----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:40:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 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: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.123720961338238 1.226130868712280 7.261372716666659 b -2.123720961338234 1.226130868712280 7.261372716666659 c 0.000000000000002 -2.452261737424563 7.261372716666659 Atomic positions (fractional): *1 S 0.73594760043296 0.73594760043296 0.73594760043296 32.065 2 S 0.26405239956704 0.26405239956704 0.26405239956704 32.065 *3 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 *4 La 0.00000000000000 0.00000000000000 0.00000000000000 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.247441922676472 0.000000000000000 0.000000000000000 b -2.123720961338236 3.678392606136843 0.000000000000000 c 0.000000000000000 0.000000000000000 21.784118150000001 Atomic positions (fractional): *1 S 0.66666666666667 0.33333333333333 0.06928093376629 32.065 > 1 2 S 0.00000000000000 0.00000000000000 0.26405239956704 32.065 > 2 3 S 0.33333333333333 0.66666666666667 0.40261426709962 32.065 > 1 4 S 0.66666666666667 0.33333333333333 0.59738573290038 32.065 > 2 5 S 0.00000000000000 0.00000000000000 0.73594760043296 32.065 > 1 6 S 0.33333333333333 0.66666666666667 0.93071906623371 32.065 > 2 *7 K 0.33333333333333 0.66666666666667 0.16666666666667 39.098 > 3 8 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 3 9 K 0.66666666666667 0.33333333333333 0.83333333333333 39.098 > 3 *10 La 0.00000000000000 0.00000000000000 0.00000000000000 138.905 > 4 11 La 0.66666666666667 0.33333333333333 0.33333333333333 138.905 > 4 12 La 0.33333333333333 0.66666666666667 0.66666666666667 138.905 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.742325768029417 0.000000000000000 0.000000000000000 b -6.371162884014709 11.035177818410530 0.000000000000000 c 0.000000000000000 0.000000000000000 21.784118150000001 Atomic positions (fractional): *1 S 0.22222222222222 0.11111111111111 0.06928093376629 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.06928093376629 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.06928093376629 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.06928093376629 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.06928093376629 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.06928093376629 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.06928093376629 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.06928093376629 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.06928093376629 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.26405239956704 32.065 > 2 11 S 0.33333333333333 0.00000000000000 0.26405239956704 32.065 > 2 12 S 0.66666666666667 0.00000000000000 0.26405239956704 32.065 > 2 13 S 0.00000000000000 0.33333333333333 0.26405239956704 32.065 > 2 14 S 0.33333333333333 0.33333333333333 0.26405239956704 32.065 > 2 15 S 0.66666666666667 0.33333333333333 0.26405239956704 32.065 > 2 16 S 0.00000000000000 0.66666666666667 0.26405239956704 32.065 > 2 17 S 0.33333333333333 0.66666666666667 0.26405239956704 32.065 > 2 18 S 0.66666666666667 0.66666666666667 0.26405239956704 32.065 > 2 19 S 0.11111111111111 0.22222222222222 0.40261426709962 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.40261426709962 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.40261426709962 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.40261426709962 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.40261426709962 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.40261426709962 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.40261426709962 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.40261426709962 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.40261426709962 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.59738573290038 32.065 > 2 29 S 0.55555555555556 0.11111111111111 0.59738573290038 32.065 > 2 30 S 0.88888888888889 0.11111111111111 0.59738573290038 32.065 > 2 31 S 0.22222222222222 0.44444444444444 0.59738573290038 32.065 > 2 32 S 0.55555555555556 0.44444444444444 0.59738573290038 32.065 > 2 33 S 0.88888888888889 0.44444444444444 0.59738573290038 32.065 > 2 34 S 0.22222222222222 0.77777777777778 0.59738573290038 32.065 > 2 35 S 0.55555555555556 0.77777777777778 0.59738573290038 32.065 > 2 36 S 0.88888888888889 0.77777777777778 0.59738573290038 32.065 > 2 37 S 0.00000000000000 0.00000000000000 0.73594760043296 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.73594760043296 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.73594760043296 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.73594760043296 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.73594760043296 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.73594760043296 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.73594760043296 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.73594760043296 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.73594760043296 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.93071906623371 32.065 > 2 47 S 0.44444444444444 0.22222222222222 0.93071906623371 32.065 > 2 48 S 0.77777777777778 0.22222222222222 0.93071906623371 32.065 > 2 49 S 0.11111111111111 0.55555555555556 0.93071906623371 32.065 > 2 50 S 0.44444444444444 0.55555555555556 0.93071906623371 32.065 > 2 51 S 0.77777777777778 0.55555555555556 0.93071906623371 32.065 > 2 52 S 0.11111111111111 0.88888888888889 0.93071906623371 32.065 > 2 53 S 0.44444444444444 0.88888888888889 0.93071906623371 32.065 > 2 54 S 0.77777777777778 0.88888888888889 0.93071906623371 32.065 > 2 *55 K 0.11111111111111 0.22222222222222 0.16666666666667 39.098 > 3 56 K 0.44444444444444 0.22222222222222 0.16666666666667 39.098 > 3 57 K 0.77777777777778 0.22222222222222 0.16666666666667 39.098 > 3 58 K 0.11111111111111 0.55555555555556 0.16666666666667 39.098 > 3 59 K 0.44444444444444 0.55555555555556 0.16666666666667 39.098 > 3 60 K 0.77777777777778 0.55555555555556 0.16666666666667 39.098 > 3 61 K 0.11111111111111 0.88888888888889 0.16666666666667 39.098 > 3 62 K 0.44444444444444 0.88888888888889 0.16666666666667 39.098 > 3 63 K 0.77777777777778 0.88888888888889 0.16666666666667 39.098 > 3 64 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 3 65 K 0.33333333333333 0.00000000000000 0.50000000000000 39.098 > 3 66 K 0.66666666666667 0.00000000000000 0.50000000000000 39.098 > 3 67 K 0.00000000000000 0.33333333333333 0.50000000000000 39.098 > 3 68 K 0.33333333333333 0.33333333333333 0.50000000000000 39.098 > 3 69 K 0.66666666666667 0.33333333333333 0.50000000000000 39.098 > 3 70 K 0.00000000000000 0.66666666666667 0.50000000000000 39.098 > 3 71 K 0.33333333333333 0.66666666666667 0.50000000000000 39.098 > 3 72 K 0.66666666666667 0.66666666666667 0.50000000000000 39.098 > 3 73 K 0.22222222222222 0.11111111111111 0.83333333333333 39.098 > 3 74 K 0.55555555555556 0.11111111111111 0.83333333333333 39.098 > 3 75 K 0.88888888888889 0.11111111111111 0.83333333333333 39.098 > 3 76 K 0.22222222222222 0.44444444444444 0.83333333333333 39.098 > 3 77 K 0.55555555555556 0.44444444444444 0.83333333333333 39.098 > 3 78 K 0.88888888888889 0.44444444444444 0.83333333333333 39.098 > 3 79 K 0.22222222222222 0.77777777777778 0.83333333333333 39.098 > 3 80 K 0.55555555555556 0.77777777777778 0.83333333333333 39.098 > 3 81 K 0.88888888888889 0.77777777777778 0.83333333333333 39.098 > 3 *82 La 0.00000000000000 0.00000000000000 0.00000000000000 138.905 > 4 83 La 0.33333333333333 0.00000000000000 0.00000000000000 138.905 > 4 84 La 0.66666666666667 0.00000000000000 0.00000000000000 138.905 > 4 85 La 0.00000000000000 0.33333333333333 0.00000000000000 138.905 > 4 86 La 0.33333333333333 0.33333333333333 0.00000000000000 138.905 > 4 87 La 0.66666666666667 0.33333333333333 0.00000000000000 138.905 > 4 88 La 0.00000000000000 0.66666666666667 0.00000000000000 138.905 > 4 89 La 0.33333333333333 0.66666666666667 0.00000000000000 138.905 > 4 90 La 0.66666666666667 0.66666666666667 0.00000000000000 138.905 > 4 91 La 0.22222222222222 0.11111111111111 0.33333333333333 138.905 > 4 92 La 0.55555555555556 0.11111111111111 0.33333333333333 138.905 > 4 93 La 0.88888888888889 0.11111111111111 0.33333333333333 138.905 > 4 94 La 0.22222222222222 0.44444444444444 0.33333333333333 138.905 > 4 95 La 0.55555555555556 0.44444444444444 0.33333333333333 138.905 > 4 96 La 0.88888888888889 0.44444444444444 0.33333333333333 138.905 > 4 97 La 0.22222222222222 0.77777777777778 0.33333333333333 138.905 > 4 98 La 0.55555555555556 0.77777777777778 0.33333333333333 138.905 > 4 99 La 0.88888888888889 0.77777777777778 0.33333333333333 138.905 > 4 100 La 0.11111111111111 0.22222222222222 0.66666666666667 138.905 > 4 101 La 0.44444444444444 0.22222222222222 0.66666666666667 138.905 > 4 102 La 0.77777777777778 0.22222222222222 0.66666666666667 138.905 > 4 103 La 0.11111111111111 0.55555555555556 0.66666666666667 138.905 > 4 104 La 0.44444444444444 0.55555555555556 0.66666666666667 138.905 > 4 105 La 0.77777777777778 0.55555555555556 0.66666666666667 138.905 > 4 106 La 0.11111111111111 0.88888888888889 0.66666666666667 138.905 > 4 107 La 0.44444444444444 0.88888888888889 0.66666666666667 138.905 > 4 108 La 0.77777777777778 0.88888888888889 0.66666666666667 138.905 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3186998 -0.0000000 0.0000000 -0.0000000 5.3186998 0.0000000 0.0000000 0.0000000 3.9572700 -------------------------- Born effective charges -------------------------- 1 S -2.7660074 -0.0000000 0.0000000 -0.0000000 -2.7660074 0.0000000 0.0000000 0.0000000 -1.8133346 2 S -2.7660074 -0.0000000 0.0000000 -0.0000000 -2.7660074 0.0000000 0.0000000 0.0000000 -1.8133346 3 K 1.0325477 0.0000000 0.0000000 0.0000000 1.0325477 0.0000000 0.0000000 0.0000000 1.6648437 4 La 4.4994671 0.0000000 0.0000000 0.0000000 4.4994671 0.0000000 0.0000000 0.0000000 1.9618255 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 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: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 80 / 80 - Time: 0.135 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.142 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 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: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 01:40:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:40:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 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 2.123720961338238 1.226130868712280 7.261372716666659 b -2.123720961338234 1.226130868712280 7.261372716666659 c 0.000000000000002 -2.452261737424563 7.261372716666659 Atomic positions (fractional): 1 S 0.73594760043296 0.73594760043296 0.73594760043296 32.065 2 S 0.26405239956704 0.26405239956704 0.26405239956704 32.065 3 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 4 La 0.00000000000000 0.00000000000000 0.00000000000000 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.742325768029417 0.000000000000000 0.000000000000000 b -6.371162884014709 11.035177818410530 0.000000000000000 c 0.000000000000000 0.000000000000000 21.784118150000001 Atomic positions (fractional): 1 S 0.22222222222222 0.11111111111111 0.06928093376629 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.06928093376629 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.06928093376629 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.06928093376629 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.06928093376629 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.06928093376629 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.06928093376629 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.06928093376629 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.06928093376629 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.26405239956704 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.26405239956704 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.26405239956704 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.26405239956704 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.26405239956704 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.26405239956704 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.26405239956704 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.26405239956704 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.26405239956704 32.065 > 10 19 S 0.11111111111111 0.22222222222222 0.40261426709962 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.40261426709962 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.40261426709962 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.40261426709962 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.40261426709962 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.40261426709962 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.40261426709962 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.40261426709962 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.40261426709962 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.59738573290038 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.59738573290038 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.59738573290038 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.59738573290038 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.59738573290038 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.59738573290038 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.59738573290038 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.59738573290038 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.59738573290038 32.065 > 10 37 S 0.00000000000000 0.00000000000000 0.73594760043296 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.73594760043296 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.73594760043296 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.73594760043296 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.73594760043296 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.73594760043296 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.73594760043296 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.73594760043296 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.73594760043296 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.93071906623371 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.93071906623371 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.93071906623371 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.93071906623371 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.93071906623371 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.93071906623371 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.93071906623371 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.93071906623371 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.93071906623371 32.065 > 10 55 K 0.11111111111111 0.22222222222222 0.16666666666667 39.098 > 55 56 K 0.44444444444444 0.22222222222222 0.16666666666667 39.098 > 55 57 K 0.77777777777778 0.22222222222222 0.16666666666667 39.098 > 55 58 K 0.11111111111111 0.55555555555556 0.16666666666667 39.098 > 55 59 K 0.44444444444444 0.55555555555556 0.16666666666667 39.098 > 55 60 K 0.77777777777778 0.55555555555556 0.16666666666667 39.098 > 55 61 K 0.11111111111111 0.88888888888889 0.16666666666667 39.098 > 55 62 K 0.44444444444444 0.88888888888889 0.16666666666667 39.098 > 55 63 K 0.77777777777778 0.88888888888889 0.16666666666667 39.098 > 55 64 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 55 65 K 0.33333333333333 0.00000000000000 0.50000000000000 39.098 > 55 66 K 0.66666666666667 0.00000000000000 0.50000000000000 39.098 > 55 67 K 0.00000000000000 0.33333333333333 0.50000000000000 39.098 > 55 68 K 0.33333333333333 0.33333333333333 0.50000000000000 39.098 > 55 69 K 0.66666666666667 0.33333333333333 0.50000000000000 39.098 > 55 70 K 0.00000000000000 0.66666666666667 0.50000000000000 39.098 > 55 71 K 0.33333333333333 0.66666666666667 0.50000000000000 39.098 > 55 72 K 0.66666666666667 0.66666666666667 0.50000000000000 39.098 > 55 73 K 0.22222222222222 0.11111111111111 0.83333333333333 39.098 > 55 74 K 0.55555555555556 0.11111111111111 0.83333333333333 39.098 > 55 75 K 0.88888888888889 0.11111111111111 0.83333333333333 39.098 > 55 76 K 0.22222222222222 0.44444444444444 0.83333333333333 39.098 > 55 77 K 0.55555555555556 0.44444444444444 0.83333333333333 39.098 > 55 78 K 0.88888888888889 0.44444444444444 0.83333333333333 39.098 > 55 79 K 0.22222222222222 0.77777777777778 0.83333333333333 39.098 > 55 80 K 0.55555555555556 0.77777777777778 0.83333333333333 39.098 > 55 81 K 0.88888888888889 0.77777777777778 0.83333333333333 39.098 > 55 82 La 0.00000000000000 0.00000000000000 0.00000000000000 138.905 > 82 83 La 0.33333333333333 0.00000000000000 0.00000000000000 138.905 > 82 84 La 0.66666666666667 0.00000000000000 0.00000000000000 138.905 > 82 85 La 0.00000000000000 0.33333333333333 0.00000000000000 138.905 > 82 86 La 0.33333333333333 0.33333333333333 0.00000000000000 138.905 > 82 87 La 0.66666666666667 0.33333333333333 0.00000000000000 138.905 > 82 88 La 0.00000000000000 0.66666666666667 0.00000000000000 138.905 > 82 89 La 0.33333333333333 0.66666666666667 0.00000000000000 138.905 > 82 90 La 0.66666666666667 0.66666666666667 0.00000000000000 138.905 > 82 91 La 0.22222222222222 0.11111111111111 0.33333333333333 138.905 > 82 92 La 0.55555555555556 0.11111111111111 0.33333333333333 138.905 > 82 93 La 0.88888888888889 0.11111111111111 0.33333333333333 138.905 > 82 94 La 0.22222222222222 0.44444444444444 0.33333333333333 138.905 > 82 95 La 0.55555555555556 0.44444444444444 0.33333333333333 138.905 > 82 96 La 0.88888888888889 0.44444444444444 0.33333333333333 138.905 > 82 97 La 0.22222222222222 0.77777777777778 0.33333333333333 138.905 > 82 98 La 0.55555555555556 0.77777777777778 0.33333333333333 138.905 > 82 99 La 0.88888888888889 0.77777777777778 0.33333333333333 138.905 > 82 100 La 0.11111111111111 0.22222222222222 0.66666666666667 138.905 > 82 101 La 0.44444444444444 0.22222222222222 0.66666666666667 138.905 > 82 102 La 0.77777777777778 0.22222222222222 0.66666666666667 138.905 > 82 103 La 0.11111111111111 0.55555555555556 0.66666666666667 138.905 > 82 104 La 0.44444444444444 0.55555555555556 0.66666666666667 138.905 > 82 105 La 0.77777777777778 0.55555555555556 0.66666666666667 138.905 > 82 106 La 0.11111111111111 0.88888888888889 0.66666666666667 138.905 > 82 107 La 0.44444444444444 0.88888888888889 0.66666666666667 138.905 > 82 108 La 0.77777777777778 0.88888888888889 0.66666666666667 138.905 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3186998 -0.0000000 0.0000000 -0.0000000 5.3186998 0.0000000 0.0000000 0.0000000 3.9572700 -------------------------- Born effective charges -------------------------- 1 S -2.7660074 -0.0000000 0.0000000 -0.0000000 -2.7660074 0.0000000 0.0000000 0.0000000 -1.8133346 2 S -2.7660074 -0.0000000 0.0000000 -0.0000000 -2.7660074 0.0000000 0.0000000 0.0000000 -1.8133346 3 K 1.0325477 0.0000000 0.0000000 0.0000000 1.0325477 0.0000000 0.0000000 0.0000000 1.6648437 4 La 4.4994671 0.0000000 0.0000000 0.0000000 4.4994671 0.0000000 0.0000000 0.0000000 1.9618255 ---------------------------------------------------------------------------- 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[ 55, 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[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) 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 01:40:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:40:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 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 2.123720961338238 1.226130868712280 7.261372716666659 b -2.123720961338234 1.226130868712280 7.261372716666659 c 0.000000000000002 -2.452261737424563 7.261372716666659 Atomic positions (fractional): 1 S 0.73594760043296 0.73594760043296 0.73594760043296 32.065 2 S 0.26405239956704 0.26405239956704 0.26405239956704 32.065 3 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 4 La 0.00000000000000 0.00000000000000 0.00000000000000 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.742325768029417 0.000000000000000 0.000000000000000 b -6.371162884014709 11.035177818410530 0.000000000000000 c 0.000000000000000 0.000000000000000 21.784118150000001 Atomic positions (fractional): 1 S 0.22222222222222 0.11111111111111 0.06928093376629 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.06928093376629 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.06928093376629 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.06928093376629 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.06928093376629 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.06928093376629 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.06928093376629 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.06928093376629 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.06928093376629 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.26405239956704 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.26405239956704 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.26405239956704 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.26405239956704 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.26405239956704 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.26405239956704 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.26405239956704 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.26405239956704 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.26405239956704 32.065 > 10 19 S 0.11111111111111 0.22222222222222 0.40261426709962 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.40261426709962 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.40261426709962 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.40261426709962 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.40261426709962 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.40261426709962 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.40261426709962 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.40261426709962 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.40261426709962 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.59738573290038 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.59738573290038 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.59738573290038 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.59738573290038 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.59738573290038 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.59738573290038 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.59738573290038 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.59738573290038 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.59738573290038 32.065 > 10 37 S 0.00000000000000 0.00000000000000 0.73594760043296 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.73594760043296 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.73594760043296 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.73594760043296 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.73594760043296 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.73594760043296 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.73594760043296 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.73594760043296 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.73594760043296 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.93071906623371 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.93071906623371 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.93071906623371 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.93071906623371 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.93071906623371 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.93071906623371 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.93071906623371 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.93071906623371 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.93071906623371 32.065 > 10 55 K 0.11111111111111 0.22222222222222 0.16666666666667 39.098 > 55 56 K 0.44444444444444 0.22222222222222 0.16666666666667 39.098 > 55 57 K 0.77777777777778 0.22222222222222 0.16666666666667 39.098 > 55 58 K 0.11111111111111 0.55555555555556 0.16666666666667 39.098 > 55 59 K 0.44444444444444 0.55555555555556 0.16666666666667 39.098 > 55 60 K 0.77777777777778 0.55555555555556 0.16666666666667 39.098 > 55 61 K 0.11111111111111 0.88888888888889 0.16666666666667 39.098 > 55 62 K 0.44444444444444 0.88888888888889 0.16666666666667 39.098 > 55 63 K 0.77777777777778 0.88888888888889 0.16666666666667 39.098 > 55 64 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 55 65 K 0.33333333333333 0.00000000000000 0.50000000000000 39.098 > 55 66 K 0.66666666666667 0.00000000000000 0.50000000000000 39.098 > 55 67 K 0.00000000000000 0.33333333333333 0.50000000000000 39.098 > 55 68 K 0.33333333333333 0.33333333333333 0.50000000000000 39.098 > 55 69 K 0.66666666666667 0.33333333333333 0.50000000000000 39.098 > 55 70 K 0.00000000000000 0.66666666666667 0.50000000000000 39.098 > 55 71 K 0.33333333333333 0.66666666666667 0.50000000000000 39.098 > 55 72 K 0.66666666666667 0.66666666666667 0.50000000000000 39.098 > 55 73 K 0.22222222222222 0.11111111111111 0.83333333333333 39.098 > 55 74 K 0.55555555555556 0.11111111111111 0.83333333333333 39.098 > 55 75 K 0.88888888888889 0.11111111111111 0.83333333333333 39.098 > 55 76 K 0.22222222222222 0.44444444444444 0.83333333333333 39.098 > 55 77 K 0.55555555555556 0.44444444444444 0.83333333333333 39.098 > 55 78 K 0.88888888888889 0.44444444444444 0.83333333333333 39.098 > 55 79 K 0.22222222222222 0.77777777777778 0.83333333333333 39.098 > 55 80 K 0.55555555555556 0.77777777777778 0.83333333333333 39.098 > 55 81 K 0.88888888888889 0.77777777777778 0.83333333333333 39.098 > 55 82 La 0.00000000000000 0.00000000000000 0.00000000000000 138.905 > 82 83 La 0.33333333333333 0.00000000000000 0.00000000000000 138.905 > 82 84 La 0.66666666666667 0.00000000000000 0.00000000000000 138.905 > 82 85 La 0.00000000000000 0.33333333333333 0.00000000000000 138.905 > 82 86 La 0.33333333333333 0.33333333333333 0.00000000000000 138.905 > 82 87 La 0.66666666666667 0.33333333333333 0.00000000000000 138.905 > 82 88 La 0.00000000000000 0.66666666666667 0.00000000000000 138.905 > 82 89 La 0.33333333333333 0.66666666666667 0.00000000000000 138.905 > 82 90 La 0.66666666666667 0.66666666666667 0.00000000000000 138.905 > 82 91 La 0.22222222222222 0.11111111111111 0.33333333333333 138.905 > 82 92 La 0.55555555555556 0.11111111111111 0.33333333333333 138.905 > 82 93 La 0.88888888888889 0.11111111111111 0.33333333333333 138.905 > 82 94 La 0.22222222222222 0.44444444444444 0.33333333333333 138.905 > 82 95 La 0.55555555555556 0.44444444444444 0.33333333333333 138.905 > 82 96 La 0.88888888888889 0.44444444444444 0.33333333333333 138.905 > 82 97 La 0.22222222222222 0.77777777777778 0.33333333333333 138.905 > 82 98 La 0.55555555555556 0.77777777777778 0.33333333333333 138.905 > 82 99 La 0.88888888888889 0.77777777777778 0.33333333333333 138.905 > 82 100 La 0.11111111111111 0.22222222222222 0.66666666666667 138.905 > 82 101 La 0.44444444444444 0.22222222222222 0.66666666666667 138.905 > 82 102 La 0.77777777777778 0.22222222222222 0.66666666666667 138.905 > 82 103 La 0.11111111111111 0.55555555555556 0.66666666666667 138.905 > 82 104 La 0.44444444444444 0.55555555555556 0.66666666666667 138.905 > 82 105 La 0.77777777777778 0.55555555555556 0.66666666666667 138.905 > 82 106 La 0.11111111111111 0.88888888888889 0.66666666666667 138.905 > 82 107 La 0.44444444444444 0.88888888888889 0.66666666666667 138.905 > 82 108 La 0.77777777777778 0.88888888888889 0.66666666666667 138.905 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.3186998 -0.0000000 0.0000000 -0.0000000 5.3186998 0.0000000 0.0000000 0.0000000 3.9572700 -------------------------- Born effective charges -------------------------- 1 S -2.7660074 -0.0000000 0.0000000 -0.0000000 -2.7660074 0.0000000 0.0000000 0.0000000 -1.8133346 2 S -2.7660074 -0.0000000 0.0000000 -0.0000000 -2.7660074 0.0000000 0.0000000 0.0000000 -1.8133346 3 K 1.0325477 0.0000000 0.0000000 0.0000000 1.0325477 0.0000000 0.0000000 0.0000000 1.6648437 4 La 4.4994671 0.0000000 0.0000000 0.0000000 4.4994671 0.0000000 0.0000000 0.0000000 1.9618255 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 14 14 14 ] 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: 0.86, Number of G-points: 313, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/288) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.852 ( 0.000 0.000 0.000) 0.000 2.852 ( 0.000 0.000 0.000) 0.000 4.482 ( 0.000 0.000 0.000) 0.000 5.136 ( 0.000 0.000 0.000) 0.000 5.136 ( 0.000 0.000 0.000) 0.000 5.773 ( 0.000 0.000 0.000) 0.000 5.773 ( 0.000 0.000 0.000) 0.000 6.481 ( 0.000 0.000 0.000) 0.000 7.164 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/288) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( 21.490 12.407 -2.236) 24.915 0.484 ( 21.618 12.481 -1.556) 25.011 0.964 ( 40.877 23.600 10.338) 48.320 2.860 ( 0.593 0.343 0.384) 0.785 2.902 ( 4.434 2.560 -1.757) 5.413 4.458 ( -2.578 -1.489 1.084) 3.168 5.151 ( 1.232 0.711 0.730) 1.599 5.755 ( -1.452 -0.838 -0.385) 1.720 5.788 ( 1.083 0.625 0.298) 1.286 6.432 ( -1.645 -0.950 -8.449) 8.660 7.115 ( -4.600 -2.656 2.323) 5.797 8.554 ( -1.994 -1.151 -9.853) 10.118 ======================= Grid point 2 (3/288) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 21.745 12.554 -2.451) 25.228 0.954 ( 20.828 12.025 -3.116) 24.251 1.886 ( 38.306 22.116 7.603) 44.880 2.879 ( 0.904 0.522 0.802) 1.316 3.029 ( 7.292 4.210 -2.682) 8.837 4.380 ( -4.458 -2.574 0.347) 5.160 5.194 ( 2.273 1.312 1.386) 2.968 5.712 ( -1.981 -1.144 -0.842) 2.437 5.806 ( -0.094 -0.054 0.573) 0.583 6.353 ( -3.269 -1.887 -2.794) 4.696 6.984 ( -7.706 -4.449 4.031) 9.769 8.434 ( -5.880 -3.395 -9.198) 11.432 ======================= Grid point 3 (4/288) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 19.002 10.971 -5.124) 22.532 1.423 ( 21.083 12.172 -2.831) 24.509 2.708 ( 32.815 18.946 2.148) 37.952 2.902 ( 0.784 0.453 1.302) 1.586 3.202 ( 8.668 5.004 -1.051) 10.064 4.268 ( -5.738 -3.313 2.478) 7.074 5.255 ( 2.363 1.364 1.926) 3.340 5.674 ( -0.741 -0.428 -1.369) 1.615 5.773 ( -2.801 -1.617 0.364) 3.255 6.277 ( -3.362 -1.941 0.379) 3.900 6.809 ( -8.862 -5.116 4.822) 11.312 8.237 ( -8.434 -4.869 -10.725) 14.487 ======================= Grid point 4 (5/288) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 15.910 9.186 -6.782) 19.583 1.863 ( 18.761 10.832 -3.309) 21.914 2.920 ( 0.234 0.135 1.907) 1.926 3.286 ( 16.229 9.370 -7.714) 20.265 3.460 ( 16.353 9.442 4.796) 19.483 4.150 ( -5.862 -3.385 7.197) 9.881 5.300 ( 0.916 0.529 2.023) 2.283 5.683 ( 2.129 1.229 -1.581) 2.923 5.706 ( -2.667 -1.540 0.577) 3.133 6.187 ( -5.144 -2.970 1.066) 6.035 6.625 ( -8.770 -5.063 3.661) 10.768 8.010 ( -8.072 -4.661 -10.352) 13.930 ======================= Grid point 5 (6/288) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 11.607 6.701 -6.920) 15.083 2.230 ( 14.653 8.460 -3.616) 17.302 2.923 ( -0.664 -0.383 2.482) 2.598 3.518 ( 9.023 5.209 -2.610) 10.741 3.786 ( 8.354 4.823 -3.974) 10.433 4.082 ( -1.996 -1.152 11.726) 11.950 5.311 ( -0.231 -0.134 1.444) 1.469 5.680 ( 0.357 0.206 0.565) 0.700 5.749 ( 3.725 2.151 -1.155) 4.454 6.058 ( -6.491 -3.748 2.397) 7.869 6.440 ( -7.949 -4.589 -1.175) 9.254 7.831 ( -5.083 -2.935 -6.653) 8.872 ======================= Grid point 6 (7/288) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 6.223 3.593 -4.529) 8.494 2.485 ( 8.821 5.093 -3.044) 10.631 2.906 ( -1.426 -0.823 2.396) 2.907 3.692 ( 6.440 3.718 -2.437) 7.825 3.834 ( -0.498 -0.288 3.126) 3.179 4.105 ( -0.161 -0.093 3.118) 3.123 5.307 ( -0.285 -0.165 0.701) 0.775 5.712 ( 2.057 1.188 -1.775) 2.965 5.822 ( 2.637 1.522 -0.561) 3.096 5.933 ( -5.368 -3.099 5.863) 8.532 6.285 ( -4.388 -2.534 -4.781) 6.967 7.738 ( -2.085 -1.204 -2.484) 3.459 ======================= Grid point 7 (8/288) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 0.000 0.000 0.000) 0.000 2.585 ( 0.000 0.000 0.000) 0.000 2.889 ( 0.000 0.000 0.000) 0.000 3.750 ( 0.000 0.000 0.000) 0.000 3.854 ( 0.000 0.000 0.000) 0.000 4.093 ( 0.000 0.000 -0.000) 0.000 5.305 ( 0.000 0.000 0.000) 0.000 5.736 ( 0.000 0.000 0.000) 0.000 5.852 ( 0.000 0.000 0.000) 0.000 5.877 ( -0.000 -0.000 0.000) 0.000 6.227 ( 0.000 0.000 -0.000) 0.000 7.712 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 16 (9/288) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 0.000 24.892 8.664) 26.357 0.548 ( 0.000 23.933 12.471) 26.987 0.940 ( 0.000 45.742 6.579) 46.212 2.846 ( -0.000 0.174 -2.378) 2.384 2.908 ( -0.000 5.571 -0.435) 5.588 4.457 ( 0.000 -4.121 0.821) 4.202 5.141 ( -0.000 0.991 -1.257) 1.601 5.762 ( 0.000 -1.376 1.015) 1.710 5.784 ( -0.000 1.062 -0.417) 1.141 6.376 ( -0.000 1.426 -18.405) 18.460 7.125 ( 0.000 -5.388 4.113) 6.778 8.529 ( -0.000 1.608 -13.603) 13.698 ======================= Grid point 17 (10/288) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 6.578 21.088 8.730) 23.752 0.951 ( 9.436 25.567 1.279) 27.283 1.642 ( 25.182 36.311 7.932) 44.895 2.862 ( 2.215 0.535 -2.124) 3.115 2.987 ( 2.435 6.921 -1.631) 7.516 4.396 ( -1.858 -4.757 -1.129) 5.230 5.171 ( 2.252 1.328 -0.465) 2.656 5.732 ( -1.790 -1.315 0.406) 2.258 5.800 ( 0.654 0.048 0.047) 0.657 6.333 ( 0.444 -2.727 -9.626) 10.014 7.042 ( -4.033 -7.378 5.481) 10.037 8.456 ( -4.048 -2.241 -9.885) 10.914 ======================= Grid point 18 (11/288) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 13.833 17.043 2.726) 22.118 1.362 ( 11.072 23.208 -1.480) 25.756 2.430 ( 27.371 28.257 3.645) 39.508 2.907 ( 1.699 2.354 -0.457) 2.939 3.115 ( 6.198 5.966 -1.722) 8.774 4.302 ( -2.941 -5.423 0.088) 6.170 5.232 ( 2.927 1.852 0.652) 3.525 5.690 ( -1.860 -0.472 -0.445) 1.970 5.789 ( -1.096 -2.037 0.057) 2.314 6.282 ( -0.381 -3.073 -3.728) 4.846 6.894 ( -6.475 -8.183 6.259) 12.168 8.287 ( -7.690 -4.770 -10.457) 13.829 ======================= Grid point 19 (12/288) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 14.448 13.406 -2.711) 19.895 1.762 ( 11.867 20.396 -1.896) 23.673 2.947 ( 0.484 3.820 -0.032) 3.851 3.072 ( 18.983 16.768 -6.152) 26.065 3.329 ( 12.415 8.621 4.740) 15.840 4.201 ( -3.185 -5.521 4.039) 7.546 5.299 ( 1.979 2.109 1.634) 3.322 5.670 ( -0.040 1.027 -1.289) 1.649 5.732 ( -2.407 -2.456 -0.046) 3.440 6.225 ( -2.304 -3.123 -1.228) 4.071 6.717 ( -7.499 -8.028 6.068) 12.550 8.057 ( -8.454 -5.958 -10.953) 15.064 ======================= Grid point 20 (13/288) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 12.129 9.656 -6.249) 16.715 2.135 ( 10.811 17.596 -1.904) 20.739 2.971 ( -1.912 3.890 1.097) 4.472 3.382 ( 11.491 5.823 -5.708) 14.090 3.680 ( 11.437 9.944 0.130) 15.156 4.130 ( -1.774 -3.908 9.514) 10.437 5.342 ( -0.371 2.617 2.053) 3.346 5.679 ( -0.465 -1.289 -0.684) 1.532 5.709 ( 2.258 2.216 -0.826) 3.270 6.133 ( -4.640 -2.645 -0.117) 5.342 6.522 ( -8.518 -7.600 2.510) 11.688 7.847 ( -5.311 -5.620 -8.311) 11.352 ======================= Grid point 21 (14/288) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 8.780 6.016 -6.362) 12.400 2.439 ( 7.160 14.676 -2.340) 16.496 2.966 ( -3.296 2.997 1.875) 4.833 3.591 ( 8.938 4.390 -3.304) 10.491 3.830 ( 1.794 1.583 -0.785) 2.519 4.132 ( -0.309 -0.673 8.316) 8.349 5.357 ( -2.136 3.892 1.627) 4.728 5.675 ( 1.424 -0.885 -1.792) 2.454 5.781 ( 3.482 1.976 0.026) 4.004 6.038 ( -5.361 -0.283 3.637) 6.485 6.313 ( -6.733 -6.522 -3.806) 10.118 7.724 ( -1.198 -4.548 -3.839) 6.071 ======================= Grid point 22 (15/288) ======================= q-point: ( 0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 4.144 2.373 -3.566) 5.960 2.632 ( 0.962 11.414 -1.803) 11.595 2.934 ( -3.701 1.948 1.767) 4.540 3.717 ( 3.568 1.666 -4.305) 5.835 3.852 ( 0.280 -0.011 0.429) 0.512 4.124 ( -1.913 -0.425 5.747) 6.072 5.359 ( -2.974 4.729 0.788) 5.642 5.687 ( 2.415 -1.767 -1.965) 3.581 5.857 ( 2.438 2.778 0.497) 3.729 5.949 ( -6.959 -0.002 2.911) 7.543 6.196 ( 0.709 -3.457 -2.826) 4.521 7.681 ( 1.320 -3.538 -0.926) 3.889 ======================= Grid point 23 (16/288) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( -1.753 -1.321 0.742) 2.317 2.649 ( -9.127 5.395 1.556) 10.716 2.919 ( -0.897 3.653 -1.124) 3.926 3.741 ( -1.509 -1.981 1.074) 2.711 3.804 ( -0.811 -0.687 -9.127) 9.189 4.129 ( -1.362 0.887 6.179) 6.389 5.355 ( -3.026 4.495 -0.156) 5.421 5.706 ( 1.614 -2.564 1.785) 3.517 5.843 ( -3.754 -1.369 -2.339) 4.630 5.922 ( 0.870 5.707 -2.294) 6.212 6.229 ( 4.840 -1.137 3.519) 6.091 7.691 ( 3.401 -2.458 0.993) 4.312 ======================= Grid point 24 (17/288) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( -8.059 -4.482 4.362) 10.201 2.465 ( -15.986 0.344 2.976) 16.264 2.945 ( -1.040 4.922 -2.318) 5.539 3.599 ( -6.946 -5.858 -1.668) 9.238 3.837 ( 2.369 1.057 -0.405) 2.626 4.075 ( -5.942 -1.388 -2.150) 6.470 5.344 ( -2.539 3.240 -1.029) 4.243 5.686 ( -1.155 -1.467 0.469) 1.925 5.780 ( -2.193 -1.977 -0.172) 2.958 6.006 ( 3.650 5.931 -2.822) 7.514 6.346 ( 7.478 1.083 2.881) 8.087 7.764 ( 6.413 -0.623 4.008) 7.588 ======================= Grid point 25 (18/288) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -14.244 -6.854 5.597) 16.769 2.158 ( -20.275 -1.690 2.873) 20.547 2.955 ( -2.330 4.373 -2.193) 5.419 3.420 ( -7.341 -6.395 1.727) 9.888 3.698 ( -19.815 -6.332 3.712) 21.131 4.035 ( 6.476 1.373 -9.468) 11.552 5.323 ( -2.179 1.448 -1.602) 3.068 5.679 ( 1.250 0.601 -0.552) 1.493 5.719 ( -2.916 -1.155 1.159) 3.344 6.126 ( 5.055 3.753 -1.576) 6.490 6.504 ( 8.793 2.115 -1.107) 9.111 7.924 ( 9.581 1.830 7.178) 12.111 ======================= Grid point 26 (19/288) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -19.719 -8.443 4.175) 21.853 1.787 ( -23.015 -1.194 3.099) 23.253 2.938 ( -2.917 2.815 -1.789) 4.431 3.115 ( -30.155 -9.967 2.635) 31.869 3.299 ( -9.759 -5.234 -1.438) 11.167 4.161 ( 8.195 1.541 -3.917) 9.213 5.283 ( -2.763 -0.168 -1.623) 3.209 5.684 ( -1.025 0.269 1.350) 1.717 5.730 ( 3.408 1.074 -0.463) 3.603 6.224 ( 4.149 1.580 -1.571) 4.709 6.675 ( 9.712 2.297 -2.539) 10.298 8.149 ( 10.602 3.065 7.492) 13.339 ======================= Grid point 27 (20/288) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -22.670 -7.237 2.015) 23.882 1.384 ( -25.467 0.030 2.762) 25.616 2.397 ( -41.076 -9.039 -2.494) 42.133 2.905 ( -2.486 0.930 -1.034) 2.848 3.132 ( -7.541 -2.704 1.375) 8.128 4.296 ( 7.065 0.903 -0.993) 7.191 5.224 ( -2.990 -0.636 -1.016) 3.222 5.696 ( 1.169 0.713 0.797) 1.584 5.787 ( 2.184 0.195 -0.387) 2.227 6.299 ( 4.367 0.679 -0.459) 4.443 6.854 ( 9.809 1.733 -1.793) 10.121 8.363 ( 8.885 2.175 4.757) 10.310 ======================= Grid point 28 (21/288) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -23.190 -0.000 0.000) 23.190 0.947 ( -27.304 -0.000 0.000) 27.304 1.600 ( -45.990 -0.000 0.000) 45.990 2.873 ( -1.448 -0.000 0.000) 1.448 2.995 ( -7.185 -0.000 0.000) 7.185 4.401 ( 4.877 0.000 -0.000) 4.877 5.173 ( -2.231 -0.000 0.000) 2.231 5.730 ( 1.980 0.000 -0.000) 1.980 5.800 ( -0.400 -0.000 0.000) 0.400 6.383 ( 4.855 0.000 -0.000) 4.855 7.014 ( 8.145 0.000 -0.000) 8.145 8.508 ( 5.880 0.000 -0.000) 5.880 ======================= Grid point 31 (22/288) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 0.000 23.844 7.195) 24.905 1.089 ( 0.000 23.829 10.628) 26.091 1.853 ( -0.000 43.945 5.229) 44.256 2.828 ( -0.000 0.228 -4.198) 4.204 3.045 ( -0.000 8.505 -1.337) 8.609 4.350 ( -0.000 -6.126 -2.386) 6.574 5.160 ( -0.000 2.125 -1.807) 2.789 5.737 ( 0.000 -1.843 1.551) 2.409 5.791 ( -0.000 -0.463 -0.873) 0.988 6.260 ( -0.000 -2.947 -10.657) 11.057 7.011 ( 0.000 -9.565 5.963) 11.271 8.443 ( -0.000 -3.135 -7.937) 8.533 ======================= Grid point 32 (23/288) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 0.730 22.820 8.408) 24.331 1.443 ( 7.303 23.094 3.545) 24.479 2.407 ( 13.618 37.400 2.739) 39.896 2.859 ( 4.604 1.294 -3.231) 5.772 3.127 ( 0.692 8.116 -1.747) 8.331 4.270 ( -0.971 -6.890 -1.531) 7.124 5.202 ( 2.594 2.464 -1.017) 3.719 5.713 ( -1.338 -0.949 0.765) 1.810 5.775 ( -0.143 -2.520 -0.701) 2.620 6.215 ( 1.630 -3.496 -6.877) 7.884 6.904 ( -3.144 -10.555 6.071) 12.576 8.329 ( -5.708 -4.892 -7.767) 10.810 ======================= Grid point 33 (24/288) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 5.060 19.068 3.064) 19.965 1.804 ( 8.634 22.166 1.651) 23.846 2.894 ( 10.148 11.083 -5.919) 16.151 3.026 ( 7.201 16.094 -2.126) 17.759 3.257 ( 7.746 10.521 3.511) 13.528 4.184 ( -1.097 -6.913 1.798) 7.227 5.279 ( 3.390 2.786 0.482) 4.414 5.688 ( -1.144 0.280 -0.748) 1.396 5.735 ( -0.989 -2.724 -0.340) 2.918 6.189 ( 1.189 -3.880 -3.838) 5.586 6.753 ( -4.870 -10.400 6.141) 13.023 8.117 ( -9.272 -6.210 -8.628) 14.106 ======================= Grid point 34 (25/288) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 6.740 13.528 -2.628) 15.340 2.169 ( 8.497 21.457 1.583) 23.133 3.039 ( 1.262 5.858 -1.476) 6.171 3.234 ( 9.272 6.436 -6.261) 12.907 3.607 ( 11.107 14.583 1.105) 18.364 4.125 ( 0.029 -5.045 6.725) 8.407 5.362 ( 2.273 3.125 2.100) 4.398 5.666 ( -0.498 -1.503 -1.794) 2.393 5.716 ( -0.038 2.213 -0.565) 2.284 6.143 ( -0.850 -3.734 -2.909) 4.809 6.581 ( -6.427 -9.564 5.107) 12.604 7.871 ( -8.268 -6.674 -7.902) 13.242 ======================= Grid point 35 (26/288) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 6.979 8.818 -5.117) 12.355 2.498 ( 5.974 19.533 0.844) 20.443 3.071 ( -3.160 5.885 -0.478) 6.697 3.455 ( 11.357 4.584 -2.207) 12.445 3.809 ( 3.092 3.663 -2.136) 5.247 4.143 ( 1.356 -0.285 7.459) 7.586 5.427 ( 0.281 4.234 2.906) 5.143 5.643 ( 0.242 -1.292 -2.268) 2.621 5.759 ( 1.753 3.382 -0.876) 3.909 6.089 ( -1.014 -1.408 -1.298) 2.166 6.375 ( -8.990 -8.328 1.165) 12.310 7.687 ( -3.190 -6.366 -4.560) 8.456 ======================= Grid point 36 (27/288) ======================= q-point: ( 0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 5.345 4.944 -4.654) 8.641 2.745 ( 2.127 16.807 -0.077) 16.941 3.051 ( -5.408 4.650 1.011) 7.203 3.646 ( 6.358 3.307 -3.069) 7.796 3.848 ( 0.968 0.518 0.690) 1.296 4.161 ( -0.987 -0.698 4.518) 4.677 5.468 ( -2.262 5.573 1.992) 6.336 5.634 ( 1.191 -1.180 -2.305) 2.850 5.833 ( 3.602 2.947 0.138) 4.656 6.075 ( -3.138 1.281 3.054) 4.562 6.151 ( -5.492 -6.811 -4.282) 9.741 7.606 ( 1.193 -5.778 -1.479) 6.082 ======================= Grid point 37 (28/288) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 1.597 1.306 -2.249) 3.051 2.880 ( -5.654 13.507 0.596) 14.655 2.996 ( -4.360 3.575 0.851) 5.702 3.716 ( 2.241 0.716 -2.507) 3.438 3.817 ( -4.477 -1.559 -6.084) 7.713 4.175 ( 0.609 0.727 8.015) 8.071 5.468 ( -4.080 4.923 -0.071) 6.394 5.652 ( 2.396 -0.900 0.344) 2.582 5.921 ( -3.756 2.529 -1.351) 4.725 5.944 ( -0.555 0.416 -0.813) 1.068 6.138 ( 3.873 -1.832 1.662) 4.595 7.593 ( 3.679 -5.033 -0.002) 6.235 ======================= Grid point 38 (29/288) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -3.698 -1.746 0.762) 4.160 2.770 ( -15.419 4.444 2.452) 16.233 3.031 ( -1.677 8.849 -0.930) 9.055 3.640 ( -6.899 -6.446 -4.339) 10.391 3.774 ( 3.833 1.503 -4.682) 6.234 4.188 ( -4.697 0.762 6.065) 7.709 5.432 ( -4.169 2.763 -1.373) 5.186 5.678 ( 0.941 -1.563 1.776) 2.546 5.823 ( -4.357 1.431 -0.671) 4.635 6.018 ( 1.355 5.217 -2.879) 6.110 6.226 ( 7.510 -1.423 3.209) 8.290 7.638 ( 6.753 -3.483 1.601) 7.765 ======================= Grid point 39 (30/288) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( -9.775 -3.329 2.627) 10.655 2.507 ( -19.743 1.609 1.757) 19.886 3.065 ( -4.006 8.234 -0.963) 9.208 3.452 ( -5.312 -7.716 -2.303) 9.646 3.859 ( 4.710 0.992 0.285) 4.822 4.032 ( -14.011 -1.661 -1.052) 14.148 5.381 ( -3.355 1.078 -1.460) 3.814 5.672 ( -0.031 -0.444 0.503) 0.671 5.776 ( -3.833 1.412 0.793) 4.161 6.087 ( 3.089 3.379 -1.626) 4.859 6.365 ( 8.710 -0.006 0.397) 8.719 7.772 ( 10.695 -0.916 3.476) 11.283 ======================= Grid point 40 (31/288) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -16.633 -2.971 2.176) 17.036 2.166 ( -21.851 0.345 0.998) 21.876 3.042 ( -5.651 4.547 -1.121) 7.339 3.307 ( -4.551 -5.030 0.903) 6.843 3.617 ( -27.618 -2.948 1.203) 27.801 4.012 ( 8.764 0.576 -3.329) 9.393 5.331 ( -3.112 0.256 -0.846) 3.235 5.688 ( 1.978 0.246 0.025) 1.993 5.726 ( -3.151 0.666 0.595) 3.275 6.166 ( 3.798 1.218 -0.866) 4.081 6.519 ( 9.508 0.446 -0.803) 9.552 7.986 ( 12.728 0.722 3.183) 13.139 ======================= Grid point 41 (32/288) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -22.116 -0.000 0.000) 22.116 1.795 ( -22.924 -0.000 0.000) 22.924 2.970 ( -4.646 -0.000 0.000) 4.646 3.015 ( -35.334 -0.000 0.000) 35.334 3.237 ( -7.337 -0.000 0.000) 7.337 4.162 ( 8.843 0.000 -0.000) 8.843 5.274 ( -3.427 -0.000 0.000) 3.427 5.696 ( -0.803 -0.000 0.000) 0.803 5.738 ( 3.376 0.000 -0.000) 3.376 6.232 ( 3.777 0.000 -0.000) 3.777 6.688 ( 10.252 0.000 -0.000) 10.252 8.207 ( 11.707 0.000 -0.000) 11.707 ======================= Grid point 46 (33/288) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 0.000 20.643 4.407) 21.108 1.603 ( 0.000 22.556 7.737) 23.846 2.694 ( -0.000 39.272 1.623) 39.306 2.802 ( -0.000 0.264 -4.785) 4.793 3.199 ( -0.000 8.358 -2.041) 8.604 4.202 ( 0.000 -7.472 -0.877) 7.523 5.201 ( -0.000 3.081 -1.175) 3.297 5.717 ( 0.000 -0.988 1.168) 1.530 5.743 ( -0.000 -3.509 -1.426) 3.788 6.143 ( -0.000 -3.203 -6.213) 6.990 6.840 ( 0.000 -11.599 5.200) 12.712 8.306 ( -0.000 -6.072 -6.211) 8.686 ======================= Grid point 47 (34/288) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -0.298 17.988 2.639) 18.183 1.896 ( 6.274 20.976 4.768) 22.407 2.827 ( 4.563 2.830 -4.792) 7.197 3.093 ( 4.924 23.150 -6.647) 24.584 3.305 ( 2.932 14.829 3.724) 15.568 4.130 ( -0.183 -6.787 2.281) 7.163 5.255 ( 2.777 3.318 -0.013) 4.327 5.692 ( -0.778 -2.767 -1.171) 3.103 5.719 ( 0.279 -0.713 0.195) 0.790 6.109 ( 1.601 -3.745 -4.419) 6.010 6.723 ( -2.251 -11.358 4.517) 12.428 8.167 ( -6.283 -7.014 -6.172) 11.259 ======================= Grid point 48 (35/288) ======================= q-point: ( 0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 1.201 13.011 -1.667) 13.172 2.246 ( 8.705 20.972 4.597) 23.167 2.968 ( 9.661 3.446 -3.315) 10.780 3.212 ( 0.375 6.871 -7.252) 9.998 3.614 ( 6.926 17.920 0.618) 19.222 4.096 ( 0.694 -2.796 6.695) 7.289 5.348 ( 3.619 3.403 1.849) 5.301 5.652 ( -0.431 -1.993 -1.796) 2.718 5.731 ( 0.639 1.891 -0.602) 2.085 6.083 ( 1.390 -4.464 -3.624) 5.916 6.581 ( -3.586 -10.372 4.154) 11.734 7.937 ( -9.569 -7.204 -6.063) 13.425 ======================= Grid point 49 (36/288) ======================= q-point: ( 0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 3.422 8.962 -3.913) 10.360 2.596 ( 6.790 19.774 4.230) 21.331 3.143 ( 3.686 6.463 -3.754) 8.333 3.300 ( 8.789 3.320 -0.959) 9.444 3.785 ( 2.539 2.756 -2.386) 4.443 4.156 ( 1.262 4.681 6.117) 7.805 5.443 ( 2.822 2.955 3.580) 5.433 5.627 ( -0.353 -0.569 -2.436) 2.526 5.772 ( 1.053 3.823 -1.886) 4.391 6.052 ( 1.343 -3.325 -3.156) 4.777 6.424 ( -5.593 -9.041 3.021) 11.052 7.700 ( -7.613 -6.617 -4.345) 10.983 ======================= Grid point 50 (37/288) ======================= q-point: ( 0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 4.288 5.905 -3.955) 8.301 2.868 ( 3.264 16.096 3.077) 16.709 3.187 ( -3.471 6.740 -1.743) 7.779 3.536 ( 11.229 4.366 0.392) 12.054 3.817 ( 2.907 -1.272 0.755) 3.262 4.196 ( -2.522 2.085 1.026) 3.429 5.524 ( 1.827 2.951 3.409) 4.865 5.612 ( -0.100 -0.022 -2.018) 2.021 5.812 ( 0.967 2.415 -2.496) 3.605 6.058 ( 2.384 -0.296 -2.468) 3.444 6.238 ( -8.139 -6.117 1.569) 10.302 7.546 ( -2.234 -5.878 -1.715) 6.518 ======================= Grid point 51 (38/288) ======================= q-point: ( 0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 2.849 3.006 -2.779) 4.988 3.045 ( 0.850 12.112 1.812) 12.277 3.155 ( -7.294 5.334 0.745) 9.067 3.678 ( 2.906 1.657 -1.784) 3.791 3.872 ( -1.557 2.708 -1.943) 3.679 4.163 ( 1.273 -1.879 3.415) 4.100 5.556 ( -1.850 2.043 -1.145) 2.985 5.626 ( 1.011 1.155 1.757) 2.333 5.856 ( 5.258 -1.834 -1.550) 5.780 6.044 ( -5.507 -0.106 -1.889) 5.823 6.117 ( -0.944 1.296 1.492) 2.190 7.489 ( 1.909 -5.349 -0.300) 5.688 ======================= Grid point 52 (39/288) ======================= q-point: (-0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( -0.531 0.446 -1.037) 1.247 3.039 ( -10.813 2.356 1.244) 11.137 3.161 ( -1.466 11.096 1.625) 11.310 3.696 ( -4.372 -3.202 -0.725) 5.467 3.744 ( -4.603 0.645 -7.391) 8.731 4.239 ( 2.698 0.863 5.688) 6.354 5.511 ( -3.876 0.463 -1.935) 4.357 5.654 ( 0.955 -0.124 1.540) 1.816 5.903 ( 0.235 -1.196 1.121) 1.656 6.017 ( 1.463 5.408 -2.612) 6.182 6.133 ( 1.638 -0.469 1.694) 2.403 7.500 ( 5.063 -4.152 0.310) 6.555 ======================= Grid point 53 (40/288) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -5.115 -0.808 0.306) 5.187 2.834 ( -16.063 1.210 0.925) 16.135 3.232 ( -3.447 10.513 1.790) 11.207 3.462 ( -8.653 -8.595 -4.224) 12.907 3.776 ( 4.105 0.636 -1.530) 4.427 4.228 ( -7.259 0.329 2.508) 7.687 5.440 ( -3.687 -0.157 -1.141) 3.862 5.666 ( 0.451 -0.492 0.675) 0.949 5.877 ( -4.439 2.270 1.236) 5.137 6.071 ( 1.232 1.884 -2.026) 3.028 6.219 ( 8.164 -0.617 1.039) 8.253 7.592 ( 9.280 -1.733 0.878) 9.482 ======================= Grid point 54 (41/288) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( -10.534 -0.000 0.000) 10.534 2.531 ( -20.513 -0.000 0.000) 20.513 3.198 ( -9.225 -0.000 0.000) 9.225 3.315 ( -0.817 -0.000 0.000) 0.817 3.871 ( 7.141 0.000 -0.000) 7.141 4.010 ( -18.992 -0.000 0.000) 18.992 5.382 ( -3.028 -0.000 0.000) 3.028 5.670 ( 0.402 0.000 -0.000) 0.402 5.804 ( -5.177 -0.000 0.000) 5.177 6.113 ( 3.014 0.000 -0.000) 3.014 6.364 ( 8.967 0.000 -0.000) 8.967 7.775 ( 12.605 0.000 -0.000) 12.605 ======================= Grid point 61 (42/288) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -0.000 13.865 -0.629) 13.879 2.048 ( 0.000 18.730 3.571) 19.067 2.784 ( -0.000 0.954 -3.178) 3.318 3.202 ( -0.000 10.966 -11.472) 15.870 3.485 ( 0.000 23.503 5.179) 24.067 4.090 ( 0.000 -3.697 5.652) 6.754 5.261 ( 0.000 3.228 0.436) 3.257 5.660 ( -0.000 -3.449 -1.044) 3.604 5.718 ( -0.000 0.772 -0.119) 0.782 6.046 ( -0.000 -3.791 -3.472) 5.141 6.645 ( 0.000 -10.697 2.876) 11.077 8.131 ( -0.000 -7.962 -5.114) 9.463 ======================= Grid point 62 (43/288) ======================= q-point: ( 0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -0.786 8.894 -4.114) 9.831 2.300 ( 8.329 16.980 2.608) 19.092 2.841 ( 5.976 1.911 -1.852) 6.542 3.243 ( 0.212 5.600 -8.997) 10.599 3.705 ( 1.501 12.386 0.752) 12.499 4.122 ( 0.399 6.144 9.023) 10.924 5.325 ( 3.309 3.145 1.662) 4.858 5.631 ( 0.121 -1.732 -1.162) 2.089 5.733 ( 0.571 1.619 -0.782) 1.886 6.006 ( 1.005 -4.461 -2.648) 5.284 6.540 ( -1.840 -9.095 1.912) 9.474 7.983 ( -5.991 -8.085 -4.675) 11.096 ======================= Grid point 63 (44/288) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 1.528 5.665 -5.181) 7.827 2.650 ( 10.979 16.812 3.904) 20.455 3.001 ( 11.696 1.796 -2.323) 12.060 3.276 ( 0.737 4.316 -4.208) 6.072 3.766 ( 0.309 -0.461 -0.099) 0.564 4.251 ( -0.621 11.656 5.952) 13.102 5.426 ( 3.682 2.555 3.214) 5.515 5.624 ( 0.091 0.637 -2.231) 2.322 5.771 ( 2.108 2.596 -1.413) 3.630 5.976 ( 1.682 -4.419 -2.199) 5.215 6.420 ( -3.465 -7.705 1.404) 8.564 7.766 ( -8.596 -6.910 -3.645) 11.616 ======================= Grid point 64 (45/288) ======================= q-point: ( 0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 3.756 4.173 -3.934) 6.856 2.954 ( 5.181 13.078 4.362) 14.728 3.244 ( 8.086 7.586 -6.214) 12.710 3.352 ( 10.242 0.989 3.731) 10.945 3.752 ( 1.130 -3.540 0.615) 3.766 4.311 ( -5.067 6.885 0.892) 8.594 5.509 ( 2.932 1.386 3.303) 4.629 5.620 ( -0.851 1.099 -1.757) 2.241 5.823 ( 0.331 2.657 -3.074) 4.077 5.986 ( 4.609 -1.536 -1.423) 5.062 6.283 ( -4.837 -6.541 1.075) 8.206 7.566 ( -6.624 -4.936 -1.780) 8.450 ======================= Grid point 65 (46/288) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 3.685 2.663 -2.307) 5.098 3.126 ( 2.382 8.331 2.479) 9.013 3.290 ( -3.366 3.665 -0.661) 5.019 3.630 ( 7.436 4.909 -0.475) 8.923 3.803 ( 11.194 -0.869 3.002) 11.622 4.218 ( -9.373 0.473 -1.973) 9.590 5.574 ( 1.016 1.909 -1.214) 2.480 5.620 ( 1.796 -0.149 3.081) 3.569 5.796 ( -2.095 -1.696 -3.240) 4.215 6.067 ( 3.020 2.726 -1.959) 4.515 6.162 ( -3.282 -3.146 1.668) 4.843 7.445 ( -2.400 -3.562 -0.367) 4.310 ======================= Grid point 66 (47/288) ======================= q-point: (-0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 1.698 0.944 -0.931) 2.154 3.199 ( -5.145 3.468 0.139) 6.206 3.254 ( -0.406 2.723 1.645) 3.208 3.690 ( 1.012 0.415 -0.461) 1.187 3.928 ( -12.498 4.006 -3.040) 13.472 4.133 ( 10.089 -2.714 2.601) 10.767 5.560 ( -2.321 0.316 -1.484) 2.773 5.669 ( -1.546 1.149 1.835) 2.660 5.777 ( 7.294 -3.267 -0.693) 8.022 6.083 ( -2.002 2.374 -0.640) 3.171 6.141 ( -0.425 0.528 0.421) 0.797 7.409 ( 1.551 -2.330 0.015) 2.800 ======================= Grid point 67 (48/288) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( -1.340 -0.000 0.000) 1.340 3.065 ( -10.827 -0.000 0.000) 10.827 3.299 ( 1.358 0.000 -0.000) 1.358 3.633 ( -14.276 -0.000 0.000) 14.276 3.737 ( -0.695 -0.000 0.000) 0.695 4.269 ( 3.434 0.000 -0.000) 3.434 5.501 ( -3.990 -0.000 0.000) 3.990 5.657 ( 0.165 0.000 -0.000) 0.165 5.897 ( 5.286 0.000 -0.000) 5.286 6.074 ( -0.710 -0.000 0.000) 0.710 6.130 ( 0.785 0.000 -0.000) 0.785 7.456 ( 5.545 0.000 -0.000) 5.545 ======================= Grid point 76 (49/288) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -0.000 4.079 -6.996) 8.098 2.346 ( -0.000 10.696 -1.889) 10.861 2.819 ( 0.000 3.790 1.041) 3.931 3.262 ( -0.000 4.605 -7.384) 8.703 3.768 ( 0.000 1.844 1.698) 2.507 4.259 ( 0.000 14.705 8.786) 17.129 5.325 ( 0.000 2.414 1.809) 3.016 5.615 ( -0.000 -0.416 -0.601) 0.731 5.743 ( -0.000 2.150 -1.342) 2.535 5.946 ( -0.000 -4.892 -1.228) 5.044 6.484 ( 0.000 -6.357 0.324) 6.366 7.938 ( -0.000 -8.459 -3.946) 9.334 ======================= Grid point 77 (50/288) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 0.611 1.253 -7.313) 7.445 2.545 ( 13.693 7.554 -2.334) 15.812 2.899 ( 3.658 4.271 1.884) 5.930 3.290 ( 0.644 4.010 -4.086) 5.761 3.763 ( -0.718 -2.131 1.923) 2.959 4.416 ( -1.420 13.109 5.705) 14.367 5.390 ( 3.925 1.986 2.291) 4.960 5.622 ( 0.520 1.720 -1.336) 2.239 5.762 ( 0.476 1.657 -1.020) 2.004 5.904 ( 1.030 -4.911 -0.548) 5.048 6.415 ( -2.492 -3.974 -0.311) 4.701 7.804 ( -4.963 -7.272 -3.068) 9.323 ======================= Grid point 78 (51/288) ======================= q-point: ( 0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 3.950 1.214 -4.461) 6.080 2.911 ( 20.242 7.450 -0.423) 21.573 3.024 ( 7.137 2.424 0.617) 7.563 3.329 ( 0.868 2.615 -0.972) 2.922 3.728 ( -1.066 -2.524 1.301) 3.033 4.478 ( -5.022 7.575 2.101) 9.328 5.481 ( 3.364 1.166 2.392) 4.289 5.646 ( -0.586 2.707 -2.017) 3.426 5.805 ( 3.961 1.375 -0.732) 4.256 5.887 ( 2.399 -3.651 -0.391) 4.386 6.315 ( -5.020 -3.260 -0.365) 5.996 7.634 ( -6.834 -4.492 -1.660) 8.345 ======================= Grid point 79 (52/288) ======================= q-point: ( 0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 4.956 1.063 -1.671) 5.337 3.134 ( 4.336 3.707 1.439) 5.883 3.341 ( 2.889 4.480 -4.912) 7.249 3.389 ( 21.739 0.314 4.463) 22.194 3.695 ( -0.301 -2.177 0.728) 2.316 4.405 ( -9.748 2.501 -0.270) 10.068 5.544 ( 3.058 0.778 1.012) 3.314 5.630 ( -2.062 0.257 -0.267) 2.095 5.832 ( -2.441 0.415 -1.722) 3.016 5.974 ( 9.111 0.181 -0.018) 9.112 6.197 ( -4.844 -2.424 0.079) 5.417 7.492 ( -5.772 -1.807 -0.418) 6.063 ======================= Grid point 80 (53/288) ======================= q-point: (-0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 3.704 0.000 -0.000) 3.704 3.223 ( 3.440 0.000 -0.000) 3.440 3.312 ( -4.072 -0.000 0.000) 4.072 3.680 ( 0.303 0.000 -0.000) 0.303 3.817 ( 22.191 0.000 -0.000) 22.191 4.209 ( -14.241 -0.000 0.000) 14.241 5.594 ( -1.918 -0.000 0.000) 1.918 5.626 ( 6.175 0.000 -0.000) 6.175 5.757 ( -5.311 -0.000 0.000) 5.311 6.107 ( 5.197 0.000 -0.000) 5.197 6.125 ( -2.401 -0.000 0.000) 2.401 7.409 ( -2.725 -0.000 0.000) 2.725 ======================= Grid point 92 (54/288) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -0.000 -1.541 -7.423) 7.581 2.451 ( -0.000 3.171 -3.147) 4.468 2.924 ( 0.000 4.492 2.330) 5.061 3.309 ( -0.000 3.207 -2.338) 3.969 3.754 ( 0.000 -2.336 1.937) 3.034 4.560 ( 0.000 9.596 4.108) 10.439 5.373 ( 0.000 1.206 1.619) 2.018 5.637 ( -0.000 2.970 -0.889) 3.101 5.776 ( -0.000 1.844 -1.284) 2.247 5.841 ( 0.000 -5.773 0.862) 5.837 6.415 ( -0.000 -0.854 -0.746) 1.134 7.769 ( -0.000 -6.200 -2.313) 6.618 ======================= Grid point 93 (55/288) ======================= q-point: ( 0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 3.092 -0.707 -3.642) 4.830 2.602 ( 15.646 1.320 -1.755) 15.799 2.992 ( 2.966 2.664 1.356) 4.211 3.334 ( 0.624 1.684 -0.809) 1.970 3.732 ( -0.929 -1.382 0.989) 1.937 4.615 ( -2.969 4.511 1.730) 5.671 5.427 ( 4.238 0.643 1.042) 4.411 5.675 ( 0.709 4.516 -1.820) 4.920 5.756 ( -0.622 -3.476 1.381) 3.791 5.829 ( 2.179 -1.347 -0.413) 2.595 6.377 ( -3.838 -0.237 -0.490) 3.877 7.682 ( -3.792 -3.180 -1.111) 5.072 ======================= Grid point 94 (56/288) ======================= q-point: (-0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 5.346 0.000 -0.000) 5.346 2.957 ( 24.737 0.000 -0.000) 24.737 3.075 ( 4.804 0.000 -0.000) 4.804 3.353 ( 0.620 0.000 -0.000) 0.620 3.706 ( -1.412 -0.000 0.000) 1.412 4.558 ( -6.560 -0.000 0.000) 6.560 5.501 ( 3.282 0.000 -0.000) 3.282 5.675 ( -2.803 -0.000 0.000) 2.803 5.808 ( 8.709 0.000 -0.000) 8.709 5.849 ( 0.547 0.000 -0.000) 0.547 6.284 ( -6.286 -0.000 0.000) 6.286 7.583 ( -5.835 -0.000 0.000) 5.835 ======================= Grid point 109 (57/288) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 0.000 0.000 0.000) 0.000 2.467 ( 0.000 0.000 0.000) 0.000 2.981 ( 0.000 0.000 0.000) 0.000 3.336 ( 0.000 0.000 0.000) 0.000 3.735 ( 0.000 0.000 0.000) 0.000 4.666 ( 0.000 0.000 0.000) 0.000 5.390 ( 0.000 0.000 0.000) 0.000 5.689 ( 0.000 -0.000 0.000) 0.000 5.761 ( 0.000 0.000 0.000) 0.000 5.791 ( 0.000 0.000 0.000) 0.000 6.412 ( 0.000 0.000 0.000) 0.000 7.696 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 218 (58/288) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.245 ( 0.000 -0.000 24.713) 24.713 0.245 ( 0.000 -0.000 24.713) 24.713 0.394 ( 0.000 -0.000 39.746) 39.746 2.842 ( -0.000 0.000 -2.059) 2.059 2.842 ( -0.000 0.000 -2.059) 2.059 5.035 ( -0.000 0.000 -7.643) 7.643 5.133 ( -0.000 0.000 -0.604) 0.604 5.133 ( -0.000 0.000 -0.604) 0.604 5.776 ( 0.000 -0.000 0.688) 0.688 5.776 ( 0.000 -0.000 0.688) 0.688 7.186 ( 0.000 -0.000 4.340) 4.340 8.135 ( -0.000 0.000 -1.082) 1.082 ======================= Grid point 219 (59/288) ======================= q-point: ( 0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 17.036 9.836 9.535) 21.861 0.543 ( 15.613 9.014 13.427) 22.479 1.113 ( 36.414 21.024 18.627) 45.989 2.853 ( 1.080 0.624 -1.653) 2.071 2.875 ( 4.151 2.397 -3.517) 5.945 4.471 ( -5.328 -3.076 0.967) 6.228 5.154 ( 1.626 0.939 0.028) 1.878 5.755 ( -1.734 -1.001 0.352) 2.033 5.789 ( 1.430 0.826 0.023) 1.651 6.243 ( 12.180 7.032 -26.476) 29.979 7.162 ( -4.335 -2.503 6.723) 8.382 8.389 ( 4.706 2.717 -19.264) 20.016 ======================= Grid point 220 (60/288) ======================= q-point: ( 0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 19.992 11.542 3.203) 23.306 0.955 ( 17.839 10.299 3.810) 20.948 1.972 ( 35.255 20.354 9.298) 41.757 2.878 ( 1.420 0.820 -1.124) 1.988 2.999 ( 7.765 4.483 -3.034) 9.466 4.374 ( -3.835 -2.214 -1.632) 4.719 5.204 ( 2.663 1.538 0.629) 3.139 5.707 ( -2.329 -1.345 -0.092) 2.691 5.810 ( -0.164 -0.095 0.373) 0.418 6.292 ( 0.833 0.481 -9.125) 9.176 7.046 ( -7.868 -4.543 8.277) 12.290 8.312 ( -4.920 -2.841 -14.818) 15.870 ======================= Grid point 221 (61/288) ======================= q-point: ( 0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 17.048 9.842 -2.219) 19.810 1.411 ( 20.034 11.566 0.366) 23.136 2.716 ( 28.691 16.565 -1.111) 33.148 2.907 ( 1.339 0.773 -0.416) 1.601 3.205 ( 10.987 6.343 2.099) 12.859 4.286 ( -3.811 -2.200 1.108) 4.538 5.271 ( 2.719 1.570 1.346) 3.416 5.663 ( -1.119 -0.646 -0.795) 1.517 5.774 ( -2.810 -1.622 -0.189) 3.250 6.263 ( -1.747 -1.009 -3.030) 3.640 6.877 ( -9.522 -5.498 8.781) 14.071 8.112 ( -7.928 -4.577 -14.382) 17.048 ======================= Grid point 222 (62/288) ======================= q-point: ( 0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 14.955 8.635 -6.296) 18.381 1.840 ( 18.054 10.424 -1.443) 20.897 2.932 ( 0.804 0.464 0.508) 1.058 3.201 ( 16.490 9.521 -9.274) 21.179 3.516 ( 14.206 8.202 6.224) 17.544 4.218 ( -3.164 -1.827 6.403) 7.372 5.320 ( 0.918 0.530 1.997) 2.261 5.668 ( 2.071 1.196 -1.502) 2.824 5.708 ( -2.427 -1.401 -0.092) 2.804 6.186 ( -4.382 -2.530 -1.345) 5.236 6.674 ( -10.998 -6.350 5.990) 14.042 7.900 ( -6.361 -3.673 -11.617) 13.744 ======================= Grid point 223 (63/288) ======================= q-point: ( 0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 11.946 6.897 -7.907) 15.899 2.198 ( 14.303 8.258 -2.658) 16.729 2.943 ( -0.212 -0.122 1.544) 1.563 3.469 ( 10.761 6.213 -6.909) 14.218 3.773 ( 6.618 3.821 1.002) 7.707 4.192 ( -1.848 -1.067 10.545) 10.759 5.328 ( -0.555 -0.320 1.886) 1.992 5.680 ( -0.055 -0.032 -0.651) 0.654 5.736 ( 3.978 2.297 -1.462) 4.820 6.081 ( -4.445 -2.567 2.254) 5.606 6.427 ( -11.010 -6.356 -1.370) 12.786 7.768 ( -2.938 -1.696 -6.024) 6.913 ======================= Grid point 224 (64/288) ======================= q-point: ( 0.50 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 7.943 4.586 -6.672) 11.341 2.455 ( 9.209 5.317 -3.049) 11.062 2.929 ( -1.554 -0.897 2.236) 2.867 3.641 ( 6.344 3.663 -7.326) 10.360 3.850 ( 1.020 0.589 0.714) 1.377 4.178 ( -2.705 -1.562 10.215) 10.682 5.318 ( -0.671 -0.388 1.366) 1.571 5.690 ( 1.361 0.786 -2.506) 2.958 5.814 ( 2.941 1.698 -1.023) 3.547 5.997 ( -5.573 -3.218 6.900) 9.435 6.233 ( -3.464 -2.000 -5.660) 6.930 7.716 ( -0.821 -0.474 -2.007) 2.220 ======================= Grid point 225 (65/288) ======================= q-point: (-0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 2.551 1.473 -2.962) 4.177 2.578 ( 1.921 1.109 -1.386) 2.615 2.895 ( -1.595 -0.921 1.131) 2.162 3.718 ( 3.533 2.040 -7.028) 8.126 3.820 ( -3.679 -2.124 -4.126) 5.922 4.161 ( -1.741 -1.005 11.396) 11.572 5.309 ( -0.406 -0.235 0.760) 0.893 5.733 ( 2.788 1.610 -0.696) 3.294 5.850 ( 0.313 0.181 -0.524) 0.636 5.872 ( -4.886 -2.821 -1.067) 5.742 6.236 ( 2.714 1.567 1.807) 3.617 7.712 ( 0.864 0.499 -0.012) 0.997 ======================= Grid point 226 (66/288) ======================= q-point: (-0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -4.052 -2.339 1.610) 4.948 2.512 ( -7.764 -4.482 2.366) 9.272 2.884 ( 0.674 0.389 -2.011) 2.156 3.681 ( -6.464 -3.732 -4.936) 8.948 3.787 ( 4.732 2.732 -5.162) 7.517 4.128 ( -5.336 -3.081 6.843) 9.208 5.304 ( -0.157 -0.091 0.063) 0.192 5.722 ( -3.390 -1.957 0.033) 3.914 5.825 ( -2.298 -1.327 0.028) 2.653 5.885 ( 6.346 3.664 -3.799) 8.254 6.326 ( 4.300 2.482 3.738) 6.215 7.763 ( 3.544 2.046 2.454) 4.772 ======================= Grid point 227 (67/288) ======================= q-point: (-0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -10.616 -6.129 4.715) 13.134 2.268 ( -14.538 -8.394 4.037) 17.266 2.895 ( 0.790 0.456 -3.110) 3.241 3.520 ( -6.758 -3.902 -1.886) 8.028 3.849 ( -7.844 -4.529 8.208) 12.224 3.967 ( -0.893 -0.516 -11.012) 11.060 5.300 ( -0.235 -0.136 -0.790) 0.835 5.670 ( -0.423 -0.244 -1.481) 1.560 5.759 ( -3.367 -1.944 0.694) 3.949 6.035 ( 7.070 4.082 -2.347) 8.494 6.450 ( 6.019 3.475 1.014) 7.023 7.894 ( 6.888 3.977 5.837) 9.866 ======================= Grid point 228 (68/288) ======================= q-point: (-0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -15.911 -9.186 5.774) 19.259 1.903 ( -18.929 -10.929 4.675) 22.352 2.895 ( 0.123 0.071 -3.105) 3.108 3.345 ( -13.957 -8.058 3.746) 16.546 3.426 ( -20.322 -11.733 -1.998) 23.551 4.083 ( 8.010 4.625 -5.955) 11.000 5.281 ( -1.197 -0.691 -1.675) 2.172 5.697 ( 2.942 1.699 -1.091) 3.568 5.698 ( -1.944 -1.122 1.375) 2.632 6.165 ( 5.220 3.014 -3.246) 6.846 6.603 ( 7.624 4.402 -0.959) 8.856 8.098 ( 8.923 5.152 7.337) 12.649 ======================= Grid point 229 (69/288) ======================= q-point: (-0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -19.484 -11.249 5.932) 23.267 1.465 ( -21.301 -12.298 5.507) 25.205 2.686 ( -35.120 -20.277 -1.722) 40.590 2.882 ( -0.377 -0.218 -2.883) 2.916 3.214 ( -7.664 -4.425 1.027) 8.909 4.241 ( 7.035 4.062 -2.814) 8.597 5.235 ( -2.258 -1.303 -2.044) 3.313 5.689 ( 0.586 0.338 1.593) 1.731 5.767 ( 2.854 1.648 -0.882) 3.411 6.255 ( 4.252 2.455 -3.956) 6.305 6.784 ( 8.548 4.935 -0.371) 9.878 8.317 ( 8.210 4.740 5.367) 10.893 ======================= Grid point 230 (70/288) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -21.859 -12.620 7.418) 26.308 1.004 ( -21.349 -12.326 6.515) 25.498 1.836 ( -39.478 -22.793 -1.948) 45.627 2.862 ( -0.480 -0.277 -2.641) 2.699 3.047 ( -7.289 -4.208 0.892) 8.464 4.370 ( 4.970 2.870 -1.587) 5.955 5.178 ( -1.979 -1.142 -1.801) 2.909 5.723 ( 1.718 0.992 1.355) 2.403 5.799 ( 0.188 0.108 -0.764) 0.794 6.341 ( 4.555 2.630 -5.211) 7.404 6.972 ( 7.710 4.451 1.667) 9.058 8.482 ( 5.338 3.082 0.317) 6.172 ======================= Grid point 233 (71/288) ======================= q-point: ( 0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 0.000 22.866 11.313) 25.512 0.697 ( 0.000 20.270 16.926) 26.408 1.084 ( 0.000 36.079 20.836) 41.664 2.814 ( -0.000 -0.230 -4.138) 4.144 2.894 ( -0.000 5.990 -2.488) 6.486 4.465 ( 0.000 -8.318 0.269) 8.322 5.127 ( -0.000 0.685 -1.481) 1.632 5.774 ( 0.000 -1.177 1.394) 1.825 5.779 ( -0.000 1.189 -0.762) 1.412 6.133 ( -0.000 17.090 -27.669) 32.522 7.184 ( 0.000 -5.097 7.394) 8.980 8.360 ( -0.000 9.297 -17.419) 19.745 ======================= Grid point 234 (72/288) ======================= q-point: ( 0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 2.989 18.945 14.545) 24.071 0.981 ( 6.038 25.106 5.047) 26.310 1.742 ( 23.918 31.549 11.614) 41.259 2.833 ( 3.578 0.209 -3.683) 5.139 2.965 ( 1.934 7.462 -2.772) 8.192 4.377 ( -1.650 -5.127 -2.831) 6.085 5.165 ( 3.169 0.953 -0.783) 3.400 5.737 ( -2.362 -1.144 0.695) 2.715 5.801 ( 0.963 -0.263 0.153) 1.010 6.209 ( 4.316 2.138 -14.525) 15.302 7.113 ( -3.836 -7.789 8.529) 12.171 8.331 ( -4.069 1.159 -14.618) 15.218 ======================= Grid point 235 (73/288) ======================= q-point: ( 0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 9.146 16.448 7.040) 20.093 1.360 ( 9.624 23.104 1.482) 25.072 2.456 ( 24.372 24.285 1.022) 34.421 2.896 ( 2.776 2.611 -1.792) 4.212 3.106 ( 7.821 7.165 0.350) 10.612 4.296 ( -1.485 -4.435 -1.355) 4.869 5.236 ( 3.712 1.723 0.175) 4.096 5.688 ( -2.397 -0.570 0.040) 2.464 5.788 ( -1.140 -2.300 -0.314) 2.586 6.231 ( 2.152 -1.578 -6.256) 6.801 6.972 ( -6.318 -9.017 9.353) 14.446 8.164 ( -8.399 -2.730 -14.122) 16.656 ======================= Grid point 236 (74/288) ======================= q-point: ( 0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 10.751 13.165 -0.965) 17.024 1.754 ( 11.021 20.856 0.484) 23.593 2.936 ( 4.195 4.713 -2.343) 6.731 3.000 ( 13.821 13.262 -7.834) 20.695 3.388 ( 13.713 9.433 6.827) 17.989 4.237 ( -0.806 -3.993 3.092) 5.115 5.314 ( 2.570 2.227 1.288) 3.636 5.659 ( -0.500 0.755 -0.917) 1.289 5.729 ( -2.223 -2.434 -0.554) 3.343 6.202 ( -1.254 -3.039 -3.394) 4.725 6.791 ( -8.474 -9.303 8.586) 15.234 7.939 ( -8.099 -3.943 -12.751) 15.612 ======================= Grid point 237 (75/288) ======================= q-point: ( 0.43 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 10.425 9.995 -5.813) 15.568 2.123 ( 9.729 18.272 -0.469) 20.706 2.976 ( -0.973 3.718 -0.134) 3.845 3.314 ( 12.777 8.108 -7.733) 16.994 3.696 ( 9.194 6.645 2.722) 11.666 4.217 ( 0.267 -2.971 8.080) 8.613 5.363 ( -0.403 2.783 2.123) 3.523 5.667 ( 0.268 -1.457 -1.637) 2.208 5.703 ( 1.632 2.099 -0.606) 2.727 6.124 ( -2.811 -2.503 -1.612) 4.095 6.551 ( -11.691 -9.030 3.226) 15.120 7.767 ( -3.503 -3.737 -7.733) 9.276 ======================= Grid point 238 (76/288) ======================= q-point: ( 0.50 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 8.856 7.005 -7.126) 13.352 2.420 ( 6.245 15.425 -1.503) 16.708 2.981 ( -2.519 2.864 1.181) 3.993 3.539 ( 8.366 5.733 -6.789) 12.205 3.831 ( 2.664 1.449 0.845) 3.148 4.222 ( -0.641 -2.533 9.412) 9.768 5.375 ( -2.584 3.927 1.971) 5.098 5.654 ( 1.107 -1.513 -2.388) 3.036 5.779 ( 3.641 2.808 -0.569) 4.633 6.077 ( -1.910 -0.284 3.941) 4.389 6.273 ( -9.973 -7.194 -4.221) 13.001 7.691 ( 0.185 -3.458 -2.876) 4.501 ======================= Grid point 239 (77/288) ======================= q-point: ( 0.57 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 5.676 3.765 -5.669) 8.862 2.614 ( 1.120 12.429 -1.737) 12.600 2.952 ( -3.970 1.602 1.962) 4.710 3.655 ( 3.692 3.205 -7.876) 9.271 3.838 ( -1.910 -1.569 -2.031) 3.199 4.216 ( -0.994 -1.544 11.433) 11.580 5.370 ( -3.424 4.461 1.309) 5.774 5.669 ( 3.229 -0.901 -1.780) 3.796 5.855 ( 1.827 3.042 -0.754) 3.628 5.971 ( -9.431 -2.718 1.063) 9.872 6.179 ( 4.094 -1.412 -0.321) 4.342 7.673 ( 2.006 -3.046 -0.723) 3.718 ======================= Grid point 240 (78/288) ======================= q-point: (-0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 0.562 -0.069 -2.282) 2.351 2.661 ( -7.736 6.940 0.841) 10.427 2.913 ( -2.430 2.648 -0.053) 3.595 3.695 ( 0.066 0.523 -11.931) 11.942 3.744 ( -1.772 -2.248 -0.352) 2.884 4.218 ( -3.392 -0.972 10.792) 11.354 5.356 ( -3.346 3.937 0.517) 5.193 5.722 ( 2.901 -2.033 1.316) 3.779 5.813 ( -4.270 -1.188 -3.443) 5.613 5.904 ( -0.313 5.066 -1.571) 5.313 6.264 ( 5.647 -0.757 3.547) 6.711 7.700 ( 4.440 -1.982 0.825) 4.932 ======================= Grid point 241 (79/288) ======================= q-point: (-0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -6.072 -3.930 1.397) 7.367 2.496 ( -15.655 0.182 3.314) 16.002 2.921 ( -1.545 5.202 -2.363) 5.919 3.563 ( -5.068 -4.884 -5.415) 8.880 3.812 ( 6.200 2.829 -4.210) 8.011 4.099 ( -12.368 -4.153 6.154) 14.425 5.337 ( -2.793 2.661 -0.233) 3.865 5.684 ( -2.287 -0.985 -0.967) 2.671 5.779 ( -1.063 -1.671 0.023) 1.980 5.981 ( 3.879 6.131 -2.360) 7.630 6.371 ( 6.343 0.203 2.144) 6.698 7.800 ( 8.109 -0.182 3.296) 8.755 ======================= Grid point 242 (80/288) ======================= q-point: (-0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -13.216 -7.269 3.855) 15.568 2.190 ( -19.912 -2.659 3.527) 20.396 2.929 ( -2.534 4.948 -2.996) 6.315 3.419 ( -4.952 -5.333 -1.641) 7.460 3.739 ( -24.524 -8.486 3.184) 26.145 3.958 ( 8.743 3.388 -4.957) 10.606 5.311 ( -2.491 1.272 -0.857) 2.926 5.670 ( 1.111 1.108 -1.185) 1.966 5.730 ( -2.582 -1.031 0.916) 2.928 6.103 ( 4.845 4.111 -2.902) 6.986 6.500 ( 7.804 1.475 0.271) 7.947 7.984 ( 10.896 1.410 4.749) 11.970 ======================= Grid point 243 (81/288) ======================= q-point: (-0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -19.396 -10.016 5.006) 22.396 1.820 ( -22.233 -2.526 3.384) 22.631 2.912 ( -3.087 3.345 -3.404) 5.684 3.130 ( -33.297 -10.526 0.747) 34.929 3.293 ( -7.259 -4.555 -0.411) 8.580 4.129 ( 8.873 2.936 -2.358) 9.639 5.268 ( -3.037 0.253 -1.288) 3.308 5.696 ( -0.766 0.021 1.028) 1.282 5.724 ( 3.301 1.316 -0.778) 3.638 6.196 ( 3.917 2.617 -3.765) 6.030 6.666 ( 9.484 2.313 0.720) 9.789 8.201 ( 10.968 1.454 2.991) 11.461 ======================= Grid point 244 (82/288) ======================= q-point: (-0.07 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -22.004 -9.910 6.038) 24.877 1.412 ( -24.685 -2.569 2.927) 24.990 2.388 ( -41.558 -7.850 0.650) 42.297 2.887 ( -2.612 2.182 -2.443) 4.190 3.138 ( -7.284 -3.282 -0.283) 7.994 4.284 ( 7.177 1.966 -1.352) 7.563 5.213 ( -3.123 0.302 -1.157) 3.344 5.705 ( 1.220 -0.028 0.921) 1.529 5.782 ( 2.176 0.620 -0.627) 2.348 6.273 ( 4.089 2.336 -4.604) 6.586 6.859 ( 9.952 1.955 2.795) 10.520 8.378 ( 8.563 -0.195 -1.844) 8.762 ======================= Grid point 248 (83/288) ======================= q-point: ( 0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 0.000 22.227 8.236) 23.704 1.201 ( 0.000 21.579 11.772) 24.581 1.930 ( 0.000 39.544 9.768) 40.732 2.781 ( -0.000 0.134 -5.227) 5.229 3.024 ( -0.000 8.650 -2.856) 9.110 4.322 ( -0.000 -5.954 -3.326) 6.821 5.144 ( -0.000 2.151 -1.455) 2.597 5.752 ( 0.000 -1.867 1.443) 2.360 5.782 ( -0.000 -0.816 -0.802) 1.144 6.144 ( -0.000 1.524 -12.228) 12.323 7.083 ( 0.000 -10.424 8.290) 13.319 8.338 ( -0.000 0.092 -12.804) 12.805 ======================= Grid point 249 (84/288) ======================= q-point: ( 0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 0.451 20.004 8.437) 21.716 1.488 ( 4.663 22.920 5.919) 24.127 2.430 ( 10.983 32.776 1.237) 34.589 2.826 ( 6.274 2.138 -3.320) 7.413 3.110 ( 1.599 8.838 -1.154) 9.055 4.254 ( -0.256 -5.529 -1.896) 5.851 5.193 ( 3.147 2.626 -0.657) 4.151 5.719 ( -1.882 -1.146 0.436) 2.246 5.769 ( 0.139 -2.836 -0.607) 2.903 6.144 ( 2.900 -1.206 -7.195) 7.851 6.975 ( -2.802 -11.844 8.148) 14.647 8.231 ( -6.399 -2.376 -11.983) 13.791 ======================= Grid point 250 (85/288) ======================= q-point: ( 0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 2.602 16.664 2.886) 17.111 1.832 ( 7.391 23.086 4.178) 24.598 2.829 ( 10.984 12.966 -7.194) 18.453 2.987 ( 4.497 10.041 -5.427) 12.267 3.306 ( 9.977 12.471 6.240) 17.147 4.202 ( 0.332 -4.902 1.749) 5.215 5.285 ( 4.035 3.214 0.641) 5.198 5.680 ( -1.567 -0.524 -0.726) 1.805 5.730 ( -0.976 -2.410 -0.600) 2.669 6.148 ( 1.883 -3.362 -4.434) 5.874 6.823 ( -4.512 -11.989 8.062) 15.136 8.018 ( -9.863 -3.813 -11.368) 15.526 ======================= Grid point 251 (86/288) ======================= q-point: ( 0.43 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 4.787 12.650 -2.464) 13.748 2.194 ( 7.149 22.497 3.355) 23.842 3.018 ( 2.350 5.402 -2.691) 6.476 3.166 ( 10.644 9.392 -7.279) 15.953 3.625 ( 9.306 10.381 2.289) 14.128 4.189 ( 1.591 -3.421 6.082) 7.157 5.383 ( 2.712 3.793 2.141) 5.130 5.648 ( -0.612 -1.743 -1.822) 2.595 5.710 ( -0.160 1.698 -0.772) 1.872 6.110 ( -0.260 -3.706 -3.782) 5.302 6.636 ( -7.548 -11.122 5.895) 14.677 7.789 ( -7.519 -4.398 -8.427) 12.120 ======================= Grid point 252 (87/288) ======================= q-point: ( 0.50 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 6.048 9.295 -4.955) 12.146 2.513 ( 4.505 20.494 2.137) 21.092 3.062 ( -1.731 5.438 -1.377) 5.871 3.423 ( 10.910 7.157 -4.161) 13.695 3.797 ( 3.880 2.995 -0.415) 4.919 4.214 ( 1.294 -2.346 6.928) 7.428 5.456 ( -0.094 4.811 2.868) 5.601 5.619 ( 0.113 -1.623 -2.454) 2.945 5.751 ( 2.321 2.980 -0.923) 3.888 6.071 ( 0.779 -1.680 -2.281) 2.938 6.388 ( -11.483 -8.719 1.433) 14.489 7.646 ( -1.835 -4.901 -3.699) 6.409 ======================= Grid point 253 (88/288) ======================= q-point: ( 0.57 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 5.393 6.164 -5.256) 9.732 2.750 ( 0.930 17.750 1.011) 17.803 3.060 ( -4.317 4.494 0.687) 6.269 3.603 ( 4.893 4.891 -5.391) 8.771 3.843 ( -0.077 0.113 -1.225) 1.233 4.225 ( 1.055 -2.848 7.750) 8.324 5.487 ( -3.112 5.217 1.704) 6.310 5.614 ( 1.654 -0.384 -1.766) 2.449 5.831 ( 4.032 2.653 -0.445) 4.847 6.092 ( 2.957 -2.102 -2.438) 4.371 6.123 ( -11.120 -3.572 1.288) 11.750 7.593 ( 1.804 -5.171 -0.995) 5.566 ======================= Grid point 254 (89/288) ======================= q-point: (-0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 2.588 2.694 -3.991) 5.466 2.889 ( -4.918 15.062 1.108) 15.883 3.008 ( -5.446 2.763 1.517) 6.292 3.667 ( 1.227 3.206 -7.547) 8.291 3.767 ( -4.996 -3.540 -3.401) 7.004 4.265 ( 1.347 -0.896 9.775) 9.908 5.468 ( -4.298 3.749 0.075) 5.704 5.657 ( 3.132 0.299 0.557) 3.196 5.903 ( -5.051 2.128 -2.300) 5.944 5.932 ( -0.365 0.619 -1.521) 1.683 6.161 ( 5.102 -1.630 2.858) 6.071 7.592 ( 4.143 -4.744 -0.055) 6.299 ======================= Grid point 255 (90/288) ======================= q-point: (-0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -2.216 -0.848 -1.766) 2.958 2.799 ( -15.350 4.020 3.390) 16.226 3.023 ( -2.452 9.695 -0.522) 10.014 3.577 ( -5.725 -4.805 -7.999) 10.947 3.739 ( 3.504 1.566 -2.338) 4.493 4.256 ( -5.946 -1.433 7.480) 9.662 5.423 ( -4.099 1.963 -0.448) 4.567 5.691 ( 0.518 -1.747 0.774) 1.980 5.817 ( -4.065 3.285 -0.547) 5.256 5.988 ( 1.526 4.740 -3.071) 5.851 6.255 ( 7.017 -2.010 2.735) 7.794 7.652 ( 7.784 -3.372 1.099) 8.553 ======================= Grid point 256 (91/288) ======================= q-point: (-0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -8.479 -3.526 0.263) 9.187 2.530 ( -19.851 0.488 3.036) 20.088 3.053 ( -4.890 9.208 -1.357) 10.513 3.421 ( -3.573 -6.465 -3.873) 8.341 3.838 ( 6.585 2.474 -3.793) 7.992 4.056 ( -17.327 -3.717 5.206) 18.471 5.373 ( -3.317 1.020 -0.146) 3.474 5.672 ( -0.516 -0.137 -0.566) 0.778 5.783 ( -3.754 1.567 0.506) 4.099 6.065 ( 3.410 4.036 -2.806) 5.983 6.373 ( 7.936 -0.650 1.198) 8.052 7.799 ( 11.686 -1.664 1.792) 11.939 ======================= Grid point 257 (92/288) ======================= q-point: (-0.14 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -15.773 -4.649 1.390) 16.502 2.181 ( -21.872 -0.942 2.018) 21.985 3.026 ( -6.106 5.672 -2.239) 8.630 3.303 ( -3.691 -4.623 -1.758) 6.172 3.622 ( -27.788 -3.698 -0.265) 28.034 4.002 ( 8.276 2.216 1.359) 8.675 5.327 ( -3.326 0.718 0.125) 3.404 5.683 ( 1.825 0.610 -1.003) 2.170 5.732 ( -2.936 0.154 0.469) 2.977 6.148 ( 3.640 2.500 -2.588) 5.119 6.523 ( 9.428 0.494 1.455) 9.552 8.001 ( 12.946 -1.254 -0.114) 13.007 ======================= Grid point 258 (93/288) ======================= q-point: (-0.07 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -21.328 -2.938 1.988) 21.621 1.796 ( -23.101 -1.855 0.306) 23.177 2.945 ( -11.523 2.523 -4.263) 12.543 3.028 ( -26.386 -1.409 1.357) 26.458 3.238 ( -8.800 0.275 0.558) 8.822 4.168 ( 8.231 1.525 1.172) 8.453 5.276 ( -3.609 0.869 0.244) 3.721 5.694 ( -0.466 -0.763 -0.460) 1.006 5.737 ( 3.201 0.400 -0.136) 3.229 6.220 ( 3.478 1.817 -2.318) 4.558 6.705 ( 10.582 0.270 3.417) 11.124 8.183 ( 11.255 -2.618 -4.666) 12.463 ======================= Grid point 263 (94/288) ======================= q-point: ( 0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 0.000 18.465 4.149) 18.925 1.676 ( 0.000 20.651 6.803) 21.743 2.698 ( -0.000 34.290 -1.619) 34.328 2.756 ( -0.000 0.720 -4.547) 4.604 3.188 ( -0.000 10.356 0.469) 10.366 4.198 ( 0.000 -5.226 -0.065) 5.226 5.193 ( -0.000 3.516 -0.427) 3.542 5.726 ( 0.000 -1.352 0.671) 1.509 5.730 ( -0.000 -3.574 -1.235) 3.781 6.086 ( -0.000 -1.406 -5.285) 5.469 6.898 ( 0.000 -13.224 6.690) 14.820 8.222 ( -0.000 -3.746 -10.527) 11.173 ======================= Grid point 264 (95/288) ======================= q-point: ( 0.36 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -0.532 14.829 0.702) 14.856 1.945 ( 6.186 20.287 4.925) 21.774 2.782 ( 4.082 4.590 -4.140) 7.408 3.006 ( 4.179 16.891 -10.402) 20.272 3.357 ( 3.890 17.582 6.561) 19.166 4.159 ( 0.227 -3.872 3.327) 5.110 5.258 ( 3.182 3.916 0.643) 5.087 5.681 ( -0.875 -3.167 -1.034) 3.445 5.719 ( 0.072 -0.698 -0.228) 0.738 6.069 ( 1.665 -2.937 -3.611) 4.943 6.773 ( -1.780 -13.172 5.716) 14.469 8.088 ( -6.633 -4.814 -9.586) 12.612 ======================= Grid point 265 (96/288) ======================= q-point: ( 0.43 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 0.861 10.989 -2.827) 11.379 2.295 ( 8.753 20.856 5.075) 23.181 2.936 ( 9.613 4.142 -3.140) 10.928 3.134 ( 2.534 8.903 -8.165) 12.343 3.627 ( 4.933 14.021 1.812) 14.973 4.162 ( 1.034 -0.485 6.583) 6.681 5.368 ( 4.216 4.176 2.195) 6.327 5.635 ( -0.775 -2.267 -1.584) 2.872 5.723 ( 0.338 1.486 -1.065) 1.860 6.048 ( 1.174 -4.015 -3.253) 5.299 6.626 ( -3.182 -12.233 4.800) 13.521 7.868 ( -9.484 -5.037 -7.823) 13.286 ======================= Grid point 266 (97/288) ======================= q-point: ( 0.50 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 3.307 8.575 -3.938) 9.999 2.642 ( 6.070 20.026 5.048) 21.526 3.101 ( 4.200 5.576 -4.747) 8.442 3.290 ( 10.255 6.291 -1.040) 12.076 3.767 ( 2.538 3.300 -1.219) 4.338 4.212 ( 0.200 2.251 5.282) 5.745 5.479 ( 3.060 3.522 3.733) 5.975 5.603 ( -0.491 -0.754 -2.440) 2.600 5.753 ( 0.880 3.166 -1.966) 3.830 6.021 ( 1.352 -2.774 -3.026) 4.322 6.453 ( -6.048 -10.256 2.762) 12.223 7.656 ( -6.703 -4.904 -4.415) 9.406 ======================= Grid point 267 (98/288) ======================= q-point: ( 0.57 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 4.202 6.569 -3.749) 8.652 2.903 ( 2.216 16.241 4.106) 16.898 3.168 ( -1.507 6.795 -2.198) 7.299 3.532 ( 9.157 5.653 -1.014) 10.810 3.821 ( 3.274 0.266 -0.025) 3.285 4.213 ( -1.946 -1.088 2.338) 3.230 5.548 ( 0.436 1.318 1.001) 1.712 5.602 ( 0.785 2.169 0.355) 2.334 5.789 ( 1.702 1.403 -2.067) 3.023 6.031 ( 2.260 -0.181 -2.890) 3.673 6.252 ( -8.278 -5.859 1.434) 10.242 7.531 ( -1.505 -5.066 -1.310) 5.444 ======================= Grid point 268 (99/288) ======================= q-point: ( 0.64 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 2.948 4.149 -3.158) 5.990 3.067 ( 0.054 11.663 2.666) 11.964 3.164 ( -6.196 5.913 1.118) 8.637 3.655 ( 2.256 3.183 -2.936) 4.883 3.838 ( -5.422 2.063 -4.349) 7.251 4.211 ( 4.930 -3.398 5.804) 8.339 5.542 ( -1.732 0.840 -1.353) 2.352 5.645 ( 0.175 2.407 1.685) 2.944 5.843 ( 6.051 -2.091 -1.107) 6.497 6.022 ( -4.106 1.334 -2.401) 4.940 6.133 ( -1.806 0.318 1.824) 2.587 7.486 ( 2.103 -5.099 -0.195) 5.519 ======================= Grid point 269 (100/288) ======================= q-point: (-0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( -0.125 1.546 -2.298) 2.772 3.054 ( -9.961 1.509 1.824) 10.239 3.184 ( -2.273 11.516 2.933) 12.099 3.654 ( -11.417 -0.931 -7.710) 13.808 3.703 ( 1.772 0.793 -0.984) 2.176 4.294 ( 2.733 -1.593 5.313) 6.183 5.497 ( -3.667 0.388 -0.724) 3.758 5.664 ( 0.809 -0.457 0.473) 1.043 5.910 ( 1.351 -0.573 0.088) 1.470 5.993 ( -0.751 5.987 -2.193) 6.420 6.150 ( 2.886 -1.160 1.713) 3.551 7.502 ( 5.360 -4.123 0.126) 6.764 ======================= Grid point 270 (101/288) ======================= q-point: (-0.21 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( -4.680 -0.362 -1.569) 4.949 2.850 ( -15.867 -0.121 2.212) 16.021 3.253 ( -4.348 11.499 2.393) 12.524 3.417 ( -8.048 -6.866 -4.962) 11.685 3.762 ( 3.964 1.846 -1.197) 4.533 4.254 ( -7.389 -2.267 2.593) 8.152 5.437 ( -3.559 0.329 0.538) 3.614 5.667 ( 0.313 -0.770 -0.485) 0.962 5.883 ( -4.613 1.657 -0.078) 4.903 6.047 ( 1.679 3.604 -2.638) 4.771 6.233 ( 7.691 -1.570 1.759) 8.045 7.597 ( 9.577 -2.275 0.052) 9.843 ======================= Grid point 271 (102/288) ======================= q-point: (-0.14 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -10.363 -0.764 -1.710) 10.531 2.538 ( -20.544 -1.436 1.540) 20.652 3.192 ( -8.945 -0.385 -1.219) 9.036 3.313 ( -1.655 2.709 -0.332) 3.192 3.850 ( 2.626 1.076 -3.524) 4.525 4.038 ( -14.067 -1.245 4.912) 14.952 5.389 ( -3.145 0.466 1.533) 3.530 5.665 ( 0.429 0.018 -1.086) 1.168 5.800 ( -4.992 -0.559 -0.788) 5.084 6.104 ( 2.926 1.564 -1.711) 3.733 6.373 ( 9.131 -0.407 1.710) 9.298 7.766 ( 12.233 -1.421 -1.893) 12.460 ======================= Grid point 272 (103/288) ======================= q-point: (-0.07 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -16.323 0.928 -2.502) 16.540 2.161 ( -22.285 -1.762 0.079) 22.355 3.047 ( -5.558 -3.203 -0.170) 6.417 3.284 ( -6.877 5.110 -3.786) 9.367 3.605 ( -23.522 2.216 -0.706) 23.637 4.061 ( 6.781 1.308 6.093) 9.209 5.343 ( -3.300 0.151 1.634) 3.686 5.682 ( 1.742 0.166 -1.181) 2.111 5.721 ( -2.646 -1.092 -0.463) 2.899 6.164 ( 3.820 0.146 -1.239) 4.019 6.539 ( 10.179 -0.639 3.262) 10.708 7.940 ( 11.690 -2.517 -6.016) 13.386 ======================= Grid point 278 (104/288) ======================= q-point: ( 0.36 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -0.000 10.984 -2.624) 11.293 2.071 ( -0.000 16.716 1.078) 16.751 2.761 ( -0.000 2.275 -1.349) 2.645 3.085 ( -0.000 12.116 -11.744) 16.874 3.542 ( 0.000 20.290 6.050) 21.173 4.151 ( 0.000 -0.287 6.495) 6.501 5.269 ( 0.000 3.819 1.140) 3.986 5.652 ( -0.000 -3.222 -0.641) 3.285 5.714 ( -0.000 0.233 -0.691) 0.729 6.018 ( -0.000 -3.072 -2.249) 3.808 6.676 ( 0.000 -12.527 3.483) 13.002 8.064 ( -0.000 -5.988 -8.297) 10.232 ======================= Grid point 279 (105/288) ======================= q-point: ( 0.43 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -0.514 6.840 -5.706) 8.923 2.315 ( 10.240 15.123 0.284) 18.265 2.831 ( 5.072 3.226 -0.134) 6.013 3.159 ( 1.269 8.116 -7.706) 11.263 3.721 ( 0.353 10.494 2.220) 10.732 4.207 ( 0.000 6.923 8.016) 10.592 5.344 ( 3.736 3.622 2.057) 5.595 5.621 ( -0.383 -1.801 -0.845) 2.026 5.723 ( 0.560 1.338 -1.254) 1.917 5.986 ( 0.677 -3.744 -1.384) 4.049 6.559 ( -1.394 -10.823 1.977) 11.090 7.925 ( -5.927 -6.228 -6.811) 10.969 ======================= Grid point 280 (106/288) ======================= q-point: ( 0.50 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 2.432 5.261 -5.160) 7.760 2.680 ( 13.448 15.601 2.102) 20.704 2.978 ( 9.329 2.488 -2.131) 9.888 3.246 ( 2.907 6.090 -1.870) 7.003 3.771 ( -0.426 0.664 0.874) 1.177 4.303 ( -2.011 9.383 4.518) 10.606 5.458 ( 4.306 2.656 3.297) 6.039 5.602 ( -0.358 0.435 -2.099) 2.173 5.755 ( 1.564 2.620 -1.706) 3.496 5.960 ( 1.221 -3.553 -0.933) 3.871 6.431 ( -2.958 -9.134 0.868) 9.640 7.725 ( -8.100 -5.276 -4.433) 10.635 ======================= Grid point 281 (107/288) ======================= q-point: ( 0.57 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 4.318 4.735 -3.194) 7.161 2.998 ( 5.009 12.099 4.392) 13.812 3.182 ( 9.097 7.011 -6.393) 13.145 3.390 ( 10.647 2.853 3.805) 11.661 3.761 ( 1.138 -2.838 1.226) 3.294 4.315 ( -6.382 5.391 -0.064) 8.354 5.535 ( 1.985 0.365 1.675) 2.623 5.610 ( 0.485 1.963 -0.031) 2.022 5.795 ( -0.154 2.488 -2.611) 3.610 5.974 ( 3.805 -0.572 -1.050) 3.989 6.290 ( -4.272 -7.177 0.382) 8.361 7.548 ( -5.964 -3.941 -1.743) 7.358 ======================= Grid point 282 (108/288) ======================= q-point: ( 0.64 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 3.784 3.601 -1.812) 5.529 3.149 ( 2.030 6.956 2.204) 7.574 3.283 ( -1.568 4.605 -0.755) 4.923 3.625 ( 5.814 4.261 -0.506) 7.226 3.831 ( 10.738 0.127 2.709) 11.075 4.200 ( -8.909 -0.278 -1.743) 9.082 5.558 ( 0.021 1.353 -1.657) 2.139 5.656 ( 2.988 0.193 3.650) 4.721 5.767 ( -2.183 -1.335 -2.579) 3.633 6.047 ( 2.443 3.167 -2.033) 4.487 6.177 ( -2.689 -3.173 1.208) 4.331 7.442 ( -2.136 -3.266 -0.275) 3.912 ======================= Grid point 283 (109/288) ======================= q-point: (-0.29 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 1.619 1.981 -1.156) 2.807 3.202 ( -4.966 2.914 0.403) 5.772 3.271 ( 0.015 1.406 1.846) 2.321 3.685 ( 1.188 1.015 -0.474) 1.633 3.898 ( -14.146 6.412 -3.158) 15.849 4.159 ( 10.883 -4.743 2.428) 12.118 5.552 ( -2.030 1.165 -0.267) 2.356 5.677 ( -2.839 0.235 -0.297) 2.865 5.774 ( 8.301 -2.849 0.082) 8.776 6.077 ( -1.343 3.003 -0.428) 3.317 6.145 ( -0.939 0.083 0.274) 0.982 7.409 ( 1.586 -2.317 0.003) 2.808 ======================= Grid point 284 (110/288) ======================= q-point: (-0.21 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( -1.580 0.858 -1.093) 2.104 3.070 ( -10.673 -0.884 0.898) 10.747 3.299 ( 1.214 -2.388 -0.008) 2.679 3.634 ( -13.679 2.862 0.124) 13.976 3.741 ( -1.139 2.741 0.810) 3.077 4.265 ( 3.486 -2.918 -0.784) 4.613 5.509 ( -3.957 0.897 1.614) 4.367 5.651 ( 0.255 -0.428 -1.229) 1.326 5.887 ( 4.807 -0.549 -1.957) 5.219 6.080 ( -1.089 1.918 1.016) 2.429 6.130 ( 1.414 -1.488 -0.055) 2.054 7.455 ( 5.438 -0.166 -0.193) 5.444 ======================= Grid point 285 (111/288) ======================= q-point: (-0.14 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( -5.792 1.033 -2.094) 6.245 2.832 ( -16.042 -2.630 0.479) 16.263 3.217 ( -3.164 -9.333 -1.445) 9.960 3.499 ( -9.112 9.471 3.208) 13.529 3.792 ( 3.471 0.964 1.621) 3.950 4.207 ( -5.981 -2.564 -1.843) 6.763 5.458 ( -3.788 0.449 2.594) 4.613 5.654 ( 0.570 0.233 -1.702) 1.810 5.860 ( -3.889 -2.132 -2.099) 4.907 6.083 ( 0.117 0.165 0.358) 0.411 6.215 ( 8.976 -1.237 0.255) 9.065 7.580 ( 8.510 1.276 -1.504) 8.736 ======================= Grid point 286 (112/288) ======================= q-point: (-0.07 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -10.703 2.627 -4.327) 11.840 2.496 ( -19.768 -2.992 -0.450) 19.998 3.072 ( -3.548 -7.038 0.341) 7.889 3.465 ( -7.371 8.199 0.259) 11.028 3.837 ( -2.275 0.196 -3.283) 4.000 4.073 ( -5.109 0.718 6.348) 8.180 5.401 ( -3.534 -1.371 2.430) 4.503 5.662 ( 0.523 0.714 -1.553) 1.787 5.768 ( -3.856 -0.910 -0.861) 4.054 6.095 ( 2.481 -2.006 0.095) 3.192 6.366 ( 10.035 -1.527 0.516) 10.164 7.733 ( 9.084 0.454 -4.476) 10.137 ======================= Grid point 293 (113/288) ======================= q-point: ( 0.43 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( -0.000 2.757 -8.119) 8.574 2.318 ( -0.000 9.538 -3.532) 10.171 2.837 ( 0.000 4.866 2.440) 5.443 3.202 ( -0.000 7.034 -4.677) 8.447 3.790 ( 0.000 2.024 2.640) 3.327 4.336 ( 0.000 12.873 6.831) 14.573 5.344 ( 0.000 2.533 1.968) 3.207 5.611 ( -0.000 -0.515 -0.323) 0.608 5.729 ( -0.000 2.007 -1.551) 2.537 5.942 ( 0.000 -4.079 0.428) 4.102 6.484 ( 0.000 -7.554 -0.350) 7.562 7.891 ( -0.000 -6.812 -5.584) 8.808 ======================= Grid point 294 (114/288) ======================= q-point: ( 0.50 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 1.732 1.784 -6.455) 6.918 2.515 ( 14.661 7.046 -3.412) 16.620 2.921 ( 3.047 4.727 2.385) 6.109 3.264 ( 1.210 5.489 -1.275) 5.764 3.785 ( -1.077 -2.157 2.514) 3.483 4.461 ( -2.132 11.315 3.285) 11.974 5.411 ( 4.340 1.706 1.964) 5.060 5.610 ( -0.219 1.427 -1.130) 1.833 5.751 ( 0.770 2.208 -1.011) 2.548 5.907 ( 0.599 -4.552 1.399) 4.800 6.406 ( -2.232 -4.513 -1.580) 5.277 7.769 ( -4.708 -5.795 -3.780) 8.369 ======================= Grid point 295 (115/288) ======================= q-point: ( 0.57 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 4.801 2.525 -2.768) 6.090 2.893 ( 22.449 6.427 -2.929) 23.534 3.034 ( 4.596 3.651 1.317) 6.016 3.336 ( 2.315 2.701 2.159) 4.161 3.744 ( -1.334 -2.996 1.917) 3.799 4.487 ( -5.925 6.808 -0.263) 9.029 5.501 ( 3.433 0.238 1.669) 3.824 5.627 ( -0.004 3.039 -1.687) 3.476 5.797 ( 2.431 2.305 -0.648) 3.412 5.893 ( 2.560 -3.805 1.522) 4.832 6.305 ( -4.593 -3.231 -1.759) 5.885 7.617 ( -6.433 -3.422 -1.675) 7.477 ======================= Grid point 296 (116/288) ======================= q-point: ( 0.64 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 5.106 2.286 -0.364) 5.606 3.144 ( 4.376 2.359 0.465) 4.993 3.283 ( 10.388 5.869 -5.757) 13.247 3.447 ( 14.263 -0.590 6.413) 15.650 3.706 ( 0.078 -3.086 1.560) 3.459 4.394 ( -10.218 3.108 -1.962) 10.859 5.546 ( 2.142 0.362 -0.592) 2.251 5.635 ( -0.780 -0.004 1.171) 1.407 5.821 ( -2.613 1.648 -0.571) 3.142 5.974 ( 8.119 0.278 0.050) 8.124 6.194 ( -4.114 -2.339 -0.687) 4.782 7.488 ( -5.574 -1.356 -0.316) 5.745 ======================= Grid point 297 (117/288) ======================= q-point: (-0.29 -0.57 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 3.481 1.031 0.513) 3.666 3.220 ( 3.550 -1.021 -0.485) 3.726 3.310 ( -3.580 0.064 -0.514) 3.617 3.680 ( 0.575 1.238 -0.092) 1.368 3.823 ( 21.138 -3.485 1.335) 21.464 4.206 ( -13.920 2.048 -0.653) 14.085 5.584 ( 0.402 2.086 -1.585) 2.650 5.634 ( 3.510 -3.428 1.320) 5.080 5.762 ( -5.151 1.925 0.879) 5.568 6.097 ( 3.385 2.435 -1.499) 4.431 6.133 ( -0.460 -2.150 1.095) 2.456 7.409 ( -2.736 0.086 0.017) 2.738 ======================= Grid point 298 (118/288) ======================= q-point: (-0.21 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 1.285 0.051 0.520) 1.387 3.199 ( -4.618 -4.281 0.026) 6.298 3.240 ( -0.895 -3.360 -1.006) 3.620 3.693 ( 0.686 0.069 0.279) 0.744 3.955 ( -9.101 -3.194 2.167) 9.886 4.110 ( 7.510 1.944 -1.974) 8.005 5.580 ( -2.073 0.522 2.428) 3.235 5.644 ( -0.104 -1.962 -2.958) 3.551 5.785 ( 4.952 3.746 0.747) 6.254 6.088 ( -1.929 -1.910 0.393) 2.742 6.138 ( -0.256 -0.917 -0.277) 0.991 7.409 ( 1.479 2.358 -0.013) 2.783 ======================= Grid point 299 (119/288) ======================= q-point: (-0.14 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -1.478 0.460 -0.451) 1.613 3.031 ( -11.243 -3.442 -0.348) 11.763 3.151 ( -0.863 -10.445 -0.533) 10.494 3.697 ( -2.321 2.410 -0.306) 3.359 3.816 ( -5.775 1.736 6.673) 8.994 4.186 ( 2.638 -2.589 -4.816) 6.071 5.534 ( -3.921 -1.092 2.545) 4.801 5.636 ( 1.120 0.224 -2.014) 2.315 5.889 ( -0.419 2.535 -1.589) 3.021 6.041 ( 3.267 -5.615 2.100) 6.827 6.117 ( -0.058 0.126 -1.439) 1.446 7.496 ( 4.617 4.198 -0.395) 6.253 ======================= Grid point 300 (120/288) ======================= q-point: (-0.07 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -5.413 2.219 -3.077) 6.610 2.751 ( -15.483 -5.334 -1.263) 16.424 3.041 ( -1.293 -7.960 1.110) 8.141 3.661 ( -6.148 5.581 0.080) 8.303 3.822 ( 1.119 0.338 4.367) 4.521 4.147 ( -1.900 -1.949 -1.715) 3.217 5.449 ( -4.065 -3.780 1.907) 5.870 5.657 ( 0.909 1.541 -2.313) 2.924 5.829 ( -4.404 0.365 0.537) 4.451 6.046 ( 1.104 -5.041 2.880) 5.910 6.191 ( 7.952 0.498 -3.802) 8.828 7.622 ( 5.544 3.679 -1.719) 6.872 ======================= Grid point 308 (121/288) ======================= q-point: ( 0.50 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( -0.000 0.607 -4.910) 4.947 2.423 ( -0.000 4.252 -2.546) 4.956 2.945 ( 0.000 3.708 1.893) 4.163 3.299 ( -0.000 4.016 0.219) 4.022 3.776 ( 0.000 -3.186 2.457) 4.024 4.585 ( -0.000 8.190 0.950) 8.245 5.386 ( 0.000 0.705 0.914) 1.154 5.629 ( -0.000 2.696 -0.599) 2.762 5.766 ( -0.000 2.252 -0.776) 2.382 5.857 ( 0.000 -5.845 2.545) 6.375 6.399 ( -0.000 -0.368 -2.503) 2.530 7.745 ( -0.000 -4.818 -2.479) 5.419 ======================= Grid point 309 (122/288) ======================= q-point: ( 0.57 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 3.500 1.901 -0.582) 4.026 2.588 ( 15.483 2.850 -1.169) 15.786 3.001 ( 2.979 1.577 0.608) 3.425 3.339 ( 0.897 1.773 1.749) 2.648 3.745 ( -1.019 -2.501 1.570) 3.124 4.616 ( -3.157 3.709 -1.539) 5.108 5.433 ( 4.414 -0.099 0.108) 4.416 5.659 ( -0.030 4.299 -1.401) 4.522 5.772 ( 0.081 -2.061 1.828) 2.756 5.833 ( 1.900 -2.500 1.171) 3.351 6.364 ( -3.776 0.740 -2.303) 4.485 7.672 ( -3.672 -2.031 -0.864) 4.285 ======================= Grid point 310 (123/288) ======================= q-point: (-0.36 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 5.069 1.841 2.137) 5.801 2.951 ( 23.760 1.975 -1.165) 23.870 3.071 ( 4.817 -1.291 -0.817) 5.054 3.371 ( 1.273 -0.946 3.581) 3.916 3.709 ( -1.418 -1.048 0.587) 1.859 4.545 ( -6.321 0.014 -2.733) 6.886 5.497 ( 3.251 -0.979 -0.769) 3.481 5.674 ( -2.352 1.578 -0.079) 2.834 5.813 ( 8.041 -1.137 0.962) 8.178 5.856 ( 0.772 0.221 1.290) 1.519 6.277 ( -6.154 0.983 -1.475) 6.404 7.584 ( -5.868 0.709 0.196) 5.914 ======================= Grid point 311 (124/288) ======================= q-point: (-0.29 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 4.379 0.022 2.680) 5.134 3.117 ( 4.481 -5.012 -2.027) 7.022 3.318 ( 8.729 2.375 -5.542) 10.609 3.421 ( 14.841 -7.026 7.100) 17.890 3.691 ( -0.432 1.456 -0.074) 1.520 4.399 ( -8.655 -1.720 -1.392) 8.933 5.528 ( 2.994 -1.355 -2.037) 3.866 5.639 ( -2.187 -0.298 1.394) 2.611 5.854 ( -2.352 0.715 2.530) 3.528 5.974 ( 9.483 0.014 -0.037) 9.483 6.192 ( -4.976 2.483 -0.817) 5.621 7.496 ( -5.994 2.227 0.426) 6.409 ======================= Grid point 312 (125/288) ======================= q-point: (-0.21 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 3.212 -1.796 2.364) 4.373 3.102 ( 2.955 -9.222 -2.271) 9.947 3.296 ( -4.241 -2.625 0.410) 5.004 3.633 ( 8.972 -6.230 0.249) 10.926 3.775 ( 9.408 1.087 -2.591) 9.818 4.237 ( -8.438 -0.354 1.843) 8.644 5.563 ( 3.800 -2.423 -3.075) 5.456 5.614 ( -1.167 0.335 1.666) 2.061 5.829 ( -2.261 2.218 3.447) 4.682 6.083 ( 3.928 -2.054 1.221) 4.598 6.145 ( -4.058 2.813 -1.706) 5.224 7.449 ( -2.649 3.933 0.394) 4.758 ======================= Grid point 313 (126/288) ======================= q-point: (-0.14 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 2.208 -1.893 1.822) 3.432 3.033 ( 1.739 -11.996 -0.744) 12.144 3.150 ( -8.087 -5.423 -0.237) 9.740 3.691 ( 3.047 -0.911 0.949) 3.319 3.867 ( 3.124 -3.188 -3.107) 5.439 4.153 ( -2.767 0.878 1.482) 3.259 5.555 ( -0.506 -3.960 -1.441) 4.244 5.620 ( 0.470 0.948 0.792) 1.322 5.873 ( 3.934 1.335 1.736) 4.502 6.054 ( -7.179 0.976 -0.176) 7.247 6.108 ( 0.581 -1.530 0.060) 1.638 7.492 ( 1.630 5.701 0.380) 5.942 ======================= Grid point 314 (127/288) ======================= q-point: (-0.07 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( -0.040 -0.069 -0.000) 0.079 2.877 ( -7.094 -12.287 -0.000) 14.188 2.992 ( -2.674 -4.631 -0.000) 5.348 3.727 ( 0.614 1.063 -0.000) 1.227 3.855 ( -0.353 -0.611 -0.000) 0.705 4.129 ( -0.706 -1.223 0.000) 1.412 5.469 ( -3.341 -5.787 -0.000) 6.683 5.650 ( 1.144 1.981 -0.000) 2.287 5.928 ( -1.979 -3.428 0.000) 3.958 5.948 ( -0.314 -0.544 -0.000) 0.628 6.130 ( 1.683 2.915 -0.000) 3.366 7.593 ( 3.101 5.372 0.000) 6.203 ======================= Grid point 324 (128/288) ======================= q-point: (-0.43 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 0.000 3.197 3.613) 4.824 2.472 ( 0.000 1.498 1.022) 1.814 2.977 ( -0.000 -1.118 -0.760) 1.351 3.348 ( 0.000 0.083 2.398) 2.399 3.738 ( 0.000 -1.308 0.642) 1.458 4.648 ( -0.000 -0.783 -3.536) 3.622 5.385 ( -0.000 -0.595 -0.947) 1.118 5.691 ( 0.000 1.867 0.302) 1.892 5.767 ( 0.000 -2.607 1.191) 2.866 5.794 ( 0.000 0.490 0.718) 0.869 6.402 ( -0.000 1.198 -1.856) 2.209 7.697 ( 0.000 1.104 0.320) 1.150 ======================= Grid point 325 (129/288) ======================= q-point: (-0.36 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 2.261 2.752 5.933) 6.920 2.621 ( 15.236 -0.092 2.028) 15.370 2.975 ( 2.939 -3.537 -1.937) 4.991 3.355 ( 0.589 -1.554 3.544) 3.914 3.726 ( -0.853 0.248 -0.316) 0.943 4.582 ( -2.543 -5.099 -4.899) 7.514 5.413 ( 4.133 -1.248 -1.662) 4.626 5.695 ( 1.460 -4.877 2.197) 5.545 5.745 ( -1.426 4.142 -0.742) 4.443 5.839 ( 2.520 1.170 1.371) 3.099 6.374 ( -3.810 1.271 -1.131) 4.172 7.693 ( -3.919 4.062 1.082) 5.747 ======================= Grid point 326 (130/288) ======================= q-point: (-0.29 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 2.866 -0.434 5.316) 6.055 2.901 ( 15.606 -9.196 -2.228) 18.250 3.022 ( 10.674 -0.323 -0.090) 10.679 3.356 ( 0.206 -2.948 4.481) 5.368 3.719 ( -0.778 2.106 -0.544) 2.310 4.447 ( -3.682 -7.935 -4.265) 9.732 5.457 ( 3.186 -1.905 -2.383) 4.411 5.666 ( -0.942 -2.344 1.968) 3.202 5.810 ( 5.423 -0.446 0.275) 5.449 5.900 ( 2.000 3.316 2.159) 4.433 6.313 ( -5.233 3.484 -0.835) 6.342 7.649 ( -7.124 5.305 1.264) 8.971 ======================= Grid point 327 (131/288) ======================= q-point: (-0.21 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 3.097 -3.864 3.913) 6.312 2.913 ( 5.761 -13.714 -3.986) 15.400 3.298 ( 15.398 -6.756 2.735) 17.036 3.323 ( 0.584 -1.069 -0.309) 1.257 3.749 ( 0.945 4.007 0.068) 4.118 4.298 ( -3.126 -7.830 -1.683) 8.597 5.476 ( 2.842 -2.020 -3.167) 4.710 5.640 ( -1.070 -0.646 2.013) 2.370 5.853 ( 1.199 -3.036 2.762) 4.276 6.002 ( 4.591 2.610 1.807) 5.582 6.269 ( -5.196 6.038 -1.639) 8.132 7.582 ( -7.026 5.918 1.443) 9.299 ======================= Grid point 328 (132/288) ======================= q-point: (-0.14 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 4.150 -5.173 3.387) 7.447 2.844 ( 4.468 -15.739 -1.850) 16.465 3.203 ( -5.172 -6.925 1.450) 8.764 3.524 ( 12.559 -3.531 -1.887) 13.182 3.807 ( 1.237 2.803 -1.364) 3.354 4.194 ( -1.461 -4.934 0.563) 5.177 5.489 ( 2.297 -3.078 -3.498) 5.194 5.634 ( -0.247 0.502 2.288) 2.355 5.837 ( 0.385 -3.495 2.513) 4.322 6.078 ( 1.817 0.272 1.407) 2.314 6.223 ( -7.327 6.625 -1.303) 9.963 7.563 ( -2.828 6.927 1.796) 7.695 ======================= Grid point 339 (133/288) ======================= q-point: (-0.36 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 0.000 2.454 8.276) 8.632 2.483 ( 0.000 -2.702 3.193) 4.183 2.901 ( -0.000 -4.785 -2.377) 5.343 3.346 ( 0.000 -2.256 5.087) 5.564 3.739 ( -0.000 1.462 -1.114) 1.838 4.505 ( -0.000 -10.551 -7.019) 12.672 5.355 ( -0.000 -1.431 -1.925) 2.399 5.648 ( 0.000 -3.426 1.438) 3.715 5.790 ( 0.000 -1.670 1.459) 2.217 5.838 ( -0.000 6.155 0.176) 6.157 6.415 ( -0.000 1.545 -0.642) 1.673 7.789 ( 0.000 7.066 1.604) 7.246 ======================= Grid point 340 (134/288) ======================= q-point: (-0.29 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( -0.262 -1.742 6.712) 6.939 2.558 ( 11.899 -9.123 0.391) 14.999 2.886 ( 4.534 -2.914 -0.685) 5.433 3.343 ( 0.074 -2.745 6.608) 7.156 3.749 ( -0.359 2.291 -0.727) 2.430 4.350 ( -0.503 -14.339 -7.705) 16.286 5.368 ( 3.565 -2.032 -2.094) 4.607 5.636 ( 1.108 -2.013 1.556) 2.775 5.771 ( 0.044 -1.271 0.780) 1.492 5.916 ( 1.566 5.263 1.782) 5.773 6.413 ( -2.695 3.863 -0.629) 4.752 7.828 ( -5.043 8.225 1.701) 9.797 ======================= Grid point 341 (135/288) ======================= q-point: (-0.21 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 0.955 -6.556 4.149) 7.817 2.608 ( 9.889 -17.371 -4.426) 20.473 3.022 ( 12.223 -1.113 1.918) 12.423 3.324 ( -1.287 -3.686 5.359) 6.630 3.775 ( 0.729 2.107 1.690) 2.798 4.188 ( 1.119 -13.761 -6.864) 15.419 5.397 ( 3.138 -2.459 -2.467) 4.689 5.645 ( 0.387 -0.707 1.996) 2.152 5.781 ( 2.660 -2.531 0.761) 3.750 6.002 ( 1.849 4.915 3.071) 6.084 6.404 ( -3.937 6.777 -1.687) 8.018 7.795 ( -8.616 8.238 2.149) 12.113 ======================= Grid point 342 (136/288) ======================= q-point: (-0.14 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 3.844 -9.265 3.110) 10.502 2.561 ( 7.846 -19.231 -2.997) 20.986 3.174 ( 3.708 -7.364 2.492) 8.613 3.308 ( 6.211 -1.031 0.679) 6.333 3.814 ( 1.832 -0.972 3.501) 4.069 4.094 ( 2.995 -8.048 -6.214) 10.600 5.411 ( 2.445 -2.603 -2.798) 4.536 5.649 ( -0.249 0.452 1.953) 2.020 5.789 ( 1.448 -4.355 1.458) 4.816 6.082 ( 0.876 3.561 2.771) 4.597 6.395 ( -5.258 8.132 -2.731) 10.062 7.739 ( -7.824 8.374 3.440) 11.965 ======================= Grid point 354 (137/288) ======================= q-point: (-0.29 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 0.000 -6.181 4.621) 7.718 2.353 ( 0.000 -12.651 -0.419) 12.658 2.818 ( 0.000 -2.079 0.859) 2.249 3.342 ( 0.000 -2.963 8.682) 9.174 3.762 ( 0.000 -1.090 0.669) 1.279 4.165 ( -0.000 -16.020 -10.203) 18.993 5.309 ( -0.000 -2.044 -1.360) 2.455 5.623 ( 0.000 0.278 1.076) 1.111 5.755 ( 0.000 -2.482 0.934) 2.652 5.964 ( 0.000 5.729 2.172) 6.127 6.478 ( -0.000 5.725 -0.763) 5.776 7.966 ( 0.000 9.509 1.550) 9.634 ======================= Grid point 355 (138/288) ======================= q-point: (-0.21 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( -0.654 -11.157 1.729) 11.310 2.267 ( 7.205 -18.237 -3.891) 19.991 2.866 ( 6.260 -0.775 2.974) 6.974 3.328 ( -1.025 -4.517 7.698) 8.984 3.710 ( 2.735 -15.326 1.967) 15.692 4.033 ( 0.534 -3.454 -8.805) 9.474 5.312 ( 2.859 -2.580 -0.947) 3.966 5.643 ( 0.497 1.709 1.375) 2.249 5.738 ( 0.543 -1.975 0.193) 2.057 6.036 ( 1.199 5.083 3.391) 6.227 6.522 ( -2.220 7.958 -1.689) 8.433 8.015 ( -5.707 9.462 1.734) 11.186 ======================= Grid point 356 (139/288) ======================= q-point: (-0.14 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 2.219 -14.854 0.040) 15.019 2.207 ( 9.277 -20.336 -3.334) 22.599 3.000 ( 9.005 -2.768 3.011) 9.891 3.271 ( -1.353 -5.657 4.675) 7.462 3.615 ( 8.972 -22.499 0.687) 24.232 4.036 ( -0.373 5.767 -5.171) 7.755 5.333 ( 2.937 -2.817 -1.094) 4.214 5.669 ( -0.267 1.873 1.598) 2.476 5.734 ( 1.068 -2.234 0.019) 2.476 6.118 ( 1.129 4.602 3.468) 5.872 6.545 ( -4.019 9.064 -3.075) 10.381 7.984 ( -8.891 9.127 3.356) 13.176 ======================= Grid point 369 (140/288) ======================= q-point: (-0.21 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 0.000 -16.036 -1.521) 16.108 2.005 ( -0.000 -20.357 -5.001) 20.962 2.821 ( 0.000 -0.105 4.007) 4.009 3.301 ( 0.000 -10.581 7.990) 13.259 3.443 ( 0.000 -26.972 -3.230) 27.164 4.046 ( -0.000 7.354 -2.738) 7.847 5.261 ( 0.000 -2.567 0.335) 2.589 5.672 ( 0.000 3.622 1.318) 3.854 5.717 ( -0.000 -1.330 -0.456) 1.406 6.085 ( 0.000 4.582 4.234) 6.238 6.620 ( -0.000 9.393 -2.144) 9.634 8.162 ( -0.000 9.478 1.088) 9.540 ======================= Grid point 370 (141/288) ======================= q-point: (-0.14 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 0.066 -20.603 -4.527) 21.095 1.854 ( 7.414 -20.746 -3.787) 22.354 2.873 ( 4.664 -1.668 4.493) 6.688 3.130 ( 7.014 -31.497 1.226) 32.292 3.288 ( 0.541 -9.565 0.052) 9.580 4.118 ( -0.918 8.774 -0.126) 8.823 5.258 ( 2.270 -2.812 0.708) 3.683 5.701 ( -0.386 0.940 0.255) 1.048 5.718 ( 0.125 2.197 0.171) 2.207 6.154 ( 1.139 4.412 4.618) 6.487 6.685 ( -2.574 10.027 -2.981) 10.773 8.207 ( -5.470 8.917 1.802) 10.615 ======================= Grid point 384 (142/288) ======================= q-point: (-0.14 -0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -0.000 -21.942 -5.279) 22.568 1.529 ( -0.000 -23.939 -7.237) 25.008 2.680 ( 0.000 -41.105 -0.614) 41.109 2.847 ( 0.000 -0.196 4.127) 4.132 3.216 ( 0.000 -8.333 0.911) 8.383 4.216 ( 0.000 8.490 2.066) 8.738 5.216 ( 0.000 -2.750 1.756) 3.263 5.704 ( -0.000 0.740 -1.501) 1.674 5.756 ( 0.000 3.403 1.276) 3.634 6.204 ( 0.000 4.581 5.983) 7.535 6.798 ( -0.000 10.368 -3.033) 10.802 8.340 ( -0.000 8.172 0.659) 8.199 ======================= Grid point 431 (143/288) ======================= q-point: ( 0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( 0.000 -0.000 23.600) 23.600 0.484 ( 0.000 -0.000 23.600) 23.600 0.779 ( 0.000 -0.000 38.460) 38.460 2.812 ( -0.000 0.000 -3.928) 3.928 2.812 ( -0.000 0.000 -3.928) 3.928 4.927 ( -0.000 0.000 -13.874) 13.874 5.124 ( -0.000 0.000 -1.046) 1.046 5.124 ( -0.000 0.000 -1.046) 1.046 5.786 ( 0.000 -0.000 1.202) 1.202 5.786 ( 0.000 -0.000 1.202) 1.202 7.246 ( 0.000 -0.000 7.579) 7.579 8.119 ( -0.000 0.000 -2.135) 2.135 ======================= Grid point 432 (144/288) ======================= q-point: ( 0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 11.261 6.502 15.966) 20.592 0.723 ( 9.286 5.362 21.566) 24.084 1.311 ( 29.836 17.226 20.957) 40.325 2.828 ( 1.565 0.903 -3.545) 3.979 2.835 ( 4.243 2.450 -4.511) 6.660 4.466 ( -8.048 -4.647 -2.389) 9.596 5.151 ( 1.942 1.121 -0.656) 2.336 5.761 ( -1.961 -1.132 1.002) 2.476 5.783 ( 4.108 2.372 -2.269) 5.258 5.978 ( 20.793 12.005 -24.225) 34.107 7.239 ( -3.688 -2.130 8.682) 9.671 8.222 ( 4.152 2.397 -14.175) 14.964 ======================= Grid point 433 (145/288) ======================= q-point: ( 0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 17.097 9.871 8.032) 21.313 1.032 ( 12.736 7.353 11.664) 18.771 2.054 ( 30.728 17.741 6.551) 36.081 2.857 ( 1.980 1.143 -2.952) 3.733 2.977 ( 9.317 5.379 -1.244) 10.831 4.347 ( -3.000 -1.732 -4.020) 5.307 5.206 ( 3.040 1.755 -0.273) 3.521 5.710 ( -2.665 -1.539 0.699) 3.155 5.813 ( -0.451 -0.261 0.144) 0.541 6.186 ( 5.936 3.427 -11.943) 13.770 7.140 ( -7.595 -4.385 10.526) 13.701 8.157 ( -4.548 -2.626 -16.276) 17.102 ======================= Grid point 434 (146/288) ======================= q-point: ( 0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 13.457 7.770 2.325) 15.712 1.430 ( 18.305 10.569 3.530) 21.430 2.681 ( 24.328 14.046 -5.845) 28.693 2.894 ( 1.988 1.148 -2.091) 3.105 3.246 ( 13.696 7.908 5.986) 16.910 4.288 ( -1.544 -0.891 -0.721) 1.923 5.280 ( 3.252 1.878 0.398) 3.777 5.659 ( -1.642 -0.948 0.042) 1.897 5.770 ( -2.869 -1.656 -0.710) 3.388 6.222 ( -0.047 -0.027 -5.114) 5.114 6.977 ( -10.229 -5.906 11.262) 16.320 7.961 ( -6.984 -4.032 -15.833) 17.769 ======================= Grid point 435 (147/288) ======================= q-point: ( 0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 12.932 7.466 -4.191) 15.510 1.836 ( 16.888 9.750 0.656) 19.511 2.930 ( 1.527 0.882 -0.923) 1.990 3.108 ( 16.743 9.667 -9.418) 21.505 3.579 ( 12.433 7.178 6.345) 15.696 4.273 ( -0.441 -0.255 4.662) 4.690 5.338 ( 1.280 0.739 1.501) 2.107 5.655 ( 1.705 0.985 -1.052) 2.232 5.704 ( -2.325 -1.343 -0.778) 2.796 6.163 ( -3.271 -1.888 -3.059) 4.861 6.738 ( -13.974 -8.068 6.651) 17.453 7.789 ( -3.842 -2.218 -10.509) 11.407 ======================= Grid point 436 (148/288) ======================= q-point: ( 0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 11.465 6.619 -7.390) 15.162 2.179 ( 13.551 7.823 -1.338) 15.704 2.953 ( 0.479 0.277 0.471) 0.727 3.393 ( 11.321 6.536 -8.137) 15.398 3.794 ( 5.385 3.109 2.824) 6.830 4.287 ( -0.764 -0.441 8.560) 8.605 5.347 ( -0.659 -0.380 2.003) 2.143 5.668 ( -0.618 -0.357 -1.645) 1.793 5.721 ( 4.063 2.346 -1.531) 4.935 6.099 ( -1.305 -0.753 1.162) 1.902 6.414 ( -14.634 -8.449 -1.055) 16.930 7.717 ( -0.961 -0.555 -4.047) 4.196 ======================= Grid point 437 (149/288) ======================= q-point: ( 0.57 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 8.900 5.138 -7.710) 12.848 2.427 ( 9.037 5.217 -2.565) 10.746 2.949 ( -1.220 -0.705 1.747) 2.245 3.560 ( 6.071 3.505 -8.698) 11.172 3.854 ( -0.320 -0.185 0.217) 0.428 4.286 ( -1.848 -1.067 11.210) 11.411 5.334 ( -0.940 -0.543 1.820) 2.119 5.665 ( 1.267 0.732 -2.435) 2.841 5.802 ( 3.166 1.828 -1.345) 3.895 6.062 ( -8.948 -5.166 5.384) 11.651 6.179 ( 0.520 0.300 -4.399) 4.440 7.700 ( -0.026 -0.015 -1.219) 1.219 ======================= Grid point 438 (150/288) ======================= q-point: (-0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 4.667 2.695 -5.535) 7.726 2.559 ( 3.167 1.829 -2.320) 4.331 2.910 ( -2.580 -1.490 1.859) 3.511 3.625 ( 3.019 1.743 -10.513) 11.076 3.792 ( -4.035 -2.329 -1.931) 5.043 4.285 ( -2.372 -1.370 12.979) 13.265 5.320 ( -0.753 -0.435 1.405) 1.652 5.724 ( 4.515 2.607 -1.083) 5.325 5.842 ( 0.586 0.338 -0.982) 1.192 5.857 ( -7.576 -4.374 -2.015) 8.977 6.262 ( 4.120 2.379 3.268) 5.772 7.712 ( 1.579 0.911 -0.103) 1.826 ======================= Grid point 439 (151/288) ======================= q-point: (-0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -1.757 -1.014 -1.709) 2.652 2.529 ( -6.042 -3.488 0.920) 7.037 2.869 ( -0.755 -0.436 -0.926) 1.272 3.601 ( -2.790 -1.611 -10.260) 10.753 3.751 ( 2.657 1.534 -2.266) 3.814 4.217 ( -8.191 -4.729 10.553) 14.172 5.309 ( -0.593 -0.343 0.813) 1.063 5.712 ( -4.284 -2.474 -1.899) 5.299 5.823 ( -1.964 -1.134 -0.511) 2.325 5.859 ( 7.028 4.058 -1.648) 8.281 6.359 ( 3.728 2.152 2.907) 5.194 7.785 ( 4.892 2.824 1.845) 5.942 ======================= Grid point 440 (152/288) ======================= q-point: (-0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -9.148 -5.282 1.729) 10.704 2.307 ( -13.897 -8.023 3.728) 16.474 2.863 ( 0.478 0.276 -3.187) 3.235 3.486 ( -4.624 -2.670 -4.888) 7.238 3.854 ( 5.324 3.074 -8.402) 10.411 3.956 ( -16.568 -9.566 9.907) 21.545 5.296 ( -0.771 -0.445 -0.036) 0.891 5.653 ( -0.226 -0.130 -1.799) 1.818 5.763 ( -2.954 -1.705 0.151) 3.414 6.011 ( 6.632 3.829 -2.422) 8.032 6.460 ( 5.078 2.932 0.990) 5.947 7.942 ( 8.064 4.656 3.860) 10.080 ======================= Grid point 441 (153/288) ======================= q-point: (-0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -15.187 -8.768 3.799) 17.943 1.953 ( -18.546 -10.708 5.310) 22.064 2.860 ( 0.199 0.115 -3.892) 3.899 3.352 ( -9.365 -5.407 -2.340) 11.064 3.423 ( -25.143 -14.516 1.037) 29.051 4.042 ( 8.425 4.864 -2.015) 9.935 5.268 ( -1.663 -0.960 -1.074) 2.201 5.685 ( 3.127 1.805 -1.350) 3.854 5.710 ( -1.596 -0.921 0.975) 2.085 6.127 ( 4.696 2.711 -4.290) 6.915 6.604 ( 7.518 4.340 0.997) 8.738 8.151 ( 8.938 5.160 3.280) 10.829 ======================= Grid point 446 (154/288) ======================= q-point: ( 0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 0.000 18.026 15.933) 24.059 0.869 ( 0.000 16.758 17.478) 24.214 1.315 ( 0.000 26.654 24.843) 36.437 2.766 ( -0.000 -0.464 -5.421) 5.441 2.861 ( -0.000 6.416 -3.976) 7.548 4.452 ( -0.000 -10.841 -3.420) 11.368 5.113 ( -0.000 0.557 -1.381) 1.490 5.758 ( -0.000 7.156 -5.638) 9.110 5.788 ( 0.000 -1.110 1.472) 1.843 5.890 ( -0.000 19.764 -18.381) 26.990 7.265 ( 0.000 -4.659 8.996) 10.131 8.211 ( -0.000 7.426 -12.819) 14.815 ======================= Grid point 447 (155/288) ======================= q-point: ( 0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 4.763 19.913 9.870) 22.730 1.079 ( 0.474 17.596 16.983) 24.460 1.854 ( 19.698 26.555 10.298) 34.630 2.792 ( 4.807 0.305 -4.388) 6.516 2.936 ( 2.522 8.149 -2.707) 8.949 4.338 ( -1.585 -4.810 -5.003) 7.119 5.156 ( 3.684 0.889 -0.915) 3.898 5.745 ( -2.511 -1.219 0.855) 2.920 5.803 ( 1.034 -0.545 0.235) 1.192 6.062 ( 7.432 7.590 -14.804) 18.221 7.205 ( -3.386 -7.936 10.011) 13.216 8.183 ( -4.452 2.100 -15.003) 15.790 ======================= Grid point 448 (156/288) ======================= q-point: ( 0.36 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 4.954 13.712 9.388) 17.341 1.396 ( 7.929 22.171 6.034) 24.307 2.442 ( 20.425 20.233 -4.015) 29.028 2.871 ( 3.251 2.897 -3.429) 5.543 3.128 ( 10.844 8.826 4.180) 14.593 4.275 ( -0.094 -2.802 -2.897) 4.032 5.235 ( 4.193 1.937 -0.324) 4.630 5.691 ( -2.694 -0.914 0.565) 2.900 5.783 ( -1.345 -2.545 -0.693) 2.961 6.165 ( 4.189 0.412 -7.019) 8.184 7.074 ( -5.848 -9.828 11.277) 16.061 8.017 ( -8.753 -1.221 -15.621) 17.948 ======================= Grid point 449 (157/288) ======================= q-point: ( 0.43 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 7.031 11.797 1.065) 13.775 1.773 ( 9.644 20.746 3.342) 23.121 2.889 ( 15.084 11.101 -7.510) 20.179 2.936 ( 3.367 6.116 -4.674) 8.402 3.457 ( 13.456 8.725 6.903) 17.460 4.261 ( 1.401 -2.011 1.715) 2.991 5.324 ( 3.150 2.681 0.624) 4.183 5.653 ( -1.005 0.223 -0.272) 1.064 5.722 ( -2.124 -2.355 -0.964) 3.314 6.162 ( -0.490 -2.694 -4.501) 5.269 6.881 ( -9.974 -10.923 9.402) 17.527 7.813 ( -6.641 -1.863 -12.372) 14.165 ======================= Grid point 450 (158/288) ======================= q-point: ( 0.50 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 8.305 9.753 -4.248) 13.495 2.126 ( 8.288 18.641 1.248) 20.439 2.968 ( 0.124 3.664 -1.358) 3.909 3.237 ( 13.232 9.478 -7.749) 18.027 3.727 ( 8.118 4.525 3.262) 9.849 4.287 ( 1.950 -1.918 6.020) 6.612 5.382 ( -0.207 3.115 1.766) 3.586 5.650 ( 0.254 -1.762 -1.733) 2.485 5.696 ( 1.287 2.073 -0.800) 2.568 6.103 ( -0.951 -2.182 -2.634) 3.551 6.582 ( -14.876 -10.388 2.874) 18.370 7.701 ( -1.243 -2.185 -5.352) 5.913 ======================= Grid point 451 (159/288) ======================= q-point: ( 0.57 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 8.124 7.595 -6.590) 12.927 2.410 ( 5.001 16.070 -0.460) 16.836 2.989 ( -1.512 2.937 0.369) 3.324 3.467 ( 7.573 6.453 -7.546) 12.487 3.842 ( 2.217 0.377 1.078) 2.494 4.311 ( 0.741 -2.633 8.500) 8.930 5.395 ( -2.801 3.945 2.018) 5.242 5.630 ( 0.989 -1.680 -2.282) 3.001 5.770 ( 3.495 3.294 -1.108) 4.929 6.105 ( 3.153 -0.126 1.016) 3.315 6.240 ( -14.363 -7.729 -1.517) 16.381 7.670 ( 1.134 -2.852 -1.403) 3.374 ======================= Grid point 452 (160/288) ======================= q-point: ( 0.64 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 6.274 4.881 -6.723) 10.411 2.598 ( 0.580 13.455 -1.461) 13.547 2.971 ( -3.682 1.575 1.813) 4.396 3.571 ( 2.715 3.613 -8.797) 9.890 3.819 ( -2.860 -2.639 -1.830) 4.300 4.332 ( 0.330 -1.889 11.547) 11.705 5.384 ( -3.669 4.124 1.652) 5.762 5.653 ( 3.800 -0.140 -1.272) 4.010 5.844 ( 1.499 3.021 -1.454) 3.673 5.964 ( -10.365 -4.206 -2.361) 11.432 6.194 ( 5.862 -0.194 3.291) 6.726 7.667 ( 2.356 -2.777 -0.477) 3.673 ======================= Grid point 453 (161/288) ======================= q-point: (-0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 2.300 1.153 -4.899) 5.533 2.664 ( -6.603 9.130 -0.234) 11.270 2.918 ( -3.916 1.506 1.126) 4.344 3.580 ( -0.621 0.575 -11.155) 11.187 3.738 ( -1.249 -1.803 -0.775) 2.326 4.328 ( -4.114 -2.492 11.178) 12.169 5.365 ( -3.537 3.387 1.148) 5.030 5.732 ( 3.961 -1.432 0.757) 4.279 5.779 ( -4.947 -0.758 -3.465) 6.087 5.889 ( -0.572 4.359 -1.580) 4.671 6.298 ( 5.512 -0.925 3.392) 6.537 7.706 ( 5.313 -1.574 0.401) 5.556 ======================= Grid point 454 (162/288) ======================= q-point: (-0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( -4.019 -3.119 -1.900) 5.430 2.528 ( -15.214 1.004 2.990) 15.537 2.900 ( -2.448 4.986 -1.874) 5.862 3.497 ( -2.858 -3.121 -7.764) 8.843 3.772 ( 4.652 2.465 -3.316) 6.222 4.177 ( -13.637 -5.885 9.015) 17.374 5.339 ( -3.054 2.207 0.657) 3.825 5.670 ( -2.738 -0.394 -1.684) 3.238 5.779 ( -0.647 -1.300 -0.069) 1.454 5.959 ( 3.890 5.589 -2.293) 7.185 6.389 ( 5.527 -0.256 1.663) 5.778 7.826 ( 9.309 0.023 1.868) 9.494 ======================= Grid point 455 (163/288) ======================= q-point: (-0.14 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -11.430 -6.923 1.161) 13.414 2.227 ( -19.700 -3.234 4.027) 20.366 2.897 ( -3.044 5.219 -3.320) 6.893 3.389 ( -3.564 -4.232 -4.585) 7.186 3.739 ( -20.497 -7.258 -2.784) 21.922 3.960 ( 3.134 1.674 5.079) 6.198 5.307 ( -3.003 1.173 0.049) 3.224 5.657 ( 1.121 1.345 -1.413) 2.250 5.736 ( -2.282 -0.775 0.405) 2.444 6.071 ( 4.321 3.957 -3.507) 6.828 6.508 ( 7.639 1.529 1.196) 7.882 8.015 ( 11.379 0.682 1.584) 11.509 ======================= Grid point 461 (164/288) ======================= q-point: ( 0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 0.000 19.386 10.705) 22.145 1.314 ( 0.000 19.005 10.877) 21.898 2.027 ( 0.000 33.494 8.974) 34.675 2.728 ( -0.000 0.351 -5.398) 5.409 2.995 ( -0.000 9.368 -2.413) 9.674 4.284 ( -0.000 -4.858 -4.566) 6.667 5.132 ( -0.000 2.330 -0.855) 2.482 5.765 ( 0.000 -2.024 1.092) 2.300 5.776 ( -0.000 -1.209 -0.527) 1.319 6.029 ( -0.000 6.293 -10.961) 12.639 7.171 ( 0.000 -11.135 9.558) 14.675 8.201 ( -0.000 1.533 -14.615) 14.695 ======================= Grid point 462 (165/288) ======================= q-point: ( 0.36 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 0.608 16.602 7.362) 18.172 1.560 ( 3.290 21.125 8.379) 22.963 2.420 ( 7.130 27.336 -3.322) 28.445 2.792 ( 7.177 2.775 -3.864) 8.610 3.115 ( 3.672 10.918 2.486) 11.784 4.232 ( 0.225 -3.268 -2.441) 4.086 5.189 ( 3.412 2.987 -0.211) 4.539 5.722 ( -2.055 -1.600 0.245) 2.616 5.763 ( 0.092 -3.020 -0.535) 3.068 6.078 ( 3.611 1.345 -6.175) 7.278 7.062 ( -2.264 -13.147 9.582) 16.425 8.100 ( -6.690 -0.537 -14.362) 15.853 ======================= Grid point 463 (166/288) ======================= q-point: ( 0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 1.150 13.470 2.316) 13.716 1.885 ( 6.342 22.922 6.386) 24.626 2.755 ( 11.270 15.378 -7.727) 20.572 2.926 ( 4.222 6.224 -6.615) 10.016 3.372 ( 10.074 12.263 6.803) 17.267 4.217 ( 1.408 -2.261 1.267) 2.949 5.291 ( 4.373 3.873 0.628) 5.875 5.675 ( -1.764 -1.371 -0.353) 2.262 5.723 ( -1.079 -2.171 -0.847) 2.568 6.105 ( 1.939 -2.640 -4.254) 5.369 6.909 ( -4.279 -13.873 9.181) 17.177 7.899 ( -9.538 -1.546 -12.563) 15.849 ======================= Grid point 464 (167/288) ======================= q-point: ( 0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 3.440 11.241 -1.791) 11.891 2.234 ( 5.775 23.010 4.860) 24.216 2.987 ( 3.000 4.904 -3.753) 6.865 3.096 ( 11.998 11.927 -6.713) 18.201 3.649 ( 8.120 7.353 2.387) 11.212 4.242 ( 2.530 -1.825 4.707) 5.646 5.403 ( 3.032 4.666 1.715) 5.823 5.632 ( -0.937 -2.234 -1.386) 2.791 5.701 ( -0.137 1.344 -0.863) 1.603 6.071 ( 0.022 -3.410 -3.867) 5.156 6.693 ( -9.161 -12.805 5.440) 16.658 7.711 ( -5.669 -2.452 -7.266) 9.537 ======================= Grid point 465 (168/288) ======================= q-point: ( 0.57 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 5.027 9.336 -3.895) 11.296 2.540 ( 2.965 21.339 3.348) 21.803 3.044 ( -0.160 5.206 -2.188) 5.650 3.377 ( 9.831 9.152 -4.921) 14.305 3.797 ( 4.253 1.771 0.342) 4.620 4.277 ( 1.990 -3.101 5.595) 6.699 5.482 ( -0.415 5.386 2.383) 5.905 5.596 ( 0.007 -1.847 -2.095) 2.793 5.741 ( 2.651 2.733 -0.951) 3.925 6.046 ( 1.845 -1.855 -2.834) 3.857 6.402 ( -13.051 -8.989 1.453) 15.914 7.617 ( -0.401 -4.053 -2.087) 4.576 ======================= Grid point 466 (169/288) ======================= q-point: ( 0.64 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 4.808 7.050 -4.870) 9.826 2.765 ( -0.463 18.829 2.014) 18.942 3.065 ( -3.032 4.573 0.224) 5.491 3.544 ( 3.387 6.105 -6.479) 9.524 3.828 ( -1.159 -1.247 -1.742) 2.436 4.304 ( 3.371 -3.625 7.996) 9.404 5.501 ( -3.510 4.224 1.193) 5.620 5.601 ( 2.026 0.839 -0.826) 2.343 5.824 ( 3.901 2.683 -1.006) 4.841 6.047 ( -1.793 -3.749 -5.144) 6.613 6.157 ( -5.497 -2.100 4.338) 7.311 7.586 ( 2.113 -4.922 -0.393) 5.371 ======================= Grid point 467 (170/288) ======================= q-point: (-0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 2.739 3.968 -4.898) 6.873 2.902 ( -5.060 16.778 1.518) 17.590 3.025 ( -5.744 2.422 1.861) 6.505 3.581 ( -1.420 3.302 -9.163) 9.843 3.744 ( -3.097 -3.351 -1.732) 4.880 4.359 ( 1.903 -2.495 9.144) 9.667 5.471 ( -4.112 2.715 0.451) 4.949 5.662 ( 3.429 1.071 0.615) 3.645 5.878 ( -5.558 2.408 -2.748) 6.651 5.915 ( -0.149 0.925 -2.011) 2.219 6.192 ( 5.379 -2.181 3.428) 6.741 7.591 ( 4.395 -4.544 -0.164) 6.324 ======================= Grid point 468 (171/288) ======================= q-point: (-0.21 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( -1.321 0.262 -3.882) 4.109 2.835 ( -15.261 4.293 3.809) 16.305 3.020 ( -3.542 10.439 -0.088) 11.024 3.494 ( -4.181 -2.780 -8.587) 9.947 3.724 ( 2.398 0.881 -1.055) 2.764 4.330 ( -6.162 -3.671 7.238) 10.190 5.424 ( -3.913 1.531 0.677) 4.256 5.692 ( -0.234 -1.958 -0.432) 2.019 5.813 ( -3.560 4.666 -0.278) 5.876 5.957 ( 1.640 4.046 -3.222) 5.426 6.280 ( 6.501 -2.405 2.298) 7.302 7.659 ( 8.425 -3.351 0.315) 9.073 ======================= Grid point 469 (172/288) ======================= q-point: (-0.14 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -7.157 -3.185 -2.203) 8.138 2.566 ( -19.956 -0.196 4.037) 20.362 3.039 ( -6.045 9.870 -1.612) 11.686 3.377 ( -2.462 -4.744 -5.054) 7.356 3.800 ( 3.720 2.528 -3.444) 5.665 4.119 ( -15.158 -5.054 6.971) 17.433 5.379 ( -3.439 1.174 1.260) 3.846 5.662 ( -0.788 0.031 -1.428) 1.631 5.785 ( -3.659 1.420 -0.049) 3.925 6.034 ( 3.472 4.182 -3.308) 6.363 6.388 ( 7.676 -0.567 1.637) 7.869 7.807 ( 11.938 -2.526 -0.215) 12.204 ======================= Grid point 476 (173/288) ======================= q-point: ( 0.36 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 0.000 15.026 4.262) 15.619 1.732 ( 0.000 18.435 4.332) 18.937 2.653 ( -0.000 27.707 -7.444) 28.690 2.717 ( -0.000 1.607 -3.138) 3.526 3.217 ( 0.000 14.119 5.336) 15.093 4.198 ( 0.000 -2.231 0.093) 2.233 5.193 ( -0.000 3.981 0.365) 3.997 5.720 ( -0.000 -3.598 -0.727) 3.670 5.730 ( 0.000 -1.773 0.080) 1.775 6.041 ( -0.000 0.323 -3.713) 3.727 6.970 ( 0.000 -15.000 7.887) 16.947 8.104 ( -0.000 -1.682 -13.352) 13.457 ======================= Grid point 477 (174/288) ======================= q-point: ( 0.43 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -0.835 11.370 -0.775) 11.427 1.987 ( 7.491 18.570 3.335) 20.299 2.748 ( 3.154 7.452 -2.630) 8.509 2.899 ( 4.641 13.918 -10.668) 18.140 3.426 ( 3.401 17.119 7.164) 18.866 4.193 ( 0.416 -0.701 3.338) 3.436 5.267 ( 3.389 4.508 1.141) 5.755 5.673 ( -0.977 -3.317 -0.525) 3.498 5.714 ( -0.109 -0.979 -0.725) 1.223 6.039 ( 1.361 -2.127 -2.408) 3.490 6.834 ( -1.266 -15.339 6.682) 16.779 7.982 ( -6.509 -2.562 -11.711) 13.641 ======================= Grid point 478 (175/288) ======================= q-point: ( 0.50 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 1.152 9.073 -3.247) 9.705 2.342 ( 9.868 19.914 4.205) 22.619 2.907 ( 8.425 4.371 -2.581) 9.836 3.058 ( 4.634 11.824 -6.861) 14.434 3.647 ( 3.224 11.194 2.143) 11.845 4.222 ( 0.924 1.168 5.467) 5.666 5.389 ( 4.602 4.982 2.027) 7.079 5.623 ( -1.176 -2.656 -1.007) 3.074 5.711 ( 0.206 1.087 -1.263) 1.679 6.020 ( 0.584 -3.333 -2.430) 4.166 6.674 ( -3.061 -14.463 4.903) 15.575 7.788 ( -8.562 -2.875 -8.293) 12.261 ======================= Grid point 479 (176/288) ======================= q-point: ( 0.57 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 3.465 8.178 -3.171) 9.431 2.693 ( 6.052 19.978 5.150) 21.501 3.052 ( 4.849 4.919 -5.023) 8.540 3.280 ( 10.403 9.205 -0.868) 13.918 3.760 ( 2.295 3.280 -0.427) 4.026 4.258 ( -0.418 0.538 3.885) 3.944 5.514 ( 3.193 4.303 3.146) 6.213 5.581 ( -0.671 -1.091 -1.937) 2.322 5.735 ( 0.891 2.563 -1.652) 3.177 5.994 ( 0.983 -2.102 -2.438) 3.365 6.477 ( -6.610 -11.506 2.094) 13.434 7.616 ( -5.229 -3.571 -3.597) 7.282 ======================= Grid point 480 (177/288) ======================= q-point: ( 0.64 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 3.909 7.055 -2.854) 8.555 2.948 ( 1.416 16.142 4.930) 16.937 3.144 ( 0.583 7.008 -2.713) 7.537 3.517 ( 6.732 7.226 -2.118) 10.101 3.817 ( 2.377 1.049 -0.766) 2.709 4.240 ( -0.094 -3.526 2.939) 4.591 5.546 ( -0.360 -0.443 -0.897) 1.063 5.616 ( 0.948 4.498 1.916) 4.980 5.773 ( 2.426 0.697 -1.325) 2.851 6.003 ( 1.779 0.061 -2.712) 3.244 6.266 ( -7.925 -5.882 1.228) 9.945 7.521 ( -0.809 -4.643 -0.684) 4.762 ======================= Grid point 481 (178/288) ======================= q-point: ( 0.71 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 2.517 5.106 -2.929) 6.402 3.096 ( -0.641 10.230 3.075) 10.702 3.177 ( -4.750 7.553 1.581) 9.061 3.619 ( 0.493 5.480 -4.352) 7.015 3.794 ( -6.538 0.827 -4.355) 7.900 4.270 ( 6.900 -4.878 5.916) 10.315 5.532 ( -1.352 0.533 -0.586) 1.567 5.656 ( -0.495 2.344 0.581) 2.465 5.834 ( 5.949 -1.850 -0.779) 6.279 6.000 ( -3.344 2.758 -2.047) 4.794 6.152 ( -1.734 -0.862 1.819) 2.657 7.485 ( 2.167 -4.981 -0.085) 5.433 ======================= Grid point 482 (179/288) ======================= q-point: (-0.21 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -0.333 2.597 -3.060) 4.027 3.074 ( -8.867 1.094 2.141) 9.188 3.219 ( -2.963 11.556 4.181) 12.641 3.574 ( -11.180 2.586 -8.178) 14.091 3.697 ( 0.979 -0.033 -0.499) 1.099 4.342 ( 2.796 -4.138 4.307) 6.595 5.497 ( -3.370 0.686 0.619) 3.494 5.663 ( 0.767 -1.006 -0.629) 1.413 5.902 ( 2.557 -0.862 -1.642) 3.159 5.977 ( -3.159 7.261 -0.892) 7.969 6.166 ( 3.806 -1.987 1.632) 4.593 7.502 ( 5.440 -4.102 -0.108) 6.814 ======================= Grid point 483 (180/288) ======================= q-point: (-0.14 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -4.600 0.202 -3.083) 5.542 2.877 ( -15.425 -1.196 3.258) 15.810 3.279 ( -6.219 12.570 2.947) 14.330 3.365 ( -7.079 -5.096 -5.427) 10.273 3.753 ( 3.500 2.554 -0.695) 4.388 4.278 ( -6.619 -4.699 2.272) 8.429 5.450 ( -3.403 0.899 2.094) 4.095 5.657 ( 0.177 -1.035 -1.474) 1.810 5.875 ( -4.139 0.520 -1.616) 4.474 6.022 ( 1.103 4.854 -2.344) 5.502 6.251 ( 7.651 -1.750 1.909) 8.077 7.593 ( 9.347 -2.775 -0.786) 9.782 ======================= Grid point 491 (181/288) ======================= q-point: ( 0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -0.000 7.690 -4.578) 8.950 2.067 ( -0.000 14.815 -1.841) 14.929 2.759 ( 0.000 3.689 0.962) 3.812 2.980 ( -0.000 14.451 -9.361) 17.218 3.601 ( 0.000 17.279 5.772) 18.217 4.213 ( 0.000 2.488 5.978) 6.475 5.283 ( 0.000 4.268 1.685) 4.589 5.648 ( 0.000 -3.092 -0.190) 3.098 5.705 ( -0.000 -0.225 -1.192) 1.214 6.003 ( -0.000 -2.346 -0.703) 2.449 6.713 ( 0.000 -14.863 4.031) 15.399 7.971 ( -0.000 -3.746 -10.278) 10.939 ======================= Grid point 492 (182/288) ======================= q-point: ( 0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 0.287 5.383 -6.297) 8.289 2.305 ( 12.237 13.330 -2.308) 18.242 2.839 ( 3.829 4.318 1.594) 5.987 3.098 ( 2.023 11.178 -4.675) 12.284 3.745 ( -0.572 9.138 2.440) 9.475 4.278 ( -0.482 6.807 6.286) 9.278 5.364 ( 3.988 3.909 2.061) 5.953 5.614 ( -0.841 -1.984 -0.440) 2.200 5.709 ( 0.571 1.188 -1.473) 1.977 5.980 ( 0.169 -2.803 0.178) 2.814 6.578 ( -0.947 -13.172 1.906) 13.343 7.852 ( -5.514 -4.081 -7.822) 10.404 ======================= Grid point 493 (183/288) ======================= q-point: ( 0.57 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 3.506 5.384 -4.141) 7.644 2.687 ( 16.732 13.760 -0.946) 21.684 2.964 ( 5.882 3.649 -0.418) 6.934 3.240 ( 4.652 8.174 0.585) 9.423 3.781 ( -1.139 1.569 1.193) 2.277 4.339 ( -3.057 7.042 2.684) 8.132 5.488 ( 4.951 2.753 2.596) 6.231 5.584 ( -0.869 0.044 -1.564) 1.789 5.739 ( 1.180 2.708 -1.419) 3.278 5.958 ( 0.349 -2.381 0.440) 2.447 6.436 ( -2.432 -11.001 0.189) 11.269 7.681 ( -7.202 -3.586 -4.372) 9.156 ======================= Grid point 494 (184/288) ======================= q-point: ( 0.64 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 4.674 5.425 -1.872) 7.402 3.040 ( 5.522 11.056 4.071) 13.012 3.120 ( 10.041 6.553 -6.227) 13.511 3.427 ( 9.674 4.696 3.646) 11.354 3.775 ( 1.055 -1.786 1.607) 2.624 4.309 ( -6.930 3.526 -1.109) 7.854 5.541 ( 0.221 -0.353 -0.269) 0.496 5.619 ( 2.752 2.531 1.534) 4.041 5.774 ( -0.500 2.571 -1.613) 3.076 5.966 ( 2.492 0.172 -0.399) 2.530 6.290 ( -3.502 -7.893 -0.261) 8.638 7.532 ( -5.193 -3.122 -1.373) 6.213 ======================= Grid point 495 (185/288) ======================= q-point: ( 0.71 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 3.503 4.438 -0.992) 5.741 3.167 ( 1.961 5.315 1.358) 5.826 3.277 ( 0.749 5.282 -0.551) 5.363 3.621 ( 4.230 4.238 -0.323) 5.996 3.853 ( 7.801 2.216 1.639) 8.274 4.185 ( -6.580 -2.051 -1.063) 6.973 5.545 ( 0.185 1.188 -0.939) 1.526 5.686 ( 2.797 0.431 2.450) 3.743 5.746 ( -2.309 -1.256 -1.585) 3.069 6.030 ( 2.171 3.463 -1.357) 4.307 6.186 ( -2.238 -3.175 0.620) 3.934 7.440 ( -1.915 -3.092 -0.145) 3.640 ======================= Grid point 496 (186/288) ======================= q-point: (-0.21 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 1.078 2.857 -1.152) 3.263 3.207 ( -4.388 2.552 0.642) 5.117 3.288 ( 0.601 -0.246 1.624) 1.749 3.681 ( 1.230 1.563 -0.304) 2.012 3.868 ( -14.821 9.535 -2.897) 17.860 4.180 ( 10.730 -7.061 1.926) 12.988 5.555 ( -1.280 1.935 0.872) 2.478 5.666 ( -3.057 -0.531 -1.580) 3.482 5.775 ( 7.162 -2.567 -0.031) 7.608 6.076 ( -0.359 3.465 0.309) 3.498 6.146 ( -1.460 -0.311 -0.138) 1.499 7.409 ( 1.572 -2.312 -0.013) 2.796 ======================= Grid point 497 (187/288) ======================= q-point: (-0.14 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( -2.239 1.530 -1.939) 3.334 3.082 ( -10.215 -1.612 1.698) 10.480 3.298 ( 0.737 -4.179 -0.149) 4.247 3.634 ( -12.023 4.481 0.026) 12.831 3.753 ( -2.337 5.829 1.736) 6.516 4.254 ( 3.645 -5.528 -1.428) 6.773 5.532 ( -3.908 1.682 2.897) 5.147 5.634 ( 0.493 -0.799 -2.033) 2.239 5.862 ( 3.869 -0.781 -3.084) 5.009 6.088 ( -2.732 3.206 0.304) 4.223 6.132 ( 3.401 -2.722 0.756) 4.421 7.453 ( 5.145 -0.284 -0.335) 5.163 ======================= Grid point 506 (188/288) ======================= q-point: ( 0.50 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -0.000 2.725 -7.569) 8.045 2.280 ( -0.000 9.440 -4.156) 10.314 2.864 ( 0.000 5.062 3.029) 5.899 3.171 ( -0.000 9.319 -1.549) 9.446 3.817 ( 0.000 2.191 2.541) 3.355 4.392 ( 0.000 10.609 4.481) 11.517 5.363 ( 0.000 2.322 1.747) 2.906 5.608 ( -0.000 -0.667 -0.104) 0.676 5.714 ( -0.000 2.136 -1.462) 2.588 5.956 ( 0.000 -3.089 2.435) 3.933 6.477 ( 0.000 -9.483 -1.167) 9.554 7.832 ( -0.000 -4.757 -6.213) 7.825 ======================= Grid point 507 (189/288) ======================= q-point: ( 0.57 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 2.791 3.270 -4.279) 6.066 2.481 ( 14.800 7.527 -3.533) 16.976 2.944 ( 2.725 4.390 2.290) 5.652 3.264 ( 1.765 6.775 1.358) 7.131 3.810 ( -1.363 -2.002 2.495) 3.477 4.480 ( -2.634 9.075 0.668) 9.473 5.427 ( 4.666 1.194 1.128) 4.947 5.600 ( -0.868 1.107 -0.777) 1.607 5.743 ( 0.961 2.866 -0.578) 3.077 5.932 ( 0.132 -4.063 3.522) 5.379 6.383 ( -1.860 -5.576 -3.023) 6.610 7.732 ( -4.330 -4.020 -3.745) 6.995 ======================= Grid point 508 (190/288) ======================= q-point: ( 0.64 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 5.233 4.117 -0.581) 6.684 2.859 ( 21.715 6.645 -3.823) 23.029 3.048 ( 4.231 3.358 1.285) 5.552 3.368 ( 3.745 3.224 4.352) 6.585 3.765 ( -1.485 -3.300 2.267) 4.271 4.473 ( -6.370 5.707 -2.662) 8.958 5.512 ( 3.314 -0.657 0.608) 3.433 5.613 ( 0.786 3.246 -1.243) 3.564 5.795 ( 1.519 3.120 0.197) 3.475 5.915 ( 1.881 -3.846 3.047) 5.255 6.281 ( -3.846 -3.402 -3.101) 5.998 7.602 ( -6.013 -2.300 -1.365) 6.581 ======================= Grid point 509 (191/288) ======================= q-point: ( 0.71 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 4.807 3.432 0.995) 5.989 3.142 ( 4.978 1.602 -0.923) 5.310 3.232 ( 11.721 5.157 -4.460) 13.559 3.510 ( 11.270 0.491 6.319) 12.930 3.726 ( 0.933 -4.146 2.483) 4.921 4.366 ( -10.033 3.534 -3.586) 11.226 5.537 ( 1.328 -0.051 -0.907) 1.609 5.648 ( 0.599 -0.094 1.219) 1.361 5.821 ( -2.982 2.786 0.404) 4.101 5.976 ( 6.705 0.110 0.430) 6.720 6.184 ( -2.870 -2.254 -1.300) 3.874 7.486 ( -5.441 -0.961 -0.174) 5.528 ======================= Grid point 510 (192/288) ======================= q-point: (-0.21 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 2.852 1.872 0.924) 3.534 3.214 ( 3.884 -1.893 -0.710) 4.379 3.302 ( -2.262 0.179 -1.104) 2.523 3.679 ( 0.887 1.840 0.047) 2.043 3.842 ( 18.646 -6.217 2.313) 19.791 4.196 ( -12.977 4.012 -1.304) 13.646 5.568 ( 2.007 1.136 -1.618) 2.817 5.649 ( 1.418 -3.400 1.728) 4.069 5.771 ( -5.177 3.486 0.773) 6.288 6.083 ( 3.018 2.246 -1.148) 3.933 6.142 ( 0.247 -1.931 0.674) 2.060 7.409 ( -2.763 0.159 0.023) 2.767 ======================= Grid point 511 (193/288) ======================= q-point: (-0.14 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 0.461 0.799 -0.000) 0.922 3.199 ( -3.102 -5.372 -0.000) 6.203 3.235 ( -1.798 -3.114 0.000) 3.596 3.695 ( 0.241 0.417 -0.000) 0.482 3.967 ( -3.140 -5.439 -0.000) 6.280 4.099 ( 2.276 3.942 0.000) 4.552 5.600 ( 0.694 1.202 -0.000) 1.388 5.621 ( -1.689 -2.926 0.000) 3.379 5.789 ( 2.698 4.674 0.000) 5.397 6.090 ( -1.184 -2.050 0.000) 2.367 6.136 ( -0.541 -0.937 -0.000) 1.082 7.409 ( 1.388 2.403 -0.000) 2.775 ======================= Grid point 522 (194/288) ======================= q-point: ( 0.57 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -0.000 3.521 -1.328) 3.763 2.402 ( -0.000 5.662 -1.594) 5.882 2.961 ( 0.000 2.655 1.234) 2.928 3.313 ( 0.000 4.662 2.554) 5.316 3.801 ( 0.000 -3.741 2.559) 4.532 4.579 ( -0.000 6.420 -2.189) 6.782 5.390 ( -0.000 0.033 -0.057) 0.066 5.625 ( -0.000 2.532 -0.322) 2.552 5.761 ( -0.000 2.807 -0.027) 2.807 5.892 ( 0.000 -6.442 4.409) 7.806 6.365 ( -0.000 -0.002 -4.385) 4.385 7.722 ( -0.000 -3.174 -2.143) 3.830 ======================= Grid point 523 (195/288) ======================= q-point: ( 0.64 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 3.372 4.533 2.557) 6.202 2.580 ( 14.841 4.403 -0.420) 15.486 3.004 ( 2.982 0.410 -0.160) 3.014 3.368 ( 1.327 1.975 4.087) 4.729 3.762 ( -1.096 -3.437 1.933) 4.093 4.585 ( -3.123 2.728 -4.688) 6.259 5.429 ( 4.621 -0.764 -0.829) 4.756 5.648 ( -0.656 4.206 -0.867) 4.344 5.790 ( 0.765 0.040 1.897) 2.045 5.853 ( 1.562 -4.881 2.982) 5.930 6.333 ( -3.606 1.765 -3.947) 5.630 7.666 ( -3.588 -0.867 -0.480) 3.723 ======================= Grid point 524 (196/288) ======================= q-point: (-0.29 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 4.304 3.351 3.860) 6.683 2.936 ( 21.533 3.368 -1.757) 21.865 3.060 ( 4.845 -2.480 -1.463) 5.636 3.421 ( 2.567 -1.284 6.410) 7.023 3.717 ( -1.437 -2.069 1.050) 2.729 4.505 ( -5.626 0.060 -5.296) 7.727 5.487 ( 3.307 -1.727 -1.064) 3.880 5.673 ( -1.431 2.826 -0.324) 3.184 5.827 ( 6.749 -2.239 1.998) 7.386 5.873 ( 1.017 0.396 2.012) 2.289 6.256 ( -5.780 1.966 -2.664) 6.661 7.586 ( -5.953 1.265 0.297) 6.093 ======================= Grid point 525 (197/288) ======================= q-point: (-0.21 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 3.477 0.767 3.185) 4.777 3.095 ( 4.803 -6.153 -2.235) 8.119 3.265 ( 11.160 2.754 -5.136) 12.590 3.495 ( 10.599 -7.548 7.870) 15.206 3.693 ( -0.483 0.955 0.326) 1.119 4.378 ( -7.019 -0.762 -2.949) 7.651 5.509 ( 2.585 -2.000 -1.698) 3.683 5.653 ( -1.771 -0.118 1.364) 2.238 5.880 ( -2.327 1.577 2.649) 3.862 5.974 ( 9.162 0.266 0.069) 9.167 6.181 ( -4.532 2.463 -1.356) 5.333 7.500 ( -6.179 2.533 0.314) 6.685 ======================= Grid point 537 (198/288) ======================= q-point: (-0.36 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 0.000 5.696 6.342) 8.525 2.487 ( 0.000 2.814 1.896) 3.393 2.966 ( -0.000 -2.130 -1.425) 2.562 3.383 ( 0.000 0.337 4.835) 4.846 3.747 ( 0.000 -2.475 1.158) 2.732 4.597 ( -0.000 -1.557 -6.839) 7.014 5.372 ( -0.000 -1.023 -1.632) 1.926 5.695 ( 0.000 3.633 0.612) 3.684 5.783 ( 0.000 -5.193 2.139) 5.616 5.804 ( 0.000 0.832 1.219) 1.476 6.376 ( -0.000 2.470 -3.319) 4.137 7.702 ( 0.000 1.955 0.485) 2.014 ======================= Grid point 538 (199/288) ======================= q-point: (-0.29 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 1.265 3.835 6.971) 8.056 2.641 ( 14.246 0.521 1.874) 14.378 2.955 ( 2.943 -4.001 -2.186) 5.427 3.404 ( 0.738 -1.261 6.357) 6.523 3.726 ( -0.817 -0.744 0.295) 1.144 4.520 ( -1.892 -5.419 -7.715) 9.616 5.396 ( 4.167 -1.580 -1.842) 4.822 5.718 ( 1.950 -5.281 2.609) 6.205 5.740 ( -2.189 4.399 -0.336) 4.925 5.854 ( 2.974 1.287 1.772) 3.693 6.356 ( -3.731 2.386 -2.324) 5.002 7.703 ( -4.014 4.496 0.738) 6.073 ======================= Grid point 539 (200/288) ======================= q-point: (-0.21 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 1.775 -0.349 5.132) 5.441 2.872 ( 12.565 -10.414 -3.525) 16.696 3.021 ( 11.607 1.208 -0.104) 11.670 3.415 ( 0.102 -3.660 7.223) 8.098 3.717 ( -0.556 2.005 0.237) 2.094 4.396 ( -1.989 -7.822 -6.051) 10.087 5.436 ( 3.113 -2.397 -1.722) 4.290 5.683 ( -1.261 -1.871 1.431) 2.671 5.811 ( 6.028 -0.170 0.111) 6.031 5.926 ( 2.143 3.241 3.039) 4.933 6.300 ( -5.322 3.885 -1.715) 6.809 7.658 ( -7.227 5.707 0.548) 9.225 ======================= Grid point 552 (201/288) ======================= q-point: (-0.29 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 0.000 1.990 7.326) 7.592 2.512 ( 0.000 -3.167 2.477) 4.020 2.880 ( -0.000 -4.295 -1.822) 4.666 3.409 ( 0.000 -1.394 7.833) 7.956 3.733 ( -0.000 0.913 -0.128) 0.921 4.424 ( -0.000 -10.964 -9.360) 14.416 5.336 ( -0.000 -1.381 -1.841) 2.302 5.665 ( 0.000 -4.039 2.135) 4.569 5.804 ( 0.000 -1.719 1.333) 2.175 5.842 ( -0.000 6.851 0.552) 6.874 6.403 ( -0.000 2.420 -1.604) 2.903 7.799 ( -0.000 7.269 0.483) 7.285 ======================= Grid point 553 (202/288) ======================= q-point: (-0.21 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( -0.699 -3.098 4.789) 5.746 2.552 ( 9.885 -11.121 -1.678) 14.974 2.887 ( 5.306 -1.123 0.782) 5.479 3.417 ( -0.581 -2.490 8.105) 8.499 3.750 ( -0.117 3.200 1.080) 3.379 4.267 ( 0.577 -14.937 -8.991) 17.444 5.350 ( 3.384 -1.872 -1.491) 4.145 5.653 ( 1.310 -2.321 1.754) 3.191 5.777 ( -0.425 -1.108 0.420) 1.259 5.936 ( 2.221 5.702 2.252) 6.521 6.403 ( -2.865 4.100 -1.239) 5.153 7.836 ( -4.928 8.513 -0.066) 9.837 ======================= Grid point 567 (203/288) ======================= q-point: (-0.21 -0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 0.000 -8.473 1.544) 8.612 2.338 ( -0.000 -14.630 -2.504) 14.843 2.835 ( 0.000 -0.458 2.451) 2.493 3.424 ( 0.000 -3.242 7.616) 8.277 3.787 ( 0.000 1.163 4.714) 4.855 4.061 ( -0.000 -16.982 -10.891) 20.174 5.299 ( -0.000 -1.509 -0.714) 1.669 5.636 ( 0.000 0.043 1.577) 1.577 5.761 ( 0.000 -2.924 0.412) 2.953 5.987 ( 0.000 6.693 2.474) 7.136 6.470 ( -0.000 5.544 -0.959) 5.626 7.968 ( -0.000 9.823 -1.216) 9.898 ======================= Grid point 644 (204/288) ======================= q-point: ( 0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 0.000 -0.000 21.610) 21.610 0.707 ( 0.000 -0.000 21.610) 21.610 1.147 ( 0.000 -0.000 36.028) 36.028 2.766 ( -0.000 0.000 -5.368) 5.368 2.766 ( -0.000 0.000 -5.368) 5.368 4.769 ( -0.000 0.000 -17.860) 17.860 5.113 ( -0.000 0.000 -1.235) 1.235 5.113 ( -0.000 0.000 -1.235) 1.235 5.799 ( 0.000 -0.000 1.437) 1.437 5.799 ( 0.000 -0.000 1.437) 1.437 7.330 ( 0.000 -0.000 9.266) 9.266 8.093 ( -0.000 0.000 -3.096) 3.096 ======================= Grid point 645 (205/288) ======================= q-point: ( 0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 7.303 4.216 17.663) 19.573 0.945 ( 7.498 4.329 22.860) 24.445 1.513 ( 21.371 12.338 19.643) 31.540 2.785 ( 1.991 1.150 -5.058) 5.556 2.790 ( 5.167 2.983 -4.355) 7.387 4.421 ( -8.650 -4.994 -6.794) 12.080 5.142 ( 2.105 1.215 -1.157) 2.692 5.692 ( 23.224 13.409 -16.074) 31.266 5.774 ( -2.079 -1.200 1.403) 2.780 5.840 ( 4.397 2.538 -3.633) 6.243 7.330 ( -3.192 -1.843 9.650) 10.330 8.105 ( 0.312 0.180 -10.045) 10.051 ======================= Grid point 646 (206/288) ======================= q-point: ( 0.36 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 14.028 8.099 11.017) 19.590 1.178 ( 7.414 4.280 17.513) 19.494 2.090 ( 25.210 14.555 0.378) 29.113 2.821 ( 2.526 1.458 -4.464) 5.333 2.981 ( 12.055 6.960 2.161) 14.086 4.296 ( -1.865 -1.077 -6.058) 6.429 5.199 ( 3.298 1.904 -1.069) 3.955 5.720 ( -2.891 -1.669 1.304) 3.583 5.813 ( -0.986 -0.569 -0.184) 1.153 6.067 ( 10.487 6.055 -11.712) 16.847 7.250 ( -6.841 -3.949 11.767) 14.172 8.000 ( -5.560 -3.210 -15.392) 16.677 ======================= Grid point 647 (207/288) ======================= q-point: ( 0.43 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 8.756 5.055 7.072) 12.338 1.478 ( 16.246 9.380 6.099) 19.726 2.608 ( 21.985 12.693 -8.597) 26.802 2.866 ( 2.670 1.542 -3.536) 4.692 3.313 ( 14.952 8.633 7.228) 18.717 4.273 ( 0.805 0.465 -2.268) 2.452 5.279 ( 3.791 2.189 -0.646) 4.425 5.664 ( -2.143 -1.237 0.887) 2.628 5.761 ( -2.943 -1.699 -1.113) 3.576 6.167 ( 1.385 0.800 -5.890) 6.103 7.094 ( -11.341 -6.547 12.133) 17.852 7.808 ( -5.503 -3.177 -14.950) 16.244 ======================= Grid point 648 (208/288) ======================= q-point: ( 0.50 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 10.029 5.790 -0.868) 11.613 1.852 ( 15.421 8.903 2.690) 18.009 2.914 ( 2.337 1.349 -2.236) 3.505 3.019 ( 17.190 9.925 -8.499) 21.593 3.636 ( 11.004 6.353 5.216) 13.735 4.309 ( 2.015 1.163 2.664) 3.536 5.348 ( 1.981 1.144 0.565) 2.356 5.648 ( 1.051 0.607 -0.250) 1.239 5.694 ( -2.389 -1.379 -1.309) 3.053 6.128 ( -2.160 -1.247 -3.907) 4.635 6.797 ( -17.148 -9.900 5.032) 20.430 7.703 ( -0.865 -0.499 -6.635) 6.709 ======================= Grid point 649 (209/288) ======================= q-point: ( 0.57 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 10.103 5.833 -5.326) 12.825 2.173 ( 12.479 7.205 0.169) 14.410 2.952 ( 1.335 0.771 -0.611) 1.658 3.315 ( 11.327 6.540 -7.543) 15.099 3.822 ( 4.415 2.549 2.576) 5.712 4.359 ( 0.828 0.478 6.158) 6.232 5.366 ( -0.472 -0.273 1.696) 1.782 5.650 ( -1.031 -0.595 -2.035) 2.358 5.707 ( 3.912 2.258 -1.270) 4.692 6.100 ( 1.187 0.686 -1.213) 1.830 6.410 ( -16.950 -9.786 0.239) 19.573 7.691 ( 0.262 0.151 -1.235) 1.271 ======================= Grid point 650 (210/288) ======================= q-point: ( 0.64 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 8.853 5.111 -7.370) 12.603 2.405 ( 8.408 4.855 -1.739) 9.864 2.963 ( -0.563 -0.325 1.078) 1.259 3.476 ( 5.541 3.199 -8.041) 10.276 3.853 ( -1.769 -1.022 -0.546) 2.115 4.391 ( -0.088 -0.051 9.951) 9.951 5.352 ( -1.034 -0.597 1.957) 2.292 5.644 ( 1.486 0.858 -1.844) 2.519 5.789 ( 3.262 1.883 -1.446) 4.034 6.065 ( -11.508 -6.644 -4.733) 14.106 6.184 ( 3.764 2.173 5.387) 6.922 7.692 ( 0.139 0.080 -0.308) 0.348 ======================= Grid point 651 (211/288) ======================= q-point: (-0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 5.935 3.427 -7.242) 9.971 2.534 ( 3.563 2.057 -2.664) 4.902 2.930 ( -2.829 -1.633 2.085) 3.875 3.525 ( 1.710 0.988 -9.467) 9.671 3.775 ( -3.535 -2.041 -1.604) 4.386 4.408 ( -2.350 -1.357 11.890) 12.195 5.336 ( -0.983 -0.567 1.826) 2.150 5.713 ( 4.942 2.853 -1.112) 5.814 5.831 ( 0.775 0.447 -1.302) 1.580 5.834 ( -7.815 -4.512 -2.601) 9.391 6.298 ( 4.096 2.365 4.087) 6.251 7.710 ( 2.011 1.161 -0.277) 2.338 ======================= Grid point 652 (212/288) ======================= q-point: (-0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 0.305 0.176 -4.915) 4.928 2.529 ( -4.103 -2.369 -0.952) 4.832 2.867 ( -2.472 -1.427 0.586) 2.914 3.498 ( -1.091 -0.630 -10.027) 10.106 3.736 ( 1.014 0.586 -0.915) 1.487 4.324 ( -9.273 -5.354 10.757) 15.178 5.320 ( -0.961 -0.555 1.439) 1.817 5.689 ( -4.069 -2.349 -2.534) 5.339 5.815 ( -1.679 -0.969 -0.989) 2.176 5.848 ( 6.643 3.835 -0.736) 7.706 6.384 ( 2.934 1.694 2.272) 4.080 7.798 ( 5.864 3.386 0.775) 6.816 ======================= Grid point 659 (213/288) ======================= q-point: ( 0.29 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 0.000 14.056 18.294) 23.070 1.033 ( 0.000 13.789 15.599) 20.820 1.554 ( 0.000 18.354 23.066) 29.477 2.710 ( -0.000 -0.444 -5.884) 5.900 2.819 ( -0.000 7.205 -4.453) 8.470 4.396 ( -0.000 -10.360 -7.808) 12.973 5.101 ( -0.000 0.613 -1.018) 1.188 5.634 ( -0.000 26.072 -15.144) 30.151 5.802 ( 0.000 -1.170 1.270) 1.727 5.815 ( -0.000 2.047 -1.284) 2.416 7.358 ( 0.000 -4.361 9.640) 10.580 8.102 ( -0.000 2.895 -9.786) 10.205 ======================= Grid point 660 (214/288) ======================= q-point: ( 0.36 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 2.226 17.544 11.808) 21.265 1.256 ( 2.102 12.433 18.381) 22.290 1.930 ( 13.315 21.171 4.699) 25.448 2.748 ( 5.542 0.643 -4.642) 7.258 2.919 ( 4.556 9.603 -0.511) 10.642 4.279 ( -1.321 -3.639 -6.823) 7.845 5.147 ( 3.723 1.125 -0.883) 3.989 5.754 ( -2.141 -1.314 0.846) 2.651 5.805 ( 0.923 -0.732 0.155) 1.188 5.928 ( 8.930 11.674 -12.067) 19.017 7.308 ( -2.711 -7.763 10.762) 13.544 8.041 ( -5.339 0.672 -13.870) 14.878 ======================= Grid point 661 (215/288) ======================= q-point: ( 0.43 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 3.791 11.023 8.708) 14.550 1.483 ( 4.303 19.071 11.341) 22.601 2.381 ( 17.747 17.831 -7.929) 26.378 2.830 ( 3.538 2.851 -4.847) 6.643 3.182 ( 12.952 10.106 6.344) 17.610 4.241 ( 1.179 -0.791 -3.871) 4.123 5.230 ( 4.280 2.424 -0.759) 4.977 5.699 ( -2.734 -1.361 1.021) 3.220 5.774 ( -1.607 -2.707 -1.002) 3.304 6.097 ( 5.405 2.346 -6.444) 8.732 7.192 ( -5.359 -10.627 12.422) 17.203 7.863 ( -8.715 -0.417 -15.449) 17.742 ======================= Grid point 662 (216/288) ======================= q-point: ( 0.50 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 4.161 9.298 3.161) 10.665 1.818 ( 7.772 20.270 5.690) 22.442 2.808 ( 17.487 13.663 -8.093) 23.621 2.895 ( 2.285 3.818 -4.201) 6.119 3.518 ( 12.605 7.638 5.328) 15.672 4.271 ( 3.210 0.065 0.430) 3.239 5.326 ( 3.551 3.378 -0.195) 4.905 5.654 ( -1.431 -0.460 0.484) 1.579 5.711 ( -2.114 -2.221 -1.200) 3.293 6.116 ( -0.039 -2.202 -4.646) 5.142 6.968 ( -12.506 -12.645 7.819) 19.428 7.705 ( -3.696 -0.030 -9.109) 9.831 ======================= Grid point 663 (217/288) ======================= q-point: ( 0.57 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 6.150 8.792 -1.734) 10.869 2.147 ( 6.620 18.738 2.924) 20.087 2.950 ( 1.290 3.722 -2.412) 4.619 3.166 ( 13.236 10.258 -6.604) 18.001 3.756 ( 7.600 3.231 2.521) 8.635 4.335 ( 3.340 -0.785 3.649) 5.008 5.396 ( 0.221 3.636 1.003) 3.779 5.634 ( -0.285 -2.230 -1.387) 2.642 5.688 ( 1.105 2.146 -0.766) 2.532 6.074 ( 0.309 -1.833 -3.183) 3.686 6.605 ( -17.037 -11.087 1.652) 20.394 7.666 ( 0.815 -1.489 -1.632) 2.355 ======================= Grid point 664 (218/288) ======================= q-point: ( 0.64 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 6.696 7.630 -4.808) 11.233 2.411 ( 3.494 16.511 0.726) 16.892 2.988 ( -0.376 3.183 -0.455) 3.238 3.395 ( 6.854 6.615 -6.852) 11.733 3.849 ( 1.289 -0.707 0.273) 1.495 4.386 ( 2.743 -1.888 6.718) 7.498 5.413 ( -2.755 4.012 1.722) 5.163 5.610 ( 1.033 -1.544 -1.653) 2.486 5.758 ( 3.258 3.422 -1.259) 4.889 6.085 ( 2.209 -1.381 -4.575) 5.264 6.254 ( -12.488 -6.430 3.818) 14.556 7.664 ( 1.414 -2.862 0.244) 3.202 ======================= Grid point 665 (219/288) ======================= q-point: ( 0.71 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 5.807 5.587 -6.544) 10.381 2.586 ( -0.489 14.312 -0.990) 14.354 2.987 ( -3.018 1.812 1.421) 3.796 3.488 ( 1.770 3.294 -7.876) 8.719 3.801 ( -3.101 -3.029 -1.909) 4.736 4.438 ( 1.627 -1.898 9.938) 10.248 5.401 ( -3.683 3.812 1.737) 5.578 5.644 ( 4.097 0.494 -0.563) 4.165 5.827 ( 1.231 2.693 -1.809) 3.470 5.930 ( -8.963 -3.785 -4.108) 10.561 6.237 ( 5.261 -0.574 5.051) 7.316 7.664 ( 2.299 -2.773 -0.212) 3.609 ======================= Grid point 666 (220/288) ======================= q-point: (-0.21 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 3.065 2.225 -6.582) 7.594 2.656 ( -6.219 11.198 -1.247) 12.870 2.934 ( -4.794 0.744 1.941) 5.225 3.480 ( -1.122 0.373 -9.031) 9.108 3.731 ( -0.863 -1.474 -0.702) 1.847 4.432 ( -4.129 -3.602 9.916) 11.329 5.378 ( -3.577 2.979 1.631) 4.932 5.737 ( 4.226 -1.098 0.334) 4.379 5.746 ( -4.989 -0.192 -3.046) 5.848 5.872 ( -0.500 3.757 -1.769) 4.183 6.330 ( 4.834 -1.413 3.041) 5.883 7.707 ( 5.839 -1.306 -0.181) 5.986 ======================= Grid point 674 (221/288) ======================= q-point: ( 0.36 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 0.000 15.549 13.398) 20.525 1.409 ( 0.000 16.377 7.979) 18.217 2.088 ( -0.000 26.447 2.655) 26.580 2.679 ( -0.000 0.945 -4.335) 4.437 2.985 ( -0.000 11.412 0.655) 11.430 4.234 ( -0.000 -2.845 -5.516) 6.207 5.127 ( -0.000 2.615 -0.134) 2.619 5.772 ( 0.000 -1.462 -0.144) 1.470 5.773 ( 0.000 -2.273 0.573) 2.344 5.934 ( -0.000 10.183 -8.088) 13.005 7.269 ( 0.000 -11.528 10.334) 15.481 8.055 ( -0.000 0.996 -14.842) 14.876 ======================= Grid point 675 (222/288) ======================= q-point: ( 0.43 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -0.166 13.087 6.668) 14.689 1.644 ( 4.417 17.566 8.165) 19.868 2.366 ( 4.611 23.922 -7.385) 25.457 2.750 ( 6.457 2.580 -4.263) 8.156 3.158 ( 5.440 13.310 6.003) 15.581 4.206 ( 0.579 -0.537 -2.746) 2.858 5.189 ( 3.335 3.471 0.217) 4.819 5.725 ( -1.902 -2.077 0.357) 2.839 5.758 ( -0.214 -3.127 -0.627) 3.196 6.025 ( 3.742 3.584 -4.347) 6.764 7.162 ( -1.620 -14.369 10.659) 17.964 7.953 ( -6.652 0.436 -15.277) 16.668 ======================= Grid point 676 (223/288) ======================= q-point: ( 0.50 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 0.610 10.036 1.914) 10.235 1.951 ( 6.168 21.540 6.693) 23.383 2.681 ( 11.483 17.970 -6.967) 22.435 2.863 ( 4.593 4.212 -5.954) 8.619 3.434 ( 8.996 11.267 5.592) 15.464 4.226 ( 2.130 0.458 0.696) 2.288 5.297 ( 4.350 4.622 0.444) 6.363 5.674 ( -1.840 -2.124 0.228) 2.819 5.714 ( -1.150 -2.003 -1.013) 2.522 6.067 ( 1.493 -1.886 -3.391) 4.158 7.000 ( -4.712 -15.922 9.097) 18.933 7.777 ( -7.992 0.424 -11.809) 14.265 ======================= Grid point 677 (224/288) ======================= q-point: ( 0.57 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 2.835 9.507 -0.622) 9.940 2.286 ( 4.859 22.943 5.493) 24.087 2.946 ( 3.344 4.494 -4.324) 7.077 3.038 ( 12.870 13.927 -4.912) 19.589 3.669 ( 7.343 5.518 1.664) 9.335 4.280 ( 2.955 -0.409 2.865) 4.136 5.416 ( 3.197 5.561 0.930) 6.482 5.622 ( -1.357 -2.764 -0.728) 3.164 5.693 ( -0.044 1.117 -0.702) 1.320 6.036 ( 0.004 -2.962 -3.231) 4.383 6.739 ( -11.176 -14.021 3.604) 18.289 7.652 ( -2.899 -1.410 -4.292) 5.368 ======================= Grid point 678 (225/288) ======================= q-point: ( 0.64 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 4.070 8.912 -2.103) 10.021 2.578 ( 1.577 21.981 4.278) 22.449 3.020 ( 1.332 5.130 -2.705) 5.951 3.329 ( 8.527 10.248 -4.699) 14.135 3.800 ( 4.178 0.750 0.182) 4.249 4.323 ( 3.100 -2.973 3.762) 5.710 5.502 ( -0.520 5.909 1.525) 6.125 5.579 ( -0.077 -1.981 -1.314) 2.378 5.733 ( 2.670 2.612 -0.798) 3.820 6.017 ( 1.896 -1.846 -2.946) 3.960 6.416 ( -13.269 -9.003 1.321) 16.089 7.606 ( 0.731 -4.043 -0.086) 4.110 ======================= Grid point 679 (226/288) ======================= q-point: ( 0.71 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 3.724 7.463 -3.607) 9.087 2.789 ( -2.018 19.960 2.921) 20.273 3.064 ( -1.641 4.802 -0.309) 5.084 3.479 ( 2.097 6.447 -6.487) 9.383 3.809 ( -1.811 -2.326 -2.072) 3.603 4.377 ( 5.353 -3.691 6.809) 9.415 5.510 ( -3.312 3.003 0.666) 4.520 5.598 ( 2.129 2.091 0.160) 2.988 5.813 ( 3.445 2.796 -1.275) 4.616 5.997 ( -3.052 -2.688 -4.974) 6.425 6.202 ( -3.321 -3.168 4.566) 6.474 7.586 ( 2.060 -5.065 0.240) 5.473 ======================= Grid point 680 (227/288) ======================= q-point: (-0.21 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 2.069 4.922 -4.843) 7.208 2.918 ( -6.068 18.579 1.790) 19.627 3.043 ( -5.376 2.538 1.834) 6.221 3.494 ( -2.496 2.611 -8.319) 9.069 3.729 ( -1.957 -2.807 -1.359) 3.682 4.442 ( 2.419 -3.836 7.509) 8.772 5.477 ( -3.696 2.104 0.874) 4.342 5.668 ( 3.424 1.058 0.537) 3.623 5.851 ( -5.535 3.307 -2.658) 6.974 5.894 ( -0.108 1.113 -2.205) 2.472 6.226 ( 5.115 -3.079 3.352) 6.847 7.589 ( 4.374 -4.463 -0.272) 6.255 ======================= Grid point 689 (228/288) ======================= q-point: ( 0.43 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 0.000 10.106 3.527) 10.703 1.757 ( -0.000 16.248 0.617) 16.260 2.562 ( -0.000 24.188 -10.202) 26.251 2.697 ( -0.000 2.785 -0.665) 2.863 3.284 ( 0.000 16.324 7.726) 18.060 4.199 ( -0.000 0.931 -0.051) 0.933 5.200 ( 0.000 4.412 1.090) 4.544 5.716 ( 0.000 -3.609 -0.079) 3.610 5.728 ( -0.000 -2.197 -0.533) 2.261 6.014 ( -0.000 1.732 -1.737) 2.453 7.053 ( 0.000 -16.831 8.869) 19.025 7.964 ( -0.000 -0.031 -14.719) 14.719 ======================= Grid point 690 (229/288) ======================= q-point: ( 0.50 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -0.789 7.845 -2.296) 8.212 2.006 ( 9.739 16.360 0.313) 19.042 2.728 ( 2.158 13.643 -1.784) 13.928 2.810 ( 5.016 10.064 -6.642) 13.060 3.493 ( 2.343 15.571 6.148) 16.904 4.223 ( 0.472 2.207 2.743) 3.553 5.280 ( 3.317 5.008 1.429) 6.175 5.671 ( -1.062 -3.473 0.086) 3.633 5.705 ( -0.171 -1.265 -1.114) 1.694 6.023 ( 0.758 -1.408 -0.871) 1.821 6.903 ( -0.916 -17.750 7.174) 19.167 7.863 ( -5.858 -0.389 -12.259) 13.592 ======================= Grid point 691 (230/288) ======================= q-point: ( 0.57 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 2.059 7.515 -2.951) 8.332 2.372 ( 12.182 18.292 1.672) 22.041 2.887 ( 5.943 4.247 -1.421) 7.441 3.006 ( 6.390 15.259 -3.636) 16.938 3.667 ( 1.887 9.370 1.697) 9.707 4.268 ( 0.529 2.270 3.699) 4.372 5.407 ( 4.657 5.619 1.442) 7.439 5.616 ( -1.506 -3.032 -0.320) 3.400 5.699 ( 0.266 0.786 -1.105) 1.382 6.002 ( -0.241 -2.566 -1.178) 2.834 6.719 ( -3.466 -16.687 4.161) 17.543 7.710 ( -6.773 -1.071 -7.165) 9.918 ======================= Grid point 692 (231/288) ======================= q-point: ( 0.64 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 3.827 7.801 -1.764) 8.866 2.739 ( 7.395 19.592 3.806) 21.284 3.007 ( 4.680 4.562 -3.773) 7.547 3.273 ( 9.425 11.590 -0.490) 14.947 3.758 ( 2.028 3.159 -0.078) 3.755 4.287 ( -0.671 -0.537 2.062) 2.234 5.538 ( 3.394 5.406 1.710) 6.608 5.567 ( -1.001 -1.804 -0.935) 2.265 5.722 ( 0.992 2.144 -0.964) 2.552 5.975 ( 0.326 -1.449 -1.390) 2.034 6.493 ( -7.125 -12.448 1.129) 14.387 7.588 ( -3.489 -2.952 -2.021) 4.997 ======================= Grid point 693 (232/288) ======================= q-point: ( 0.71 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 3.450 7.273 -1.447) 8.179 3.000 ( 0.995 15.882 5.542) 16.851 3.115 ( 2.613 7.198 -3.214) 8.305 3.492 ( 4.179 8.786 -2.871) 10.144 3.806 ( 0.843 1.030 -1.342) 1.890 4.269 ( 2.282 -4.800 2.788) 6.002 5.538 ( -0.300 -0.725 -0.481) 0.920 5.631 ( 0.399 5.005 0.874) 5.097 5.764 ( 2.861 0.496 -0.481) 2.943 5.980 ( 1.057 0.512 -1.894) 2.229 6.277 ( -7.175 -6.151 1.021) 9.506 7.518 ( -0.295 -4.685 0.045) 4.695 ======================= Grid point 694 (233/288) ======================= q-point: ( 0.79 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 1.667 5.716 -2.160) 6.334 3.125 ( -1.200 7.399 2.501) 7.902 3.197 ( -2.978 10.549 2.682) 11.284 3.570 ( -2.319 7.942 -5.617) 10.000 3.755 ( -5.619 -0.489 -3.470) 6.622 4.324 ( 7.824 -6.093 4.991) 11.102 5.531 ( -0.963 0.655 0.318) 1.207 5.656 ( -0.659 1.528 -0.483) 1.732 5.827 ( 5.055 -1.373 -0.741) 5.290 5.984 ( -3.048 4.293 -1.205) 5.401 6.169 ( -1.190 -2.236 1.666) 3.032 7.485 ( 2.088 -5.012 0.035) 5.429 ======================= Grid point 704 (234/288) ======================= q-point: ( 0.50 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -0.000 4.908 -6.230) 7.931 2.037 ( -0.000 13.687 -4.182) 14.311 2.779 ( 0.000 4.627 2.853) 5.436 2.907 ( -0.000 17.240 -5.226) 18.015 3.652 ( 0.000 14.646 4.458) 15.310 4.266 ( 0.000 4.530 4.663) 6.501 5.302 ( 0.000 4.502 1.980) 4.918 5.648 ( 0.000 -3.106 0.312) 3.121 5.691 ( -0.000 -0.526 -1.540) 1.627 6.004 ( 0.000 -1.626 0.961) 1.889 6.755 ( 0.000 -17.609 4.339) 18.135 7.867 ( -0.000 -1.395 -10.749) 10.839 ======================= Grid point 705 (235/288) ======================= q-point: ( 0.57 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 1.539 4.927 -5.698) 7.688 2.272 ( 13.540 12.399 -4.149) 18.822 2.861 ( 2.775 4.823 2.753) 6.208 3.069 ( 2.549 13.837 -1.080) 14.111 3.766 ( -1.215 8.222 1.753) 8.494 4.329 ( -0.981 6.192 4.050) 7.464 5.383 ( 3.965 3.899 1.676) 5.808 5.612 ( -1.175 -2.243 0.052) 2.532 5.695 ( 0.696 1.249 -1.300) 1.932 5.989 ( -0.499 -1.690 1.676) 2.431 6.596 ( -0.602 -15.982 1.623) 16.075 7.776 ( -4.771 -1.900 -7.473) 9.067 ======================= Grid point 706 (236/288) ======================= q-point: ( 0.64 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 4.540 5.979 -2.341) 7.864 2.663 ( 18.778 12.214 -3.595) 22.687 2.971 ( 3.696 4.660 1.657) 6.175 3.255 ( 5.509 10.005 2.502) 11.692 3.792 ( -1.631 2.421 0.969) 3.076 4.355 ( -3.764 4.787 0.577) 6.117 5.507 ( 5.480 2.852 1.203) 6.294 5.572 ( -1.358 -0.549 -0.660) 1.607 5.729 ( 0.994 2.978 -0.622) 3.201 5.968 ( -0.804 -1.094 1.678) 2.158 6.435 ( -1.904 -13.082 -0.484) 13.228 7.642 ( -6.051 -2.155 -3.472) 7.301 ======================= Grid point 707 (237/288) ======================= q-point: ( 0.71 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 4.762 6.098 -0.226) 7.741 3.055 ( 13.667 10.184 -5.092) 17.789 3.082 ( 3.327 5.936 2.803) 7.360 3.461 ( 7.872 6.432 3.347) 10.702 3.791 ( 0.867 -0.363 1.648) 1.897 4.293 ( -6.600 1.498 -2.091) 7.084 5.537 ( -0.427 -0.514 -0.239) 0.709 5.632 ( 3.912 2.605 0.685) 4.750 5.763 ( -0.839 2.752 -0.461) 2.914 5.967 ( 1.065 0.723 0.675) 1.453 6.285 ( -2.600 -8.624 -0.730) 9.037 7.522 ( -4.465 -2.639 -0.768) 5.243 ======================= Grid point 708 (238/288) ======================= q-point: ( 0.79 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 2.901 5.024 -0.000) 5.802 3.174 ( 2.431 4.210 -0.000) 4.861 3.274 ( 2.892 5.009 -0.000) 5.784 3.619 ( 2.758 4.776 -0.000) 5.515 3.862 ( 2.969 5.142 -0.000) 5.937 4.180 ( -2.612 -4.523 -0.000) 5.223 5.540 ( 0.572 0.991 -0.000) 1.144 5.700 ( 0.983 1.703 -0.000) 1.966 5.737 ( -1.229 -2.128 -0.000) 2.457 6.023 ( 2.073 3.590 -0.000) 4.145 6.189 ( -1.892 -3.277 -0.000) 3.784 7.439 ( -1.772 -3.069 -0.000) 3.543 ======================= Grid point 720 (239/288) ======================= q-point: ( 0.57 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -0.000 4.091 -5.319) 6.710 2.239 ( -0.000 10.189 -3.892) 10.907 2.894 ( 0.000 4.577 2.952) 5.446 3.171 ( -0.000 11.037 1.424) 11.128 3.838 ( 0.000 2.574 1.650) 3.057 4.424 ( 0.000 8.105 1.878) 8.320 5.377 ( 0.000 1.746 1.097) 2.062 5.609 ( 0.000 -0.911 0.350) 0.976 5.701 ( -0.000 2.590 -0.998) 2.775 5.989 ( 0.000 -1.746 4.081) 4.439 6.461 ( -0.000 -12.236 -1.924) 12.386 7.772 ( -0.000 -2.574 -5.723) 6.275 ======================= Grid point 721 (240/288) ======================= q-point: ( 0.64 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 3.486 5.398 -1.229) 6.542 2.448 ( 14.359 8.624 -2.941) 17.006 2.965 ( 2.624 3.550 1.848) 4.786 3.289 ( 2.203 7.785 3.615) 8.861 3.832 ( -1.518 -1.470 1.900) 2.842 4.474 ( -2.946 6.553 -1.966) 7.449 5.432 ( 4.824 0.552 0.006) 4.856 5.596 ( -1.331 0.753 -0.132) 1.535 5.741 ( 1.148 3.566 0.195) 3.751 5.975 ( -0.510 -3.298 5.204) 6.182 6.347 ( -1.293 -7.272 -4.333) 8.563 7.698 ( -3.899 -2.260 -3.026) 5.428 ======================= Grid point 722 (241/288) ======================= q-point: ( 0.71 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 5.156 5.690 1.681) 7.861 2.821 ( 20.083 7.387 -3.623) 21.703 3.058 ( 4.539 2.299 0.850) 5.159 3.419 ( 4.556 4.057 5.746) 8.381 3.787 ( -1.433 -3.258 2.297) 4.236 4.435 ( -6.359 4.346 -4.917) 9.138 5.514 ( 3.439 -1.239 -0.168) 3.659 5.603 ( 1.205 3.211 -0.822) 3.527 5.801 ( 1.048 3.839 1.013) 4.106 5.951 ( 0.650 -3.949 4.222) 5.817 6.245 ( -2.688 -3.785 -4.111) 6.201 7.591 ( -5.657 -1.346 -0.850) 5.876 ======================= Grid point 736 (242/288) ======================= q-point: ( 0.64 0.64 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 0.000 6.517 2.449) 6.962 2.392 ( -0.000 7.169 -0.465) 7.184 2.969 ( 0.000 1.495 0.471) 1.567 3.349 ( 0.000 5.218 4.673) 7.005 3.825 ( 0.000 -3.795 2.200) 4.386 4.543 ( -0.000 4.376 -5.137) 6.749 5.384 ( -0.000 -0.610 -1.019) 1.187 5.624 ( -0.000 2.348 0.215) 2.358 5.765 ( 0.000 3.332 0.727) 3.411 5.943 ( 0.000 -7.596 5.911) 9.625 6.313 ( -0.000 0.461 -6.028) 6.046 7.704 ( -0.000 -1.595 -1.462) 2.164 ======================= Grid point 738 (243/288) ======================= q-point: (-0.29 -0.36 -0.79) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 2.779 6.643 5.091) 8.819 2.579 ( 13.848 5.753 0.340) 14.999 2.999 ( 3.006 -0.724 -0.855) 3.208 3.419 ( 1.748 2.422 6.170) 6.855 3.782 ( -1.128 -4.040 2.023) 4.657 4.525 ( -2.889 1.619 -7.547) 8.242 5.417 ( 4.864 -1.176 -1.478) 5.218 5.642 ( -1.175 4.091 -0.193) 4.261 5.809 ( 1.342 1.616 1.906) 2.836 5.889 ( 1.273 -7.403 4.119) 8.567 6.288 ( -3.357 2.950 -5.019) 6.720 7.663 ( -3.550 0.071 -0.101) 3.552 ======================= Grid point 753 (244/288) ======================= q-point: (-0.29 -0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 0.000 6.988 7.599) 10.324 2.509 ( 0.000 3.756 2.484) 4.503 2.949 ( -0.000 -2.905 -1.901) 3.472 3.443 ( 0.000 0.926 7.276) 7.334 3.760 ( 0.000 -3.399 1.468) 3.703 4.515 ( -0.000 -2.250 -9.700) 9.958 5.355 ( -0.000 -1.202 -1.925) 2.269 5.703 ( 0.000 5.036 0.909) 5.117 5.807 ( 0.000 -7.516 2.646) 7.968 5.817 ( 0.000 0.963 1.405) 1.703 6.339 ( -0.000 3.753 -4.107) 5.563 7.706 ( 0.000 2.380 0.446) 2.422 ======================= Grid point 860 (245/288) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 0.000 -0.000 18.506) 18.506 0.905 ( 0.000 -0.000 18.506) 18.506 1.482 ( 0.000 -0.000 31.893) 31.893 2.709 ( -0.000 0.000 -6.039) 6.039 2.709 ( -0.000 0.000 -6.039) 6.039 4.585 ( -0.000 0.000 -19.109) 19.109 5.101 ( -0.000 0.000 -1.166) 1.166 5.101 ( -0.000 0.000 -1.166) 1.166 5.813 ( 0.000 -0.000 1.377) 1.377 5.813 ( 0.000 -0.000 1.377) 1.377 7.423 ( 0.000 -0.000 9.452) 9.452 8.059 ( -0.000 0.000 -3.826) 3.826 ======================= Grid point 861 (246/288) ======================= q-point: ( 0.36 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 5.128 2.961 16.537) 17.565 1.159 ( 9.553 5.515 20.132) 22.956 1.688 ( 10.707 6.182 15.363) 19.720 2.730 ( 2.284 1.319 -5.874) 6.439 2.755 ( 7.325 4.229 -2.601) 8.849 4.337 ( -7.314 -4.223 -9.884) 13.001 5.129 ( 2.096 1.210 -1.391) 2.791 5.545 ( 25.740 14.861 -12.526) 32.254 5.788 ( -2.074 -1.197 1.491) 2.821 5.829 ( 0.368 0.212 -0.107) 0.438 7.426 ( -2.669 -1.541 9.636) 10.117 8.017 ( -3.078 -1.777 -8.062) 8.811 ======================= Grid point 862 (247/288) ======================= q-point: ( 0.43 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 11.543 6.664 11.876) 17.851 1.366 ( 3.097 1.788 20.293) 20.605 2.060 ( 20.551 11.865 -6.258) 24.541 2.771 ( 2.976 1.718 -5.380) 6.384 3.016 ( 14.640 8.452 4.528) 17.501 4.232 ( -0.479 -0.276 -6.797) 6.819 5.186 ( 3.389 1.957 -1.583) 4.221 5.735 ( -2.965 -1.712 1.581) 3.771 5.809 ( -1.686 -0.974 -0.658) 2.055 5.962 ( 13.623 7.865 -9.324) 18.287 7.370 ( -5.604 -3.236 12.544) 14.115 7.855 ( -7.457 -4.305 -13.942) 16.386 ======================= Grid point 863 (248/288) ======================= q-point: ( 0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 4.004 2.312 10.191) 11.191 1.547 ( 14.288 8.249 7.618) 18.172 2.521 ( 21.755 12.560 -8.570) 26.542 2.826 ( 3.296 1.903 -4.530) 5.916 3.378 ( 14.885 8.594 5.472) 18.038 4.247 ( 2.911 1.681 -2.882) 4.428 5.268 ( 4.173 2.409 -1.470) 5.038 5.676 ( -2.466 -1.424 1.467) 3.203 5.749 ( -3.004 -1.735 -1.301) 3.705 6.109 ( 2.367 1.367 -5.608) 6.239 7.207 ( -13.990 -8.077 10.154) 19.080 7.678 ( -2.486 -1.436 -10.730) 11.108 ======================= Grid point 864 (249/288) ======================= q-point: ( 0.57 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 6.849 3.955 2.771) 8.380 1.887 ( 13.892 8.021 4.345) 16.619 2.887 ( 3.145 1.815 -3.280) 4.893 2.944 ( 17.612 10.168 -6.556) 21.367 3.678 ( 10.151 5.861 3.079) 12.119 4.326 ( 3.899 2.251 0.720) 4.559 5.348 ( 2.814 1.625 -0.548) 3.295 5.650 ( 0.306 0.177 0.666) 0.754 5.679 ( -2.552 -1.474 -1.518) 3.315 6.089 ( -1.303 -0.752 -4.023) 4.295 6.830 ( -19.380 -11.189 1.511) 22.429 7.666 ( 1.477 0.853 -0.557) 1.794 ======================= Grid point 865 (250/288) ======================= q-point: ( 0.64 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 8.014 4.627 -2.019) 9.472 2.182 ( 11.212 6.473 1.676) 13.055 2.941 ( 2.274 1.313 -1.607) 3.079 3.247 ( 11.068 6.390 -6.064) 14.145 3.842 ( 3.541 2.044 1.345) 4.304 4.407 ( 2.728 1.575 3.547) 4.743 5.379 ( 0.038 0.022 0.942) 0.943 5.630 ( -1.150 -0.664 -1.767) 2.210 5.698 ( 3.484 2.012 -0.646) 4.075 6.075 ( 1.337 0.772 -3.645) 3.958 6.420 ( -16.238 -9.375 1.709) 18.828 7.693 ( 0.368 0.213 1.703) 1.755 ======================= Grid point 866 (251/288) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 7.717 4.455 -5.546) 10.496 2.393 ( 7.426 4.287 -0.690) 8.602 2.970 ( 0.308 0.178 0.319) 0.477 3.404 ( 5.004 2.889 -6.550) 8.734 3.843 ( -2.799 -1.616 -1.457) 3.545 4.479 ( 1.868 1.079 7.782) 8.076 5.371 ( -0.903 -0.521 1.694) 1.989 5.630 ( 1.788 1.032 -1.009) 2.298 5.775 ( 3.178 1.835 -1.250) 3.876 6.005 ( -8.249 -4.762 -6.607) 11.592 6.249 ( 1.287 0.743 6.967) 7.123 7.694 ( -0.347 -0.201 0.609) 0.729 ======================= Grid point 875 (252/288) ======================= q-point: ( 0.36 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 0.000 12.875 17.737) 21.917 1.169 ( 0.000 11.167 11.685) 16.162 1.755 ( 0.000 9.659 17.058) 19.603 2.655 ( -0.000 -0.085 -5.097) 5.098 2.779 ( -0.000 8.895 -3.307) 9.490 4.305 ( -0.000 -7.923 -10.180) 12.900 5.093 ( -0.000 0.827 -0.491) 0.961 5.508 ( -0.000 26.913 -10.180) 28.774 5.813 ( 0.000 -1.330 0.853) 1.580 5.813 ( 0.000 -0.417 0.442) 0.607 7.451 ( 0.000 -3.891 9.276) 10.059 8.014 ( -0.000 -1.255 -8.232) 8.327 ======================= Grid point 876 (253/288) ======================= q-point: ( 0.43 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 0.942 14.681 11.092) 18.424 1.435 ( 5.145 8.846 17.891) 20.612 1.939 ( 6.405 15.719 -2.920) 17.223 2.702 ( 5.129 1.050 -4.618) 6.981 2.930 ( 7.300 11.733 2.627) 14.066 4.209 ( -0.751 -1.908 -7.079) 7.370 5.139 ( 3.311 1.577 -0.698) 3.734 5.759 ( -0.264 0.178 -0.025) 0.320 5.805 ( 1.211 -0.139 -0.186) 1.233 5.831 ( 7.372 11.839 -7.164) 15.679 7.415 ( -1.723 -7.060 11.006) 13.188 7.910 ( -6.403 -2.029 -12.612) 14.289 ======================= Grid point 877 (254/288) ======================= q-point: ( 0.50 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 4.032 9.422 7.953) 12.973 1.604 ( 0.917 13.910 12.509) 18.729 2.296 ( 17.340 17.606 -8.734) 26.209 2.779 ( 3.728 2.826 -5.134) 6.946 3.242 ( 13.194 10.652 5.199) 17.737 4.203 ( 2.243 1.166 -3.626) 4.421 5.221 ( 4.003 3.041 -1.028) 5.131 5.710 ( -2.578 -1.733 1.277) 3.358 5.764 ( -1.835 -2.759 -1.128) 3.500 6.041 ( 5.712 3.866 -4.952) 8.491 7.315 ( -5.700 -11.841 12.432) 18.090 7.717 ( -7.505 0.270 -13.686) 15.611 ======================= Grid point 878 (255/288) ======================= q-point: ( 0.57 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 2.652 6.280 4.643) 8.249 1.881 ( 6.022 19.547 6.763) 21.543 2.739 ( 18.041 14.514 -5.778) 23.865 2.852 ( 3.033 3.668 -4.434) 6.505 3.558 ( 11.778 6.917 2.555) 13.896 4.270 ( 4.343 1.765 -0.525) 4.717 5.320 ( 3.669 4.137 -0.912) 5.604 5.662 ( -1.718 -1.156 1.062) 2.327 5.699 ( -2.128 -2.008 -1.188) 3.158 6.073 ( 0.081 -1.626 -3.968) 4.289 7.023 ( -15.890 -13.630 2.956) 21.143 7.646 ( 0.449 0.712 -2.271) 2.422 ======================= Grid point 879 (256/288) ======================= q-point: ( 0.64 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 4.391 7.207 1.215) 8.526 2.183 ( 5.026 18.631 4.212) 19.751 2.922 ( 2.337 3.912 -3.091) 5.506 3.109 ( 12.862 10.537 -4.706) 17.281 3.774 ( 7.410 2.591 1.113) 7.928 4.358 ( 4.445 0.328 1.104) 4.592 5.401 ( 0.761 4.308 0.003) 4.374 5.623 ( -0.953 -2.532 -0.945) 2.865 5.682 ( 0.985 2.021 -0.196) 2.257 6.042 ( 0.610 -1.552 -3.251) 3.654 6.613 ( -17.395 -10.811 0.176) 20.481 7.670 ( 1.916 -1.936 2.394) 3.626 ======================= Grid point 880 (257/288) ======================= q-point: ( 0.71 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 4.833 6.992 -2.031) 8.739 2.424 ( 1.853 16.730 1.924) 16.942 2.980 ( 0.765 3.568 -1.213) 3.846 3.334 ( 6.228 6.377 -5.460) 10.453 3.846 ( 0.300 -1.552 -0.876) 1.807 4.442 ( 4.949 -0.698 4.473) 6.707 5.427 ( -2.453 4.194 1.031) 4.966 5.599 ( 1.170 -1.223 -0.752) 1.852 5.747 ( 2.945 3.217 -0.921) 4.458 6.031 ( -0.902 -2.098 -5.926) 6.351 6.300 ( -8.337 -5.315 5.007) 11.083 7.674 ( 0.986 -3.464 1.792) 4.023 ======================= Grid point 890 (258/288) ======================= q-point: ( 0.43 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 0.000 13.914 3.280) 14.296 1.500 ( 0.000 11.206 14.969) 18.699 2.071 ( -0.000 20.080 -6.172) 21.007 2.647 ( -0.000 1.878 -1.903) 2.673 3.010 ( 0.000 14.301 4.066) 14.867 4.180 ( -0.000 -0.467 -5.133) 5.154 5.130 ( 0.000 2.957 0.583) 3.014 5.773 ( 0.000 -1.226 0.191) 1.240 5.776 ( 0.000 -2.570 -0.034) 2.570 5.872 ( -0.000 12.624 -4.527) 13.411 7.374 ( 0.000 -11.409 10.866) 15.755 7.911 ( -0.000 -0.863 -14.505) 14.531 ======================= Grid point 891 (259/288) ======================= q-point: ( 0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -0.468 9.879 3.901) 10.631 1.715 ( 6.341 12.397 6.058) 15.186 2.285 ( 4.516 23.677 -8.419) 25.532 2.716 ( 4.699 2.819 -2.380) 5.974 3.221 ( 5.572 14.625 6.108) 16.800 4.181 ( 0.875 2.001 -2.197) 3.098 5.193 ( 2.921 3.993 0.593) 4.983 5.729 ( -1.597 -2.330 0.487) 2.867 5.751 ( -0.561 -3.301 -0.704) 3.422 5.993 ( 3.363 5.268 -2.057) 6.580 7.271 ( -1.107 -15.675 11.296) 19.353 7.803 ( -6.154 0.957 -14.988) 16.231 ======================= Grid point 892 (260/288) ======================= q-point: ( 0.57 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 1.066 6.841 1.211) 7.028 2.008 ( 7.394 19.423 4.473) 21.259 2.624 ( 11.860 20.024 -4.379) 23.681 2.814 ( 4.167 3.836 -3.596) 6.709 3.478 ( 7.503 10.539 3.136) 13.311 4.231 ( 2.429 2.620 0.268) 3.583 5.300 ( 3.987 5.313 0.206) 6.645 5.679 ( -1.913 -2.810 0.666) 3.464 5.704 ( -1.054 -1.765 -1.000) 2.286 6.040 ( 0.700 -1.167 -1.906) 2.342 7.080 ( -6.639 -17.706 6.516) 20.001 7.676 ( -4.618 1.715 -8.011) 9.404 ======================= Grid point 893 (261/288) ======================= q-point: ( 0.64 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 3.024 7.742 0.778) 8.348 2.338 ( 5.039 22.340 4.627) 23.363 2.906 ( 3.407 4.572 -3.439) 6.659 3.001 ( 12.675 15.006 -2.615) 19.816 3.680 ( 6.900 4.796 0.505) 8.418 4.298 ( 2.933 0.678 0.721) 3.095 5.421 ( 3.171 6.288 0.070) 7.042 5.617 ( -1.732 -3.091 -0.281) 3.554 5.689 ( 0.105 0.940 -0.184) 0.963 6.010 ( -0.356 -2.451 -1.987) 3.175 6.760 ( -12.946 -14.115 0.683) 19.165 7.631 ( 0.014 -1.859 0.006) 1.859 ======================= Grid point 894 (262/288) ======================= q-point: ( 0.71 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 3.322 8.060 0.114) 8.718 2.622 ( 0.750 22.384 4.565) 22.857 2.993 ( 2.345 5.171 -2.659) 6.270 3.287 ( 7.191 10.455 -3.851) 13.261 3.799 ( 3.696 0.093 -0.404) 3.719 4.350 ( 4.479 -2.182 1.638) 5.245 5.511 ( -0.404 6.263 0.321) 6.284 5.571 ( -0.059 -1.918 -0.355) 1.951 5.727 ( 2.436 2.486 -0.263) 3.490 5.989 ( 0.985 -1.619 -2.560) 3.185 6.427 ( -12.217 -8.710 1.009) 15.038 7.615 ( 1.275 -4.872 1.891) 5.380 ======================= Grid point 906 (263/288) ======================= q-point: ( 0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -0.000 4.266 0.245) 4.273 1.743 ( -0.000 14.645 -3.343) 15.022 2.469 ( -0.000 24.682 -7.702) 25.856 2.704 ( 0.000 3.845 2.061) 4.363 3.357 ( 0.000 16.631 6.645) 17.910 4.198 ( -0.000 3.606 0.136) 3.609 5.214 ( 0.000 4.758 1.646) 5.035 5.718 ( 0.000 -3.610 0.504) 3.645 5.720 ( -0.000 -2.573 -1.090) 2.794 6.008 ( 0.000 2.722 0.484) 2.764 7.143 ( 0.000 -18.805 9.313) 20.985 7.819 ( -0.000 1.434 -14.509) 14.580 ======================= Grid point 907 (264/288) ======================= q-point: ( 0.57 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 0.087 5.156 -3.893) 6.461 1.992 ( 12.012 14.481 -3.257) 19.095 2.705 ( 3.172 21.709 -2.329) 22.062 2.784 ( 3.146 4.795 0.981) 5.818 3.543 ( 1.223 14.101 3.883) 14.676 4.246 ( 0.380 4.341 1.965) 4.780 5.294 ( 2.959 5.338 1.507) 6.287 5.674 ( -1.171 -3.669 0.429) 3.875 5.694 ( -0.030 -1.401 -1.150) 1.813 6.023 ( -0.019 -0.882 0.897) 1.258 6.972 ( -1.080 -20.188 6.456) 21.223 7.748 ( -4.514 1.566 -10.654) 11.676 ======================= Grid point 908 (265/288) ======================= q-point: ( 0.64 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 3.489 6.592 -2.065) 7.738 2.371 ( 14.938 16.515 -1.901) 22.350 2.884 ( 3.428 4.739 0.974) 5.929 2.988 ( 7.114 17.616 -0.123) 18.998 3.679 ( 1.006 8.449 0.722) 8.539 4.294 ( -0.081 2.845 1.547) 3.240 5.417 ( 4.370 5.926 0.705) 7.397 5.615 ( -1.720 -3.208 0.091) 3.641 5.691 ( 0.490 0.633 -0.557) 0.975 5.998 ( -1.137 -1.913 0.393) 2.260 6.752 ( -4.479 -18.224 2.246) 18.901 7.652 ( -4.264 -0.198 -4.267) 6.036 ======================= Grid point 909 (266/288) ======================= q-point: ( 0.71 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 4.312 7.469 -0.000) 8.624 2.760 ( 10.547 18.267 -0.000) 21.093 2.987 ( 2.934 5.081 -0.000) 5.867 3.271 ( 7.636 13.225 -0.000) 15.271 3.757 ( 1.825 3.161 -0.000) 3.650 4.298 ( -0.576 -0.997 -0.000) 1.152 5.546 ( 3.444 5.966 -0.000) 6.889 5.563 ( -1.234 -2.138 -0.000) 2.469 5.717 ( 1.126 1.950 -0.000) 2.252 5.968 ( -0.509 -0.882 -0.000) 1.019 6.499 ( -7.377 -12.777 -0.000) 14.754 7.578 ( -1.889 -3.271 -0.000) 3.777 ======================= Grid point 922 (267/288) ======================= q-point: ( 0.57 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -0.000 3.827 -6.794) 7.797 1.989 ( -0.000 13.639 -5.348) 14.650 2.812 ( 0.000 4.825 3.814) 6.151 2.879 ( -0.000 19.389 -0.573) 19.397 3.685 ( 0.000 12.689 2.297) 12.895 4.303 ( 0.000 5.662 2.956) 6.387 5.321 ( 0.000 4.446 1.929) 4.846 5.654 ( 0.000 -3.159 0.866) 3.275 5.676 ( -0.000 -0.580 -1.630) 1.730 6.021 ( 0.000 -1.102 2.450) 2.686 6.796 ( 0.000 -20.426 3.917) 20.799 7.766 ( -0.000 0.817 -9.305) 9.341 ======================= Grid point 923 (268/288) ======================= q-point: ( 0.64 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 2.932 5.657 -3.898) 7.469 2.227 ( 13.925 12.610 -4.742) 19.375 2.891 ( 2.231 4.673 3.225) 6.101 3.075 ( 2.801 15.561 2.155) 15.957 3.777 ( -1.526 7.738 0.456) 7.900 4.356 ( -1.472 5.246 1.515) 5.655 5.396 ( 3.702 3.517 0.956) 5.195 5.615 ( -1.460 -2.377 0.535) 2.840 5.685 ( 0.972 1.538 -0.672) 1.940 6.012 ( -1.178 -0.701 2.757) 3.078 6.609 ( -0.482 -18.725 0.972) 18.756 7.710 ( -3.758 -0.104 -5.629) 6.769 ======================= Grid point 939 (269/288) ======================= q-point: (-0.36 -0.36 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -0.000 6.493 -1.839) 6.748 2.205 ( -0.000 11.457 -2.988) 11.840 2.921 ( 0.000 3.691 2.424) 4.416 3.198 ( 0.000 12.147 3.993) 12.786 3.847 ( -0.000 3.221 0.229) 3.230 4.429 ( -0.000 5.568 -0.837) 5.630 5.383 ( -0.000 0.899 0.103) 0.905 5.616 ( 0.000 -1.180 1.076) 1.597 5.695 ( -0.000 3.298 -0.211) 3.305 6.033 ( 0.000 -0.030 4.654) 4.654 6.440 ( -0.000 -15.626 -2.259) 15.788 7.723 ( -0.000 -0.676 -4.153) 4.208 ======================= Grid point 1078 (270/288) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 0.000 -0.000 13.941) 13.941 1.066 ( 0.000 -0.000 13.941) 13.941 1.765 ( 0.000 -0.000 25.061) 25.061 2.651 ( -0.000 0.000 -5.498) 5.498 2.651 ( -0.000 0.000 -5.498) 5.498 4.405 ( -0.000 0.000 -16.914) 16.914 5.091 ( -0.000 0.000 -0.890) 0.890 5.091 ( -0.000 0.000 -0.890) 0.890 5.825 ( 0.000 -0.000 1.065) 1.065 5.825 ( 0.000 -0.000 1.065) 1.065 7.511 ( 0.000 -0.000 8.179) 8.179 8.020 ( -0.000 0.000 -3.988) 3.988 ======================= Grid point 1079 (271/288) ======================= q-point: ( 0.43 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 4.297 2.481 13.283) 14.179 1.329 ( 13.872 8.009 13.717) 21.089 1.810 ( -0.952 -0.550 9.549) 9.612 2.673 ( 2.335 1.348 -5.570) 6.188 2.742 ( 10.288 5.940 0.040) 11.880 4.237 ( -5.148 -2.972 -9.574) 11.269 5.116 ( 1.933 1.116 -1.354) 2.611 5.449 ( 23.989 13.850 -6.982) 28.567 5.802 ( -1.966 -1.135 1.286) 2.609 5.830 ( -0.395 -0.228 0.026) 0.457 7.515 ( -1.830 -1.057 8.280) 8.546 7.945 ( -5.662 -3.269 -6.541) 9.249 ======================= Grid point 1080 (272/288) ======================= q-point: ( 0.50 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 10.022 5.786 10.626) 15.711 1.566 ( -0.728 -0.420 19.528) 19.546 1.975 ( 19.276 11.129 -10.268) 24.512 2.718 ( 3.209 1.853 -5.335) 6.495 3.058 ( 15.732 9.083 3.545) 18.508 4.170 ( 0.868 0.501 -5.334) 5.427 5.169 ( 3.321 1.917 -1.756) 4.218 5.750 ( -2.898 -1.673 1.515) 3.673 5.799 ( -1.956 -1.129 -1.233) 2.574 5.888 ( 14.762 8.523 -5.710) 17.977 7.495 ( -3.484 -2.012 12.877) 13.491 7.725 ( -9.939 -5.738 -12.502) 16.971 ======================= Grid point 1081 (273/288) ======================= q-point: ( 0.57 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 0.534 0.308 9.964) 9.983 1.624 ( 12.841 7.414 7.769) 16.739 2.449 ( 22.592 13.044 -5.446) 26.649 2.780 ( 3.730 2.153 -4.794) 6.445 3.414 ( 14.414 8.322 1.578) 16.718 4.220 ( 4.290 2.477 -2.303) 5.463 5.251 ( 4.339 2.505 -1.908) 5.361 5.691 ( -2.563 -1.480 1.659) 3.393 5.736 ( -3.055 -1.764 -1.228) 3.735 6.059 ( 2.833 1.636 -4.470) 5.539 7.269 ( -18.348 -10.593 1.074) 21.214 7.621 ( 2.275 1.313 0.660) 2.708 ======================= Grid point 1082 (274/288) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 4.313 2.490 5.605) 7.498 1.936 ( 12.586 7.266 5.325) 15.478 2.851 ( 3.820 2.205 -3.879) 5.874 2.894 ( 17.624 10.175 -3.517) 20.652 3.695 ( 10.112 5.838 0.383) 11.683 4.323 ( 4.914 2.837 -1.134) 5.787 5.338 ( 3.489 2.015 -1.451) 4.282 5.661 ( -0.257 -0.148 1.350) 1.382 5.665 ( -2.697 -1.557 -1.336) 3.389 6.051 ( -0.882 -0.509 -3.514) 3.659 6.827 ( -19.454 -11.232 -2.017) 22.554 7.691 ( 1.932 1.115 5.455) 5.893 ======================= Grid point 1094 (275/288) ======================= q-point: ( 0.43 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 0.000 8.750 5.850) 10.525 1.285 ( 0.000 14.500 14.304) 20.368 1.879 ( 0.000 0.063 7.837) 7.837 2.615 ( -0.000 0.645 -2.781) 2.855 2.758 ( -0.000 11.596 -0.951) 11.635 4.209 ( -0.000 -5.204 -8.527) 9.989 5.091 ( -0.000 1.153 0.095) 1.156 5.432 ( -0.000 25.779 -5.393) 26.337 5.818 ( 0.000 -1.556 0.302) 1.585 5.819 ( 0.000 -1.001 0.663) 1.201 7.535 ( 0.000 -2.838 7.458) 7.980 7.940 ( -0.000 -4.857 -6.619) 8.210 ======================= Grid point 1095 (276/288) ======================= q-point: ( 0.50 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 1.890 11.965 6.827) 13.904 1.604 ( 8.692 7.690 16.310) 20.017 1.877 ( 0.848 10.659 -9.348) 14.203 2.662 ( 3.725 1.748 -3.127) 5.168 2.961 ( 8.663 13.493 2.998) 16.312 4.149 ( -0.100 -0.314 -4.719) 4.730 5.134 ( 2.548 2.146 -0.385) 3.353 5.744 ( 7.072 10.815 -2.604) 13.182 5.794 ( 1.719 4.357 -0.615) 4.724 5.804 ( -0.559 -2.159 -0.385) 2.263 7.521 ( -0.205 -5.044 10.202) 11.383 7.794 ( -7.569 -5.820 -10.848) 14.451 ======================= Grid point 1096 (277/288) ======================= q-point: ( 0.57 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 4.660 7.371 5.740) 10.440 1.712 ( -0.476 9.674 8.348) 12.787 2.225 ( 18.695 18.662 -4.772) 26.842 2.734 ( 3.300 3.184 -3.866) 5.998 3.276 ( 12.256 11.024 1.480) 16.550 4.174 ( 2.850 2.481 -1.938) 4.247 5.210 ( 3.454 3.657 -1.066) 5.142 5.723 ( -2.264 -1.925 1.203) 3.206 5.753 ( -2.037 -2.769 -0.980) 3.574 6.002 ( 5.245 4.880 -2.871) 7.718 7.416 ( -10.786 -14.182 5.314) 18.593 7.614 ( -1.224 1.859 -4.721) 5.219 ======================= Grid point 1097 (278/288) ======================= q-point: ( 0.64 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 2.752 3.761 4.892) 6.756 1.945 ( 5.345 18.642 5.971) 20.291 2.700 ( 18.184 14.800 -1.749) 23.511 2.810 ( 3.163 3.964 -3.785) 6.328 3.567 ( 11.382 7.037 -0.771) 13.404 4.262 ( 4.508 2.639 -1.245) 5.370 5.309 ( 3.508 4.791 -1.352) 6.090 5.673 ( -2.104 -2.135 0.905) 3.131 5.689 ( -1.834 -1.342 -0.548) 2.337 6.040 ( -0.160 -1.018 -2.628) 2.823 7.021 ( -17.760 -12.764 -3.125) 22.093 7.664 ( 3.325 -0.683 5.754) 6.681 ======================= Grid point 1110 (279/288) ======================= q-point: ( 0.50 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -0.000 11.999 -2.323) 12.222 1.645 ( 0.000 5.146 13.714) 14.648 1.976 ( -0.000 18.507 -12.057) 22.088 2.644 ( 0.000 2.878 1.280) 3.150 3.053 ( 0.000 16.531 3.962) 16.999 4.140 ( -0.000 1.358 -2.596) 2.930 5.139 ( 0.000 3.306 1.193) 3.515 5.773 ( -0.000 -2.875 -0.645) 2.946 5.776 ( 0.000 -0.402 0.617) 0.736 5.845 ( -0.000 13.678 -1.012) 13.716 7.482 ( 0.000 -10.310 11.218) 15.236 7.770 ( -0.000 -3.680 -13.930) 14.408 ======================= Grid point 1111 (280/288) ======================= q-point: ( 0.57 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 1.385 8.118 -1.273) 8.333 1.752 ( 7.092 6.227 0.478) 9.450 2.219 ( 6.021 25.607 -3.790) 26.577 2.709 ( 2.604 3.711 1.010) 4.645 3.268 ( 4.589 15.344 3.042) 16.302 4.167 ( 1.010 3.585 -0.445) 3.751 5.201 ( 2.247 4.467 0.896) 5.080 5.731 ( -0.983 -2.465 -0.360) 2.678 5.747 ( -1.093 -3.445 0.140) 3.617 5.985 ( 2.598 6.397 0.443) 6.919 7.379 ( -1.747 -17.824 9.856) 20.442 7.665 ( -4.267 2.136 -12.146) 13.050 ======================= Grid point 1112 (281/288) ======================= q-point: ( 0.64 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 2.729 4.727 -0.000) 5.459 2.032 ( 9.998 17.317 -0.000) 19.995 2.601 ( 12.041 20.855 -0.000) 24.081 2.796 ( 2.656 4.600 -0.000) 5.312 3.494 ( 6.160 10.670 0.000) 12.320 4.232 ( 2.120 3.673 -0.000) 4.241 5.301 ( 3.368 5.834 -0.000) 6.736 5.684 ( -2.082 -3.606 0.000) 4.164 5.697 ( -0.705 -1.221 -0.000) 1.410 6.030 ( -0.296 -0.514 -0.000) 0.593 7.114 ( -10.096 -17.487 -0.000) 20.193 7.634 ( 0.406 0.703 0.000) 0.812 ======================= Grid point 1126 (282/288) ======================= q-point: ( 0.57 0.57 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -0.000 0.161 -5.591) 5.593 1.695 ( -0.000 14.134 -6.339) 15.490 2.425 ( -0.000 26.288 -0.967) 26.306 2.735 ( 0.000 4.378 4.021) 5.944 3.407 ( 0.000 16.438 3.061) 16.721 4.204 ( 0.000 5.096 1.055) 5.204 5.232 ( 0.000 4.973 1.946) 5.341 5.707 ( -0.000 -2.847 -1.500) 3.218 5.725 ( 0.000 -3.579 0.943) 3.701 6.024 ( 0.000 3.248 2.671) 4.205 7.230 ( 0.000 -21.077 7.606) 22.408 7.688 ( -0.000 3.085 -11.353) 11.765 ======================= Grid point 1300 (283/288) ======================= q-point: ( 0.43 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 0.000 -0.000 7.647) 7.647 1.174 ( 0.000 -0.000 7.647) 7.647 1.962 ( 0.000 -0.000 14.333) 14.333 2.606 ( -0.000 0.000 -3.386) 3.386 2.606 ( -0.000 0.000 -3.386) 3.386 4.267 ( -0.000 0.000 -10.366) 10.366 5.084 ( -0.000 0.000 -0.478) 0.478 5.084 ( -0.000 0.000 -0.478) 0.478 5.833 ( 0.000 -0.000 0.577) 0.577 5.833 ( 0.000 -0.000 0.577) 0.577 7.578 ( 0.000 -0.000 5.099) 5.099 7.985 ( -0.000 0.000 -2.880) 2.880 ======================= Grid point 1301 (284/288) ======================= q-point: ( 0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 4.570 2.638 8.036) 9.613 1.416 ( 17.003 9.817 3.394) 19.925 1.881 ( -8.518 -4.918 5.162) 11.108 2.626 ( 2.031 1.172 -3.767) 4.437 2.750 ( 12.266 7.082 0.985) 14.198 4.163 ( -3.447 -1.990 -4.848) 6.273 5.104 ( 1.660 0.959 -1.088) 2.204 5.404 ( 22.440 12.956 -2.450) 26.028 5.813 ( -1.786 -1.031 0.859) 2.234 5.829 ( -0.774 -0.447 -0.230) 0.923 7.580 ( -0.796 -0.460 4.294) 4.391 7.894 ( -7.383 -4.263 -3.265) 9.129 ======================= Grid point 1302 (285/288) ======================= q-point: ( 0.57 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 9.635 5.563 7.326) 13.321 1.714 ( -6.037 -3.486 5.685) 8.996 1.893 ( 23.615 13.634 -1.500) 27.309 2.671 ( 3.073 1.774 -3.968) 5.323 3.076 ( 15.438 8.913 -0.305) 17.828 4.134 ( 1.608 0.928 -1.617) 2.462 5.153 ( 3.131 1.808 -1.608) 3.957 5.764 ( -2.726 -1.574 1.171) 3.359 5.786 ( -0.765 -0.442 -1.317) 1.586 5.850 ( 13.291 7.674 -2.076) 15.487 7.585 ( -1.765 -1.019 -5.672) 6.027 7.646 ( -11.355 -6.556 7.356) 15.034 ======================= Grid point 1316 (286/288) ======================= q-point: ( 0.50 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -0.000 6.658 -1.224) 6.770 1.395 ( 0.000 17.981 7.296) 19.405 1.912 ( 0.000 -8.236 -0.578) 8.257 2.603 ( 0.000 1.575 0.614) 1.691 2.755 ( -0.000 13.916 -0.105) 13.916 4.151 ( -0.000 -3.645 -2.594) 4.474 5.095 ( 0.000 1.536 0.646) 1.667 5.399 ( -0.000 25.257 -1.420) 25.297 5.818 ( -0.000 -1.812 -0.299) 1.837 5.825 ( 0.000 -1.093 0.519) 1.210 7.589 ( 0.000 -1.209 2.706) 2.964 7.891 ( -0.000 -7.908 -2.725) 8.364 ======================= Grid point 1317 (287/288) ======================= q-point: ( 0.57 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 5.342 9.253 -0.000) 10.685 1.733 ( 12.561 21.756 -0.000) 25.122 1.782 ( -3.293 -5.704 0.000) 6.586 2.646 ( 1.664 2.882 -0.000) 3.328 2.977 ( 8.330 14.428 0.000) 16.660 4.124 ( 0.198 0.344 -0.000) 0.397 5.132 ( 1.584 2.743 -0.000) 3.167 5.729 ( 8.323 14.415 -0.000) 16.645 5.793 ( 0.663 1.148 -0.000) 1.325 5.802 ( -1.174 -2.033 -0.000) 2.348 7.589 ( 0.135 0.234 -0.000) 0.270 7.723 ( -7.030 -12.177 0.000) 14.061 ======================= Grid point 1527 (288/288) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 0.000 -0.000 0.000) 0.000 1.212 ( 0.000 -0.000 0.000) 0.000 2.035 ( 0.000 -0.000 0.000) 0.000 2.589 ( 0.000 -0.000 0.000) 0.000 2.589 ( 0.000 -0.000 0.000) 0.000 4.214 ( 0.000 -0.000 0.000) 0.000 5.081 ( 0.000 -0.000 0.000) 0.000 5.081 ( 0.000 -0.000 0.000) 0.000 5.836 ( 0.000 -0.000 0.000) 0.000 5.836 ( 0.000 -0.000 0.000) 0.000 7.604 ( 0.000 -0.000 0.000) 0.000 7.970 ( 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 3/32928 10.0 1230.362 1230.362 3442.159 -0.000 0.000 -0.000 3/32928 20.0 342.666 342.666 351.830 -0.000 -0.000 -0.000 3/32928 30.0 133.605 133.605 87.755 -0.000 -0.000 -0.000 3/32928 40.0 72.760 72.760 39.006 -0.000 -0.000 -0.000 3/32928 50.0 46.938 46.938 22.958 -0.000 -0.000 -0.000 3/32928 60.0 33.705 33.705 15.774 -0.000 -0.000 -0.000 3/32928 70.0 26.019 26.019 11.906 -0.000 -0.000 -0.000 3/32928 80.0 21.122 21.122 9.551 -0.000 -0.000 -0.000 3/32928 90.0 17.775 17.775 7.986 -0.000 -0.000 -0.000 3/32928 100.0 15.357 15.357 6.876 -0.000 -0.000 -0.000 3/32928 110.0 13.534 13.534 6.049 -0.000 -0.000 -0.000 3/32928 120.0 12.111 12.111 5.409 -0.000 -0.000 -0.000 3/32928 130.0 10.970 10.970 4.898 -0.000 -0.000 -0.000 3/32928 140.0 10.034 10.034 4.480 -0.000 -0.000 -0.000 3/32928 150.0 9.252 9.252 4.132 -0.000 -0.000 -0.000 3/32928 160.0 8.587 8.587 3.836 -0.000 -0.000 -0.000 3/32928 170.0 8.016 8.016 3.582 -0.000 -0.000 -0.000 3/32928 180.0 7.518 7.518 3.361 -0.000 -0.000 -0.000 3/32928 190.0 7.081 7.081 3.166 -0.000 -0.000 -0.000 3/32928 200.0 6.694 6.694 2.994 -0.000 -0.000 -0.000 3/32928 210.0 6.348 6.348 2.840 -0.000 -0.000 -0.000 3/32928 220.0 6.037 6.037 2.702 -0.000 -0.000 -0.000 3/32928 230.0 5.756 5.756 2.577 -0.000 -0.000 -0.000 3/32928 240.0 5.501 5.501 2.464 -0.000 -0.000 -0.000 3/32928 250.0 5.268 5.268 2.360 -0.000 -0.000 -0.000 3/32928 260.0 5.055 5.055 2.265 -0.000 -0.000 -0.000 3/32928 270.0 4.858 4.858 2.177 -0.000 -0.000 -0.000 3/32928 280.0 4.677 4.677 2.096 -0.000 -0.000 -0.000 3/32928 290.0 4.509 4.509 2.021 -0.000 -0.000 -0.000 3/32928 300.0 4.353 4.353 1.952 -0.000 -0.000 -0.000 3/32928 310.0 4.207 4.207 1.887 -0.000 -0.000 -0.000 3/32928 320.0 4.071 4.071 1.826 -0.000 -0.000 -0.000 3/32928 330.0 3.944 3.944 1.769 -0.000 -0.000 -0.000 3/32928 340.0 3.825 3.825 1.716 -0.000 -0.000 -0.000 3/32928 350.0 3.712 3.712 1.665 -0.000 -0.000 -0.000 3/32928 360.0 3.607 3.607 1.618 -0.000 -0.000 -0.000 3/32928 370.0 3.507 3.507 1.573 -0.000 -0.000 -0.000 3/32928 380.0 3.412 3.412 1.531 -0.000 -0.000 -0.000 3/32928 390.0 3.323 3.323 1.491 -0.000 -0.000 -0.000 3/32928 400.0 3.238 3.238 1.453 -0.000 -0.000 -0.000 3/32928 410.0 3.158 3.158 1.417 -0.000 -0.000 -0.000 3/32928 420.0 3.081 3.081 1.383 -0.000 -0.000 -0.000 3/32928 430.0 3.008 3.008 1.350 -0.000 -0.000 -0.000 3/32928 440.0 2.939 2.939 1.319 -0.000 -0.000 -0.000 3/32928 450.0 2.873 2.873 1.290 -0.000 -0.000 -0.000 3/32928 460.0 2.809 2.809 1.261 -0.000 -0.000 -0.000 3/32928 470.0 2.749 2.749 1.234 -0.000 -0.000 -0.000 3/32928 480.0 2.691 2.691 1.208 -0.000 -0.000 -0.000 3/32928 490.0 2.635 2.635 1.183 -0.000 -0.000 -0.000 3/32928 500.0 2.582 2.582 1.159 -0.000 -0.000 -0.000 3/32928 510.0 2.530 2.530 1.136 -0.000 -0.000 -0.000 3/32928 520.0 2.481 2.481 1.114 -0.000 -0.000 -0.000 3/32928 530.0 2.434 2.434 1.093 -0.000 -0.000 -0.000 3/32928 540.0 2.388 2.388 1.073 -0.000 -0.000 -0.000 3/32928 550.0 2.345 2.345 1.053 -0.000 -0.000 -0.000 3/32928 560.0 2.302 2.302 1.034 -0.000 -0.000 -0.000 3/32928 570.0 2.262 2.262 1.016 -0.000 -0.000 -0.000 3/32928 580.0 2.222 2.222 0.998 -0.000 -0.000 -0.000 3/32928 590.0 2.184 2.184 0.981 -0.000 -0.000 -0.000 3/32928 600.0 2.148 2.148 0.965 -0.000 -0.000 -0.000 3/32928 610.0 2.112 2.112 0.949 -0.000 -0.000 -0.000 3/32928 620.0 2.078 2.078 0.933 -0.000 -0.000 -0.000 3/32928 630.0 2.045 2.045 0.918 -0.000 -0.000 -0.000 3/32928 640.0 2.013 2.013 0.904 -0.000 -0.000 -0.000 3/32928 650.0 1.981 1.981 0.890 -0.000 -0.000 -0.000 3/32928 660.0 1.951 1.951 0.876 -0.000 -0.000 -0.000 3/32928 670.0 1.922 1.922 0.863 -0.000 -0.000 -0.000 3/32928 680.0 1.893 1.893 0.851 -0.000 -0.000 -0.000 3/32928 690.0 1.866 1.866 0.838 -0.000 -0.000 -0.000 3/32928 700.0 1.839 1.839 0.826 -0.000 -0.000 -0.000 3/32928 710.0 1.813 1.813 0.814 -0.000 -0.000 -0.000 3/32928 720.0 1.788 1.788 0.803 -0.000 -0.000 -0.000 3/32928 730.0 1.763 1.763 0.792 -0.000 -0.000 -0.000 3/32928 740.0 1.739 1.739 0.781 -0.000 -0.000 -0.000 3/32928 750.0 1.716 1.716 0.771 -0.000 -0.000 -0.000 3/32928 760.0 1.693 1.693 0.761 -0.000 -0.000 -0.000 3/32928 770.0 1.671 1.671 0.751 -0.000 -0.000 -0.000 3/32928 780.0 1.650 1.650 0.741 -0.000 -0.000 -0.000 3/32928 790.0 1.629 1.629 0.732 -0.000 -0.000 -0.000 3/32928 800.0 1.608 1.608 0.723 -0.000 -0.000 -0.000 3/32928 810.0 1.588 1.588 0.714 -0.000 -0.000 -0.000 3/32928 820.0 1.569 1.569 0.705 -0.000 -0.000 -0.000 3/32928 830.0 1.550 1.550 0.696 -0.000 -0.000 -0.000 3/32928 840.0 1.531 1.531 0.688 -0.000 -0.000 -0.000 3/32928 850.0 1.513 1.513 0.680 -0.000 -0.000 -0.000 3/32928 860.0 1.496 1.496 0.672 -0.000 -0.000 -0.000 3/32928 870.0 1.479 1.479 0.664 -0.000 -0.000 -0.000 3/32928 880.0 1.462 1.462 0.657 -0.000 -0.000 -0.000 3/32928 890.0 1.445 1.445 0.649 -0.000 -0.000 -0.000 3/32928 900.0 1.429 1.429 0.642 -0.000 -0.000 -0.000 3/32928 910.0 1.413 1.413 0.635 -0.000 -0.000 -0.000 3/32928 920.0 1.398 1.398 0.628 -0.000 -0.000 -0.000 3/32928 930.0 1.383 1.383 0.621 -0.000 -0.000 -0.000 3/32928 940.0 1.368 1.368 0.615 -0.000 -0.000 -0.000 3/32928 950.0 1.354 1.354 0.608 -0.000 -0.000 -0.000 3/32928 960.0 1.340 1.340 0.602 -0.000 -0.000 -0.000 3/32928 970.0 1.326 1.326 0.596 -0.000 -0.000 -0.000 3/32928 980.0 1.312 1.312 0.590 -0.000 -0.000 -0.000 3/32928 990.0 1.299 1.299 0.584 -0.000 -0.000 -0.000 3/32928 1000.0 1.286 1.286 0.578 -0.000 -0.000 -0.000 3/32928 Thermal conductivity related properties were written into "kappa-m141414.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:41:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|