.303 1.006 -4.205) 4.516 3.916 ( -0.750 1.837 -0.737) 2.117 4.073 ( -1.652 -0.372 -2.819) 3.289 4.129 ( 3.790 -0.549 0.925) 3.940 4.354 ( 0.751 0.693 4.429) 4.545 7.363 ( -1.172 -1.160 2.806) 3.255 ======================= Grid point 130 (44/116) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 0.257 -3.759 5.880) 6.984 1.091 ( 7.106 -2.405 -1.319) 7.617 1.120 ( -7.840 9.330 7.352) 14.232 1.386 ( 0.069 7.052 -0.579) 7.076 1.607 ( 4.565 -1.780 1.298) 5.069 1.718 ( 5.390 1.778 -2.528) 6.213 1.979 ( 4.266 8.581 -2.826) 9.991 2.014 ( 4.079 1.062 -2.093) 4.706 2.115 ( 1.451 -1.257 2.368) 3.049 2.225 ( -3.504 -3.734 4.996) 7.154 2.294 ( -2.415 -1.753 -2.272) 3.751 2.366 ( -4.226 -4.757 -2.296) 6.765 2.649 ( -1.437 4.839 -0.591) 5.083 2.899 ( -5.016 -3.791 0.947) 6.358 3.035 ( 0.561 -4.617 -4.652) 6.578 3.123 ( 3.207 0.572 4.058) 5.203 3.269 ( -1.599 0.450 0.082) 1.663 3.520 ( 1.694 -1.693 -1.200) 2.679 3.881 ( -1.013 1.967 -3.274) 3.951 3.932 ( -0.216 2.785 0.478) 2.834 4.029 ( -1.239 -0.557 -2.713) 3.034 4.181 ( 3.037 -1.460 0.792) 3.462 4.375 ( -0.423 0.182 2.497) 2.539 7.345 ( -0.924 -0.699 1.680) 2.041 ======================= Grid point 131 (45/116) ======================= q-point: ( 0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -1.043 -5.368 1.304) 5.622 1.058 ( -10.755 9.043 1.450) 14.126 1.151 ( 5.695 -6.918 -0.601) 8.981 1.485 ( 0.100 10.296 -0.845) 10.332 1.563 ( -1.117 -0.281 -1.452) 1.853 1.916 ( 9.442 -2.205 0.456) 9.706 2.000 ( -2.376 -3.012 1.647) 4.175 2.073 ( -5.466 -2.055 3.100) 6.612 2.113 ( 3.403 2.319 -0.792) 4.194 2.167 ( 2.640 5.748 -0.500) 6.345 2.259 ( -0.217 -5.011 -0.507) 5.041 2.346 ( 1.808 0.156 1.034) 2.089 2.632 ( -4.525 2.802 0.356) 5.334 2.816 ( -1.072 -1.519 -1.285) 2.260 2.973 ( -0.726 -2.453 -8.202) 8.592 3.194 ( 1.376 -0.165 6.337) 6.487 3.255 ( 0.644 -0.941 1.082) 1.572 3.521 ( 1.310 -1.799 -1.182) 2.520 3.879 ( -0.685 2.747 -2.675) 3.895 3.945 ( -1.442 2.246 -1.241) 2.944 4.025 ( 1.511 0.612 0.736) 1.789 4.208 ( 1.888 -2.139 0.682) 2.934 4.361 ( -1.583 -0.330 0.475) 1.685 7.330 ( -0.674 -0.427 0.903) 1.205 ======================= Grid point 132 (46/116) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -1.416 -5.752 1.203) 6.045 0.968 ( -10.725 10.090 -0.742) 14.745 1.162 ( 5.321 -6.972 -3.101) 9.303 1.522 ( -5.806 7.943 -6.266) 11.664 1.584 ( 0.251 0.998 5.793) 5.883 1.861 ( -3.560 -6.965 -0.852) 7.868 1.954 ( 0.419 -0.427 -0.779) 0.982 2.112 ( 4.370 0.906 4.533) 6.361 2.150 ( -0.315 -3.288 2.224) 3.982 2.211 ( 1.608 -3.812 0.976) 4.251 2.276 ( -0.078 0.922 -2.485) 2.651 2.375 ( 0.947 4.740 4.934) 6.907 2.606 ( -0.803 4.126 -1.001) 4.321 2.802 ( 0.385 -0.513 -2.979) 3.048 2.914 ( -0.299 -0.755 -8.643) 8.681 3.197 ( 0.776 -4.312 4.148) 6.033 3.287 ( 0.808 1.084 3.437) 3.693 3.525 ( 1.504 -1.508 -1.071) 2.384 3.890 ( -0.585 3.321 -1.848) 3.845 3.935 ( -0.934 1.731 -1.715) 2.609 4.076 ( 2.299 1.100 2.389) 3.493 4.209 ( 0.683 -2.397 0.343) 2.516 4.322 ( -2.201 -0.646 -1.023) 2.512 7.320 ( -0.405 -0.237 0.529) 0.707 ======================= Grid point 133 (47/116) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -3.156 -6.699 6.139) 9.619 0.894 ( -8.853 10.373 -3.094) 13.984 1.175 ( 2.099 -4.257 -0.533) 4.776 1.421 ( -7.514 1.853 -5.827) 9.688 1.523 ( -7.430 -1.372 0.436) 7.568 1.831 ( 2.488 -2.818 5.087) 6.325 2.009 ( 4.782 2.214 -2.071) 5.662 2.066 ( -8.222 -2.753 -2.379) 8.991 2.092 ( -2.994 -3.857 2.914) 5.686 2.137 ( -5.903 -3.655 3.054) 7.585 2.336 ( 8.859 -0.963 -0.446) 8.922 2.498 ( 3.890 5.771 4.723) 8.411 2.662 ( -0.532 6.423 -0.182) 6.447 2.813 ( 4.573 0.561 -5.798) 7.406 2.892 ( 1.126 -0.215 -4.588) 4.729 3.189 ( 2.057 -5.190 3.208) 6.439 3.304 ( -1.425 1.031 2.159) 2.785 3.534 ( 1.651 -1.449 -0.777) 2.331 3.909 ( -0.887 3.839 -0.816) 4.023 3.942 ( 0.987 1.075 -1.509) 2.099 4.127 ( 1.647 -0.002 1.544) 2.257 4.189 ( -0.472 -1.739 -0.618) 1.906 4.271 ( -2.504 -0.629 -0.429) 2.617 7.316 ( -0.127 -0.107 0.673) 0.693 ======================= Grid point 134 (48/116) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( -5.157 -6.308 15.153) 17.205 0.840 ( -8.580 9.596 -4.732) 13.714 1.070 ( -8.684 -5.277 4.260) 11.018 1.330 ( -2.673 -2.123 -3.124) 4.627 1.427 ( -2.445 3.359 -1.555) 4.436 1.636 ( -20.051 -4.947 -0.701) 20.664 1.940 ( -7.778 -3.238 -3.003) 8.944 2.011 ( -4.376 -3.432 5.070) 7.526 2.077 ( 7.084 0.348 -1.743) 7.303 2.144 ( 6.456 3.381 3.350) 8.021 2.483 ( 8.891 -0.619 -0.593) 8.932 2.606 ( 1.510 1.908 -0.078) 2.434 2.677 ( -1.116 1.710 0.410) 2.082 2.923 ( 7.204 0.867 -4.632) 8.608 2.949 ( 5.503 4.423 1.033) 7.135 3.168 ( -0.824 -4.366 1.748) 4.775 3.290 ( -1.282 1.537 1.036) 2.253 3.541 ( 1.487 -2.446 -1.031) 3.043 3.926 ( -0.798 3.342 -0.889) 3.549 3.980 ( 2.868 0.502 -1.546) 3.297 4.116 ( -2.238 -1.817 -1.829) 3.414 4.151 ( -1.619 -1.022 -2.504) 3.152 4.247 ( -0.774 0.602 4.053) 4.170 7.320 ( 0.234 -0.024 1.636) 1.653 ======================= Grid point 138 (49/116) ======================= q-point: ( 0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 0.000 5.281 -3.662) 6.426 0.956 ( -0.000 1.640 24.246) 24.301 1.034 ( -0.000 9.292 3.369) 9.884 1.219 ( -0.000 25.227 -2.187) 25.321 1.302 ( -0.000 -0.584 3.195) 3.248 1.482 ( -0.000 -1.712 1.329) 2.167 1.759 ( 0.000 8.940 -3.637) 9.652 2.063 ( 0.000 -5.946 -6.159) 8.561 2.110 ( -0.000 4.948 6.440) 8.121 2.326 ( -0.000 -9.037 2.284) 9.322 2.442 ( 0.000 2.718 -6.909) 7.425 2.602 ( 0.000 -7.248 -0.351) 7.256 2.772 ( 0.000 -2.141 0.281) 2.159 2.926 ( 0.000 -3.388 -1.706) 3.794 3.042 ( 0.000 -8.779 1.746) 8.951 3.185 ( -0.000 4.540 -0.622) 4.582 3.259 ( -0.000 1.183 0.179) 1.196 3.521 ( 0.000 1.222 -5.529) 5.662 3.874 ( 0.000 -1.814 -1.162) 2.154 3.947 ( 0.000 0.111 -3.250) 3.252 4.030 ( 0.000 0.617 -2.085) 2.174 4.133 ( -0.000 4.016 1.321) 4.227 4.330 ( -0.000 -0.856 5.095) 5.166 7.391 ( -0.000 -2.283 3.532) 4.205 ======================= Grid point 139 (50/116) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 12.491 4.893 -0.697) 13.433 0.932 ( -6.537 0.539 10.894) 12.716 1.171 ( 2.702 7.111 4.783) 8.986 1.315 ( 2.054 -0.089 6.955) 7.252 1.439 ( 0.424 2.069 1.220) 2.439 1.614 ( 9.268 17.566 -0.894) 19.882 1.855 ( 0.436 10.194 -4.441) 11.128 1.973 ( -0.844 -4.014 -5.914) 7.197 2.097 ( -5.880 3.177 2.115) 7.010 2.251 ( 0.219 -8.841 3.450) 9.493 2.455 ( -3.801 -4.447 -1.350) 6.004 2.553 ( 5.525 0.362 -2.733) 6.174 2.668 ( -7.401 -3.189 -3.517) 8.793 2.911 ( 2.815 -5.765 4.768) 7.993 2.972 ( 1.659 -8.068 0.244) 8.240 3.180 ( -4.558 4.447 -1.330) 6.505 3.307 ( 1.890 0.752 -0.577) 2.115 3.488 ( -1.843 0.935 -2.406) 3.172 3.873 ( 1.474 -0.966 -2.990) 3.470 3.941 ( 1.068 -0.236 -1.237) 1.651 4.041 ( 1.218 0.180 -2.528) 2.812 4.144 ( -2.805 2.524 0.745) 3.846 4.354 ( 1.485 -0.347 4.464) 4.717 7.376 ( -0.688 -1.569 2.591) 3.106 ======================= Grid point 140 (51/116) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -3.552 -3.468 3.159) 5.884 0.974 ( 5.940 2.407 2.576) 6.907 1.282 ( 4.080 1.717 4.694) 6.452 1.423 ( 2.844 7.231 2.948) 8.310 1.498 ( 3.571 4.107 3.281) 6.354 1.726 ( -3.771 -0.054 -4.884) 6.171 1.973 ( 1.613 4.859 -3.801) 6.377 2.001 ( 3.230 9.811 -2.316) 10.586 2.078 ( 2.556 2.128 1.643) 3.709 2.183 ( -0.086 -8.080 2.842) 8.566 2.316 ( -4.103 -4.081 -0.895) 5.856 2.466 ( -8.968 -3.060 -2.865) 9.900 2.670 ( 3.390 3.446 -1.710) 5.127 2.890 ( 1.214 -7.766 1.895) 8.086 2.956 ( 1.895 -6.079 2.351) 6.788 3.134 ( -3.084 4.067 -0.499) 5.128 3.312 ( -1.660 0.856 -1.136) 2.186 3.476 ( 0.629 -1.076 -0.730) 1.445 3.882 ( 1.189 0.670 -2.894) 3.200 3.965 ( 0.663 2.171 -0.201) 2.278 4.036 ( -0.566 -0.945 -2.726) 2.940 4.128 ( 0.033 -0.118 0.764) 0.774 4.387 ( 0.574 -0.095 3.063) 3.118 7.358 ( -0.833 -1.002 1.642) 2.096 ======================= Grid point 141 (52/116) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -2.507 -5.255 0.786) 5.875 1.029 ( 2.006 -3.635 1.232) 4.331 1.338 ( -6.431 9.443 3.184) 11.861 1.543 ( 2.777 1.816 5.588) 6.499 1.566 ( -0.561 5.371 -6.970) 8.817 1.754 ( 7.964 2.202 -0.786) 8.301 1.991 ( 1.565 -2.130 1.942) 3.280 2.066 ( 1.167 -4.246 1.212) 4.567 2.098 ( -1.149 -2.397 -2.890) 3.927 2.189 ( 0.831 4.092 3.083) 5.191 2.270 ( -1.976 1.649 -4.248) 4.967 2.320 ( -1.867 -0.953 0.842) 2.259 2.725 ( -0.515 3.510 -0.991) 3.683 2.822 ( -2.576 -3.935 -0.201) 4.707 2.902 ( 0.576 -6.466 -0.622) 6.522 3.189 ( 3.289 3.389 2.354) 5.277 3.268 ( -3.366 -0.265 -0.290) 3.389 3.471 ( 1.239 -2.740 -0.625) 3.071 3.905 ( 0.432 3.035 -2.794) 4.148 3.994 ( -1.350 1.940 -0.817) 2.501 4.010 ( 0.625 0.791 -0.590) 1.168 4.142 ( 2.472 -2.812 0.667) 3.802 4.388 ( -1.156 -0.312 1.548) 1.957 7.341 ( -0.751 -0.619 0.909) 1.332 ======================= Grid point 142 (53/116) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -1.115 -5.284 2.103) 5.795 1.022 ( 2.949 -4.558 -1.883) 5.746 1.285 ( -12.080 11.933 1.251) 17.026 1.563 ( 1.035 1.327 -3.020) 3.458 1.659 ( 0.735 7.139 2.146) 7.491 1.816 ( -0.300 -6.932 -1.480) 7.094 1.966 ( -2.221 -1.626 0.967) 2.918 2.038 ( 4.810 -3.742 -0.195) 6.097 2.138 ( 3.506 -2.368 3.370) 5.409 2.160 ( -3.187 2.373 -1.264) 4.170 2.288 ( -0.830 0.922 -0.691) 1.420 2.360 ( 5.461 1.228 2.206) 6.016 2.695 ( -4.388 3.702 0.042) 5.741 2.785 ( 0.138 -0.654 -1.443) 1.590 2.861 ( 1.280 -3.854 -3.776) 5.545 3.198 ( -3.270 -2.174 1.018) 4.057 3.282 ( 2.359 2.642 2.567) 4.374 3.467 ( 2.260 -3.221 -0.636) 3.986 3.931 ( -0.710 4.281 -2.270) 4.898 3.975 ( -1.594 1.747 -1.003) 2.569 4.051 ( 2.254 0.733 0.718) 2.477 4.154 ( 2.234 -3.218 -0.104) 3.919 4.357 ( -2.279 -0.483 0.773) 2.454 7.327 ( -0.538 -0.362 0.537) 0.842 ======================= Grid point 143 (54/116) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( -1.235 -4.065 7.122) 8.293 1.041 ( 3.459 -0.844 -5.726) 6.743 1.201 ( -10.145 9.390 3.261) 14.203 1.534 ( -6.007 -0.883 -2.178) 6.450 1.649 ( -6.034 0.062 -4.972) 7.819 1.760 ( 1.744 -2.211 6.601) 7.177 1.955 ( 2.937 0.780 -0.021) 3.039 2.081 ( 1.493 -2.097 -2.287) 3.443 2.147 ( -1.288 -1.895 1.085) 2.535 2.187 ( 3.766 0.850 4.326) 5.799 2.207 ( -4.497 -3.663 -1.977) 6.128 2.489 ( 4.700 1.506 0.722) 4.988 2.724 ( 1.401 7.651 -0.321) 7.784 2.766 ( -0.908 0.361 -2.678) 2.851 2.842 ( 1.814 -2.957 -1.677) 3.853 3.138 ( -1.072 -3.016 2.120) 3.839 3.327 ( 0.261 0.679 1.387) 1.566 3.482 ( 2.569 -1.818 -0.905) 3.275 3.945 ( -0.708 2.216 -1.324) 2.677 3.967 ( -1.569 2.546 -0.415) 3.019 4.096 ( 2.259 -0.218 0.552) 2.336 4.153 ( 1.307 -2.097 -2.738) 3.688 4.316 ( -2.426 -0.161 2.068) 3.192 7.320 ( -0.235 -0.205 0.622) 0.696 ======================= Grid point 144 (55/116) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -2.811 -1.527 13.291) 13.671 1.025 ( -4.681 4.742 -5.510) 8.646 1.163 ( -4.248 -3.047 5.803) 7.811 1.388 ( -7.040 4.005 -0.176) 8.101 1.518 ( -6.990 -0.887 -3.370) 7.810 1.792 ( 0.954 -2.462 -0.297) 2.657 2.032 ( -7.496 0.959 0.062) 7.557 2.037 ( -3.646 -0.673 -0.812) 3.795 2.061 ( 0.544 -0.067 0.030) 0.549 2.098 ( -0.207 -0.368 3.022) 3.052 2.318 ( 8.673 -0.294 -0.417) 8.688 2.542 ( 4.534 -3.653 -2.428) 6.309 2.721 ( -3.572 -0.520 -3.109) 4.764 2.855 ( 4.281 6.302 0.383) 7.628 2.894 ( 5.296 1.192 3.481) 6.448 3.122 ( 1.221 -2.146 0.916) 2.633 3.320 ( -0.968 -0.971 0.599) 1.497 3.504 ( 1.375 0.048 -1.430) 1.984 3.942 ( -0.089 0.289 -1.976) 1.999 3.966 ( -0.699 0.414 0.274) 0.858 4.117 ( 0.997 -1.332 -0.736) 1.819 4.136 ( -0.487 0.344 -4.741) 4.779 4.297 ( -1.612 0.826 4.750) 5.084 7.321 ( 0.163 -0.142 1.260) 1.278 ======================= Grid point 149 (56/116) ======================= q-point: ( 0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -0.000 7.648 2.123) 7.938 0.982 ( -0.000 -7.752 4.307) 8.869 1.238 ( -0.000 6.857 1.648) 7.052 1.301 ( -0.000 -3.074 8.582) 9.116 1.493 ( -0.000 6.235 6.023) 8.669 1.723 ( -0.000 20.543 -3.235) 20.796 1.894 ( 0.000 -3.685 -6.057) 7.090 1.953 ( 0.000 10.455 -3.975) 11.185 2.167 ( 0.000 -6.943 1.117) 7.032 2.255 ( -0.000 3.840 5.006) 6.309 2.436 ( 0.000 -8.824 -1.088) 8.891 2.454 ( 0.000 2.296 -4.365) 4.932 2.669 ( 0.000 -5.232 -4.887) 7.160 2.852 ( -0.000 -6.397 6.549) 9.155 2.877 ( 0.000 -7.798 0.647) 7.825 3.278 ( 0.000 5.736 -2.554) 6.279 3.282 ( -0.000 0.979 0.261) 1.013 3.513 ( 0.000 0.380 -1.989) 2.025 3.834 ( 0.000 -1.314 -1.304) 1.852 3.896 ( 0.000 -2.944 -0.957) 3.095 4.046 ( 0.000 2.481 -3.499) 4.290 4.211 ( -0.000 2.903 0.896) 3.038 4.339 ( -0.000 -1.584 4.089) 4.386 7.375 ( -0.000 -1.460 1.963) 2.447 ======================= Grid point 150 (57/116) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 1.820 -0.041 0.013) 1.821 0.952 ( 5.478 0.935 5.829) 8.054 1.213 ( -1.088 -1.924 3.272) 3.949 1.382 ( 5.248 0.016 -1.642) 5.499 1.580 ( -0.045 6.583 8.469) 10.727 1.796 ( -4.284 4.999 -3.988) 7.698 1.972 ( 2.891 4.127 -3.639) 6.215 2.014 ( 3.828 5.079 -1.300) 6.491 2.136 ( -2.125 4.595 -1.651) 5.325 2.191 ( -6.659 0.959 2.778) 7.279 2.323 ( -2.714 -6.512 -0.931) 7.116 2.504 ( -0.458 -3.464 -4.986) 6.089 2.620 ( 3.333 0.407 -0.512) 3.397 2.802 ( 0.970 -8.396 5.687) 10.188 2.854 ( 3.107 -4.582 0.615) 5.571 3.253 ( -4.447 3.101 0.088) 5.422 3.323 ( -0.004 2.072 -2.290) 3.088 3.484 ( -1.949 -0.292 -0.543) 2.045 3.844 ( 2.114 -0.283 -1.938) 2.882 3.905 ( 4.365 -2.477 0.524) 5.046 4.047 ( -1.147 2.108 -3.131) 3.945 4.188 ( -4.229 1.183 0.974) 4.498 4.368 ( 2.342 -0.877 2.742) 3.710 7.364 ( -0.445 -1.087 1.209) 1.686 ======================= Grid point 151 (58/116) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -2.779 -4.726 0.152) 5.485 1.030 ( -3.067 0.155 1.992) 3.661 1.336 ( 12.622 1.536 4.659) 13.542 1.455 ( 5.698 -0.866 -3.515) 6.751 1.669 ( -0.300 6.046 4.423) 7.497 1.756 ( -4.290 5.684 -4.210) 8.272 1.955 ( 1.134 -3.537 1.919) 4.181 2.035 ( -5.846 -3.217 1.057) 6.756 2.144 ( -2.770 2.997 -3.157) 5.160 2.184 ( 2.775 1.948 1.256) 3.616 2.281 ( 0.760 2.937 -1.667) 3.462 2.393 ( -5.163 -1.327 -3.355) 6.299 2.703 ( 4.255 0.502 -0.246) 4.291 2.774 ( 1.497 -4.885 2.218) 5.570 2.856 ( 0.933 -5.092 1.562) 5.407 3.219 ( -2.303 3.371 1.578) 4.377 3.309 ( -1.498 0.292 -2.458) 2.893 3.449 ( -1.560 -1.098 -0.030) 1.908 3.885 ( 3.128 1.125 -1.476) 3.637 3.972 ( 4.415 -1.083 0.124) 4.547 4.031 ( -1.629 2.018 -1.917) 3.226 4.130 ( -3.075 -0.541 1.285) 3.376 4.395 ( 0.621 -0.654 1.254) 1.545 7.349 ( -0.609 -0.711 0.561) 1.091 ======================= Grid point 152 (59/116) ======================= q-point: ( 0.70 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -2.545 -3.079 1.743) 4.358 0.970 ( -1.377 -2.135 -1.251) 2.832 1.513 ( 2.459 6.134 -0.326) 6.616 1.533 ( 1.824 -1.084 0.561) 2.195 1.706 ( -0.337 7.232 1.141) 7.329 1.770 ( -0.726 -2.241 -1.917) 3.037 1.908 ( 0.912 -4.409 0.031) 4.503 1.969 ( 1.819 -2.504 3.469) 4.649 2.123 ( -3.052 1.372 -2.030) 3.914 2.225 ( 2.590 1.173 -0.786) 2.950 2.304 ( -1.717 0.137 0.269) 1.743 2.316 ( -1.652 1.163 -0.420) 2.063 2.757 ( 1.283 -1.138 -0.576) 1.809 2.774 ( 1.358 0.468 -0.032) 1.436 2.801 ( -1.612 -2.790 0.663) 3.290 3.224 ( -1.272 -1.119 0.664) 1.819 3.308 ( 0.730 4.582 -0.251) 4.646 3.403 ( -0.779 -3.741 -0.112) 3.823 3.959 ( 3.317 3.100 -0.558) 4.574 3.995 ( -0.917 1.221 -1.621) 2.227 4.042 ( 0.550 1.028 0.037) 1.166 4.090 ( 0.253 -3.005 1.228) 3.256 4.385 ( -1.159 -0.666 0.363) 1.385 7.334 ( -0.552 -0.426 0.201) 0.726 ======================= Grid point 153 (60/116) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( -0.385 -0.550 4.413) 4.464 0.962 ( 2.586 0.436 -2.679) 3.749 1.456 ( -10.083 0.400 1.962) 10.280 1.594 ( -0.463 5.003 -3.905) 6.363 1.627 ( -1.315 -8.672 -0.524) 8.787 1.815 ( 1.179 5.532 6.781) 8.830 1.936 ( -0.150 -0.611 -1.401) 1.536 2.014 ( 1.719 2.928 -4.592) 5.711 2.071 ( 4.063 -6.104 1.264) 7.441 2.210 ( -5.247 1.405 0.581) 5.463 2.288 ( -2.700 0.635 1.221) 3.031 2.367 ( 7.783 -2.081 -1.151) 8.138 2.770 ( 0.324 1.349 0.484) 1.469 2.773 ( -0.108 -0.064 -0.103) 0.162 2.793 ( 0.885 0.960 -0.847) 1.557 3.180 ( -3.278 0.214 1.409) 3.575 3.328 ( -0.994 -1.931 -0.344) 2.199 3.410 ( 4.039 0.639 -0.489) 4.119 3.983 ( -1.602 1.402 -0.805) 2.277 4.015 ( -1.837 0.862 1.541) 2.548 4.053 ( 2.664 0.135 0.173) 2.673 4.096 ( 2.372 -0.983 -2.556) 3.623 4.355 ( -1.658 -0.418 1.010) 1.986 7.324 ( -0.325 -0.253 0.232) 0.473 ======================= Grid point 154 (61/116) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 0.073 1.781 7.979) 8.175 1.035 ( 3.605 3.818 -3.620) 6.378 1.242 ( -8.940 -9.026 5.280) 13.757 1.545 ( 0.144 -3.298 -5.462) 6.382 1.597 ( -8.070 6.674 1.345) 10.559 1.798 ( -5.401 0.665 1.794) 5.730 1.990 ( 5.415 0.471 4.158) 6.844 2.034 ( 2.416 -0.011 -5.910) 6.385 2.130 ( -2.089 -0.579 1.803) 2.819 2.136 ( 0.818 0.533 -1.037) 1.424 2.269 ( -2.095 3.358 2.264) 4.560 2.408 ( 3.274 -5.833 -5.708) 8.793 2.735 ( -0.627 -5.362 0.168) 5.401 2.807 ( 2.944 0.869 1.369) 3.361 2.892 ( 3.507 8.519 1.547) 9.341 3.134 ( -2.996 0.541 2.000) 3.643 3.296 ( 0.936 -3.469 -1.558) 3.916 3.480 ( 2.335 2.358 -0.567) 3.366 3.957 ( -1.836 0.073 -1.023) 2.103 3.979 ( -1.683 -2.278 1.059) 3.024 4.067 ( 1.311 -2.066 -2.888) 3.785 4.140 ( 1.345 3.326 -1.397) 3.850 4.338 ( -0.922 0.188 2.813) 2.966 7.321 ( 0.034 -0.192 0.678) 0.705 ======================= Grid point 160 (62/116) ======================= q-point: ( 0.50 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -0.000 -6.628 2.174) 6.976 0.888 ( -0.000 7.929 5.487) 9.642 1.257 ( 0.000 -2.714 -4.392) 5.163 1.281 ( -0.000 -2.063 0.908) 2.254 1.664 ( -0.000 5.063 6.728) 8.420 1.899 ( -0.000 5.931 0.427) 5.946 1.935 ( 0.000 -6.431 -0.547) 6.454 2.041 ( 0.000 13.156 -3.310) 13.566 2.209 ( 0.000 8.380 -3.551) 9.102 2.225 ( 0.000 -8.454 -3.029) 8.980 2.349 ( -0.000 0.345 2.737) 2.759 2.453 ( 0.000 -0.172 -3.084) 3.089 2.561 ( 0.000 -2.506 -1.305) 2.825 2.728 ( -0.000 -8.668 6.733) 10.976 2.797 ( 0.000 -2.603 0.280) 2.618 3.298 ( 0.000 0.543 -0.138) 0.561 3.365 ( 0.000 4.947 -3.016) 5.794 3.501 ( -0.000 -1.034 0.379) 1.101 3.809 ( 0.000 -0.521 -0.348) 0.626 3.841 ( -0.000 -2.138 0.636) 2.230 4.068 ( 0.000 2.090 -2.530) 3.281 4.256 ( -0.000 1.380 0.095) 1.384 4.328 ( -0.000 -1.928 2.639) 3.268 7.360 ( -0.000 -0.919 0.586) 1.090 ======================= Grid point 161 (63/116) ======================= q-point: ( 0.60 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -2.392 -2.575 1.948) 4.018 1.085 ( 10.041 4.016 4.336) 11.651 1.139 ( -2.826 -4.868 -3.242) 6.496 1.344 ( 5.773 -0.033 -1.584) 5.986 1.723 ( 0.429 3.180 0.949) 3.346 1.841 ( -3.410 -2.818 1.194) 4.582 1.965 ( -1.396 6.015 2.923) 6.832 2.073 ( -1.318 -5.219 -1.920) 5.715 2.200 ( 0.481 4.026 -2.272) 4.648 2.240 ( -7.279 0.284 1.513) 7.440 2.287 ( 0.592 4.956 -4.558) 6.759 2.425 ( -1.451 -0.075 -3.501) 3.790 2.615 ( 5.206 -1.768 0.882) 5.568 2.702 ( 3.030 -5.440 5.569) 8.354 2.794 ( 1.577 -1.475 0.665) 2.259 3.281 ( -1.988 -0.206 -0.000) 1.998 3.359 ( -3.929 2.981 -3.039) 5.793 3.476 ( -1.390 -0.492 0.986) 1.774 3.835 ( 2.644 0.393 -0.404) 2.703 3.874 ( 4.956 -1.197 1.537) 5.325 4.070 ( -1.152 1.967 -1.569) 2.767 4.204 ( -4.780 -0.269 0.958) 4.883 4.361 ( 2.703 -1.042 0.597) 2.958 7.351 ( -0.317 -0.634 -0.001) 0.709 ======================= Grid point 162 (64/116) ======================= q-point: (-0.30 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -3.330 0.208 1.413) 3.623 1.004 ( -4.974 -1.787 -2.570) 5.876 1.336 ( 15.219 -3.337 -1.817) 15.686 1.465 ( 5.711 2.800 2.119) 6.704 1.728 ( 0.795 -2.938 -2.634) 4.025 1.813 ( -1.904 4.452 2.057) 5.260 1.939 ( -1.631 -3.983 1.625) 4.601 1.996 ( -8.501 0.953 2.123) 8.814 2.149 ( 2.668 0.198 -0.234) 2.685 2.207 ( -4.163 1.135 -2.141) 4.817 2.314 ( 0.233 -0.257 -2.139) 2.167 2.399 ( -3.325 3.353 -1.016) 4.830 2.683 ( 4.860 -1.001 1.002) 5.062 2.742 ( 2.831 -1.254 1.579) 3.476 2.808 ( 0.125 -0.209 0.874) 0.907 3.234 ( -1.819 -2.174 -1.355) 3.142 3.321 ( -1.038 2.182 -0.993) 2.612 3.442 ( -3.304 0.103 1.138) 3.496 3.903 ( 4.237 1.074 0.465) 4.396 3.960 ( 4.962 -0.100 0.228) 4.968 4.061 ( -1.616 1.811 -0.389) 2.458 4.125 ( -4.121 -1.120 1.780) 4.627 4.380 ( 0.762 -0.945 -0.854) 1.484 7.339 ( -0.439 -0.375 -0.356) 0.679 ======================= Grid point 163 (65/116) ======================= q-point: (-0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -2.148 1.690 -0.828) 2.856 0.948 ( -0.307 1.539 -0.841) 1.781 1.484 ( 5.806 -5.833 -3.046) 8.775 1.546 ( -0.376 -3.474 3.597) 5.015 1.646 ( -1.966 -2.186 -2.808) 4.066 1.867 ( 1.762 8.186 -1.616) 8.528 1.916 ( 2.351 -4.710 2.676) 5.905 1.949 ( 0.601 2.319 4.621) 5.205 2.100 ( -6.828 0.452 -3.362) 7.624 2.219 ( 4.559 -2.723 -1.058) 5.414 2.299 ( 0.557 -1.344 -0.651) 1.594 2.349 ( -5.828 3.024 2.040) 6.875 2.770 ( 1.706 1.153 0.304) 2.082 2.777 ( 2.091 3.222 -0.432) 3.865 2.784 ( -1.226 -1.209 0.350) 1.757 3.198 ( 1.131 -1.568 -1.735) 2.598 3.322 ( -2.061 -3.021 0.772) 3.738 3.406 ( -0.670 4.000 0.292) 4.067 3.974 ( 2.726 -0.730 0.800) 2.933 4.031 ( 2.158 -1.595 -1.295) 2.980 4.057 ( -2.024 1.242 -0.106) 2.377 4.062 ( -0.562 1.894 2.846) 3.464 4.368 ( -0.483 -0.791 -1.191) 1.509 7.327 ( -0.356 -0.215 -0.360) 0.550 ======================= Grid point 164 (66/116) ======================= q-point: (-0.10 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 1.596 2.764 -0.000) 3.191 1.012 ( 3.379 5.852 -0.000) 6.757 1.291 ( -8.603 -14.900 0.000) 17.206 1.500 ( -0.373 -0.646 -0.000) 0.746 1.719 ( 0.780 1.352 0.000) 1.561 1.903 ( -2.206 -3.821 0.000) 4.412 1.937 ( 0.734 1.272 -0.000) 1.469 1.967 ( 2.203 3.815 0.000) 4.406 2.104 ( 3.236 5.606 -0.000) 6.473 2.188 ( -2.232 -3.866 -0.000) 4.464 2.299 ( -0.545 -0.944 -0.000) 1.090 2.334 ( 0.581 1.006 0.000) 1.162 2.691 ( -2.724 -4.718 -0.000) 5.448 2.800 ( 0.725 1.255 -0.000) 1.449 2.909 ( 4.350 7.534 0.000) 8.700 3.219 ( -3.139 -5.436 -0.000) 6.277 3.221 ( 0.842 1.458 0.000) 1.684 3.470 ( 2.122 3.675 -0.000) 4.244 3.975 ( -1.359 -2.354 -0.000) 2.719 3.992 ( -1.494 -2.587 0.000) 2.988 4.030 ( -0.261 -0.452 -0.000) 0.522 4.143 ( 2.320 4.018 -0.000) 4.639 4.352 ( -0.213 -0.368 0.000) 0.425 7.321 ( -0.094 -0.163 -0.000) 0.189 ======================= Grid point 172 (67/116) ======================= q-point: (-0.40 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -0.000 -0.473 3.941) 3.969 0.942 ( 0.000 -4.862 -4.075) 6.344 1.236 ( 0.000 -1.605 -3.411) 3.770 1.247 ( -0.000 4.486 3.821) 5.893 1.710 ( 0.000 -3.292 -3.425) 4.751 1.866 ( -0.000 0.394 5.051) 5.067 2.003 ( 0.000 -4.167 -1.004) 4.286 2.103 ( -0.000 5.352 1.568) 5.577 2.186 ( 0.000 2.123 -0.453) 2.171 2.298 ( 0.000 2.791 -5.546) 6.208 2.344 ( 0.000 -1.702 -1.227) 2.098 2.425 ( 0.000 1.467 -3.757) 4.033 2.545 ( -0.000 0.479 0.348) 0.592 2.638 ( -0.000 -5.049 8.039) 9.493 2.783 ( -0.000 0.706 1.252) 1.437 3.299 ( 0.000 -0.089 -0.872) 0.877 3.413 ( 0.000 1.843 -4.083) 4.479 3.484 ( -0.000 -0.858 1.993) 2.170 3.811 ( -0.000 0.402 1.082) 1.154 3.832 ( -0.000 0.134 2.474) 2.477 4.094 ( 0.000 1.713 -0.600) 1.815 4.266 ( 0.000 -0.180 -0.693) 0.716 4.304 ( -0.000 -1.685 0.785) 1.859 7.347 ( 0.000 -0.432 -0.575) 0.719 ======================= Grid point 173 (68/116) ======================= q-point: (-0.30 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -2.507 2.170 0.129) 3.319 0.970 ( 8.756 -6.916 -3.108) 11.582 1.137 ( -2.193 0.188 -3.085) 3.790 1.399 ( 6.916 2.540 3.997) 8.382 1.657 ( 0.781 -6.095 -1.635) 6.359 1.888 ( -1.596 2.642 -1.001) 3.245 1.928 ( -1.657 -4.245 1.677) 4.855 2.121 ( -2.419 4.929 2.006) 5.846 2.199 ( -7.678 -1.964 -1.888) 8.147 2.231 ( 0.810 -2.180 1.080) 2.564 2.297 ( -0.986 -1.595 -4.259) 4.653 2.460 ( 0.517 4.383 -1.493) 4.659 2.598 ( 4.643 1.865 -1.130) 5.130 2.676 ( 3.676 -1.309 5.534) 6.772 2.809 ( 0.875 1.471 1.962) 2.604 3.259 ( -3.584 -1.069 -1.911) 4.200 3.368 ( -2.827 -0.138 -2.670) 3.890 3.488 ( -0.951 0.594 2.047) 2.334 3.859 ( 3.038 1.867 0.953) 3.691 3.878 ( 4.036 -0.075 2.553) 4.777 4.100 ( -0.990 1.433 0.519) 1.817 4.194 ( -4.590 -1.161 0.645) 4.778 4.336 ( 2.636 -1.171 -1.567) 3.282 7.339 ( -0.235 -0.216 -0.964) 1.015 ======================= Grid point 174 (69/116) ======================= q-point: (-0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -3.906 0.273 -7.935) 8.848 0.982 ( -0.491 0.704 3.542) 3.644 1.244 ( 12.624 -2.842 -4.302) 13.636 1.513 ( 4.045 -2.049 1.947) 4.934 1.606 ( 0.156 -7.198 1.941) 7.457 1.817 ( -0.945 -3.279 -2.742) 4.378 1.954 ( -0.504 6.024 0.517) 6.067 2.049 ( -5.609 0.882 3.071) 6.455 2.158 ( 1.422 -1.886 -1.027) 2.576 2.181 ( -3.226 -2.449 1.230) 4.233 2.245 ( -0.035 -1.599 -4.448) 4.726 2.476 ( -3.962 2.870 2.935) 5.704 2.724 ( 6.226 4.639 0.265) 7.769 2.740 ( 2.885 0.120 1.190) 3.123 2.835 ( -1.511 2.198 -0.127) 2.670 3.165 ( -2.679 -2.499 -2.793) 4.607 3.338 ( -0.770 0.010 -0.455) 0.894 3.467 ( -2.457 1.250 1.545) 3.161 3.927 ( 2.590 0.242 1.985) 3.272 3.966 ( 4.324 0.459 -0.223) 4.354 4.098 ( -0.893 1.565 1.381) 2.270 4.116 ( -3.738 -1.150 2.417) 4.598 4.346 ( 1.031 -1.078 -3.005) 3.355 7.329 ( -0.309 -0.087 -1.013) 1.063 ======================= Grid point 183 (70/116) ======================= q-point: (-0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 0.000 -6.016 -3.403) 6.912 0.834 ( 0.000 1.314 -3.778) 3.999 1.195 ( -0.000 0.326 0.310) 0.450 1.326 ( -0.000 -1.906 1.587) 2.480 1.581 ( 0.000 -7.014 -0.582) 7.038 1.921 ( -0.000 -0.359 2.480) 2.506 1.937 ( 0.000 4.248 -2.966) 5.181 2.103 ( -0.000 -10.239 2.797) 10.614 2.225 ( 0.000 -6.687 -2.242) 7.053 2.264 ( 0.000 -3.933 -4.980) 6.346 2.286 ( -0.000 8.578 2.541) 8.946 2.472 ( 0.000 5.030 -3.235) 5.980 2.577 ( 0.000 3.743 -2.394) 4.443 2.680 ( -0.000 3.109 7.963) 8.549 2.826 ( -0.000 1.807 2.588) 3.156 3.285 ( 0.000 -0.452 -1.175) 1.259 3.365 ( 0.000 -2.873 -4.119) 5.022 3.514 ( -0.000 1.746 2.082) 2.717 3.836 ( -0.000 0.950 1.860) 2.089 3.876 ( -0.000 2.013 3.375) 3.930 4.124 ( -0.000 0.791 1.491) 1.688 4.240 ( 0.000 -1.713 -1.263) 2.128 4.275 ( 0.000 -1.051 -1.245) 1.629 7.336 ( 0.000 -0.025 -1.435) 1.435 ======================= Grid point 184 (71/116) ======================= q-point: (-0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -3.065 -3.054 -13.277) 13.965 0.868 ( 10.954 -3.725 2.171) 11.772 1.159 ( -2.287 2.941 1.518) 4.023 1.380 ( 6.254 -6.875 1.381) 9.396 1.521 ( 1.550 -6.777 0.500) 6.970 1.861 ( -4.653 -0.714 0.152) 4.710 2.005 ( 1.767 4.351 -0.787) 4.761 2.043 ( 2.610 -8.250 1.826) 8.843 2.121 ( -3.236 -4.533 -2.630) 6.160 2.162 ( -2.100 -7.100 -1.202) 7.501 2.330 ( -4.508 7.543 0.343) 8.794 2.541 ( 1.365 5.096 -2.734) 5.942 2.657 ( 4.994 2.171 0.846) 5.511 2.747 ( -0.034 5.588 4.785) 7.356 2.863 ( 0.778 2.770 1.421) 3.209 3.220 ( -5.473 -1.222 -2.544) 6.158 3.328 ( 0.704 -1.757 -2.025) 2.772 3.519 ( -1.943 0.908 1.952) 2.901 3.898 ( 4.252 0.902 1.553) 4.616 3.918 ( 0.925 2.222 2.396) 3.396 4.127 ( -0.756 -0.075 2.314) 2.435 4.172 ( -3.426 -1.551 0.836) 3.853 4.294 ( 2.233 -1.174 -3.549) 4.354 7.329 ( -0.183 0.089 -1.580) 1.593 ======================= Grid point 194 (72/116) ======================= q-point: (-0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -0.000 -2.104 3.227) 3.853 0.712 ( 0.000 -5.772 -15.933) 16.946 1.181 ( 0.000 -10.323 -3.247) 10.822 1.291 ( -0.000 4.154 9.356) 10.237 1.439 ( 0.000 -6.871 -1.697) 7.077 1.784 ( 0.000 -18.914 1.482) 18.972 2.010 ( 0.000 -6.261 0.874) 6.322 2.030 ( -0.000 6.254 6.025) 8.684 2.089 ( 0.000 2.544 -5.103) 5.702 2.117 ( 0.000 -5.900 -7.084) 9.219 2.462 ( -0.000 7.778 0.988) 7.840 2.551 ( -0.000 3.368 1.107) 3.545 2.638 ( 0.000 4.113 -4.329) 5.971 2.849 ( -0.000 8.247 6.513) 10.509 2.889 ( -0.000 3.474 1.496) 3.782 3.264 ( 0.000 -4.575 -3.242) 5.607 3.268 ( 0.000 -0.519 -0.849) 0.995 3.563 ( -0.000 1.668 1.451) 2.211 3.868 ( -0.000 0.988 1.469) 1.770 3.950 ( -0.000 3.077 2.782) 4.148 4.136 ( -0.000 -1.530 3.259) 3.600 4.183 ( 0.000 -3.030 -1.313) 3.302 4.249 ( 0.000 -0.123 -2.626) 2.629 7.326 ( 0.000 0.219 -1.884) 1.897 ======================= Grid point 229 (73/116) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.163 ( -0.000 0.000 7.285) 7.285 0.163 ( -0.000 -0.000 7.285) 7.285 0.813 ( -0.000 0.000 35.489) 35.489 1.016 ( 0.000 -0.000 -5.987) 5.987 1.016 ( 0.000 -0.000 -5.987) 5.987 1.807 ( -0.000 0.000 7.772) 7.772 1.807 ( -0.000 -0.000 7.772) 7.772 1.992 ( 0.000 -0.000 -12.620) 12.620 2.318 ( 0.000 -0.000 -4.276) 4.276 2.318 ( 0.000 -0.000 -4.276) 4.276 2.509 ( 0.000 -0.000 -10.510) 10.510 2.762 ( -0.000 0.000 0.205) 0.205 2.762 ( -0.000 0.000 0.205) 0.205 2.799 ( -0.000 0.000 8.973) 8.973 3.007 ( -0.000 0.000 3.975) 3.975 3.216 ( -0.000 0.000 0.060) 0.060 3.216 ( -0.000 -0.000 0.060) 0.060 3.573 ( 0.000 -0.000 -9.332) 9.332 3.947 ( -0.000 0.000 0.699) 0.699 3.947 ( -0.000 -0.000 0.699) 0.699 3.999 ( -0.000 0.000 0.193) 0.193 3.999 ( -0.000 -0.000 0.193) 0.193 4.330 ( -0.000 0.000 6.115) 6.115 7.504 ( -0.000 0.000 0.105) 0.105 ======================= Grid point 230 (74/116) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.309 ( 13.296 7.677 -0.291) 15.356 0.671 ( 22.387 12.925 2.006) 25.928 0.876 ( -0.732 -0.423 18.713) 18.732 1.103 ( 3.809 2.199 -2.450) 5.035 1.116 ( 11.821 6.825 9.187) 16.453 1.681 ( -12.981 -7.494 -0.182) 14.990 1.731 ( -2.821 -1.629 4.276) 5.376 1.914 ( 0.873 0.504 5.083) 5.182 2.300 ( 1.744 1.007 -10.848) 11.033 2.346 ( 0.573 0.331 -1.922) 2.032 2.506 ( -2.551 -1.473 0.309) 2.962 2.707 ( -4.369 -2.523 0.114) 5.047 2.727 ( -3.879 -2.239 -5.196) 6.860 2.902 ( 5.638 3.255 3.625) 7.452 3.041 ( 0.790 0.456 -0.445) 1.015 3.225 ( 0.871 0.503 -0.023) 1.006 3.265 ( 1.804 1.042 -1.903) 2.822 3.492 ( -2.379 -1.374 -5.814) 6.431 3.903 ( -1.908 -1.102 -0.257) 2.218 3.935 ( -0.802 -0.463 -3.013) 3.152 4.044 ( 2.662 1.537 0.240) 3.083 4.058 ( 3.106 1.793 0.924) 3.704 4.340 ( -0.661 -0.382 5.781) 5.831 7.451 ( -3.383 -1.953 3.185) 5.040 ======================= Grid point 231 (75/116) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 13.522 7.807 -3.120) 15.923 0.961 ( 1.315 0.759 21.037) 21.091 1.114 ( 16.548 9.554 -0.227) 19.109 1.148 ( -0.354 -0.204 3.665) 3.687 1.464 ( -0.063 -0.036 0.835) 0.838 1.514 ( 12.473 7.201 3.045) 14.721 1.730 ( 2.469 1.425 -1.211) 3.097 1.881 ( -2.923 -1.688 -5.113) 6.127 2.263 ( -3.512 -2.028 0.580) 4.097 2.327 ( -2.178 -1.257 0.994) 2.704 2.496 ( 1.739 1.004 1.778) 2.682 2.562 ( -7.771 -4.487 -6.193) 10.903 2.587 ( -5.683 -3.281 -0.423) 6.575 3.016 ( 2.398 1.384 1.752) 3.276 3.064 ( 1.669 0.963 -0.439) 1.976 3.183 ( -5.902 -3.407 -3.051) 7.467 3.246 ( 0.797 0.460 0.175) 0.937 3.493 ( 2.290 1.322 -3.196) 4.148 3.868 ( -0.984 -0.568 -1.125) 1.599 3.907 ( -0.466 -0.269 -2.680) 2.734 4.067 ( -0.515 -0.297 -1.880) 1.972 4.131 ( 2.861 1.652 1.266) 3.538 4.357 ( 0.494 0.285 4.608) 4.643 7.400 ( -2.238 -1.292 3.152) 4.076 ======================= Grid point 232 (76/116) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 8.358 4.825 -1.894) 9.835 1.016 ( -2.007 -1.159 9.405) 9.686 1.134 ( -0.744 -0.430 4.460) 4.542 1.324 ( 0.235 0.136 3.234) 3.246 1.561 ( 13.285 7.670 1.846) 15.451 1.712 ( -3.085 -1.781 -2.585) 4.401 1.827 ( 6.519 3.764 -4.099) 8.571 1.915 ( 10.674 6.163 -4.161) 13.009 2.217 ( -0.950 -0.549 6.646) 6.735 2.249 ( -5.450 -3.147 3.506) 7.204 2.344 ( -7.619 -4.399 -5.275) 10.258 2.467 ( -4.456 -2.573 -0.872) 5.219 2.566 ( 2.220 1.282 0.009) 2.564 2.964 ( -5.323 -3.073 -0.497) 6.166 3.061 ( -3.024 -1.746 -6.946) 7.774 3.141 ( 2.985 1.723 4.943) 6.026 3.260 ( 0.352 0.203 0.672) 0.785 3.525 ( 1.211 0.699 -2.360) 2.743 3.849 ( -0.262 -0.151 -1.693) 1.720 3.902 ( 0.506 0.292 -0.548) 0.801 4.031 ( -1.301 -0.751 -2.608) 3.010 4.191 ( 2.043 1.179 1.342) 2.714 4.379 ( 0.010 0.006 2.496) 2.496 7.368 ( -1.527 -0.882 2.116) 2.754 ======================= Grid point 233 (77/116) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -3.279 -1.893 5.261) 6.482 0.949 ( -4.331 -2.501 -0.949) 5.091 1.219 ( 7.086 4.091 -3.622) 8.948 1.323 ( -0.897 -0.518 -0.035) 1.036 1.598 ( -2.861 -1.652 2.226) 3.983 1.904 ( 12.250 7.073 4.547) 14.858 1.973 ( 7.085 4.091 -3.970) 9.094 2.073 ( 4.710 2.719 0.051) 5.439 2.119 ( -7.057 -4.075 -3.047) 8.700 2.122 ( -6.154 -3.553 3.408) 7.881 2.324 ( 2.818 1.627 2.753) 4.263 2.378 ( -3.686 -2.128 0.636) 4.304 2.587 ( 0.009 0.005 -0.696) 0.696 2.848 ( -3.862 -2.230 -1.241) 4.629 2.969 ( -2.624 -1.515 -9.241) 9.725 3.222 ( 2.233 1.289 6.647) 7.129 3.267 ( 0.041 0.024 1.143) 1.144 3.531 ( 0.243 0.140 -2.100) 2.119 3.843 ( 0.247 0.143 -1.869) 1.891 3.911 ( 0.188 0.108 -1.611) 1.625 4.016 ( 0.862 0.498 -0.003) 0.996 4.230 ( 0.934 0.539 1.294) 1.684 4.370 ( -1.226 -0.708 0.334) 1.454 7.345 ( -1.061 -0.613 1.280) 1.772 ======================= Grid point 234 (78/116) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -4.503 -2.600 4.452) 6.845 0.848 ( -3.753 -2.167 -1.464) 4.574 1.279 ( -1.173 -0.677 -6.763) 6.897 1.342 ( 3.902 2.253 -3.857) 5.931 1.596 ( 0.356 0.206 6.612) 6.625 1.954 ( -5.854 -3.380 -3.170) 7.466 1.982 ( -3.786 -2.186 0.578) 4.410 2.122 ( 4.831 2.789 6.368) 8.466 2.148 ( 6.905 3.987 -2.220) 8.276 2.191 ( 4.469 2.580 2.929) 5.934 2.299 ( -3.858 -2.227 2.677) 5.198 2.348 ( -0.725 -0.419 1.635) 1.837 2.571 ( -0.843 -0.487 -0.954) 1.363 2.796 ( -0.621 -0.358 -3.296) 3.373 2.884 ( -1.230 -0.710 -9.976) 10.077 3.271 ( -0.123 -0.071 1.355) 1.362 3.283 ( 0.840 0.485 7.568) 7.630 3.530 ( 0.400 0.231 -2.130) 2.180 3.846 ( 0.598 0.345 -1.813) 1.940 3.903 ( 0.245 0.142 -3.026) 3.040 4.061 ( 2.303 1.330 2.285) 3.506 4.242 ( -0.296 -0.171 1.251) 1.297 4.331 ( -1.934 -1.116 -1.427) 2.650 7.329 ( -0.656 -0.379 0.877) 1.159 ======================= Grid point 235 (79/116) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -3.058 -1.765 0.932) 3.652 0.773 ( -3.711 -2.142 5.282) 6.801 1.255 ( 1.870 1.080 -9.087) 9.341 1.334 ( -4.216 -2.434 0.176) 4.872 1.576 ( -4.800 -2.771 0.803) 5.600 1.888 ( 0.710 0.410 5.404) 5.466 1.954 ( 2.079 1.200 -3.547) 4.283 2.128 ( -6.769 -3.908 -1.107) 7.895 2.196 ( -4.281 -2.472 2.388) 5.490 2.206 ( -4.410 -2.546 5.681) 7.629 2.312 ( 6.827 3.941 -2.233) 8.193 2.413 ( 5.674 3.276 6.372) 9.139 2.575 ( 1.853 1.070 -0.953) 2.342 2.773 ( 1.578 0.911 -7.965) 8.171 2.864 ( 1.093 0.631 -5.161) 5.313 3.271 ( -0.243 -0.140 1.238) 1.269 3.307 ( -1.243 -0.718 6.376) 6.536 3.537 ( 1.053 0.608 -2.000) 2.341 3.856 ( 0.763 0.440 -1.697) 1.912 3.912 ( 1.497 0.864 -2.772) 3.267 4.121 ( 2.019 1.166 1.903) 3.009 4.226 ( -1.526 -0.881 1.277) 2.175 4.279 ( -2.020 -1.166 -1.860) 2.983 7.322 ( -0.266 -0.153 1.012) 1.058 ======================= Grid point 240 (80/116) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( -0.000 10.062 -0.213) 10.064 0.619 ( -0.000 30.049 -0.123) 30.050 0.922 ( 0.000 1.680 -1.788) 2.453 1.046 ( -0.000 2.114 26.668) 26.751 1.192 ( -0.000 10.878 -0.168) 10.879 1.665 ( -0.000 -14.171 3.170) 14.521 1.735 ( 0.000 -6.376 1.065) 6.465 2.006 ( -0.000 6.915 9.042) 11.383 2.177 ( 0.000 -6.420 -7.472) 9.851 2.330 ( 0.000 3.164 -8.504) 9.074 2.502 ( 0.000 -3.861 -0.755) 3.934 2.720 ( 0.000 -4.520 0.098) 4.521 2.763 ( 0.000 2.318 -7.392) 7.747 2.902 ( -0.000 4.346 2.686) 5.109 3.081 ( -0.000 3.498 -0.373) 3.518 3.196 ( -0.000 -3.474 1.560) 3.808 3.233 ( -0.000 1.295 -0.034) 1.295 3.486 ( 0.000 -0.787 -7.018) 7.062 3.915 ( 0.000 -2.663 -0.358) 2.687 3.921 ( 0.000 -0.226 -1.042) 1.066 4.033 ( -0.000 0.461 0.180) 0.495 4.055 ( -0.000 4.241 1.034) 4.366 4.363 ( -0.000 -0.729 5.349) 5.398 7.462 ( -0.000 -3.392 2.401) 4.156 ======================= Grid point 241 (81/116) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 6.720 13.441 -1.049) 15.063 0.868 ( 5.685 6.979 -1.990) 9.219 1.048 ( 2.616 7.503 15.902) 17.777 1.271 ( 2.907 13.591 4.177) 14.513 1.327 ( 13.396 5.126 5.331) 15.302 1.504 ( -4.863 -7.606 1.337) 9.126 1.712 ( 1.013 0.680 0.546) 1.337 1.992 ( -9.371 2.967 -0.763) 9.859 2.124 ( 4.709 -7.214 -3.444) 9.278 2.414 ( 2.902 4.989 -2.866) 6.444 2.431 ( 0.507 -7.340 2.327) 7.716 2.615 ( -4.971 -4.903 -2.221) 7.327 2.690 ( -7.190 -0.282 -4.772) 8.634 2.975 ( 4.142 0.826 1.959) 4.656 3.070 ( -1.666 1.792 -2.093) 3.220 3.155 ( -1.047 -5.945 1.679) 6.265 3.282 ( 0.891 1.740 -1.899) 2.725 3.455 ( 0.232 0.975 -3.180) 3.334 3.885 ( -0.506 -1.047 -2.537) 2.791 3.910 ( -0.995 1.027 -1.115) 1.813 4.067 ( 3.296 -1.531 0.427) 3.660 4.091 ( -0.685 2.854 0.486) 2.975 4.374 ( 0.105 -0.089 4.533) 4.536 7.426 ( -1.472 -2.402 2.654) 3.870 ======================= Grid point 242 (82/116) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 3.626 11.280 -0.503) 11.859 0.985 ( 6.367 -5.371 2.380) 8.663 1.194 ( 0.669 5.733 9.849) 11.416 1.388 ( -3.699 2.171 1.831) 4.663 1.427 ( 7.329 3.899 4.368) 9.381 1.698 ( 10.799 6.717 0.931) 12.751 1.766 ( 2.157 4.846 -4.570) 7.001 1.865 ( -2.483 4.479 -4.475) 6.800 2.129 ( 3.714 -6.006 1.871) 7.305 2.348 ( -1.747 -4.887 3.256) 6.127 2.403 ( -5.580 -6.085 -2.834) 8.729 2.501 ( -9.073 -0.411 -2.376) 9.388 2.590 ( 1.660 2.940 -0.418) 3.402 3.039 ( -2.001 0.869 -6.093) 6.472 3.045 ( -4.988 -5.703 1.206) 7.672 3.070 ( 6.014 -2.325 3.515) 7.344 3.284 ( -1.348 1.920 -0.379) 2.377 3.484 ( 2.379 -0.027 -1.499) 2.812 3.862 ( -0.727 0.366 -2.693) 2.813 3.912 ( -0.238 2.215 -0.170) 2.234 4.049 ( -2.429 -0.484 -1.658) 2.980 4.140 ( 3.779 -0.860 1.043) 4.013 4.394 ( 0.053 0.466 3.006) 3.042 7.390 ( -1.463 -1.532 2.032) 2.935 ======================= Grid point 243 (83/116) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -0.703 -4.330 1.417) 4.610 1.065 ( 4.947 2.143 -2.371) 5.890 1.196 ( -8.495 5.167 5.414) 11.321 1.383 ( -1.000 4.562 -1.858) 5.027 1.621 ( 0.473 -2.954 2.942) 4.196 1.714 ( 10.705 2.536 1.564) 11.112 1.954 ( 4.790 9.801 -1.978) 11.087 1.997 ( 6.908 3.738 -1.184) 7.944 2.134 ( -0.221 -3.206 0.984) 3.361 2.235 ( -6.360 -3.978 -2.201) 7.818 2.307 ( 0.853 -4.159 3.383) 5.429 2.351 ( -3.652 -3.027 0.096) 4.744 2.641 ( -0.963 4.549 -0.851) 4.727 2.902 ( -5.960 -3.687 -0.277) 7.014 2.969 ( -2.524 -1.705 -6.707) 7.366 3.171 ( 5.763 -0.866 4.335) 7.263 3.276 ( -1.046 0.178 1.020) 1.472 3.505 ( 1.367 -1.106 -1.534) 2.333 3.850 ( -0.608 1.454 -2.310) 2.796 3.935 ( -0.888 2.962 -0.224) 3.101 4.008 ( -0.306 -0.290 -1.040) 1.122 4.190 ( 3.133 -1.831 0.795) 3.715 4.395 ( -1.324 0.167 1.238) 1.820 7.361 ( -1.178 -1.002 1.286) 2.011 ======================= Grid point 244 (84/116) ======================= q-point: ( 0.70 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -0.886 -5.671 1.103) 5.845 1.080 ( -11.960 8.967 2.446) 15.147 1.132 ( 3.982 -6.590 -2.271) 8.028 1.416 ( -0.589 8.979 -8.101) 12.108 1.618 ( 0.364 0.011 7.821) 7.829 1.911 ( 7.364 -3.415 -1.530) 8.260 2.017 ( -1.566 -2.831 0.738) 3.318 2.065 ( -4.186 0.785 -2.656) 5.019 2.137 ( 5.021 1.109 3.705) 6.337 2.182 ( 2.195 7.070 2.984) 7.982 2.257 ( 1.295 -6.967 -0.011) 7.086 2.361 ( 1.849 -0.085 1.780) 2.568 2.633 ( -4.572 3.200 -0.292) 5.589 2.798 ( -1.985 -1.631 -2.107) 3.323 2.882 ( -2.735 -0.687 -8.123) 8.598 3.253 ( 0.365 -2.266 3.840) 4.474 3.274 ( 3.199 -0.152 3.156) 4.496 3.506 ( 1.087 -1.246 -1.563) 2.276 3.853 ( -0.329 2.419 -2.017) 3.167 3.923 ( -2.130 2.494 -2.490) 4.118 4.038 ( 2.485 0.846 1.474) 3.011 4.213 ( 1.958 -2.669 0.271) 3.322 4.364 ( -2.468 0.016 0.140) 2.472 7.340 ( -0.802 -0.629 0.873) 1.342 ======================= Grid point 245 (85/116) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 0.069 -4.171 5.439) 6.854 0.964 ( -10.937 7.832 -0.527) 13.462 1.127 ( 3.351 -4.578 -1.948) 5.999 1.452 ( -2.934 7.172 -5.913) 9.747 1.636 ( -3.292 -0.215 3.131) 4.548 1.867 ( -0.701 -4.787 1.771) 5.152 1.946 ( -0.943 -0.741 -1.079) 1.613 2.134 ( 5.315 0.611 -0.143) 5.352 2.177 ( 0.824 -6.089 2.341) 6.576 2.241 ( 1.152 -2.247 3.945) 4.684 2.250 ( -1.558 0.172 -1.339) 2.061 2.427 ( 2.603 4.739 4.301) 6.909 2.596 ( -1.314 4.317 -0.604) 4.553 2.748 ( -1.765 0.006 -6.842) 7.066 2.841 ( 0.525 0.981 -4.433) 4.571 3.234 ( 0.891 -4.484 2.792) 5.356 3.329 ( 1.089 -0.408 4.089) 4.251 3.510 ( 1.257 -0.862 -1.847) 2.395 3.872 ( -0.141 3.526 -1.461) 3.819 3.909 ( -1.176 2.427 -2.935) 3.986 4.096 ( 2.592 0.579 1.226) 2.925 4.205 ( 0.774 -3.462 -0.969) 3.677 4.321 ( -2.797 0.422 0.825) 2.946 7.328 ( -0.363 -0.343 0.944) 1.068 ======================= Grid point 251 (86/116) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 0.000 6.786 -1.974) 7.068 1.074 ( -0.000 9.932 3.981) 10.700 1.151 ( -0.000 5.523 9.933) 11.365 1.194 ( -0.000 13.351 -1.135) 13.399 1.378 ( -0.000 5.076 10.173) 11.369 1.497 ( -0.000 -2.388 1.418) 2.777 1.736 ( -0.000 6.357 -0.223) 6.361 1.978 ( 0.000 -6.960 -8.422) 10.925 2.188 ( -0.000 5.191 7.018) 8.729 2.319 ( 0.000 -3.537 -2.290) 4.214 2.396 ( 0.000 -1.611 -2.175) 2.707 2.597 ( 0.000 -7.651 -0.585) 7.674 2.721 ( 0.000 -1.499 -7.525) 7.673 2.936 ( -0.000 -1.838 0.509) 1.907 3.066 ( -0.000 -7.305 3.230) 7.987 3.168 ( 0.000 3.276 -1.670) 3.677 3.259 ( -0.000 1.320 -0.095) 1.323 3.471 ( 0.000 2.462 -3.477) 4.261 3.863 ( 0.000 -2.109 -0.942) 2.310 3.920 ( 0.000 0.534 -2.016) 2.086 4.020 ( 0.000 -1.197 0.028) 1.197 4.146 ( -0.000 3.989 0.924) 4.095 4.379 ( -0.000 -1.032 3.947) 4.079 7.421 ( -0.000 -2.502 2.141) 3.293 ======================= Grid point 252 (87/116) ======================= q-point: ( 0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 12.607 6.221 0.947) 14.090 1.001 ( -7.728 0.984 3.046) 8.364 1.215 ( 3.409 2.629 3.642) 5.639 1.402 ( -0.134 -3.045 4.566) 5.490 1.466 ( 2.270 8.301 5.421) 10.171 1.614 ( 8.005 13.670 1.648) 15.927 1.805 ( -0.431 8.095 -4.692) 9.366 1.910 ( 0.855 -1.603 -5.454) 5.748 2.117 ( -6.904 1.952 1.953) 7.436 2.282 ( 0.374 -8.335 2.577) 8.732 2.438 ( -3.591 -3.541 -1.992) 5.423 2.527 ( 5.637 -1.204 -2.178) 6.162 2.626 ( -5.561 -1.903 -3.611) 6.899 2.949 ( 4.425 -3.905 0.360) 5.913 2.988 ( -0.948 -8.183 3.831) 9.085 3.158 ( -4.580 4.524 -2.252) 6.820 3.297 ( 1.544 0.902 -0.952) 2.026 3.470 ( -0.831 1.455 -1.033) 1.969 3.848 ( 0.708 -0.880 -1.666) 2.013 3.929 ( 1.079 0.948 -1.093) 1.805 4.026 ( 1.714 -1.807 -0.492) 2.539 4.152 ( -3.022 2.676 0.502) 4.068 4.395 ( 1.170 -0.617 3.007) 3.285 7.399 ( -0.776 -1.939 1.554) 2.604 ======================= Grid point 253 (88/116) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -2.428 -5.473 0.819) 6.043 0.999 ( 3.609 4.651 1.327) 6.035 1.331 ( 4.110 1.405 4.598) 6.326 1.426 ( 3.741 4.887 -2.103) 6.504 1.548 ( -1.266 3.666 3.461) 5.198 1.694 ( -1.649 -0.388 0.263) 1.715 1.940 ( 2.799 5.239 -2.214) 6.339 1.975 ( 4.491 11.060 -2.396) 12.175 2.094 ( 2.168 1.391 1.138) 2.816 2.209 ( -1.222 -8.732 2.031) 9.048 2.295 ( -3.978 -3.156 -2.663) 5.734 2.447 ( -6.822 -4.139 -0.838) 8.023 2.655 ( 3.069 3.496 -1.025) 4.764 2.903 ( -1.105 -6.714 0.541) 6.826 2.978 ( 0.989 -5.822 1.715) 6.149 3.124 ( -1.334 5.300 -1.141) 5.583 3.305 ( -0.960 0.249 -0.107) 0.997 3.469 ( 0.416 -0.821 -0.617) 1.108 3.857 ( 0.884 0.948 -1.689) 2.130 3.963 ( 1.012 2.593 -0.156) 2.788 4.017 ( -0.586 -1.600 -1.036) 1.994 4.136 ( 0.022 -0.011 0.569) 0.570 4.412 ( 0.110 -0.383 1.619) 1.668 7.372 ( -0.936 -1.352 0.921) 1.885 ======================= Grid point 254 (89/116) ======================= q-point: ( 0.70 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -2.208 -5.197 0.734) 5.694 1.033 ( 0.827 -3.797 -0.079) 3.887 1.373 ( -6.455 7.810 3.511) 10.723 1.477 ( -3.579 8.751 -8.520) 12.727 1.610 ( 5.702 -0.745 5.916) 8.251 1.758 ( 6.599 1.152 0.578) 6.724 2.022 ( 1.744 -2.177 2.940) 4.052 2.048 ( 1.518 3.805 -4.147) 5.829 2.080 ( -0.410 -9.047 0.225) 9.059 2.220 ( 2.507 4.578 2.863) 5.953 2.228 ( -2.511 1.365 -3.254) 4.331 2.337 ( -0.990 -2.270 2.055) 3.218 2.714 ( 0.071 3.616 -0.982) 3.748 2.814 ( -2.956 -3.815 -1.297) 4.997 2.890 ( -3.145 -4.014 -1.420) 5.293 3.211 ( 4.566 2.673 1.774) 5.580 3.272 ( -2.367 -1.117 0.986) 2.796 3.462 ( 1.005 -2.325 -0.984) 2.717 3.881 ( 0.184 3.260 -1.443) 3.570 3.981 ( -1.985 1.330 -1.001) 2.591 4.011 ( 1.694 1.343 0.418) 2.202 4.146 ( 2.075 -2.637 0.060) 3.356 4.400 ( -1.443 -0.424 0.690) 1.655 7.349 ( -0.767 -0.882 0.537) 1.286 ======================= Grid point 255 (90/116) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 0.674 -4.064 2.702) 4.927 0.996 ( 1.109 -4.815 -1.580) 5.188 1.309 ( -11.770 11.327 2.842) 16.580 1.506 ( 0.427 5.016 -5.361) 7.354 1.700 ( -0.422 3.115 3.294) 4.554 1.814 ( 1.795 -4.761 0.812) 5.152 1.963 ( -2.948 -2.017 -1.717) 3.964 2.022 ( 4.917 -5.669 -2.366) 7.869 2.148 ( -0.853 2.745 -0.278) 2.888 2.177 ( 3.369 -3.034 3.177) 5.535 2.292 ( -1.395 0.800 1.477) 2.184 2.383 ( 5.862 0.570 1.863) 6.177 2.692 ( -4.099 3.594 -0.571) 5.481 2.764 ( -1.302 0.116 -2.343) 2.683 2.825 ( -0.018 -1.279 -2.499) 2.807 3.215 ( -2.173 -2.905 1.882) 4.087 3.306 ( 2.651 1.517 1.835) 3.563 3.456 ( 2.092 -2.986 -1.262) 3.858 3.912 ( -0.677 4.454 -1.216) 4.666 3.965 ( -2.014 2.959 -0.762) 3.660 4.056 ( 2.586 0.083 0.429) 2.622 4.144 ( 1.455 -3.588 -1.579) 4.181 4.368 ( -1.978 -0.238 1.203) 2.327 7.334 ( -0.411 -0.538 0.558) 0.877 ======================= Grid point 262 (91/116) ======================= q-point: ( 0.50 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( -0.000 9.960 4.110) 10.775 1.020 ( -0.000 -9.722 3.502) 10.333 1.246 ( -0.000 3.765 -0.249) 3.773 1.354 ( -0.000 -4.878 1.747) 5.182 1.588 ( -0.000 10.006 8.620) 13.207 1.696 ( -0.000 15.955 -0.694) 15.971 1.836 ( 0.000 -0.767 -4.576) 4.639 1.903 ( 0.000 10.363 -5.169) 11.581 2.181 ( -0.000 -7.224 2.012) 7.500 2.295 ( -0.000 1.285 2.225) 2.569 2.409 ( 0.000 2.755 -4.252) 5.066 2.430 ( 0.000 -8.054 0.064) 8.054 2.619 ( 0.000 -3.556 -3.945) 5.311 2.868 ( 0.000 -4.500 0.349) 4.514 2.932 ( -0.000 -8.940 5.560) 10.528 3.245 ( 0.000 5.703 -2.909) 6.402 3.282 ( 0.000 1.031 -0.260) 1.063 3.498 ( 0.000 1.351 -0.973) 1.665 3.824 ( 0.000 -1.219 -0.499) 1.317 3.893 ( 0.000 -2.321 0.283) 2.338 4.016 ( 0.000 1.616 -1.880) 2.479 4.216 ( -0.000 2.729 0.180) 2.735 4.377 ( -0.000 -1.739 2.807) 3.302 7.390 ( -0.000 -1.843 0.937) 2.068 ======================= Grid point 263 (92/116) ======================= q-point: ( 0.60 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -0.447 -1.283 2.134) 2.530 1.007 ( 5.189 3.143 4.184) 7.369 1.236 ( 2.120 -4.078 1.349) 4.789 1.355 ( 3.473 -1.680 -2.639) 4.674 1.667 ( -1.149 4.099 5.255) 6.762 1.759 ( -4.595 7.041 -2.511) 8.775 1.936 ( 2.992 5.875 -2.293) 6.981 2.000 ( 4.720 8.911 -1.275) 10.164 2.125 ( -2.176 -0.120 -0.107) 2.182 2.213 ( -4.836 -0.478 1.105) 4.984 2.314 ( -4.383 -6.029 -0.353) 7.462 2.445 ( -0.091 -3.169 -5.687) 6.511 2.622 ( 3.864 1.071 0.687) 4.068 2.854 ( 0.343 -6.966 4.068) 8.074 2.870 ( 2.915 -5.616 2.266) 6.721 3.242 ( -4.396 5.053 -2.116) 7.024 3.302 ( 0.444 0.433 -1.414) 1.544 3.483 ( -1.815 0.175 0.252) 1.840 3.830 ( 1.691 -0.107 -0.524) 1.774 3.914 ( 4.194 -1.945 1.118) 4.756 4.020 ( -0.907 1.894 -1.860) 2.805 4.196 ( -3.962 1.421 0.392) 4.228 4.391 ( 1.860 -1.409 1.570) 2.812 7.372 ( -0.455 -1.448 0.354) 1.558 ======================= Grid point 264 (93/116) ======================= q-point: ( 0.70 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -2.863 -4.315 0.893) 5.255 1.035 ( -3.779 -1.195 -0.386) 3.983 1.395 ( 11.948 0.953 6.454) 13.613 1.414 ( 7.643 -1.217 -3.915) 8.673 1.665 ( -4.681 5.887 -4.072) 8.552 1.752 ( -1.758 4.605 1.734) 5.225 1.990 ( 1.996 -1.024 4.646) 5.159 2.045 ( -4.898 -1.868 0.341) 5.253 2.102 ( -4.089 1.494 -3.932) 5.866 2.200 ( 2.613 0.675 1.865) 3.280 2.253 ( 1.518 3.679 -3.059) 5.020 2.362 ( -3.306 -1.927 -2.504) 4.573 2.705 ( 3.459 1.569 0.531) 3.835 2.796 ( -0.490 -4.830 1.937) 5.227 2.874 ( 0.465 -5.466 1.646) 5.727 3.225 ( -1.498 4.887 -0.506) 5.137 3.286 ( -0.621 -1.433 -1.649) 2.271 3.452 ( -1.951 -0.602 0.617) 2.133 3.875 ( 2.930 1.576 -0.226) 3.334 3.974 ( 3.145 -1.150 0.385) 3.371 4.017 ( -0.558 2.217 -0.783) 2.417 4.142 ( -3.106 -0.036 0.815) 3.212 4.402 ( 0.451 -1.246 0.234) 1.345 7.352 ( -0.551 -1.006 -0.001) 1.147 ======================= Grid point 265 (94/116) ======================= q-point: ( 0.80 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -1.734 -3.004 -0.000) 3.468 0.958 ( -1.571 -2.721 -0.000) 3.142 1.511 ( 2.967 5.139 -0.000) 5.934 1.535 ( -0.295 -0.512 -0.000) 0.591 1.708 ( 4.285 7.422 -0.000) 8.571 1.766 ( -1.831 -3.171 -0.000) 3.661 1.908 ( -1.959 -3.393 -0.000) 3.918 1.995 ( -0.688 -1.192 -0.000) 1.376 2.104 ( 0.075 0.130 0.000) 0.151 2.219 ( 0.925 1.602 0.000) 1.849 2.306 ( -0.402 -0.696 -0.000) 0.804 2.314 ( 0.582 1.009 -0.000) 1.165 2.754 ( -0.152 -0.263 -0.000) 0.304 2.774 ( 0.625 1.082 -0.000) 1.250 2.805 ( -1.817 -3.147 -0.000) 3.634 3.228 ( -1.068 -1.850 -0.000) 2.137 3.307 ( 2.395 4.148 -0.000) 4.789 3.402 ( -1.802 -3.121 -0.000) 3.604 3.955 ( 2.575 4.460 -0.000) 5.150 3.987 ( 0.127 0.220 -0.000) 0.255 4.043 ( 0.570 0.987 -0.000) 1.140 4.097 ( -1.241 -2.150 -0.000) 2.483 4.387 ( -0.677 -1.172 -0.000) 1.353 7.335 ( -0.374 -0.649 -0.000) 0.749 ======================= Grid point 274 (95/116) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -0.000 -6.470 4.471) 7.864 0.940 ( -0.000 5.825 3.712) 6.907 1.212 ( 0.000 -1.561 -3.550) 3.878 1.278 ( 0.000 -3.424 -0.096) 3.426 1.702 ( 0.000 0.905 -0.866) 1.253 1.910 ( -0.000 7.612 1.741) 7.808 1.958 ( -0.000 -2.992 5.196) 5.996 2.001 ( 0.000 13.544 -3.954) 14.110 2.166 ( 0.000 5.736 -4.141) 7.074 2.191 ( 0.000 -8.277 -3.125) 8.847 2.371 ( -0.000 -1.284 1.424) 1.918 2.410 ( 0.000 0.414 -4.603) 4.621 2.563 ( -0.000 -1.052 1.155) 1.562 2.795 ( -0.000 -5.815 6.086) 8.418 2.810 ( -0.000 -4.876 2.141) 5.325 3.292 ( 0.000 0.415 -0.862) 0.957 3.329 ( 0.000 4.734 -3.578) 5.935 3.504 ( -0.000 -0.276 0.343) 0.440 3.811 ( -0.000 -0.152 0.747) 0.762 3.858 ( -0.000 -1.744 2.333) 2.913 4.044 ( 0.000 2.476 -1.983) 3.172 4.253 ( 0.000 1.208 -0.621) 1.358 4.353 ( -0.000 -2.342 1.908) 3.021 7.363 ( 0.000 -1.262 -0.201) 1.278 ======================= Grid point 275 (96/116) ======================= q-point: ( 0.70 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -3.513 -2.471 1.477) 4.542 1.101 ( 12.897 -6.174 -1.408) 14.368 1.119 ( -5.808 0.852 0.189) 5.873 1.350 ( 6.472 2.692 3.430) 7.803 1.693 ( 0.052 0.233 -5.514) 5.519 1.880 ( -5.112 1.589 4.113) 6.751 1.999 ( -1.170 3.316 3.279) 4.808 2.057 ( 0.680 -4.989 -0.935) 5.122 2.172 ( -0.634 5.517 -2.916) 6.273 2.228 ( 3.855 4.654 -4.999) 7.843 2.256 ( -8.205 -1.495 0.261) 8.344 2.387 ( -1.235 1.212 -3.162) 3.604 2.626 ( 5.332 -2.118 0.928) 5.812 2.763 ( 0.590 -4.594 4.970) 6.794 2.814 ( 2.048 -2.013 3.740) 4.715 3.275 ( -1.583 -0.935 -1.094) 2.140 3.319 ( -3.433 3.446 -4.245) 6.456 3.489 ( -1.468 0.062 1.497) 2.097 3.837 ( 2.368 0.784 0.878) 2.644 3.896 ( 4.122 -0.956 2.422) 4.876 4.054 ( -0.926 2.601 -1.445) 3.117 4.212 ( -4.060 -0.047 0.517) 4.093 4.364 ( 2.083 -1.889 0.135) 2.815 7.348 ( -0.252 -0.936 -0.546) 1.113 ======================= Grid point 287 (97/116) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -0.000 -2.036 2.192) 2.992 0.890 ( 0.000 -6.171 -5.223) 8.085 1.222 ( -0.000 -2.495 2.176) 3.311 1.295 ( -0.000 5.529 4.735) 7.280 1.664 ( 0.000 -1.515 -5.344) 5.554 1.917 ( -0.000 -3.361 4.000) 5.224 1.991 ( 0.000 -5.209 -1.027) 5.309 2.124 ( -0.000 7.636 2.172) 7.939 2.175 ( 0.000 4.784 -2.409) 5.356 2.231 ( 0.000 3.680 -5.668) 6.758 2.325 ( 0.000 -3.274 -2.207) 3.948 2.380 ( 0.000 0.610 -4.097) 4.143 2.558 ( -0.000 -0.928 1.496) 1.760 2.732 ( -0.000 -3.986 8.606) 9.485 2.807 ( -0.000 0.779 3.753) 3.833 3.286 ( 0.000 -0.143 -1.383) 1.390 3.358 ( 0.000 1.411 -6.153) 6.312 3.507 ( -0.000 0.044 2.159) 2.159 3.826 ( -0.000 0.665 1.769) 1.890 3.866 ( -0.000 0.291 3.610) 3.622 4.083 ( 0.000 2.691 -1.541) 3.101 4.255 ( 0.000 -0.311 -1.173) 1.214 4.316 ( -0.000 -2.510 1.325) 2.839 7.339 ( 0.000 -0.725 -0.906) 1.160 ======================= Grid point 344 (98/116) ======================= q-point: ( 0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.237 ( -0.000 0.000 6.264) 6.264 0.237 ( -0.000 0.000 6.264) 6.264 0.950 ( 0.000 -0.000 -6.017) 6.017 0.950 ( 0.000 -0.000 -6.017) 6.017 1.169 ( -0.000 0.000 29.959) 29.959 1.873 ( 0.000 -0.000 -9.255) 9.255 1.899 ( -0.000 0.000 9.150) 9.150 1.899 ( -0.000 -0.000 9.150) 9.150 2.262 ( 0.000 0.000 -6.127) 6.127 2.262 ( 0.000 -0.000 -6.127) 6.127 2.398 ( 0.000 -0.000 -9.049) 9.049 2.764 ( -0.000 0.000 0.197) 0.197 2.764 ( -0.000 -0.000 0.197) 0.197 2.825 ( 0.000 -0.000 -5.079) 5.079 3.079 ( -0.000 0.000 9.896) 9.896 3.216 ( -0.000 0.000 0.052) 0.052 3.216 ( -0.000 -0.000 0.052) 0.052 3.479 ( 0.000 -0.000 -7.790) 7.790 3.955 ( -0.000 0.000 0.699) 0.699 3.955 ( -0.000 0.000 0.699) 0.699 4.001 ( -0.000 0.000 0.190) 0.190 4.001 ( -0.000 -0.000 0.190) 0.190 4.392 ( -0.000 0.000 5.214) 5.214 7.505 ( -0.000 0.000 0.061) 0.061 ======================= Grid point 345 (99/116) ======================= q-point: ( 0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.317 ( 9.962 5.751 1.763) 11.637 0.669 ( 21.101 12.183 -1.376) 24.404 0.987 ( 7.692 4.441 5.068) 10.226 1.061 ( 6.340 3.660 -4.990) 8.860 1.301 ( 4.166 2.405 20.181) 20.746 1.666 ( -11.141 -6.432 -1.674) 12.973 1.798 ( -5.154 -2.976 7.752) 9.773 1.952 ( -4.219 -2.436 1.703) 5.161 2.208 ( 3.999 2.309 -5.797) 7.412 2.314 ( 2.129 1.229 -4.005) 4.699 2.485 ( 3.313 1.913 -2.915) 4.810 2.662 ( -5.340 -3.083 -6.108) 8.679 2.709 ( -4.448 -2.568 0.303) 5.145 2.911 ( 5.321 3.072 -4.206) 7.446 3.070 ( -1.853 -1.070 6.339) 6.691 3.226 ( 0.871 0.503 0.123) 1.014 3.255 ( 0.179 0.103 0.438) 0.485 3.431 ( -0.396 -0.229 -5.320) 5.339 3.902 ( -2.377 -1.372 0.016) 2.745 3.916 ( -1.925 -1.111 -0.911) 2.402 4.047 ( 1.996 1.152 0.251) 2.319 4.067 ( 3.380 1.952 0.689) 3.964 4.396 ( -0.859 -0.496 4.443) 4.552 7.474 ( -2.338 -1.350 1.353) 3.020 ======================= Grid point 346 (100/116) ======================= q-point: ( 0.50 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 12.448 7.187 -2.964) 14.676 1.093 ( 11.825 6.827 3.156) 14.014 1.167 ( 6.797 3.924 9.887) 12.623 1.168 ( 3.113 1.797 0.080) 3.595 1.470 ( -4.994 -2.883 0.968) 5.847 1.554 ( 14.087 8.133 2.702) 16.489 1.743 ( -0.916 -0.529 3.620) 3.771 1.824 ( -5.360 -3.095 -4.398) 7.593 2.266 ( 0.938 0.542 0.598) 1.237 2.327 ( -0.257 -0.149 -1.084) 1.124 2.487 ( -7.650 -4.417 -6.830) 11.166 2.529 ( 1.306 0.754 3.316) 3.643 2.584 ( -6.197 -3.578 -0.115) 7.156 2.977 ( 1.474 0.851 -6.263) 6.490 3.096 ( 2.349 1.356 3.294) 4.268 3.162 ( -6.400 -3.695 -0.083) 7.391 3.249 ( 0.958 0.553 0.355) 1.161 3.461 ( 2.766 1.597 -2.603) 4.120 3.858 ( -1.396 -0.806 -0.726) 1.768 3.891 ( -0.026 -0.015 -0.560) 0.561 4.051 ( -1.336 -0.772 -1.210) 1.961 4.143 ( 2.998 1.731 1.006) 3.605 4.399 ( -0.157 -0.091 2.951) 2.957 7.426 ( -2.271 -1.311 1.769) 3.163 ======================= Grid point 347 (101/116) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 10.148 5.859 -4.514) 12.557 1.065 ( -5.925 -3.421 0.984) 6.911 1.187 ( -1.713 -0.989 4.879) 5.265 1.365 ( -1.783 -1.029 2.243) 3.044 1.586 ( 15.681 9.053 2.713) 18.309 1.702 ( -2.984 -1.723 1.665) 3.827 1.797 ( 5.079 2.933 -1.325) 6.013 1.876 ( 11.861 6.848 -3.310) 14.090 2.264 ( -6.217 -3.589 -1.564) 7.347 2.282 ( -4.337 -2.504 2.561) 5.625 2.306 ( -0.680 -0.393 1.982) 2.132 2.455 ( -4.374 -2.525 -1.448) 5.254 2.571 ( 0.983 0.567 0.969) 1.492 2.933 ( -3.175 -1.833 -4.891) 6.112 3.005 ( -5.850 -3.377 -3.166) 7.460 3.189 ( 3.661 2.114 3.713) 5.627 3.268 ( 0.583 0.337 0.816) 1.058 3.502 ( 1.360 0.785 -1.719) 2.328 3.833 ( -0.523 -0.302 -1.267) 1.404 3.900 ( 0.374 0.216 -0.073) 0.437 4.010 ( -0.943 -0.544 -1.204) 1.623 4.205 ( 2.088 1.206 1.122) 2.659 4.398 ( -0.762 -0.440 0.886) 1.248 7.386 ( -1.761 -1.017 1.277) 2.401 ======================= Grid point 348 (102/116) ======================= q-point: ( 0.70 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -5.226 -3.017 -2.976) 6.728 0.955 ( 0.156 0.090 1.359) 1.371 1.194 ( 3.304 1.908 -0.525) 3.851 1.296 ( -3.188 -1.841 -3.343) 4.973 1.654 ( -1.047 -0.604 6.624) 6.734 1.935 ( 7.208 4.161 -2.903) 8.815 1.954 ( 12.845 7.416 4.597) 15.528 2.029 ( -0.750 -0.433 -6.562) 6.619 2.126 ( 0.716 0.414 2.938) 3.052 2.157 ( -6.786 -3.918 3.224) 8.473 2.361 ( 1.368 0.790 4.166) 4.455 2.380 ( -2.467 -1.424 -0.249) 2.859 2.577 ( -0.151 -0.087 -1.240) 1.252 2.831 ( -3.903 -2.253 -1.967) 4.917 2.874 ( -4.068 -2.349 -8.140) 9.398 3.281 ( 0.192 0.111 1.238) 1.258 3.284 ( 3.219 1.859 4.964) 6.202 3.512 ( 0.177 0.102 -1.262) 1.279 3.824 ( 0.138 0.080 -1.580) 1.588 3.887 ( -0.797 -0.460 -2.723) 2.874 4.025 ( 1.910 1.103 1.450) 2.639 4.244 ( 0.946 0.546 1.142) 1.580 4.368 ( -1.846 -1.066 -0.823) 2.285 7.357 ( -1.200 -0.693 0.876) 1.639 ======================= Grid point 355 (103/116) ======================= q-point: ( 0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( 0.000 6.651 -2.298) 7.036 0.621 ( -0.000 27.822 0.620) 27.829 0.920 ( -0.000 5.631 1.497) 5.827 1.130 ( 0.000 15.596 -3.609) 16.009 1.337 ( -0.000 -3.460 18.884) 19.199 1.677 ( 0.000 -10.823 -0.696) 10.846 1.782 ( -0.000 -8.257 7.847) 11.391 2.085 ( 0.000 -4.739 -5.354) 7.150 2.105 ( -0.000 4.042 5.236) 6.615 2.256 ( 0.000 3.517 -5.248) 6.318 2.479 ( 0.000 1.088 -2.702) 2.913 2.675 ( 0.000 -0.148 -8.244) 8.245 2.719 ( 0.000 -4.711 -0.145) 4.714 2.889 ( 0.000 5.564 -4.636) 7.243 3.112 ( -0.000 -1.569 4.525) 4.789 3.224 ( -0.000 -2.574 3.998) 4.756 3.232 ( -0.000 1.244 -0.171) 1.256 3.420 ( 0.000 0.568 -5.546) 5.575 3.911 ( 0.000 -3.076 -0.420) 3.104 3.913 ( 0.000 -1.388 -0.510) 1.479 4.039 ( -0.000 0.590 0.709) 0.922 4.065 ( -0.000 4.398 0.802) 4.471 4.412 ( -0.000 -1.018 3.633) 3.773 7.479 ( -0.000 -2.388 0.967) 2.576 ======================= Grid point 356 (104/116) ======================= q-point: ( 0.50 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 7.152 12.950 -0.754) 14.813 0.850 ( 6.289 9.905 -1.164) 11.790 1.160 ( 7.407 9.447 5.885) 13.370 1.293 ( 1.806 15.160 0.266) 15.270 1.390 ( 7.915 -0.411 4.777) 9.254 1.528 ( -4.836 -6.778 2.308) 8.640 1.745 ( -0.529 -2.606 5.098) 5.750 1.960 ( -8.250 -1.586 -4.133) 9.362 2.112 ( 3.032 -2.859 0.598) 4.210 2.391 ( 3.215 5.096 -1.758) 6.276 2.455 ( 2.833 -6.244 2.750) 7.387 2.567 ( -6.937 -1.672 -6.341) 9.546 2.655 ( -3.741 -2.665 -1.497) 4.831 2.948 ( 2.899 3.446 -4.846) 6.616 3.083 ( -1.245 -1.433 2.629) 3.243 3.179 ( -2.247 -5.780 2.598) 6.724 3.266 ( 0.653 1.689 -0.942) 2.041 3.427 ( 1.354 2.237 -2.110) 3.360 3.867 ( -1.028 -1.612 -0.965) 2.141 3.901 ( -0.496 0.486 -0.551) 0.887 4.072 ( 1.723 -1.241 0.411) 2.163 4.097 ( 0.026 2.556 0.417) 2.590 4.413 ( -0.106 -0.353 2.579) 2.605 7.446 ( -1.331 -2.224 1.191) 2.852 ======================= Grid point 357 (105/116) ======================= q-point: ( 0.60 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 2.670 13.649 -2.426) 14.118 1.006 ( 6.242 -6.555 1.539) 9.182 1.254 ( 0.690 3.903 1.937) 4.412 1.408 ( -3.083 -0.357 1.166) 3.315 1.482 ( 4.777 8.024 4.475) 10.355 1.694 ( 12.344 7.710 -1.734) 14.656 1.739 ( 0.365 1.380 0.033) 1.428 1.838 ( -2.516 3.925 -0.279) 4.671 2.145 ( 4.967 -5.624 0.835) 7.550 2.349 ( -5.515 -3.420 -3.626) 7.434 2.389 ( -1.991 -6.865 1.452) 7.294 2.493 ( -7.425 0.997 0.485) 7.508 2.589 ( 1.869 1.094 0.202) 2.176 2.975 ( -2.218 2.134 -4.720) 5.635 3.044 ( -5.022 -4.632 -0.902) 6.891 3.113 ( 4.662 -3.303 3.294) 6.595 3.284 ( -0.424 1.892 0.311) 1.964 3.470 ( 2.033 0.554 -1.048) 2.354 3.842 ( -0.708 -0.070 -1.098) 1.309 3.913 ( 0.346 2.106 0.343) 2.161 4.035 ( -3.088 -0.346 -0.998) 3.264 4.150 ( 3.837 -1.071 0.684) 4.042 4.417 ( -0.551 0.325 1.109) 1.281 7.406 ( -1.513 -1.681 0.887) 2.429 ======================= Grid point 358 (106/116) ======================= q-point: ( 0.70 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -0.719 -3.012 -1.432) 3.412 1.041 ( 2.996 4.320 -2.358) 5.762 1.237 ( -8.335 3.570 1.895) 9.264 1.349 ( -2.585 1.089 -2.388) 3.683 1.667 ( 3.211 -1.685 3.941) 5.356 1.738 ( 8.877 1.415 2.278) 9.273 1.934 ( 5.305 8.271 -1.479) 9.937 1.991 ( 7.536 7.609 0.209) 10.711 2.133 ( -1.985 -3.947 -1.024) 4.535 2.218 ( -1.885 -3.241 -0.541) 3.788 2.317 ( -0.451 -8.205 -0.587) 8.239 2.385 ( -3.314 -0.433 5.208) 6.188 2.631 ( -0.813 4.185 -0.962) 4.370 2.892 ( -6.441 -3.506 -1.613) 7.508 2.902 ( -4.413 -0.413 -5.305) 6.913 3.212 ( 6.732 -1.102 3.258) 7.559 3.288 ( -0.649 0.281 1.230) 1.419 3.490 ( 1.213 -1.060 -1.074) 1.936 3.832 ( -0.646 1.272 -0.922) 1.699 3.927 ( -2.525 2.738 -1.121) 3.889 4.006 ( 1.161 0.067 0.670) 1.342 4.196 ( 3.201 -2.253 0.307) 3.927 4.401 ( -1.935 0.395 -0.172) 1.982 7.371 ( -1.198 -1.143 0.541) 1.742 ======================= Grid point 367 (107/116) ======================= q-point: ( 0.50 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( -0.000 9.416 0.214) 9.418 1.117 ( -0.000 9.241 3.834) 10.005 1.150 ( -0.000 24.815 -3.025) 24.999 1.236 ( -0.000 -8.199 3.181) 8.794 1.469 ( -0.000 8.039 4.864) 9.396 1.515 ( -0.000 -0.333 2.326) 2.350 1.761 ( -0.000 0.019 4.143) 4.144 1.887 ( 0.000 -6.143 -8.417) 10.420 2.256 ( -0.000 3.808 5.440) 6.640 2.302 ( 0.000 1.754 -1.075) 2.057 2.381 ( 0.000 -6.155 -0.144) 6.156 2.590 ( 0.000 -7.849 -0.584) 7.871 2.639 ( 0.000 0.139 -7.065) 7.067 2.921 ( 0.000 0.073 -1.910) 1.911 3.098 ( -0.000 -3.918 1.812) 4.317 3.168 ( -0.000 -1.581 1.442) 2.140 3.257 ( 0.000 1.349 -0.319) 1.387 3.444 ( 0.000 3.367 -1.492) 3.683 3.855 ( 0.000 -2.181 -0.456) 2.229 3.902 ( 0.000 0.565 -1.309) 1.426 4.026 ( -0.000 -2.039 1.032) 2.286 4.152 ( -0.000 3.855 0.257) 3.864 4.411 ( -0.000 -1.032 1.896) 2.159 7.437 ( -0.000 -2.474 0.766) 2.590 ======================= Grid point 368 (108/116) ======================= q-point: ( 0.60 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 11.923 7.868 2.244) 14.460 1.015 ( -8.528 1.831 0.025) 8.723 1.249 ( 3.268 2.146 2.335) 4.554 1.414 ( -0.275 -4.735 -0.232) 4.749 1.507 ( 6.270 10.965 0.300) 12.635 1.657 ( 2.304 11.480 5.118) 12.779 1.759 ( -0.234 4.823 -3.460) 5.940 1.859 ( 2.577 -0.807 -3.777) 4.643 2.139 ( -7.140 1.574 1.784) 7.526 2.310 ( 0.338 -7.803 2.959) 8.352 2.412 ( -4.458 -3.440 -2.518) 6.168 2.505 ( 5.078 -3.675 -1.705) 6.496 2.598 ( -2.486 0.485 -1.565) 2.977 2.947 ( 3.770 -2.096 0.573) 4.351 3.026 ( -1.212 -7.089 2.574) 7.638 3.138 ( -4.802 3.008 -1.684) 5.911 3.289 ( 1.593 0.946 -0.544) 1.931 3.464 ( -0.433 1.843 -0.083) 1.895 3.837 ( 0.305 -0.819 -0.298) 0.923 3.919 ( 1.273 1.436 -0.774) 2.069 4.027 ( 1.651 -2.782 0.569) 3.284 4.154 ( -2.997 2.749 -0.092) 4.067 4.417 ( 0.826 -0.630 1.044) 1.473 7.409 ( -0.762 -2.104 0.331) 2.262 ======================= Grid point 369 (109/116) ======================= q-point: ( 0.70 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -3.096 -5.362 -0.000) 6.191 1.005 ( 3.050 5.282 -0.000) 6.099 1.373 ( -0.151 -0.262 0.000) 0.302 1.396 ( 4.780 8.280 -0.000) 9.561 1.560 ( -0.499 -0.865 -0.000) 0.999 1.709 ( 0.351 0.608 -0.000) 0.703 1.927 ( 3.151 5.457 -0.000) 6.301 1.959 ( 6.375 11.043 0.000) 12.751 2.100 ( 0.875 1.515 -0.000) 1.750 2.223 ( -4.768 -8.258 0.000) 9.536 2.275 ( -1.743 -3.019 -0.000) 3.486 2.443 ( -3.390 -5.872 -0.000) 6.780 2.649 ( 2.247 3.892 -0.000) 4.494 2.905 ( -3.051 -5.284 -0.000) 6.102 2.988 ( -2.443 -4.231 -0.000) 4.885 3.117 ( 2.299 3.981 -0.000) 4.597 3.305 ( -0.122 -0.211 -0.000) 0.244 3.465 ( -0.244 -0.423 -0.000) 0.488 3.847 ( 0.622 1.077 -0.000) 1.244 3.962 ( 1.455 2.520 -0.000) 2.910 4.011 ( -0.941 -1.629 -0.000) 1.881 4.139 ( 0.026 0.045 -0.000) 0.051 4.421 ( -0.230 -0.399 -0.000) 0.461 7.377 ( -0.878 -1.520 -0.000) 1.755 ======================= Grid point 379 (110/116) ======================= q-point: ( 0.60 0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -0.000 11.437 5.026) 12.493 1.055 ( -0.000 -9.035 2.440) 9.358 1.230 ( 0.000 0.285 -2.815) 2.829 1.365 ( -0.000 -4.722 1.019) 4.830 1.614 ( -0.000 19.144 -1.992) 19.247 1.719 ( -0.000 1.121 1.345) 1.750 1.800 ( 0.000 2.815 -1.892) 3.391 1.858 ( -0.000 12.692 -1.516) 12.782 2.217 ( -0.000 -8.166 4.585) 9.365 2.302 ( 0.000 -2.442 -0.847) 2.585 2.358 ( 0.000 2.374 -5.276) 5.785 2.438 ( -0.000 -6.044 1.410) 6.206 2.587 ( 0.000 -1.099 -2.058) 2.334 2.885 ( -0.000 -3.504 3.131) 4.699 2.976 ( -0.000 -8.202 2.872) 8.690 3.219 ( 0.000 4.927 -2.202) 5.396 3.276 ( 0.000 0.914 -0.665) 1.130 3.492 ( -0.000 1.660 0.082) 1.662 3.824 ( -0.000 -0.954 0.449) 1.055 3.898 ( -0.000 -0.889 0.381) 0.968 4.005 ( 0.000 0.168 -0.273) 0.321 4.214 ( 0.000 2.549 -0.560) 2.610 4.397 ( -0.000 -1.500 1.011) 1.809 7.394 ( 0.000 -2.034 -0.204) 2.044 ======================= Grid point 462 (111/116) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.293 ( -0.000 0.000 3.901) 3.901 0.293 ( -0.000 -0.000 3.901) 3.901 0.895 ( 0.000 0.000 -3.939) 3.939 0.895 ( 0.000 -0.000 -3.939) 3.939 1.438 ( -0.000 0.000 18.996) 18.996 1.796 ( 0.000 -0.000 -5.223) 5.223 2.000 ( -0.000 0.000 9.367) 9.367 2.000 ( -0.000 -0.000 9.367) 9.367 2.187 ( 0.000 -0.000 -7.665) 7.665 2.187 ( 0.000 -0.000 -7.665) 7.665 2.329 ( 0.000 -0.000 -3.456) 3.456 2.728 ( 0.000 -0.000 -10.254) 10.254 2.766 ( -0.000 0.000 0.118) 0.118 2.766 ( -0.000 -0.000 0.118) 0.118 3.194 ( -0.000 0.000 10.355) 10.355 3.217 ( -0.000 0.000 0.028) 0.028 3.217 ( -0.000 -0.000 0.028) 0.028 3.402 ( 0.000 -0.000 -6.797) 6.797 3.961 ( -0.000 0.000 0.433) 0.433 3.961 ( -0.000 0.000 0.433) 0.433 4.003 ( -0.000 0.000 0.115) 0.115 4.003 ( -0.000 -0.000 0.115) 0.115 4.437 ( -0.000 0.000 2.971) 2.971 7.506 ( -0.000 0.000 0.015) 0.015 ======================= Grid point 463 (112/116) ======================= q-point: ( 0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( 6.690 3.863 3.123) 8.333 0.650 ( 20.551 11.865 -1.845) 23.802 1.004 ( 7.391 4.267 -5.399) 10.098 1.034 ( 13.065 7.543 4.288) 15.683 1.466 ( -2.231 -1.288 8.498) 8.880 1.656 ( -8.392 -4.845 0.091) 9.691 1.890 ( -6.167 -3.560 9.219) 11.649 1.945 ( -8.006 -4.622 -3.186) 9.778 2.181 ( 5.467 3.156 0.746) 6.356 2.260 ( 3.531 2.038 -5.887) 7.161 2.466 ( 6.383 3.685 -0.412) 7.382 2.597 ( -5.653 -3.264 -5.056) 8.257 2.713 ( -4.407 -2.545 0.380) 5.103 2.858 ( 4.758 2.747 -3.650) 6.596 3.130 ( -2.982 -1.722 3.470) 4.889 3.227 ( 0.921 0.532 0.221) 1.086 3.279 ( -1.996 -1.153 3.490) 4.183 3.376 ( 1.969 1.137 -4.907) 5.409 3.903 ( -2.704 -1.561 0.233) 3.131 3.910 ( -2.145 -1.239 -0.214) 2.486 4.049 ( 1.462 0.844 -0.028) 1.688 4.072 ( 3.624 2.093 0.242) 4.192 4.432 ( -0.985 -0.569 1.982) 2.285 7.483 ( -1.792 -1.035 0.434) 2.115 ======================= Grid point 464 (113/116) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 10.542 6.087 -2.007) 12.338 1.119 ( 18.158 10.484 2.547) 21.121 1.153 ( 6.210 3.585 -2.659) 7.648 1.238 ( -1.289 -0.744 2.958) 3.311 1.483 ( -0.410 -0.237 0.923) 1.037 1.550 ( 7.839 4.526 -3.049) 9.551 1.796 ( -4.166 -2.405 -1.925) 5.181 1.802 ( -3.726 -2.151 7.043) 8.253 2.282 ( 2.956 1.707 2.320) 4.127 2.303 ( 1.680 0.970 -3.352) 3.873 2.414 ( -7.208 -4.161 -5.900) 10.202 2.574 ( 1.147 0.662 4.995) 5.167 2.585 ( -6.654 -3.842 0.303) 7.689 2.923 ( 1.260 0.728 -2.758) 3.118 3.108 ( -1.151 -0.665 -0.358) 1.376 3.175 ( -4.060 -2.344 0.867) 4.767 3.253 ( 1.097 0.634 0.412) 1.333 3.441 ( 3.140 1.813 -0.896) 3.734 3.853 ( -1.734 -1.001 -0.145) 2.007 3.892 ( 0.284 0.164 0.553) 0.642 4.038 ( -1.773 -1.024 -1.133) 2.341 4.151 ( 3.172 1.832 0.450) 3.691 4.418 ( -0.651 -0.376 0.618) 0.973 7.438 ( -2.170 -1.253 0.476) 2.551 ======================= Grid point 474 (114/116) ======================= q-point: ( 0.50 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 0.000 5.756 -3.362) 6.666 0.632 ( -0.000 25.284 1.391) 25.322 0.951 ( -0.000 8.055 4.109) 9.043 1.082 ( 0.000 16.712 -4.664) 17.351 1.475 ( -0.000 -6.193 6.247) 8.797 1.665 ( 0.000 -8.166 -1.187) 8.252 1.879 ( -0.000 -8.902 8.720) 12.461 1.991 ( 0.000 -7.364 -9.321) 11.879 2.188 ( -0.000 5.409 7.424) 9.185 2.211 ( 0.000 4.852 -3.694) 6.098 2.463 ( -0.000 4.851 0.000) 4.851 2.595 ( 0.000 -2.963 -5.181) 5.968 2.717 ( 0.000 -4.927 -0.323) 4.938 2.848 ( 0.000 5.293 -1.761) 5.578 3.142 ( -0.000 -3.399 0.889) 3.514 3.230 ( -0.000 1.155 -0.240) 1.180 3.279 ( -0.000 -4.095 4.919) 6.400 3.365 ( 0.000 3.539 -4.045) 5.374 3.907 ( 0.000 -3.241 -0.368) 3.261 3.910 ( 0.000 -2.146 -0.135) 2.150 4.046 ( -0.000 1.101 0.460) 1.193 4.071 ( -0.000 4.367 0.309) 4.378 4.437 ( -0.000 -1.154 0.966) 1.505 7.485 ( 0.000 -1.971 0.196) 1.981 ======================= Grid point 475 (115/116) ======================= q-point: ( 0.60 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 7.357 12.742 -0.000) 14.713 0.844 ( 6.254 10.832 -0.000) 12.508 1.191 ( 6.452 11.175 -0.000) 12.904 1.292 ( 8.039 13.925 -0.000) 16.079 1.416 ( -0.099 -0.171 -0.000) 0.198 1.541 ( -3.963 -6.864 -0.000) 7.925 1.785 ( -2.422 -4.195 -0.000) 4.844 1.931 ( -2.531 -4.384 -0.000) 5.063 2.119 ( -0.369 -0.639 -0.000) 0.738 2.379 ( 2.684 4.649 -0.000) 5.368 2.495 ( -1.477 -2.558 0.000) 2.953 2.504 ( -1.525 -2.641 -0.000) 3.050 2.648 ( -2.382 -4.126 -0.000) 4.764 2.917 ( 2.307 3.995 -0.000) 4.613 3.098 ( -1.216 -2.105 -0.000) 2.431 3.197 ( -3.367 -5.831 -0.000) 6.733 3.261 ( 0.856 1.483 -0.000) 1.712 3.414 ( 1.779 3.081 -0.000) 3.558 3.862 ( -1.076 -1.864 -0.000) 2.152 3.898 ( 0.047 0.082 -0.000) 0.094 4.075 ( -0.179 -0.310 -0.000) 0.358 4.099 ( 1.129 1.955 -0.000) 2.257 4.427 ( -0.246 -0.426 -0.000) 0.491 7.452 ( -1.238 -2.144 -0.000) 2.475 ======================= Grid point 586 (116/116) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 6.61e-05 6.61e-05 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.315 ( -0.000 0.000 0.000) 0.000 0.315 ( -0.000 0.000 0.000) 0.000 0.872 ( -0.000 0.000 0.000) 0.000 0.872 ( -0.000 0.000 0.000) 0.000 1.547 ( -0.000 0.000 0.000) 0.000 1.765 ( -0.000 0.000 0.000) 0.000 2.093 ( -0.000 0.000 0.000) 0.000 2.093 ( -0.000 -0.000 0.000) 0.000 2.103 ( -0.000 0.000 0.000) 0.000 2.103 ( -0.000 0.000 0.000) 0.000 2.316 ( -0.000 0.000 0.000) 0.000 2.661 ( -0.000 0.000 0.000) 0.000 2.767 ( -0.000 0.000 0.000) 0.000 2.767 ( -0.000 0.000 0.000) 0.000 3.217 ( -0.000 0.000 0.000) 0.000 3.217 ( -0.000 0.000 0.000) 0.000 3.271 ( -0.000 0.000 0.000) 0.000 3.346 ( 0.000 -0.000 -0.000) 0.000 3.963 ( -0.000 0.000 0.000) 0.000 3.963 ( -0.000 0.000 0.000) 0.000 4.003 ( -0.000 0.000 0.000) 0.000 4.003 ( -0.000 0.000 0.000) 0.000 4.454 ( -0.000 0.000 0.000) 0.000 7.506 ( -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 3/24000 10.0 15.430 15.430 25.640 0.000 -0.000 -0.000 3/24000 20.0 6.033 6.033 7.621 0.000 -0.000 -0.000 3/24000 30.0 3.625 3.625 4.158 0.000 -0.000 -0.000 3/24000 40.0 2.602 2.602 2.847 0.000 -0.000 -0.000 3/24000 50.0 2.038 2.038 2.175 0.000 -0.000 -0.000 3/24000 60.0 1.679 1.679 1.768 0.000 -0.000 -0.000 3/24000 70.0 1.430 1.430 1.493 0.000 -0.000 -0.000 3/24000 80.0 1.246 1.246 1.295 0.000 -0.000 -0.000 3/24000 90.0 1.105 1.105 1.144 0.000 -0.000 -0.000 3/24000 100.0 0.993 0.993 1.026 0.000 -0.000 -0.000 3/24000 110.0 0.902 0.902 0.930 0.000 -0.000 -0.000 3/24000 120.0 0.827 0.827 0.851 0.000 -0.000 -0.000 3/24000 130.0 0.763 0.763 0.785 0.000 -0.000 -0.000 3/24000 140.0 0.708 0.708 0.728 0.000 -0.000 -0.000 3/24000 150.0 0.661 0.661 0.679 0.000 -0.000 -0.000 3/24000 160.0 0.620 0.620 0.636 0.000 -0.000 -0.000 3/24000 170.0 0.583 0.583 0.599 0.000 -0.000 -0.000 3/24000 180.0 0.551 0.551 0.565 0.000 -0.000 -0.000 3/24000 190.0 0.522 0.522 0.536 0.000 -0.000 -0.000 3/24000 200.0 0.496 0.496 0.509 0.000 -0.000 -0.000 3/24000 210.0 0.472 0.472 0.485 0.000 -0.000 -0.000 3/24000 220.0 0.451 0.451 0.463 0.000 -0.000 -0.000 3/24000 230.0 0.431 0.431 0.443 0.000 -0.000 -0.000 3/24000 240.0 0.413 0.413 0.424 0.000 -0.000 -0.000 3/24000 250.0 0.397 0.397 0.407 0.000 -0.000 -0.000 3/24000 260.0 0.382 0.382 0.392 0.000 -0.000 -0.000 3/24000 270.0 0.368 0.368 0.377 0.000 -0.000 -0.000 3/24000 280.0 0.355 0.355 0.364 0.000 -0.000 -0.000 3/24000 290.0 0.342 0.342 0.351 0.000 -0.000 -0.000 3/24000 300.0 0.331 0.331 0.340 0.000 -0.000 -0.000 3/24000 310.0 0.320 0.320 0.329 0.000 -0.000 -0.000 3/24000 320.0 0.310 0.310 0.319 0.000 -0.000 -0.000 3/24000 330.0 0.301 0.301 0.309 0.000 -0.000 -0.000 3/24000 340.0 0.292 0.292 0.300 0.000 -0.000 -0.000 3/24000 350.0 0.284 0.284 0.291 0.000 -0.000 -0.000 3/24000 360.0 0.276 0.276 0.283 0.000 -0.000 -0.000 3/24000 370.0 0.269 0.269 0.276 0.000 -0.000 -0.000 3/24000 380.0 0.262 0.262 0.268 0.000 -0.000 -0.000 3/24000 390.0 0.255 0.255 0.262 0.000 -0.000 -0.000 3/24000 400.0 0.249 0.249 0.255 0.000 -0.000 -0.000 3/24000 410.0 0.243 0.243 0.249 0.000 -0.000 -0.000 3/24000 420.0 0.237 0.237 0.243 0.000 -0.000 -0.000 3/24000 430.0 0.231 0.231 0.237 0.000 -0.000 -0.000 3/24000 440.0 0.226 0.226 0.232 0.000 -0.000 -0.000 3/24000 450.0 0.221 0.221 0.227 0.000 -0.000 -0.000 3/24000 460.0 0.216 0.216 0.222 0.000 -0.000 -0.000 3/24000 470.0 0.212 0.212 0.217 0.000 -0.000 -0.000 3/24000 480.0 0.207 0.207 0.213 0.000 -0.000 -0.000 3/24000 490.0 0.203 0.203 0.209 0.000 -0.000 -0.000 3/24000 500.0 0.199 0.199 0.204 0.000 -0.000 -0.000 3/24000 510.0 0.195 0.195 0.200 0.000 -0.000 -0.000 3/24000 520.0 0.191 0.191 0.197 0.000 -0.000 -0.000 3/24000 530.0 0.188 0.188 0.193 0.000 -0.000 -0.000 3/24000 540.0 0.184 0.184 0.189 0.000 -0.000 -0.000 3/24000 550.0 0.181 0.181 0.186 0.000 -0.000 -0.000 3/24000 560.0 0.178 0.178 0.183 0.000 -0.000 -0.000 3/24000 570.0 0.175 0.175 0.180 0.000 -0.000 -0.000 3/24000 580.0 0.172 0.172 0.176 0.000 -0.000 -0.000 3/24000 590.0 0.169 0.169 0.173 0.000 -0.000 -0.000 3/24000 600.0 0.166 0.166 0.171 0.000 -0.000 -0.000 3/24000 610.0 0.163 0.163 0.168 0.000 -0.000 -0.000 3/24000 620.0 0.161 0.161 0.165 0.000 -0.000 -0.000 3/24000 630.0 0.158 0.158 0.163 0.000 -0.000 -0.000 3/24000 640.0 0.156 0.156 0.160 0.000 -0.000 -0.000 3/24000 650.0 0.153 0.153 0.158 0.000 -0.000 -0.000 3/24000 660.0 0.151 0.151 0.155 0.000 -0.000 -0.000 3/24000 670.0 0.149 0.149 0.153 0.000 -0.000 -0.000 3/24000 680.0 0.147 0.147 0.151 0.000 -0.000 -0.000 3/24000 690.0 0.144 0.144 0.149 0.000 -0.000 -0.000 3/24000 700.0 0.142 0.142 0.146 0.000 -0.000 -0.000 3/24000 710.0 0.140 0.140 0.144 0.000 -0.000 -0.000 3/24000 720.0 0.138 0.138 0.142 0.000 -0.000 -0.000 3/24000 730.0 0.137 0.137 0.140 0.000 -0.000 -0.000 3/24000 740.0 0.135 0.135 0.139 0.000 -0.000 -0.000 3/24000 750.0 0.133 0.133 0.137 0.000 -0.000 -0.000 3/24000 760.0 0.131 0.131 0.135 0.000 -0.000 -0.000 3/24000 770.0 0.129 0.129 0.133 0.000 -0.000 -0.000 3/24000 780.0 0.128 0.128 0.132 0.000 -0.000 -0.000 3/24000 790.0 0.126 0.126 0.130 0.000 -0.000 -0.000 3/24000 800.0 0.125 0.125 0.128 0.000 -0.000 -0.000 3/24000 810.0 0.123 0.123 0.127 0.000 -0.000 -0.000 3/24000 820.0 0.122 0.122 0.125 0.000 -0.000 -0.000 3/24000 830.0 0.120 0.120 0.124 0.000 -0.000 -0.000 3/24000 840.0 0.119 0.119 0.122 0.000 -0.000 -0.000 3/24000 850.0 0.117 0.117 0.121 0.000 -0.000 -0.000 3/24000 860.0 0.116 0.116 0.119 0.000 -0.000 -0.000 3/24000 870.0 0.115 0.115 0.118 0.000 -0.000 -0.000 3/24000 880.0 0.113 0.113 0.117 0.000 -0.000 -0.000 3/24000 890.0 0.112 0.112 0.115 0.000 -0.000 -0.000 3/24000 900.0 0.111 0.111 0.114 0.000 -0.000 -0.000 3/24000 910.0 0.110 0.110 0.113 0.000 -0.000 -0.000 3/24000 920.0 0.108 0.108 0.112 0.000 -0.000 -0.000 3/24000 930.0 0.107 0.107 0.110 0.000 -0.000 -0.000 3/24000 940.0 0.106 0.106 0.109 0.000 -0.000 -0.000 3/24000 950.0 0.105 0.105 0.108 0.000 -0.000 -0.000 3/24000 960.0 0.104 0.104 0.107 0.000 -0.000 -0.000 3/24000 970.0 0.103 0.103 0.106 0.000 -0.000 -0.000 3/24000 980.0 0.102 0.102 0.105 0.000 -0.000 -0.000 3/24000 990.0 0.101 0.101 0.104 0.000 -0.000 -0.000 3/24000 1000.0 0.100 0.100 0.103 0.000 -0.000 -0.000 3/24000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:43:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|