----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:10:19]------------------------- 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 1.924127309750839 1.110895420239755 6.576880549999993 b -1.924127309750836 1.110895420239755 6.576880549999993 c 0.000000000000002 -2.221790840479514 6.576880549999993 Atomic positions (fractional): *1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 *2 S 0.74107543898725 0.74107543898725 0.74107543898725 32.065 3 S 0.25892456101275 0.25892456101275 0.25892456101275 32.065 *4 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.848254619501675 0.000000000000000 0.000000000000000 b -1.924127309750838 3.332686260719269 0.000000000000000 c 0.000000000000000 0.000000000000000 19.730641649999999 Atomic positions (fractional): *1 Na 0.33333333333333 0.66666666666667 0.16666666666667 22.990 > 1 2 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 3 Na 0.66666666666667 0.33333333333333 0.83333333333333 22.990 > 1 *4 S 0.66666666666667 0.33333333333333 0.07440877232058 32.065 > 2 5 S 0.00000000000000 0.00000000000000 0.25892456101275 32.065 > 3 6 S 0.33333333333333 0.66666666666667 0.40774210565391 32.065 > 2 7 S 0.66666666666667 0.33333333333333 0.59225789434609 32.065 > 3 8 S 0.00000000000000 0.00000000000000 0.74107543898725 32.065 > 2 9 S 0.33333333333333 0.66666666666667 0.92559122767942 32.065 > 3 *10 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 > 4 11 Lu 0.66666666666667 0.33333333333333 0.33333333333333 174.967 > 4 12 Lu 0.33333333333333 0.66666666666667 0.66666666666667 174.967 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.544763858505025 0.000000000000000 0.000000000000000 b -5.772381929252514 9.998058782157807 0.000000000000000 c 0.000000000000000 0.000000000000000 19.730641649999999 Atomic positions (fractional): *1 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 1 2 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 1 3 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 1 4 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 1 5 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 1 6 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 1 7 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 1 8 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 1 9 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 1 10 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 11 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 1 12 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 1 13 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 1 14 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 1 15 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 1 16 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 1 17 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 1 18 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 1 19 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 1 20 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 1 21 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 1 22 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 1 23 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 1 24 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 1 25 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 1 26 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 1 27 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 1 *28 S 0.22222222222222 0.11111111111111 0.07440877232058 32.065 > 2 29 S 0.55555555555556 0.11111111111111 0.07440877232058 32.065 > 2 30 S 0.88888888888889 0.11111111111111 0.07440877232058 32.065 > 2 31 S 0.22222222222222 0.44444444444444 0.07440877232058 32.065 > 2 32 S 0.55555555555556 0.44444444444444 0.07440877232058 32.065 > 2 33 S 0.88888888888889 0.44444444444444 0.07440877232058 32.065 > 2 34 S 0.22222222222222 0.77777777777778 0.07440877232058 32.065 > 2 35 S 0.55555555555556 0.77777777777778 0.07440877232058 32.065 > 2 36 S 0.88888888888889 0.77777777777778 0.07440877232058 32.065 > 2 37 S 0.00000000000000 0.00000000000000 0.25892456101275 32.065 > 3 38 S 0.33333333333333 0.00000000000000 0.25892456101275 32.065 > 3 39 S 0.66666666666667 0.00000000000000 0.25892456101275 32.065 > 3 40 S 0.00000000000000 0.33333333333333 0.25892456101275 32.065 > 3 41 S 0.33333333333333 0.33333333333333 0.25892456101275 32.065 > 3 42 S 0.66666666666667 0.33333333333333 0.25892456101275 32.065 > 3 43 S 0.00000000000000 0.66666666666667 0.25892456101275 32.065 > 3 44 S 0.33333333333333 0.66666666666667 0.25892456101275 32.065 > 3 45 S 0.66666666666667 0.66666666666667 0.25892456101275 32.065 > 3 46 S 0.11111111111111 0.22222222222222 0.40774210565391 32.065 > 2 47 S 0.44444444444444 0.22222222222222 0.40774210565391 32.065 > 2 48 S 0.77777777777778 0.22222222222222 0.40774210565391 32.065 > 2 49 S 0.11111111111111 0.55555555555556 0.40774210565391 32.065 > 2 50 S 0.44444444444444 0.55555555555556 0.40774210565391 32.065 > 2 51 S 0.77777777777778 0.55555555555556 0.40774210565391 32.065 > 2 52 S 0.11111111111111 0.88888888888889 0.40774210565391 32.065 > 2 53 S 0.44444444444444 0.88888888888889 0.40774210565391 32.065 > 2 54 S 0.77777777777778 0.88888888888889 0.40774210565391 32.065 > 2 55 S 0.22222222222222 0.11111111111111 0.59225789434609 32.065 > 3 56 S 0.55555555555556 0.11111111111111 0.59225789434609 32.065 > 3 57 S 0.88888888888889 0.11111111111111 0.59225789434609 32.065 > 3 58 S 0.22222222222222 0.44444444444444 0.59225789434609 32.065 > 3 59 S 0.55555555555556 0.44444444444444 0.59225789434609 32.065 > 3 60 S 0.88888888888889 0.44444444444444 0.59225789434609 32.065 > 3 61 S 0.22222222222222 0.77777777777778 0.59225789434609 32.065 > 3 62 S 0.55555555555556 0.77777777777778 0.59225789434609 32.065 > 3 63 S 0.88888888888889 0.77777777777778 0.59225789434609 32.065 > 3 64 S 0.00000000000000 0.00000000000000 0.74107543898725 32.065 > 2 65 S 0.33333333333333 0.00000000000000 0.74107543898725 32.065 > 2 66 S 0.66666666666667 0.00000000000000 0.74107543898725 32.065 > 2 67 S 0.00000000000000 0.33333333333333 0.74107543898725 32.065 > 2 68 S 0.33333333333333 0.33333333333333 0.74107543898725 32.065 > 2 69 S 0.66666666666667 0.33333333333333 0.74107543898725 32.065 > 2 70 S 0.00000000000000 0.66666666666667 0.74107543898725 32.065 > 2 71 S 0.33333333333333 0.66666666666667 0.74107543898725 32.065 > 2 72 S 0.66666666666667 0.66666666666667 0.74107543898725 32.065 > 2 73 S 0.11111111111111 0.22222222222222 0.92559122767942 32.065 > 3 74 S 0.44444444444444 0.22222222222222 0.92559122767942 32.065 > 3 75 S 0.77777777777778 0.22222222222222 0.92559122767942 32.065 > 3 76 S 0.11111111111111 0.55555555555556 0.92559122767942 32.065 > 3 77 S 0.44444444444444 0.55555555555556 0.92559122767942 32.065 > 3 78 S 0.77777777777778 0.55555555555556 0.92559122767942 32.065 > 3 79 S 0.11111111111111 0.88888888888889 0.92559122767942 32.065 > 3 80 S 0.44444444444444 0.88888888888889 0.92559122767942 32.065 > 3 81 S 0.77777777777778 0.88888888888889 0.92559122767942 32.065 > 3 *82 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 > 4 83 Lu 0.33333333333333 0.00000000000000 0.00000000000000 174.967 > 4 84 Lu 0.66666666666667 0.00000000000000 0.00000000000000 174.967 > 4 85 Lu 0.00000000000000 0.33333333333333 0.00000000000000 174.967 > 4 86 Lu 0.33333333333333 0.33333333333333 0.00000000000000 174.967 > 4 87 Lu 0.66666666666667 0.33333333333333 0.00000000000000 174.967 > 4 88 Lu 0.00000000000000 0.66666666666667 0.00000000000000 174.967 > 4 89 Lu 0.33333333333333 0.66666666666667 0.00000000000000 174.967 > 4 90 Lu 0.66666666666667 0.66666666666667 0.00000000000000 174.967 > 4 91 Lu 0.22222222222222 0.11111111111111 0.33333333333333 174.967 > 4 92 Lu 0.55555555555556 0.11111111111111 0.33333333333333 174.967 > 4 93 Lu 0.88888888888889 0.11111111111111 0.33333333333333 174.967 > 4 94 Lu 0.22222222222222 0.44444444444444 0.33333333333333 174.967 > 4 95 Lu 0.55555555555556 0.44444444444444 0.33333333333333 174.967 > 4 96 Lu 0.88888888888889 0.44444444444444 0.33333333333333 174.967 > 4 97 Lu 0.22222222222222 0.77777777777778 0.33333333333333 174.967 > 4 98 Lu 0.55555555555556 0.77777777777778 0.33333333333333 174.967 > 4 99 Lu 0.88888888888889 0.77777777777778 0.33333333333333 174.967 > 4 100 Lu 0.11111111111111 0.22222222222222 0.66666666666667 174.967 > 4 101 Lu 0.44444444444444 0.22222222222222 0.66666666666667 174.967 > 4 102 Lu 0.77777777777778 0.22222222222222 0.66666666666667 174.967 > 4 103 Lu 0.11111111111111 0.55555555555556 0.66666666666667 174.967 > 4 104 Lu 0.44444444444444 0.55555555555556 0.66666666666667 174.967 > 4 105 Lu 0.77777777777778 0.55555555555556 0.66666666666667 174.967 > 4 106 Lu 0.11111111111111 0.88888888888889 0.66666666666667 174.967 > 4 107 Lu 0.44444444444444 0.88888888888889 0.66666666666667 174.967 > 4 108 Lu 0.77777777777778 0.88888888888889 0.66666666666667 174.967 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.0414132 -0.0000000 0.0000000 0.0000000 6.0414132 0.0000000 0.0000000 0.0000000 4.3973364 -------------------------- Born effective charges -------------------------- 1 Na 1.0741427 0.0000000 0.0000000 0.0000000 1.0741427 0.0000000 0.0000000 0.0000000 1.6399651 2 S -2.6879281 -0.0000000 0.0000000 0.0000000 -2.6879281 0.0000000 0.0000000 0.0000000 -1.7688007 3 S -2.6879281 -0.0000000 0.0000000 0.0000000 -2.6879281 0.0000000 0.0000000 0.0000000 -1.7688007 4 Lu 4.3017135 -0.0000000 0.0000000 0.0000000 4.3017135 0.0000000 0.0000000 0.0000000 1.8976363 ---------------------------------------------------------------------------- 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: 214 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: 0.130 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.137 --------------------------------- 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: 214 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 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:10:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:10:23]------------------------- 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 1.924127309750839 1.110895420239755 6.576880549999993 b -1.924127309750836 1.110895420239755 6.576880549999993 c 0.000000000000002 -2.221790840479514 6.576880549999993 Atomic positions (fractional): 1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 2 S 0.74107543898725 0.74107543898725 0.74107543898725 32.065 3 S 0.25892456101275 0.25892456101275 0.25892456101275 32.065 4 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.544763858505025 0.000000000000000 0.000000000000000 b -5.772381929252514 9.998058782157807 0.000000000000000 c 0.000000000000000 0.000000000000000 19.730641649999999 Atomic positions (fractional): 1 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 1 2 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 1 3 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 1 4 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 1 5 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 1 6 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 1 7 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 1 8 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 1 9 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 1 10 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 11 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 1 12 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 1 13 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 1 14 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 1 15 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 1 16 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 1 17 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 1 18 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 1 19 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 1 20 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 1 21 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 1 22 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 1 23 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 1 24 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 1 25 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 1 26 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 1 27 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 1 28 S 0.22222222222222 0.11111111111111 0.07440877232058 32.065 > 28 29 S 0.55555555555556 0.11111111111111 0.07440877232058 32.065 > 28 30 S 0.88888888888889 0.11111111111111 0.07440877232058 32.065 > 28 31 S 0.22222222222222 0.44444444444444 0.07440877232058 32.065 > 28 32 S 0.55555555555556 0.44444444444444 0.07440877232058 32.065 > 28 33 S 0.88888888888889 0.44444444444444 0.07440877232058 32.065 > 28 34 S 0.22222222222222 0.77777777777778 0.07440877232058 32.065 > 28 35 S 0.55555555555556 0.77777777777778 0.07440877232058 32.065 > 28 36 S 0.88888888888889 0.77777777777778 0.07440877232058 32.065 > 28 37 S 0.00000000000000 0.00000000000000 0.25892456101275 32.065 > 37 38 S 0.33333333333333 0.00000000000000 0.25892456101275 32.065 > 37 39 S 0.66666666666667 0.00000000000000 0.25892456101275 32.065 > 37 40 S 0.00000000000000 0.33333333333333 0.25892456101275 32.065 > 37 41 S 0.33333333333333 0.33333333333333 0.25892456101275 32.065 > 37 42 S 0.66666666666667 0.33333333333333 0.25892456101275 32.065 > 37 43 S 0.00000000000000 0.66666666666667 0.25892456101275 32.065 > 37 44 S 0.33333333333333 0.66666666666667 0.25892456101275 32.065 > 37 45 S 0.66666666666667 0.66666666666667 0.25892456101275 32.065 > 37 46 S 0.11111111111111 0.22222222222222 0.40774210565391 32.065 > 28 47 S 0.44444444444444 0.22222222222222 0.40774210565391 32.065 > 28 48 S 0.77777777777778 0.22222222222222 0.40774210565391 32.065 > 28 49 S 0.11111111111111 0.55555555555556 0.40774210565391 32.065 > 28 50 S 0.44444444444444 0.55555555555556 0.40774210565391 32.065 > 28 51 S 0.77777777777778 0.55555555555556 0.40774210565391 32.065 > 28 52 S 0.11111111111111 0.88888888888889 0.40774210565391 32.065 > 28 53 S 0.44444444444444 0.88888888888889 0.40774210565391 32.065 > 28 54 S 0.77777777777778 0.88888888888889 0.40774210565391 32.065 > 28 55 S 0.22222222222222 0.11111111111111 0.59225789434609 32.065 > 37 56 S 0.55555555555556 0.11111111111111 0.59225789434609 32.065 > 37 57 S 0.88888888888889 0.11111111111111 0.59225789434609 32.065 > 37 58 S 0.22222222222222 0.44444444444444 0.59225789434609 32.065 > 37 59 S 0.55555555555556 0.44444444444444 0.59225789434609 32.065 > 37 60 S 0.88888888888889 0.44444444444444 0.59225789434609 32.065 > 37 61 S 0.22222222222222 0.77777777777778 0.59225789434609 32.065 > 37 62 S 0.55555555555556 0.77777777777778 0.59225789434609 32.065 > 37 63 S 0.88888888888889 0.77777777777778 0.59225789434609 32.065 > 37 64 S 0.00000000000000 0.00000000000000 0.74107543898725 32.065 > 28 65 S 0.33333333333333 0.00000000000000 0.74107543898725 32.065 > 28 66 S 0.66666666666667 0.00000000000000 0.74107543898725 32.065 > 28 67 S 0.00000000000000 0.33333333333333 0.74107543898725 32.065 > 28 68 S 0.33333333333333 0.33333333333333 0.74107543898725 32.065 > 28 69 S 0.66666666666667 0.33333333333333 0.74107543898725 32.065 > 28 70 S 0.00000000000000 0.66666666666667 0.74107543898725 32.065 > 28 71 S 0.33333333333333 0.66666666666667 0.74107543898725 32.065 > 28 72 S 0.66666666666667 0.66666666666667 0.74107543898725 32.065 > 28 73 S 0.11111111111111 0.22222222222222 0.92559122767942 32.065 > 37 74 S 0.44444444444444 0.22222222222222 0.92559122767942 32.065 > 37 75 S 0.77777777777778 0.22222222222222 0.92559122767942 32.065 > 37 76 S 0.11111111111111 0.55555555555556 0.92559122767942 32.065 > 37 77 S 0.44444444444444 0.55555555555556 0.92559122767942 32.065 > 37 78 S 0.77777777777778 0.55555555555556 0.92559122767942 32.065 > 37 79 S 0.11111111111111 0.88888888888889 0.92559122767942 32.065 > 37 80 S 0.44444444444444 0.88888888888889 0.92559122767942 32.065 > 37 81 S 0.77777777777778 0.88888888888889 0.92559122767942 32.065 > 37 82 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 > 82 83 Lu 0.33333333333333 0.00000000000000 0.00000000000000 174.967 > 82 84 Lu 0.66666666666667 0.00000000000000 0.00000000000000 174.967 > 82 85 Lu 0.00000000000000 0.33333333333333 0.00000000000000 174.967 > 82 86 Lu 0.33333333333333 0.33333333333333 0.00000000000000 174.967 > 82 87 Lu 0.66666666666667 0.33333333333333 0.00000000000000 174.967 > 82 88 Lu 0.00000000000000 0.66666666666667 0.00000000000000 174.967 > 82 89 Lu 0.33333333333333 0.66666666666667 0.00000000000000 174.967 > 82 90 Lu 0.66666666666667 0.66666666666667 0.00000000000000 174.967 > 82 91 Lu 0.22222222222222 0.11111111111111 0.33333333333333 174.967 > 82 92 Lu 0.55555555555556 0.11111111111111 0.33333333333333 174.967 > 82 93 Lu 0.88888888888889 0.11111111111111 0.33333333333333 174.967 > 82 94 Lu 0.22222222222222 0.44444444444444 0.33333333333333 174.967 > 82 95 Lu 0.55555555555556 0.44444444444444 0.33333333333333 174.967 > 82 96 Lu 0.88888888888889 0.44444444444444 0.33333333333333 174.967 > 82 97 Lu 0.22222222222222 0.77777777777778 0.33333333333333 174.967 > 82 98 Lu 0.55555555555556 0.77777777777778 0.33333333333333 174.967 > 82 99 Lu 0.88888888888889 0.77777777777778 0.33333333333333 174.967 > 82 100 Lu 0.11111111111111 0.22222222222222 0.66666666666667 174.967 > 82 101 Lu 0.44444444444444 0.22222222222222 0.66666666666667 174.967 > 82 102 Lu 0.77777777777778 0.22222222222222 0.66666666666667 174.967 > 82 103 Lu 0.11111111111111 0.55555555555556 0.66666666666667 174.967 > 82 104 Lu 0.44444444444444 0.55555555555556 0.66666666666667 174.967 > 82 105 Lu 0.77777777777778 0.55555555555556 0.66666666666667 174.967 > 82 106 Lu 0.11111111111111 0.88888888888889 0.66666666666667 174.967 > 82 107 Lu 0.44444444444444 0.88888888888889 0.66666666666667 174.967 > 82 108 Lu 0.77777777777778 0.88888888888889 0.66666666666667 174.967 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.0414132 -0.0000000 0.0000000 0.0000000 6.0414132 0.0000000 0.0000000 0.0000000 4.3973364 -------------------------- Born effective charges -------------------------- 1 Na 1.0741427 0.0000000 0.0000000 0.0000000 1.0741427 0.0000000 0.0000000 0.0000000 1.6399651 2 S -2.6879281 -0.0000000 0.0000000 0.0000000 -2.6879281 0.0000000 0.0000000 0.0000000 -1.7688007 3 S -2.6879281 -0.0000000 0.0000000 0.0000000 -2.6879281 0.0000000 0.0000000 0.0000000 -1.7688007 4 Lu 4.3017135 -0.0000000 0.0000000 0.0000000 4.3017135 0.0000000 0.0000000 0.0000000 1.8976363 ---------------------------------------------------------------------------- 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[ 28, 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 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:10:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:10:27]------------------------- 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 1.924127309750839 1.110895420239755 6.576880549999993 b -1.924127309750836 1.110895420239755 6.576880549999993 c 0.000000000000002 -2.221790840479514 6.576880549999993 Atomic positions (fractional): 1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 2 S 0.74107543898725 0.74107543898725 0.74107543898725 32.065 3 S 0.25892456101275 0.25892456101275 0.25892456101275 32.065 4 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.544763858505025 0.000000000000000 0.000000000000000 b -5.772381929252514 9.998058782157807 0.000000000000000 c 0.000000000000000 0.000000000000000 19.730641649999999 Atomic positions (fractional): 1 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 1 2 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 1 3 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 1 4 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 1 5 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 1 6 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 1 7 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 1 8 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 1 9 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 1 10 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 11 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 1 12 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 1 13 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 1 14 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 1 15 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 1 16 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 1 17 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 1 18 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 1 19 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 1 20 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 1 21 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 1 22 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 1 23 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 1 24 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 1 25 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 1 26 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 1 27 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 1 28 S 0.22222222222222 0.11111111111111 0.07440877232058 32.065 > 28 29 S 0.55555555555556 0.11111111111111 0.07440877232058 32.065 > 28 30 S 0.88888888888889 0.11111111111111 0.07440877232058 32.065 > 28 31 S 0.22222222222222 0.44444444444444 0.07440877232058 32.065 > 28 32 S 0.55555555555556 0.44444444444444 0.07440877232058 32.065 > 28 33 S 0.88888888888889 0.44444444444444 0.07440877232058 32.065 > 28 34 S 0.22222222222222 0.77777777777778 0.07440877232058 32.065 > 28 35 S 0.55555555555556 0.77777777777778 0.07440877232058 32.065 > 28 36 S 0.88888888888889 0.77777777777778 0.07440877232058 32.065 > 28 37 S 0.00000000000000 0.00000000000000 0.25892456101275 32.065 > 37 38 S 0.33333333333333 0.00000000000000 0.25892456101275 32.065 > 37 39 S 0.66666666666667 0.00000000000000 0.25892456101275 32.065 > 37 40 S 0.00000000000000 0.33333333333333 0.25892456101275 32.065 > 37 41 S 0.33333333333333 0.33333333333333 0.25892456101275 32.065 > 37 42 S 0.66666666666667 0.33333333333333 0.25892456101275 32.065 > 37 43 S 0.00000000000000 0.66666666666667 0.25892456101275 32.065 > 37 44 S 0.33333333333333 0.66666666666667 0.25892456101275 32.065 > 37 45 S 0.66666666666667 0.66666666666667 0.25892456101275 32.065 > 37 46 S 0.11111111111111 0.22222222222222 0.40774210565391 32.065 > 28 47 S 0.44444444444444 0.22222222222222 0.40774210565391 32.065 > 28 48 S 0.77777777777778 0.22222222222222 0.40774210565391 32.065 > 28 49 S 0.11111111111111 0.55555555555556 0.40774210565391 32.065 > 28 50 S 0.44444444444444 0.55555555555556 0.40774210565391 32.065 > 28 51 S 0.77777777777778 0.55555555555556 0.40774210565391 32.065 > 28 52 S 0.11111111111111 0.88888888888889 0.40774210565391 32.065 > 28 53 S 0.44444444444444 0.88888888888889 0.40774210565391 32.065 > 28 54 S 0.77777777777778 0.88888888888889 0.40774210565391 32.065 > 28 55 S 0.22222222222222 0.11111111111111 0.59225789434609 32.065 > 37 56 S 0.55555555555556 0.11111111111111 0.59225789434609 32.065 > 37 57 S 0.88888888888889 0.11111111111111 0.59225789434609 32.065 > 37 58 S 0.22222222222222 0.44444444444444 0.59225789434609 32.065 > 37 59 S 0.55555555555556 0.44444444444444 0.59225789434609 32.065 > 37 60 S 0.88888888888889 0.44444444444444 0.59225789434609 32.065 > 37 61 S 0.22222222222222 0.77777777777778 0.59225789434609 32.065 > 37 62 S 0.55555555555556 0.77777777777778 0.59225789434609 32.065 > 37 63 S 0.88888888888889 0.77777777777778 0.59225789434609 32.065 > 37 64 S 0.00000000000000 0.00000000000000 0.74107543898725 32.065 > 28 65 S 0.33333333333333 0.00000000000000 0.74107543898725 32.065 > 28 66 S 0.66666666666667 0.00000000000000 0.74107543898725 32.065 > 28 67 S 0.00000000000000 0.33333333333333 0.74107543898725 32.065 > 28 68 S 0.33333333333333 0.33333333333333 0.74107543898725 32.065 > 28 69 S 0.66666666666667 0.33333333333333 0.74107543898725 32.065 > 28 70 S 0.00000000000000 0.66666666666667 0.74107543898725 32.065 > 28 71 S 0.33333333333333 0.66666666666667 0.74107543898725 32.065 > 28 72 S 0.66666666666667 0.66666666666667 0.74107543898725 32.065 > 28 73 S 0.11111111111111 0.22222222222222 0.92559122767942 32.065 > 37 74 S 0.44444444444444 0.22222222222222 0.92559122767942 32.065 > 37 75 S 0.77777777777778 0.22222222222222 0.92559122767942 32.065 > 37 76 S 0.11111111111111 0.55555555555556 0.92559122767942 32.065 > 37 77 S 0.44444444444444 0.55555555555556 0.92559122767942 32.065 > 37 78 S 0.77777777777778 0.55555555555556 0.92559122767942 32.065 > 37 79 S 0.11111111111111 0.88888888888889 0.92559122767942 32.065 > 37 80 S 0.44444444444444 0.88888888888889 0.92559122767942 32.065 > 37 81 S 0.77777777777778 0.88888888888889 0.92559122767942 32.065 > 37 82 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 > 82 83 Lu 0.33333333333333 0.00000000000000 0.00000000000000 174.967 > 82 84 Lu 0.66666666666667 0.00000000000000 0.00000000000000 174.967 > 82 85 Lu 0.00000000000000 0.33333333333333 0.00000000000000 174.967 > 82 86 Lu 0.33333333333333 0.33333333333333 0.00000000000000 174.967 > 82 87 Lu 0.66666666666667 0.33333333333333 0.00000000000000 174.967 > 82 88 Lu 0.00000000000000 0.66666666666667 0.00000000000000 174.967 > 82 89 Lu 0.33333333333333 0.66666666666667 0.00000000000000 174.967 > 82 90 Lu 0.66666666666667 0.66666666666667 0.00000000000000 174.967 > 82 91 Lu 0.22222222222222 0.11111111111111 0.33333333333333 174.967 > 82 92 Lu 0.55555555555556 0.11111111111111 0.33333333333333 174.967 > 82 93 Lu 0.88888888888889 0.11111111111111 0.33333333333333 174.967 > 82 94 Lu 0.22222222222222 0.44444444444444 0.33333333333333 174.967 > 82 95 Lu 0.55555555555556 0.44444444444444 0.33333333333333 174.967 > 82 96 Lu 0.88888888888889 0.44444444444444 0.33333333333333 174.967 > 82 97 Lu 0.22222222222222 0.77777777777778 0.33333333333333 174.967 > 82 98 Lu 0.55555555555556 0.77777777777778 0.33333333333333 174.967 > 82 99 Lu 0.88888888888889 0.77777777777778 0.33333333333333 174.967 > 82 100 Lu 0.11111111111111 0.22222222222222 0.66666666666667 174.967 > 82 101 Lu 0.44444444444444 0.22222222222222 0.66666666666667 174.967 > 82 102 Lu 0.77777777777778 0.22222222222222 0.66666666666667 174.967 > 82 103 Lu 0.11111111111111 0.55555555555556 0.66666666666667 174.967 > 82 104 Lu 0.44444444444444 0.55555555555556 0.66666666666667 174.967 > 82 105 Lu 0.77777777777778 0.55555555555556 0.66666666666667 174.967 > 82 106 Lu 0.11111111111111 0.88888888888889 0.66666666666667 174.967 > 82 107 Lu 0.44444444444444 0.88888888888889 0.66666666666667 174.967 > 82 108 Lu 0.77777777777778 0.88888888888889 0.66666666666667 174.967 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.0414132 -0.0000000 0.0000000 0.0000000 6.0414132 0.0000000 0.0000000 0.0000000 4.3973364 -------------------------- Born effective charges -------------------------- 1 Na 1.0741427 0.0000000 0.0000000 0.0000000 1.0741427 0.0000000 0.0000000 0.0000000 1.6399651 2 S -2.6879281 -0.0000000 0.0000000 0.0000000 -2.6879281 0.0000000 0.0000000 0.0000000 -1.7688007 3 S -2.6879281 -0.0000000 0.0000000 0.0000000 -2.6879281 0.0000000 0.0000000 0.0000000 -1.7688007 4 Lu 4.3017135 -0.0000000 0.0000000 0.0000000 4.3017135 0.0000000 0.0000000 0.0000000 1.8976363 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 15 15 15 ] 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: 0.95, Number of G-points: 313, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/344) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.663 ( 0.000 0.000 0.000) 0.000 3.663 ( 0.000 0.000 0.000) 0.000 5.709 ( 0.000 0.000 0.000) 0.000 5.784 ( 0.000 0.000 0.000) 0.000 5.784 ( 0.000 0.000 0.000) 0.000 6.716 ( 0.000 0.000 0.000) 0.000 6.716 ( 0.000 0.000 0.000) 0.000 7.427 ( 0.000 0.000 0.000) 0.000 8.538 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/344) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 21.110 12.188 0.666) 24.385 0.493 ( 21.328 12.314 0.183) 24.629 0.956 ( 39.376 22.733 7.097) 46.018 3.672 ( 0.734 0.424 0.170) 0.864 3.747 ( 4.763 2.750 -1.160) 5.621 5.675 ( -3.135 -1.810 1.721) 4.008 5.815 ( 2.330 1.345 1.854) 3.268 6.706 ( -0.637 -0.368 -0.948) 1.200 6.746 ( 2.020 1.166 0.308) 2.352 7.391 ( 0.734 0.424 -12.159) 12.188 8.497 ( -3.573 -2.063 0.992) 4.243 9.239 ( -2.300 -1.328 -1.525) 3.063 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 20.624 11.907 0.165) 23.815 0.983 ( 21.027 12.140 -1.259) 24.313 1.840 ( 34.964 20.186 3.323) 40.509 3.698 ( 1.442 0.833 0.332) 1.698 3.905 ( 9.175 5.297 -0.367) 10.601 5.582 ( -5.450 -3.146 2.853) 6.909 5.900 ( 4.156 2.400 3.506) 5.943 6.686 ( -0.477 -0.276 -2.008) 2.082 6.768 ( -1.178 -0.680 1.103) 1.751 7.401 ( 3.631 2.096 -6.098) 7.400 8.386 ( -6.282 -3.627 1.541) 7.416 9.147 ( -4.806 -2.775 -4.752) 7.306 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 18.991 10.964 -0.578) 21.936 1.443 ( 19.109 11.033 -3.062) 22.277 2.563 ( 26.952 15.560 -2.119) 31.193 3.740 ( 2.079 1.200 0.488) 2.450 4.171 ( 13.483 7.785 2.449) 15.761 5.448 ( -7.072 -4.083 4.346) 9.250 6.022 ( 4.991 2.882 4.787) 7.492 6.680 ( 0.907 0.524 -3.138) 3.308 6.699 ( -4.439 -2.563 1.646) 5.384 7.516 ( 6.554 3.784 -1.476) 7.710 8.225 ( -7.912 -4.568 1.641) 9.282 8.990 ( -6.414 -3.703 -8.991) 11.649 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 14.770 8.527 -4.618) 17.669 1.837 ( 15.823 9.136 -1.328) 18.319 3.070 ( 18.531 10.699 -4.991) 21.972 3.796 ( 2.489 1.437 0.603) 2.937 4.524 ( 15.220 8.787 3.941) 18.011 5.291 ( -7.909 -4.566 6.010) 10.932 6.153 ( 4.666 2.694 5.339) 7.586 6.618 ( -2.414 -1.394 2.607) 3.817 6.714 ( 3.086 1.782 -3.887) 5.273 7.639 ( 3.161 1.825 0.011) 3.651 8.036 ( -9.024 -5.210 1.797) 10.574 8.821 ( -4.233 -2.444 -11.421) 12.423 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 8.721 5.035 -4.978) 11.233 2.149 ( 11.503 6.641 -1.701) 13.390 3.424 ( 14.074 8.125 -3.041) 16.533 3.856 ( 2.415 1.394 0.590) 2.851 4.850 ( 11.229 6.483 1.463) 13.049 5.132 ( -7.600 -4.388 7.083) 11.278 6.267 ( 3.678 2.123 4.671) 6.313 6.627 ( 2.533 1.462 3.356) 4.452 6.792 ( 4.533 2.617 -3.586) 6.344 7.636 ( -2.672 -1.543 -2.756) 4.137 7.810 ( -11.155 -6.440 0.495) 12.890 8.758 ( 1.819 1.050 -7.720) 8.001 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 3.523 2.034 -3.560) 5.406 2.355 ( 6.819 3.937 -1.415) 8.000 3.716 ( 11.541 6.663 -0.079) 13.326 3.906 ( 1.736 1.002 0.412) 2.047 4.955 ( -5.391 -3.113 3.873) 7.332 5.070 ( 3.894 2.248 0.692) 4.550 6.352 ( 2.450 1.415 3.009) 4.130 6.753 ( 7.051 4.071 3.231) 8.759 6.884 ( 3.953 2.282 -2.348) 5.133 7.524 ( -11.296 -6.522 2.384) 13.259 7.545 ( -5.000 -2.887 -8.072) 9.925 8.821 ( 4.074 2.352 -2.553) 5.353 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 0.769 0.444 -1.219) 1.509 2.456 ( 2.241 1.294 -0.545) 2.645 3.927 ( 5.491 3.170 0.585) 6.367 3.935 ( 0.625 0.361 0.143) 0.736 4.841 ( -3.721 -2.148 1.894) 4.696 5.137 ( 1.445 0.834 -0.774) 1.839 6.398 ( 0.884 0.510 1.015) 1.439 6.945 ( 1.548 0.894 -0.793) 1.955 6.956 ( 9.144 5.279 2.332) 10.813 7.242 ( -11.040 -6.374 -1.535) 12.840 7.465 ( -1.473 -0.851 -2.283) 2.847 8.891 ( 1.826 1.054 -0.403) 2.146 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 0.000 23.448 9.151) 25.171 0.540 ( 0.000 24.096 8.327) 25.494 0.955 ( 0.000 44.485 7.130) 45.053 3.668 ( 0.000 0.697 -0.589) 0.912 3.751 ( 0.000 5.843 -0.482) 5.862 5.669 ( -0.000 -4.358 0.563) 4.394 5.785 ( 0.000 1.508 -3.895) 4.176 6.724 ( -0.000 -0.035 2.432) 2.432 6.741 ( 0.000 2.086 -0.683) 2.195 7.328 ( 0.000 5.273 -22.500) 23.109 8.502 ( -0.000 -4.190 1.893) 4.598 9.255 ( -0.000 -1.768 1.121) 2.093 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 8.621 20.466 6.620) 23.173 0.938 ( 10.367 22.761 3.067) 25.198 1.624 ( 21.621 35.351 5.538) 41.807 3.692 ( 1.454 1.563 -0.300) 2.156 3.849 ( 3.949 7.807 -0.496) 8.763 5.598 ( -1.978 -6.469 1.695) 6.974 5.854 ( 5.494 2.420 -2.317) 6.435 6.703 ( -1.939 0.357 0.735) 2.104 6.772 ( 0.578 -0.096 0.689) 0.905 7.335 ( 2.899 3.455 -13.480) 14.215 8.429 ( -3.299 -5.821 2.328) 7.085 9.193 ( -4.508 -2.415 -1.151) 5.242 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 14.493 16.862 2.218) 22.344 1.351 ( 11.936 19.206 0.517) 22.619 2.331 ( 21.949 25.700 0.141) 33.797 3.742 ( 1.378 3.362 0.088) 3.635 4.053 ( 9.941 9.100 1.551) 13.566 5.488 ( -3.337 -7.728 3.169) 8.994 5.984 ( 5.882 3.966 0.546) 7.115 6.679 ( -1.075 0.474 -1.379) 1.812 6.742 ( -2.594 -2.350 1.692) 3.888 7.426 ( 6.636 4.694 -6.700) 10.534 8.294 ( -5.665 -6.713 2.311) 9.083 9.047 ( -7.395 -3.482 -5.507) 9.856 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 14.414 13.624 -1.777) 19.913 1.727 ( 11.530 15.107 -0.508) 19.011 2.873 ( 17.087 16.698 -4.399) 24.293 3.805 ( 1.036 4.953 0.102) 5.061 4.377 ( 14.128 10.293 4.201) 17.978 5.353 ( -4.543 -8.147 4.695) 10.443 6.130 ( 5.017 4.712 3.056) 7.531 6.646 ( -1.419 -2.317 -0.355) 2.740 6.707 ( -0.890 3.253 -0.331) 3.389 7.574 ( 6.379 2.832 -2.643) 7.463 8.123 ( -7.029 -6.961 2.628) 10.236 8.849 ( -7.326 -3.613 -9.733) 12.706 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 9.885 8.165 -4.557) 13.607 2.056 ( 10.162 13.136 -0.726) 16.624 3.251 ( 13.683 9.963 -3.929) 17.376 3.878 ( 0.761 6.535 -0.014) 6.579 4.727 ( 12.451 8.732 3.085) 15.517 5.206 ( -5.166 -7.789 6.154) 11.191 6.265 ( 3.440 4.713 4.651) 7.462 6.629 ( 0.663 1.131 1.595) 2.065 6.755 ( 1.895 4.870 -2.821) 5.938 7.637 ( 0.339 -0.888 -3.877) 3.992 7.926 ( -9.133 -7.188 3.076) 12.023 8.707 ( -0.805 -1.627 -9.353) 9.528 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 5.506 3.777 -4.107) 7.839 2.317 ( 6.053 11.118 -1.376) 12.733 3.537 ( 12.133 4.174 -1.185) 12.886 3.964 ( 0.265 9.300 -0.281) 9.308 4.962 ( 5.101 3.715 -0.307) 6.318 5.070 ( -3.558 -5.818 6.791) 9.625 6.375 ( 1.574 5.437 4.511) 7.238 6.706 ( 4.241 4.267 1.862) 6.298 6.838 ( 3.149 4.154 -2.995) 6.012 7.564 ( -3.517 -2.454 -7.008) 8.216 7.674 ( -12.121 -6.919 2.053) 14.107 8.729 ( 5.705 -0.405 -4.094) 7.034 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 2.303 1.476 -2.397) 3.637 2.476 ( 1.292 8.772 -0.927) 8.915 3.729 ( 8.772 -2.605 -0.403) 9.159 4.073 ( -0.565 12.755 -0.925) 12.801 4.897 ( -5.360 -4.547 2.339) 7.407 5.106 ( 3.068 0.410 1.709) 3.536 6.451 ( -1.288 6.412 2.807) 7.117 6.864 ( 7.514 4.826 0.687) 8.957 6.914 ( 2.850 2.178 -1.117) 3.757 7.366 ( -11.132 -6.467 -4.734) 13.717 7.501 ( -3.736 0.016 0.119) 3.738 8.817 ( 5.640 -1.697 -1.171) 6.005 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 0.477 0.341 -0.361) 0.688 2.532 ( -3.299 6.270 0.132) 7.087 3.785 ( 3.852 -6.892 -1.564) 8.049 4.142 ( -5.977 10.658 -2.498) 12.472 4.810 ( -0.221 -1.266 -0.108) 1.289 5.143 ( 0.604 -1.024 3.512) 3.707 6.471 ( -4.132 5.755 0.424) 7.098 6.943 ( 1.061 -0.475 -0.424) 1.237 7.031 ( -1.560 -1.679 -0.465) 2.339 7.160 ( 1.081 2.844 -1.814) 3.542 7.480 ( -0.554 1.977 2.387) 3.149 8.859 ( 2.485 -3.905 -0.461) 4.652 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( -1.275 -1.012 1.638) 2.309 2.487 ( -7.895 3.495 1.249) 8.724 3.717 ( -1.594 -9.155 -2.730) 9.685 4.069 ( -10.075 6.971 -1.702) 12.369 4.864 ( 5.524 1.964 -3.571) 6.865 5.122 ( -3.250 -2.281 4.280) 5.838 6.427 ( -5.764 3.292 -1.925) 6.912 6.845 ( -8.922 -3.266 -2.774) 9.897 6.928 ( -2.071 -0.897 1.389) 2.650 7.384 ( 11.733 7.245 -0.537) 13.800 7.532 ( 2.271 2.377 5.574) 6.471 8.827 ( -0.358 -5.443 0.663) 5.495 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -5.016 -3.095 3.188) 6.700 2.334 ( -12.646 0.197 1.908) 12.791 3.539 ( -7.562 -8.415 -0.899) 11.349 3.964 ( -8.165 4.699 -0.346) 9.427 4.960 ( -2.389 -0.881 -1.877) 3.164 5.019 ( 0.633 -1.480 -2.122) 2.664 6.333 ( -6.010 0.783 -3.650) 7.075 6.681 ( -6.294 -0.504 -2.920) 6.956 6.867 ( -4.643 -0.586 2.706) 5.406 7.607 ( 4.158 3.441 -0.085) 5.398 7.674 ( 10.774 4.365 3.500) 12.140 8.772 ( -0.102 -4.436 4.291) 6.173 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( -11.549 -5.164 3.848) 13.223 2.067 ( -16.833 -2.974 1.455) 17.156 3.286 ( -13.623 -6.966 2.780) 15.551 3.876 ( -6.299 2.969 -0.232) 6.968 4.702 ( -15.498 -6.658 -1.826) 16.966 5.145 ( 9.308 1.466 -5.554) 10.938 6.218 ( -6.017 -0.060 -4.361) 7.432 6.608 ( -1.365 1.241 -2.526) 3.128 6.787 ( -5.009 -0.135 3.257) 5.976 7.654 ( -0.411 -0.559 -0.587) 0.909 7.908 ( 10.310 3.619 -0.397) 10.934 8.799 ( 3.995 -0.420 8.515) 9.415 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -20.119 -7.125 2.482) 21.487 1.737 ( -18.401 -3.377 1.392) 18.760 2.912 ( -23.589 -7.256 3.231) 24.891 3.802 ( -4.953 1.831 -0.369) 5.294 4.343 ( -15.880 -6.539 -2.399) 17.341 5.307 ( 9.615 0.849 -4.141) 10.503 6.094 ( -6.539 -0.135 -3.998) 7.665 6.639 ( 3.595 1.695 -1.476) 4.240 6.724 ( -3.241 0.224 2.703) 4.226 7.582 ( -4.807 -2.780 -1.148) 5.670 8.106 ( 9.382 2.608 -0.701) 9.763 8.939 ( 6.744 2.209 7.833) 10.569 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -22.754 -6.307 0.985) 23.633 1.354 ( -22.885 -2.026 1.022) 22.998 2.331 ( -35.461 -6.969 0.235) 36.140 3.739 ( -3.580 0.724 -0.335) 3.667 4.044 ( -11.951 -3.487 -0.401) 12.456 5.460 ( 8.570 0.121 -2.215) 8.853 5.969 ( -6.272 -0.151 -2.471) 6.743 6.697 ( -0.915 0.086 1.946) 2.152 6.727 ( 4.201 1.039 -1.085) 4.462 7.464 ( -4.921 -1.709 0.632) 5.247 8.280 ( 8.360 1.566 -0.588) 8.526 9.095 ( 6.023 1.786 3.881) 7.384 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -23.437 -0.000 0.000) 23.437 0.923 ( -25.656 -0.000 0.000) 25.656 1.595 ( -43.292 -0.000 0.000) 43.292 3.693 ( -2.015 -0.000 0.000) 2.015 3.852 ( -8.452 -0.000 0.000) 8.452 5.588 ( 6.578 0.000 -0.000) 6.578 5.866 ( -4.750 -0.000 0.000) 4.750 6.698 ( 0.460 0.000 -0.000) 0.460 6.769 ( -0.059 -0.000 0.000) 0.059 7.406 ( -0.951 -0.000 0.000) 0.951 8.417 ( 6.500 0.000 -0.000) 6.500 9.198 ( 4.016 0.000 -0.000) 4.016 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 0.000 22.551 7.217) 23.678 1.070 ( 0.000 23.568 6.641) 24.485 1.855 ( 0.000 40.815 4.916) 41.110 3.684 ( 0.000 1.434 -0.992) 1.744 3.912 ( 0.000 10.236 -0.008) 10.236 5.551 ( -0.000 -7.509 0.238) 7.513 5.800 ( 0.000 3.494 -5.660) 6.652 6.746 ( -0.000 -1.952 -1.026) 2.205 6.747 ( -0.000 0.377 3.527) 3.547 7.304 ( 0.000 5.591 -13.840) 14.927 8.399 ( -0.000 -7.553 2.601) 7.988 9.211 ( -0.000 -3.194 0.742) 3.279 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 3.299 22.276 6.159) 23.346 1.397 ( 6.764 20.482 3.153) 21.799 2.351 ( 10.024 33.388 1.402) 34.888 3.730 ( 3.255 2.580 -0.537) 4.188 4.048 ( 3.270 12.066 0.867) 12.531 5.453 ( -1.685 -8.887 1.481) 9.166 5.893 ( 7.084 4.221 -4.355) 9.326 6.693 ( -1.526 -3.335 -1.022) 3.807 6.762 ( -0.575 0.199 2.943) 3.005 7.358 ( 3.779 6.414 -9.926) 12.407 8.300 ( -2.856 -8.447 2.415) 9.238 9.124 ( -5.909 -3.610 -1.356) 7.056 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 6.927 19.107 2.239) 20.446 1.721 ( 8.323 17.135 1.433) 19.103 2.811 ( 10.565 22.317 -3.411) 24.926 3.827 ( 3.131 4.956 -0.290) 5.870 4.293 ( 9.528 13.360 3.168) 16.712 5.332 ( -2.353 -9.750 3.094) 10.496 6.067 ( 8.069 4.990 -1.241) 9.568 6.631 ( -0.737 -3.505 -1.242) 3.791 6.770 ( -1.113 3.362 2.047) 4.090 7.478 ( 6.171 4.069 -6.057) 9.556 8.156 ( -4.716 -8.449 2.465) 9.985 8.938 ( -9.420 -3.704 -5.068) 11.321 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 6.516 11.610 -2.268) 13.505 2.049 ( 8.694 17.147 1.376) 19.274 3.147 ( 9.790 13.040 -3.797) 16.742 3.930 ( 1.988 7.439 -0.615) 7.725 4.627 ( 11.486 11.899 3.004) 16.809 5.202 ( -2.788 -9.555 4.420) 10.891 6.245 ( 6.087 4.983 2.536) 8.265 6.612 ( 1.677 -0.137 -1.531) 2.275 6.809 ( -0.642 6.542 0.274) 6.579 7.574 ( 3.959 -0.412 -5.333) 6.655 7.994 ( -5.874 -7.730 3.709) 10.393 8.726 ( -7.393 -2.811 -7.303) 10.766 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 4.952 6.144 -3.250) 8.534 2.349 ( 6.007 16.055 0.079) 17.142 3.400 ( 9.278 6.291 -0.838) 11.241 4.048 ( 1.789 10.280 -0.729) 10.460 4.900 ( 7.610 7.183 -0.030) 10.465 5.078 ( -3.093 -8.415 5.171) 10.350 6.394 ( 4.314 4.857 5.037) 8.220 6.677 ( 4.195 3.671 -2.052) 5.941 6.871 ( -0.649 7.711 -1.147) 7.823 7.554 ( -1.093 -3.190 -7.442) 8.170 7.807 ( -9.277 -6.470 3.719) 11.906 8.627 ( 1.527 -1.923 -4.522) 5.145 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 2.953 3.092 -2.500) 4.953 2.567 ( 1.622 14.178 -0.442) 14.277 3.581 ( 7.244 0.586 0.638) 7.296 4.194 ( 1.582 13.182 -0.860) 13.304 4.945 ( -4.888 -4.976 1.942) 7.241 5.047 ( 4.511 0.124 0.940) 4.610 6.529 ( 2.637 6.294 4.670) 8.269 6.799 ( 5.429 4.612 -2.415) 7.522 6.921 ( -0.760 5.355 -0.925) 5.487 7.442 ( -5.625 -3.434 -7.590) 10.052 7.603 ( -8.201 -2.101 2.868) 8.939 8.674 ( 6.494 -3.434 -1.139) 7.434 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 1.177 1.454 -1.210) 2.228 2.684 ( -3.169 11.924 0.134) 12.339 3.660 ( 3.783 -3.733 -0.799) 5.375 4.326 ( -2.437 13.002 -2.982) 13.560 4.819 ( -3.515 -3.730 0.313) 5.135 5.111 ( 3.215 -1.631 3.710) 5.173 6.616 ( -2.759 7.201 1.449) 7.846 6.901 ( 3.072 0.567 -1.564) 3.493 6.985 ( 4.133 2.796 0.653) 5.032 7.257 ( -8.894 0.725 -4.043) 9.797 7.533 ( -2.121 2.063 1.992) 3.567 8.734 ( 5.489 -6.002 -0.516) 8.150 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -0.302 0.163 0.095) 0.356 2.695 ( -7.996 9.057 1.211) 12.142 3.636 ( 0.307 -6.346 -3.093) 7.066 4.307 ( -9.569 7.864 -4.400) 13.144 4.796 ( 2.676 0.378 -1.343) 3.017 5.149 ( 0.474 -1.680 6.417) 6.650 6.574 ( -7.195 3.020 -2.246) 8.120 6.942 ( -0.142 -0.035 1.896) 1.902 6.967 ( -5.903 -0.221 -1.115) 6.012 7.283 ( 6.784 8.272 -1.245) 10.770 7.552 ( 0.186 2.614 3.593) 4.447 8.734 ( 3.011 -7.926 -0.514) 8.494 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( -2.468 -1.295 1.199) 3.034 2.592 ( -12.906 5.207 1.905) 14.046 3.537 ( -2.620 -6.518 -3.443) 7.823 4.180 ( -10.315 5.177 -2.045) 11.721 4.872 ( 5.444 1.294 -3.469) 6.584 5.108 ( -5.994 -2.178 5.084) 8.155 6.444 ( -7.353 -0.353 -3.282) 8.060 6.810 ( -8.426 0.462 -1.252) 8.531 6.961 ( -3.617 3.454 2.494) 5.589 7.514 ( 10.403 6.463 -2.551) 12.511 7.610 ( 2.341 1.312 5.321) 5.960 8.699 ( 2.580 -7.274 1.151) 7.803 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -6.615 -2.409 1.701) 7.243 2.365 ( -17.471 1.182 1.574) 17.581 3.400 ( -6.161 -4.626 -0.894) 7.756 4.053 ( -9.129 3.851 -0.290) 9.912 4.910 ( -13.341 -2.741 0.414) 13.626 4.989 ( 6.981 -0.076 -2.602) 7.451 6.310 ( -6.081 -0.582 -2.887) 6.757 6.683 ( -6.305 1.251 -1.395) 6.578 6.909 ( -6.537 2.669 2.250) 7.410 7.646 ( 1.051 0.819 -1.057) 1.701 7.755 ( 10.469 2.160 1.198) 10.756 8.720 ( 5.462 -3.218 4.023) 7.509 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -13.736 -2.371 1.474) 14.017 2.039 ( -19.737 -0.715 0.479) 19.756 3.201 ( -13.729 -2.634 1.104) 14.023 3.937 ( -7.737 2.202 0.074) 8.044 4.586 ( -18.389 -3.266 -0.824) 18.695 5.131 ( 9.467 0.123 -2.150) 9.709 6.198 ( -6.066 0.080 -1.825) 6.335 6.622 ( -1.169 0.877 -0.883) 1.708 6.819 ( -6.146 1.006 1.405) 6.384 7.623 ( -2.693 -1.163 -0.968) 3.089 7.953 ( 10.192 1.126 -0.056) 10.254 8.842 ( 8.008 0.109 3.713) 8.828 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -22.398 -0.000 0.000) 22.398 1.709 ( -18.986 -0.000 0.000) 18.986 2.847 ( -26.073 -0.000 0.000) 26.073 3.828 ( -6.001 -0.000 0.000) 6.001 4.262 ( -15.793 -0.000 0.000) 15.793 5.296 ( 9.693 0.000 -0.000) 9.693 6.082 ( -6.939 -0.000 0.000) 6.939 6.653 ( 3.835 0.000 -0.000) 3.835 6.740 ( -3.576 -0.000 0.000) 3.576 7.544 ( -4.972 -0.000 0.000) 4.972 8.130 ( 9.549 0.000 -0.000) 9.549 8.991 ( 7.684 0.000 -0.000) 7.684 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 0.000 20.370 4.514) 20.864 1.557 ( 0.000 20.923 4.104) 21.322 2.616 ( 0.000 32.183 0.579) 32.188 3.713 ( 0.000 2.240 -1.074) 2.484 4.162 ( 0.000 14.663 1.561) 14.746 5.378 ( -0.000 -9.872 0.764) 9.901 5.859 ( 0.000 6.090 -4.559) 7.607 6.653 ( -0.000 -5.629 -0.999) 5.717 6.785 ( -0.000 1.133 2.880) 3.095 7.362 ( 0.000 7.124 -9.538) 11.905 8.243 ( -0.000 -9.287 2.081) 9.517 9.137 ( -0.000 -4.212 -0.509) 4.243 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 1.635 19.301 3.052) 19.609 1.784 ( 4.671 17.003 1.984) 17.744 2.923 ( 2.648 23.301 -3.048) 23.649 3.786 ( 5.150 3.298 -0.719) 6.158 4.353 ( 2.952 17.214 3.002) 17.721 5.269 ( -1.136 -10.349 1.989) 10.599 5.979 ( 6.848 6.900 -2.605) 10.064 6.594 ( -0.154 -4.522 -0.585) 4.563 6.811 ( 0.407 2.224 1.957) 2.990 7.422 ( 2.710 4.961 -7.759) 9.600 8.136 ( -2.296 -9.082 1.872) 9.553 9.032 ( -6.460 -4.207 -2.200) 8.017 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 1.914 11.726 -1.096) 11.931 2.093 ( 7.761 18.277 2.637) 20.030 3.151 ( 4.088 13.923 -3.894) 15.024 3.925 ( 5.816 5.008 -0.953) 7.733 4.619 ( 6.243 16.355 2.602) 17.698 5.154 ( -1.499 -9.491 3.462) 10.213 6.181 ( 8.010 6.701 0.833) 10.477 6.571 ( 1.558 -1.021 -1.202) 2.217 6.865 ( 1.428 4.627 0.713) 4.895 7.482 ( 3.452 0.326 -6.791) 7.625 8.005 ( -3.502 -7.909 2.626) 9.040 8.835 ( -9.813 -3.386 -4.104) 11.163 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 2.528 7.173 -2.264) 7.935 2.412 ( 7.067 17.394 1.597) 18.843 3.334 ( 5.942 7.141 -0.951) 9.339 4.078 ( 5.268 7.434 -0.907) 9.156 4.861 ( 5.478 8.263 -0.659) 9.935 5.061 ( -1.936 -5.148 4.240) 6.944 6.369 ( 5.679 4.984 4.670) 8.883 6.628 ( 4.277 3.486 -3.257) 6.407 6.951 ( 1.169 7.181 -0.679) 7.307 7.486 ( 1.700 -3.762 -7.412) 8.484 7.876 ( -4.749 -6.314 3.618) 8.690 8.640 ( -6.692 -2.166 -3.564) 7.885 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 2.367 4.264 -1.980) 5.263 2.680 ( 3.668 16.267 0.589) 16.686 3.486 ( 5.857 1.931 1.714) 6.401 4.257 ( 5.315 10.339 -0.092) 11.626 4.933 ( 1.954 -6.614 2.600) 7.371 5.028 ( -2.405 4.535 -2.414) 5.672 6.522 ( 5.126 4.291 5.205) 8.473 6.745 ( 4.988 4.810 -3.585) 7.802 7.015 ( -2.007 6.370 -1.513) 6.848 7.440 ( 0.108 -2.007 -7.266) 7.539 7.728 ( -7.470 -3.721 2.735) 8.782 8.561 ( 1.094 -3.108 -0.575) 3.344 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 1.393 2.468 -1.185) 3.072 2.860 ( -1.041 14.648 0.429) 14.692 3.572 ( 3.331 -2.174 1.251) 4.170 4.451 ( 2.863 12.476 -0.597) 12.814 4.856 ( -4.507 -4.380 0.930) 6.353 5.033 ( 2.899 -1.670 -0.941) 3.475 6.667 ( 4.106 4.731 2.165) 6.628 6.847 ( 3.460 1.382 -1.634) 4.068 7.001 ( -2.567 2.372 -1.071) 3.655 7.402 ( -4.500 5.042 -4.974) 8.391 7.605 ( -4.241 0.230 2.034) 4.709 8.574 ( 4.710 -6.250 0.517) 7.843 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 0.106 1.141 -0.430) 1.224 2.935 ( -6.330 12.152 1.269) 13.760 3.566 ( 0.412 -5.043 -1.463) 5.267 4.526 ( -7.674 8.849 -4.651) 12.603 4.766 ( 0.019 -1.187 -0.331) 1.232 5.098 ( 5.485 -2.444 5.043) 7.842 6.691 ( -5.061 0.558 -3.648) 6.264 6.922 ( 4.920 1.137 4.516) 6.775 6.999 ( -0.093 0.094 -1.188) 1.196 7.372 ( -5.023 10.947 -2.370) 12.275 7.592 ( -0.654 2.115 1.880) 2.904 8.579 ( 4.329 -8.794 -0.215) 9.804 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -1.328 0.014 0.166) 1.338 2.883 ( -12.034 7.819 1.894) 14.476 3.495 ( -0.929 -5.225 -3.217) 6.206 4.395 ( -10.494 3.622 -3.304) 11.583 4.803 ( 3.039 1.015 -1.427) 3.508 5.164 ( 0.598 -0.895 5.254) 5.363 6.552 ( -7.532 -1.685 -2.947) 8.261 6.928 ( -5.205 -0.663 0.241) 5.253 7.049 ( 1.667 4.178 2.697) 5.245 7.451 ( 2.574 9.218 -2.318) 9.848 7.614 ( 0.388 0.909 2.978) 3.138 8.559 ( 4.140 -8.223 -0.331) 9.212 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( -3.523 -0.598 0.427) 3.598 2.688 ( -16.683 2.597 1.104) 16.920 3.424 ( -1.914 -2.609 -1.734) 3.671 4.242 ( -9.457 1.910 -0.928) 9.693 4.872 ( 4.899 0.448 -1.414) 5.119 5.103 ( -8.412 -0.836 2.271) 8.753 6.404 ( -6.776 -1.003 -1.558) 7.025 6.812 ( -7.309 0.090 -0.243) 7.314 7.064 ( -5.564 3.451 1.481) 6.713 7.601 ( 7.362 4.429 -4.071) 9.507 7.642 ( 1.854 -1.502 4.289) 4.908 8.586 ( 6.284 -3.724 0.773) 7.346 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -7.347 -0.000 0.000) 7.347 2.385 ( -19.475 -0.000 0.000) 19.475 3.349 ( -5.564 -0.000 0.000) 5.564 4.094 ( -8.771 -0.000 0.000) 8.771 4.881 ( -16.285 -0.000 0.000) 16.285 4.979 ( 7.509 0.000 -0.000) 7.509 6.292 ( -5.480 -0.000 0.000) 5.480 6.692 ( -6.051 -0.000 0.000) 6.051 6.956 ( -8.091 -0.000 0.000) 8.091 7.644 ( -0.493 -0.000 0.000) 0.493 7.780 ( 10.183 0.000 -0.000) 10.183 8.702 ( 8.287 0.000 -0.000) 8.287 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 0.000 16.552 1.707) 16.639 1.939 ( 0.000 15.013 0.606) 15.026 3.108 ( 0.000 18.082 -4.649) 18.670 3.760 ( 0.000 3.084 -0.730) 3.170 4.528 ( 0.000 19.386 4.058) 19.806 5.183 ( -0.000 -9.809 2.413) 10.101 5.987 ( 0.000 8.672 -1.492) 8.800 6.551 ( -0.000 -3.514 0.296) 3.527 6.827 ( 0.000 1.607 0.970) 1.877 7.420 ( 0.000 3.671 -7.786) 8.608 8.071 ( -0.000 -8.621 1.431) 8.739 9.040 ( -0.000 -4.604 -2.030) 5.031 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -0.712 9.991 -1.631) 10.148 2.150 ( 6.191 15.298 1.164) 16.544 3.234 ( 0.064 11.093 -4.964) 12.153 3.849 ( 6.018 3.524 -0.893) 7.030 4.739 ( 1.248 15.977 2.763) 16.262 5.106 ( -0.769 -5.288 4.447) 6.952 6.133 ( 6.070 8.996 0.769) 10.879 6.537 ( 0.975 -0.664 0.358) 1.233 6.863 ( 2.149 2.181 -0.082) 3.063 7.425 ( 0.940 0.168 -7.463) 7.524 7.980 ( -1.660 -7.225 1.638) 7.592 8.931 ( -6.118 -4.116 -2.859) 7.908 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 0.391 6.040 -2.550) 6.568 2.440 ( 9.079 14.500 1.154) 17.147 3.324 ( 2.396 5.839 -2.008) 6.623 4.008 ( 8.106 4.070 -1.308) 9.164 4.851 ( 1.305 0.422 -0.573) 1.486 5.116 ( -1.791 7.940 5.304) 9.715 6.340 ( 6.200 7.074 4.093) 10.258 6.585 ( 3.448 3.566 -1.923) 5.320 6.950 ( 4.595 3.676 -0.821) 5.942 7.396 ( 0.793 -3.841 -7.340) 8.322 7.886 ( -2.544 -5.593 2.214) 6.531 8.751 ( -8.731 -2.653 -2.690) 9.514 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 1.570 3.882 -1.961) 4.624 2.741 ( 8.019 14.202 0.792) 16.329 3.421 ( 4.341 1.583 1.494) 4.856 4.203 ( 9.470 5.396 -0.535) 10.912 4.840 ( 1.629 -5.231 0.085) 5.479 5.162 ( -5.464 8.724 0.335) 10.299 6.499 ( 4.253 4.459 5.266) 8.106 6.702 ( 4.629 5.760 -3.361) 8.118 7.065 ( 2.585 4.499 -1.655) 5.447 7.351 ( 3.074 -4.139 -6.489) 8.288 7.791 ( -3.800 -4.078 1.876) 5.881 8.588 ( -6.343 -1.675 -0.612) 6.589 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 1.588 2.541 -1.041) 3.172 2.988 ( 3.773 13.831 0.200) 14.338 3.499 ( 3.549 -2.159 2.782) 5.000 4.442 ( 10.182 7.549 1.099) 12.723 4.823 ( 2.247 -5.132 1.111) 5.711 5.085 ( -8.991 3.102 -3.911) 10.284 6.632 ( 4.849 4.031 2.559) 6.806 6.805 ( 2.782 2.326 -1.527) 3.935 7.066 ( -3.109 0.403 -2.157) 3.806 7.423 ( 5.986 3.939 -4.356) 8.386 7.691 ( -4.761 -1.358 1.051) 5.061 8.496 ( -1.844 -3.493 1.303) 4.160 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 0.640 1.395 -0.412) 1.590 3.141 ( -1.856 12.641 0.592) 12.790 3.505 ( 0.687 -5.441 0.921) 5.561 4.670 ( 3.743 9.213 -0.156) 9.946 4.794 ( -4.702 -1.636 -0.187) 4.982 4.968 ( 2.585 -4.193 -0.766) 4.985 6.736 ( 0.040 2.519 -3.796) 4.556 6.841 ( 4.185 -1.853 4.061) 6.119 7.022 ( -1.759 1.043 -0.936) 2.249 7.538 ( -0.053 8.638 -2.643) 9.033 7.627 ( -1.976 0.799 0.839) 2.291 8.445 ( 1.041 -6.454 1.025) 6.618 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -0.578 0.428 -0.081) 0.724 3.160 ( -9.398 8.126 1.528) 12.518 3.444 ( 0.091 -5.326 -1.553) 5.549 4.604 ( -11.882 1.953 -2.302) 12.260 4.771 ( 1.682 1.147 -0.493) 2.095 5.087 ( 8.752 -1.230 2.731) 9.250 6.652 ( -6.426 -1.002 -2.005) 6.806 6.974 ( 7.092 0.402 3.929) 8.118 6.995 ( -1.516 0.502 -2.007) 2.565 7.570 ( -3.571 7.983 -1.554) 8.882 7.629 ( -0.577 0.070 1.338) 1.459 8.417 ( 3.137 -5.657 -0.025) 6.469 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -1.800 -0.000 0.000) 1.800 2.983 ( -14.795 -0.000 0.000) 14.795 3.420 ( 0.041 0.000 -0.000) 0.041 4.418 ( -10.215 -0.000 0.000) 10.215 4.809 ( 2.609 0.000 -0.000) 2.609 5.174 ( 0.620 0.000 -0.000) 0.620 6.520 ( -7.416 -0.000 0.000) 7.416 6.923 ( -5.368 -0.000 0.000) 5.368 7.105 ( 3.969 0.000 -0.000) 3.969 7.564 ( -1.284 -0.000 0.000) 1.284 7.621 ( 0.634 0.000 -0.000) 0.634 8.461 ( 5.322 0.000 -0.000) 5.322 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 0.000 6.609 -3.323) 7.397 2.205 ( 0.000 11.555 -0.401) 11.562 3.306 ( 0.000 6.557 -5.804) 8.757 3.826 ( 0.000 3.614 -0.097) 3.615 4.837 ( 0.000 2.010 0.880) 2.194 5.152 ( 0.000 10.059 7.470) 12.530 6.178 ( 0.000 10.053 1.873) 10.226 6.533 ( -0.000 1.165 1.487) 1.889 6.855 ( 0.000 1.095 -1.407) 1.782 7.388 ( 0.000 -1.687 -7.359) 7.550 7.933 ( -0.000 -5.877 1.254) 6.009 8.932 ( -0.000 -4.343 -2.930) 5.239 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( -1.304 3.439 -3.795) 5.284 2.398 ( 8.885 9.397 -0.728) 12.953 3.338 ( 0.546 3.142 -3.587) 4.799 3.913 ( 5.629 3.271 -0.498) 6.529 4.816 ( 0.087 -4.365 0.203) 4.370 5.299 ( -2.325 15.127 6.578) 16.658 6.335 ( 4.788 9.115 3.750) 10.958 6.575 ( 1.685 3.925 0.539) 4.305 6.888 ( 3.724 0.782 -2.002) 4.300 7.332 ( -0.406 -4.067 -6.912) 8.030 7.874 ( -1.278 -4.472 1.239) 4.813 8.835 ( -5.005 -3.400 -2.703) 6.627 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 1.013 2.101 -2.634) 3.518 2.676 ( 12.441 8.736 -0.190) 15.203 3.377 ( 2.492 0.711 -0.233) 2.602 4.069 ( 9.130 2.743 -0.901) 9.576 4.777 ( 0.465 -3.990 0.036) 4.017 5.376 ( -6.438 11.149 3.049) 13.231 6.502 ( 3.391 5.611 5.227) 8.385 6.679 ( 4.042 6.622 -2.227) 8.072 6.994 ( 7.801 1.419 -1.295) 8.034 7.251 ( -0.231 -5.525 -6.023) 8.176 7.808 ( -2.249 -3.320 0.980) 4.128 8.694 ( -7.003 -1.687 -1.290) 7.319 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 2.060 1.576 -1.172) 2.846 2.976 ( 11.241 8.737 -0.258) 14.240 3.429 ( 3.131 -1.606 2.097) 4.096 4.282 ( 12.722 2.700 -0.113) 13.006 4.755 ( 0.923 -2.875 -0.056) 3.020 5.308 ( -11.415 5.401 -0.561) 12.641 6.612 ( 3.013 3.716 2.916) 5.603 6.788 ( 2.202 3.751 -1.388) 4.566 7.091 ( -0.413 -0.358 -2.045) 2.117 7.266 ( 10.995 -0.851 -3.068) 11.447 7.740 ( -2.837 -1.796 0.375) 3.379 8.562 ( -6.550 -0.956 0.453) 6.635 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 1.563 0.841 -0.324) 1.804 3.216 ( 6.584 8.176 -0.665) 10.518 3.444 ( 0.586 -4.211 2.001) 4.699 4.562 ( 15.407 3.235 0.992) 15.774 4.750 ( 1.440 -2.288 -0.091) 2.705 5.104 ( -14.455 0.978 -1.844) 14.604 6.714 ( 4.499 3.122 -0.303) 5.485 6.805 ( -1.072 -1.540 0.713) 2.008 7.055 ( -1.477 0.107 -0.992) 1.782 7.478 ( 10.764 2.258 -1.258) 11.070 7.683 ( -2.631 0.069 -0.093) 2.633 8.449 ( -5.181 -1.679 0.868) 5.515 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 0.427 0.000 -0.000) 0.427 3.360 ( -6.104 -0.000 0.000) 6.104 3.364 ( 3.905 0.000 -0.000) 3.905 4.749 ( 0.310 0.000 -0.000) 0.310 4.848 ( -13.781 -0.000 0.000) 13.781 4.866 ( 15.325 0.000 -0.000) 15.325 6.739 ( -4.405 -0.000 0.000) 4.405 6.841 ( 7.496 0.000 -0.000) 7.496 7.031 ( -1.626 -0.000 0.000) 1.626 7.622 ( 3.652 0.000 -0.000) 3.652 7.647 ( -1.871 -0.000 0.000) 1.871 8.373 ( -1.655 -0.000 0.000) 1.655 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 0.000 0.046 -4.948) 4.948 2.379 ( 0.000 6.497 -1.142) 6.596 3.339 ( 0.000 0.781 -3.492) 3.579 3.896 ( 0.000 3.080 0.312) 3.096 4.772 ( -0.000 -4.146 0.367) 4.163 5.497 ( 0.000 14.168 6.244) 15.483 6.398 ( 0.000 9.356 4.211) 10.260 6.608 ( 0.000 4.649 1.836) 4.998 6.844 ( 0.000 -0.685 -3.477) 3.544 7.272 ( 0.000 -4.680 -5.990) 7.601 7.850 ( -0.000 -3.327 0.794) 3.420 8.834 ( -0.000 -3.305 -2.592) 4.200 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 0.538 -0.224 -3.272) 3.323 2.526 ( 10.354 4.273 -0.942) 11.240 3.343 ( 1.372 -0.233 -1.548) 2.082 3.967 ( 4.893 2.107 -0.056) 5.328 4.739 ( 0.148 -2.683 0.175) 2.693 5.597 ( -4.651 9.692 3.934) 11.447 6.528 ( 2.524 6.727 4.855) 8.671 6.682 ( 2.385 5.921 -0.046) 6.384 6.863 ( 5.283 -1.679 -2.701) 6.167 7.197 ( -1.031 -4.763 -4.691) 6.764 7.813 ( -1.238 -2.272 0.496) 2.634 8.765 ( -3.690 -2.005 -1.626) 4.503 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 2.381 0.312 -1.124) 2.651 2.790 ( 15.275 2.888 -0.319) 15.549 3.373 ( 2.621 -0.498 0.185) 2.674 4.104 ( 9.225 1.009 -0.274) 9.284 4.725 ( 0.372 -1.248 0.011) 1.303 5.549 ( -9.833 4.171 1.101) 10.738 6.617 ( 1.301 2.606 2.529) 3.858 6.787 ( 2.356 4.165 -1.062) 4.902 6.999 ( 11.931 -0.042 0.023) 11.931 7.120 ( -0.866 -3.618 -3.091) 4.837 7.767 ( -2.096 -1.118 0.174) 2.382 8.666 ( -5.722 -0.580 -0.339) 5.762 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 2.468 0.000 -0.000) 2.468 3.067 ( 13.757 0.000 -0.000) 13.757 3.413 ( 1.868 0.000 -0.000) 1.868 4.309 ( 13.914 0.000 -0.000) 13.914 4.726 ( 0.533 0.000 -0.000) 0.533 5.361 ( -13.777 -0.000 0.000) 13.777 6.665 ( 2.683 0.000 -0.000) 2.683 6.820 ( -0.341 -0.000 0.000) 0.341 7.071 ( -1.032 -0.000 0.000) 1.032 7.252 ( 14.884 0.000 -0.000) 14.884 7.723 ( -2.327 -0.000 0.000) 2.327 8.554 ( -6.736 -0.000 0.000) 6.736 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 0.000 -0.990 -2.326) 2.528 2.457 ( 0.000 2.054 -0.557) 2.128 3.321 ( 0.000 -0.459 -1.063) 1.158 3.943 ( 0.000 1.221 0.190) 1.236 4.719 ( -0.000 -1.315 0.107) 1.320 5.728 ( 0.000 5.349 2.417) 5.869 6.587 ( 0.000 5.869 4.180) 7.206 6.709 ( 0.000 3.227 1.094) 3.407 6.781 ( 0.000 -2.598 -3.851) 4.645 7.154 ( -0.000 -3.056 -2.653) 4.047 7.808 ( -0.000 -1.154 0.221) 1.175 8.774 ( -0.000 -1.284 -1.035) 1.649 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 1.725 0.000 -0.000) 1.725 2.564 ( 10.731 0.000 -0.000) 10.731 3.331 ( 1.696 0.000 -0.000) 1.696 3.989 ( 4.589 0.000 -0.000) 4.589 4.714 ( 0.188 0.000 -0.000) 0.188 5.711 ( -5.566 -0.000 0.000) 5.566 6.627 ( -0.031 -0.000 0.000) 0.031 6.773 ( 1.857 0.000 -0.000) 1.857 6.804 ( 8.311 0.000 -0.000) 8.311 7.121 ( -1.307 -0.000 0.000) 1.307 7.792 ( -1.248 -0.000 0.000) 1.248 8.738 ( -3.082 -0.000 0.000) 3.082 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.240 ( -0.000 -0.000 23.361) 23.361 0.240 ( -0.000 -0.000 23.361) 23.361 0.389 ( -0.000 -0.000 38.020) 38.020 3.661 ( 0.000 0.000 -0.448) 0.448 3.661 ( 0.000 0.000 -0.448) 0.448 5.772 ( 0.000 0.000 -2.305) 2.305 5.772 ( 0.000 0.000 -2.305) 2.305 6.400 ( 0.000 0.000 -5.275) 5.275 6.725 ( -0.000 -0.000 1.679) 1.679 6.725 ( -0.000 -0.000 1.679) 1.679 8.553 ( -0.000 -0.000 3.030) 3.030 9.276 ( 0.000 0.000 -0.730) 0.730 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 17.327 10.004 10.078) 22.403 0.558 ( 16.263 9.389 12.346) 22.473 1.078 ( 34.307 19.807 15.693) 42.609 3.671 ( 0.873 0.504 -0.306) 1.053 3.731 ( 5.138 2.967 -1.639) 6.155 5.694 ( -2.877 -1.661 1.338) 3.581 5.821 ( 3.465 2.001 -0.635) 4.051 6.706 ( -1.331 -0.769 0.848) 1.755 6.745 ( 3.068 1.772 -0.870) 3.648 7.142 ( 14.387 8.307 -31.114) 35.272 8.521 ( -3.728 -2.152 3.610) 5.618 9.226 ( -3.649 -2.107 -1.131) 4.363 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 18.510 10.687 4.010) 21.747 0.999 ( 19.006 10.973 4.346) 22.373 1.885 ( 31.503 18.188 5.082) 36.730 3.699 ( 1.586 0.916 -0.152) 1.838 3.906 ( 10.243 5.914 0.701) 11.849 5.610 ( -4.844 -2.797 2.260) 6.033 5.924 ( 5.233 3.021 1.008) 6.126 6.674 ( -1.278 -0.738 -0.219) 1.491 6.780 ( -1.009 -0.582 1.313) 1.755 7.289 ( 8.872 5.122 -15.168) 18.304 8.412 ( -6.584 -3.801 3.517) 8.376 9.097 ( -6.696 -3.866 -4.932) 9.171 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 17.521 10.116 -1.151) 20.264 1.440 ( 18.004 10.394 1.394) 20.836 2.539 ( 24.602 14.204 -2.717) 28.537 3.743 ( 2.222 1.283 0.036) 2.566 4.206 ( 14.571 8.412 4.474) 17.409 5.490 ( -6.254 -3.611 3.695) 8.112 6.061 ( 5.922 3.419 2.732) 7.364 6.655 ( 0.080 0.046 -1.693) 1.696 6.715 ( -4.100 -2.367 1.579) 4.991 7.476 ( 9.403 5.429 -6.213) 12.510 8.252 ( -8.071 -4.660 3.508) 9.958 8.893 ( -8.232 -4.753 -9.822) 13.668 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 14.017 8.093 -4.433) 16.782 1.828 ( 15.250 8.805 -0.456) 17.615 3.017 ( 18.546 10.707 -5.419) 22.090 3.800 ( 2.595 1.498 0.231) 3.006 4.572 ( 14.573 8.414 5.362) 17.661 5.351 ( -7.088 -4.092 5.546) 9.887 6.204 ( 5.087 2.937 4.429) 7.357 6.644 ( -1.988 -1.148 2.469) 3.371 6.676 ( 2.642 1.526 -3.370) 4.546 7.618 ( 3.144 1.815 -4.074) 5.457 8.067 ( -9.328 -5.386 4.252) 11.580 8.700 ( -3.732 -2.155 -12.113) 12.857 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 8.984 5.187 -5.370) 11.682 2.134 ( 11.351 6.554 -1.331) 13.175 3.387 ( 15.268 8.815 -4.247) 18.134 3.860 ( 2.439 1.408 0.343) 2.837 4.870 ( 9.438 5.449 2.499) 11.181 5.205 ( -7.199 -4.156 7.265) 11.040 6.317 ( 3.253 1.878 5.004) 6.257 6.659 ( 2.640 1.524 2.794) 4.135 6.753 ( 4.851 2.801 -4.054) 6.914 7.587 ( -3.286 -1.897 -6.460) 7.491 7.826 ( -12.487 -7.209 2.172) 14.581 8.683 ( 4.445 2.566 -6.822) 8.537 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 4.505 2.601 -4.089) 6.617 2.342 ( 7.041 4.065 -1.247) 8.226 3.694 ( 12.259 7.078 -4.063) 14.727 3.910 ( 1.677 0.968 0.322) 1.963 4.972 ( -2.878 -1.662 -0.216) 3.330 5.117 ( -0.301 -0.174 7.874) 7.881 6.387 ( 1.543 0.891 3.953) 4.335 6.779 ( 6.837 3.947 2.011) 8.147 6.856 ( 4.694 2.710 -3.211) 6.300 7.456 ( -6.966 -4.022 -8.991) 12.064 7.555 ( -9.097 -5.252 3.392) 11.039 8.795 ( 5.402 3.119 -2.470) 6.709 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 1.917 1.107 -1.880) 2.904 2.451 ( 2.679 1.547 -0.488) 3.132 3.894 ( 5.650 3.262 -6.807) 9.428 3.937 ( 0.512 0.296 0.183) 0.619 4.854 ( -4.589 -2.650 0.410) 5.315 5.167 ( 0.857 0.495 6.675) 6.748 6.414 ( -0.153 -0.088 2.194) 2.201 6.932 ( 2.375 1.371 -1.763) 3.260 6.974 ( 8.947 5.165 1.214) 10.402 7.202 ( -10.248 -5.917 -6.253) 13.384 7.474 ( -0.800 -0.462 3.632) 3.747 8.882 ( 2.297 1.326 -1.273) 2.941 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 0.400 0.231 0.441) 0.638 2.462 ( -1.785 -1.031 0.508) 2.123 3.882 ( -4.167 -2.406 -7.963) 9.303 3.934 ( -0.770 -0.445 -0.080) 0.893 4.821 ( 2.047 1.182 -1.924) 3.048 5.178 ( -2.249 -1.299 7.010) 7.476 6.394 ( -1.961 -1.132 0.233) 2.276 6.925 ( -9.492 -5.480 -3.924) 11.642 6.948 ( -0.705 -0.407 -0.206) 0.840 7.241 ( 11.379 6.570 -1.130) 13.188 7.513 ( 2.464 1.423 6.342) 6.951 8.890 ( -1.146 -0.662 -0.525) 1.424 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( -2.501 -1.444 2.640) 3.913 2.370 ( -6.524 -3.767 1.342) 7.652 3.695 ( -9.266 -5.349 -4.220) 11.501 3.902 ( -1.866 -1.078 -0.437) 2.199 4.906 ( 5.517 3.185 -5.115) 8.169 5.094 ( -6.913 -3.991 4.609) 9.217 6.327 ( -3.506 -2.024 -1.840) 4.447 6.716 ( -7.003 -4.043 -3.991) 9.018 6.903 ( -3.142 -1.814 1.374) 3.879 7.498 ( 10.185 5.880 -2.572) 12.038 7.625 ( 5.426 3.133 7.461) 9.743 8.846 ( -2.280 -1.316 2.211) 3.438 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( -8.317 -4.802 3.909) 10.368 2.167 ( -11.473 -6.624 1.786) 13.367 3.445 ( -12.015 -6.937 1.015) 13.911 3.849 ( -2.465 -1.423 -0.743) 2.942 4.841 ( -12.713 -7.340 -0.251) 14.682 5.067 ( 7.090 4.093 -5.478) 9.850 6.224 ( -4.489 -2.592 -3.828) 6.443 6.593 ( -2.250 -1.299 -3.380) 4.263 6.824 ( -3.951 -2.281 2.793) 5.350 7.637 ( 2.669 1.541 -2.400) 3.906 7.821 ( 9.066 5.234 2.598) 10.786 8.834 ( 0.594 0.343 7.052) 7.085 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -16.011 -9.244 1.970) 18.592 1.870 ( -14.980 -8.649 3.933) 17.739 3.115 ( -18.347 -10.593 3.687) 21.504 3.788 ( -2.443 -1.410 -0.866) 2.951 4.493 ( -15.682 -9.054 -2.002) 18.219 5.233 ( 8.422 4.862 -5.193) 11.024 6.099 ( -4.909 -2.834 -5.249) 7.725 6.592 ( 2.826 1.631 -2.419) 4.061 6.752 ( -3.005 -1.735 3.642) 5.030 7.619 ( -2.978 -1.720 -3.779) 5.110 8.030 ( 8.503 4.909 0.395) 9.826 8.926 ( 4.487 2.591 9.124) 10.492 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -19.248 -11.113 2.429) 22.359 1.478 ( -19.565 -11.296 3.734) 22.898 2.584 ( -28.677 -16.557 1.982) 33.173 3.734 ( -1.978 -1.142 -0.829) 2.430 4.155 ( -12.609 -7.280 -0.800) 14.582 5.407 ( 7.712 4.453 -3.502) 9.569 5.968 ( -4.622 -2.669 -5.673) 7.789 6.682 ( 4.744 2.739 -1.632) 5.716 6.715 ( -1.284 -0.742 3.676) 3.964 7.505 ( -4.915 -2.838 -3.485) 6.660 8.218 ( 7.689 4.439 0.084) 8.879 9.071 ( 5.101 2.945 6.760) 8.966 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -20.771 -11.992 4.042) 24.323 1.014 ( -21.428 -12.371 4.522) 25.153 1.826 ( -36.460 -21.050 0.704) 42.107 3.693 ( -1.322 -0.763 -0.721) 1.688 3.910 ( -8.718 -5.033 0.385) 10.074 5.558 ( 5.970 3.447 -1.673) 7.094 5.855 ( -3.375 -1.948 -5.126) 6.439 6.713 ( -0.090 -0.052 3.149) 3.151 6.757 ( 1.428 0.824 -1.087) 1.975 7.405 ( -2.099 -1.212 -5.223) 5.758 8.381 ( 6.230 3.597 0.681) 7.226 9.189 ( 3.503 2.023 3.433) 5.306 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 0.000 20.917 12.851) 24.549 0.660 ( 0.000 19.304 14.311) 24.030 1.089 ( 0.000 36.130 18.036) 40.382 3.660 ( 0.000 0.586 -0.934) 1.103 3.740 ( 0.000 6.589 -1.321) 6.721 5.682 ( -0.000 -5.301 1.620) 5.543 5.739 ( 0.000 0.714 -5.040) 5.090 6.730 ( 0.000 2.927 -1.811) 3.442 6.753 ( -0.000 0.381 3.259) 3.282 7.034 ( 0.000 19.589 -30.515) 36.261 8.534 ( -0.000 -4.504 4.296) 6.225 9.255 ( -0.000 -1.299 -0.975) 1.624 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 5.701 18.324 11.629) 22.439 0.987 ( 7.932 21.397 6.573) 23.748 1.698 ( 19.300 31.196 8.380) 37.628 3.687 ( 1.865 1.520 -0.589) 2.477 3.844 ( 4.359 8.464 -0.186) 9.522 5.617 ( -1.354 -6.504 1.658) 6.847 5.822 ( 7.984 1.230 -3.691) 8.882 6.712 ( -2.688 0.269 1.026) 2.890 6.784 ( 0.682 0.216 1.639) 1.788 7.156 ( 6.464 9.567 -20.483) 23.513 8.462 ( -3.463 -6.317 4.179) 8.329 9.174 ( -6.300 -2.258 -2.574) 7.170 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 11.211 16.131 5.495) 20.398 1.366 ( 10.484 18.601 2.504) 21.499 2.330 ( 19.429 23.338 -0.615) 30.373 3.741 ( 1.510 3.378 -0.326) 3.715 4.078 ( 11.414 9.655 3.310) 15.312 5.519 ( -2.654 -7.403 2.590) 8.280 5.980 ( 8.308 3.124 -1.240) 8.963 6.671 ( -2.013 -0.291 -0.170) 2.041 6.760 ( -2.613 -1.662 1.758) 3.561 7.335 ( 9.947 7.551 -10.803) 16.512 8.326 ( -5.737 -7.164 3.815) 9.940 8.986 ( -10.005 -3.376 -6.501) 12.400 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 11.670 12.988 -0.729) 17.476 1.728 ( 10.876 15.487 0.850) 18.944 2.825 ( 16.343 16.371 -5.053) 23.678 3.804 ( 1.199 4.788 -0.285) 4.945 4.427 ( 14.502 9.822 5.551) 18.373 5.398 ( -3.658 -7.848 4.059) 9.562 6.154 ( 6.989 4.477 1.440) 8.424 6.636 ( -0.404 -1.746 -0.988) 2.046 6.715 ( -2.684 2.508 1.350) 3.913 7.530 ( 7.706 3.309 -5.954) 10.285 8.159 ( -6.653 -7.122 4.561) 10.761 8.746 ( -9.234 -2.795 -10.441) 14.216 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 9.008 8.501 -4.307) 13.113 2.052 ( 9.295 13.366 -0.028) 16.280 3.209 ( 14.272 11.290 -4.341) 18.708 3.876 ( 0.946 6.154 -0.284) 6.233 4.763 ( 11.421 7.201 3.756) 14.015 5.267 ( -4.260 -7.808 5.718) 10.574 6.310 ( 4.332 4.800 4.105) 7.659 6.636 ( 2.156 0.098 -0.268) 2.174 6.734 ( 0.162 5.394 -1.082) 5.504 7.581 ( -0.219 -1.661 -6.828) 7.031 7.964 ( -10.182 -7.490 4.074) 13.280 8.616 ( 0.757 0.508 -8.423) 8.472 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 5.727 4.665 -4.347) 8.571 2.306 ( 5.716 11.332 -0.744) 12.714 3.516 ( 12.239 5.929 -2.982) 13.923 3.959 ( 0.306 8.680 -0.688) 8.713 4.961 ( 3.844 2.252 -0.064) 4.455 5.145 ( -2.726 -6.335 7.757) 10.379 6.423 ( 1.055 5.357 4.886) 7.327 6.715 ( 5.175 2.834 -0.254) 5.906 6.810 ( 2.774 5.111 -2.199) 6.217 7.484 ( -4.197 -3.221 -8.467) 9.984 7.698 ( -12.025 -6.147 2.629) 13.759 8.691 ( 7.115 0.975 -3.138) 7.837 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 3.015 2.328 -2.862) 4.764 2.468 ( 1.449 9.121 -0.492) 9.248 3.709 ( 8.142 -1.274 -3.547) 8.972 4.054 ( -1.144 11.932 -2.658) 12.278 4.904 ( -5.060 -4.237 -0.758) 6.643 5.159 ( 2.897 -1.300 8.296) 8.883 6.483 ( -2.351 5.884 3.445) 7.212 6.855 ( 6.825 2.689 -2.186) 7.654 6.910 ( 4.443 4.445 0.226) 6.289 7.298 ( -9.367 -5.004 -7.974) 13.280 7.526 ( -4.375 -0.666 4.161) 6.074 8.803 ( 5.937 -1.161 -1.515) 6.237 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 1.412 0.929 -1.061) 1.995 2.535 ( -2.971 6.737 0.373) 7.372 3.752 ( 3.247 -6.281 -5.070) 8.701 4.101 ( -5.705 10.404 -5.067) 12.902 4.806 ( -1.087 -1.701 -0.782) 2.165 5.210 ( 0.534 -1.615 9.082) 9.240 6.480 ( -5.044 4.661 1.261) 6.983 6.934 ( 1.972 0.396 -1.266) 2.376 7.019 ( -6.178 -3.770 -2.154) 7.551 7.132 ( 5.772 5.900 -2.983) 8.776 7.522 ( 0.494 1.687 5.461) 5.737 8.850 ( 2.745 -3.615 -1.329) 4.730 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -0.198 -0.778 0.671) 1.046 2.500 ( -7.628 3.984 1.386) 8.716 3.674 ( -1.303 -8.291 -5.791) 10.196 4.044 ( -8.329 7.124 -3.044) 11.375 4.830 ( 3.935 1.460 -3.071) 5.201 5.184 ( -4.665 -3.035 7.741) 9.534 6.413 ( -6.452 2.059 -0.827) 6.823 6.811 ( -9.207 -2.371 -3.673) 10.192 6.939 ( -1.570 0.004 0.640) 1.695 7.370 ( 10.988 6.944 -1.903) 13.137 7.596 ( 3.356 1.954 6.706) 7.749 8.830 ( 0.862 -4.903 0.034) 4.979 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -4.109 -3.321 1.839) 5.594 2.354 ( -12.584 0.410 2.160) 12.775 3.520 ( -5.362 -7.542 -2.892) 9.695 3.957 ( -7.622 4.874 -0.967) 9.099 4.920 ( 3.663 1.582 -4.736) 6.192 5.033 ( -8.515 -4.592 3.832) 10.406 6.302 ( -6.654 0.200 -2.387) 7.072 6.650 ( -6.493 0.203 -3.215) 7.248 6.891 ( -4.161 -0.074 1.923) 4.585 7.580 ( 6.175 4.217 -4.110) 8.533 7.726 ( 7.306 2.271 5.585) 9.473 8.813 ( 2.274 -3.728 3.653) 5.693 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -10.657 -5.464 2.238) 12.183 2.086 ( -17.273 -3.577 2.306) 17.789 3.305 ( -11.679 -6.928 0.906) 13.610 3.873 ( -6.466 3.311 -0.472) 7.280 4.691 ( -16.800 -6.974 -0.284) 18.192 5.097 ( 8.879 2.280 -3.851) 9.943 6.178 ( -6.783 0.347 -3.504) 7.643 6.581 ( -1.210 1.787 -2.595) 3.375 6.818 ( -4.615 -0.285 2.842) 5.427 7.627 ( -0.668 -0.061 -4.437) 4.488 7.916 ( 9.325 2.811 1.809) 9.906 8.876 ( 5.595 -1.040 6.372) 8.543 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -20.393 -7.806 3.121) 22.058 1.753 ( -17.716 -4.351 1.600) 18.312 2.937 ( -23.602 -8.195 1.546) 25.032 3.798 ( -5.158 2.153 -0.492) 5.611 4.328 ( -15.784 -6.152 -0.571) 16.950 5.273 ( 9.675 2.107 -2.438) 10.198 6.052 ( -7.133 1.297 -4.213) 8.385 6.621 ( 3.813 2.262 -1.822) 4.793 6.755 ( -3.053 -0.679 3.202) 4.477 7.553 ( -4.493 -1.476 -4.430) 6.480 8.107 ( 9.107 2.416 0.717) 9.450 9.004 ( 6.834 -0.042 4.917) 8.420 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -22.370 -7.764 3.858) 23.991 1.370 ( -22.344 -3.347 2.109) 22.692 2.338 ( -35.752 -7.559 1.130) 36.560 3.735 ( -3.672 1.098 -0.449) 3.859 4.043 ( -11.661 -3.302 0.178) 12.121 5.447 ( 8.603 1.632 -0.273) 8.761 5.936 ( -6.577 2.377 -3.891) 8.003 6.704 ( 2.089 -0.128 -0.843) 2.257 6.733 ( 1.341 0.332 2.447) 2.810 7.439 ( -5.040 -0.408 -5.518) 7.484 8.282 ( 8.374 1.579 1.091) 8.592 9.123 ( 5.878 -1.057 1.495) 6.156 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 0.000 20.136 8.825) 21.985 1.149 ( 0.000 21.284 8.886) 23.064 1.918 ( 0.000 36.910 6.903) 37.550 3.673 ( 0.000 1.408 -1.145) 1.815 3.912 ( 0.000 10.925 0.166) 10.926 5.560 ( -0.000 -7.799 1.301) 7.907 5.744 ( 0.000 3.570 -5.199) 6.307 6.738 ( -0.000 -2.290 -0.592) 2.365 6.782 ( -0.000 0.314 3.284) 3.298 7.141 ( 0.000 11.089 -17.588) 20.792 8.432 ( -0.000 -8.306 4.015) 9.226 9.203 ( -0.000 -2.839 -2.309) 3.659 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 2.625 20.166 7.845) 21.797 1.434 ( 5.303 19.145 4.191) 20.303 2.361 ( 8.077 30.676 0.313) 31.723 3.724 ( 3.649 2.570 -0.699) 4.518 4.063 ( 3.982 12.819 2.190) 13.601 5.473 ( -0.969 -8.918 2.076) 9.207 5.851 ( 8.140 4.526 -3.792) 10.056 6.686 ( -1.488 -3.850 -0.401) 4.147 6.790 ( -0.881 0.362 2.451) 2.630 7.246 ( 5.328 9.627 -11.892) 16.201 8.330 ( -2.842 -9.208 3.421) 10.226 9.096 ( -7.329 -3.250 -4.158) 9.032 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 4.547 16.941 2.631) 17.737 1.742 ( 7.945 17.534 2.733) 19.443 2.770 ( 9.610 21.649 -4.743) 24.157 3.822 ( 3.136 4.816 -0.703) 5.790 4.333 ( 10.225 13.101 4.521) 17.223 5.365 ( -1.689 -9.622 3.241) 10.293 6.054 ( 9.695 5.571 -1.231) 11.249 6.622 ( -0.947 -3.555 -0.284) 3.690 6.789 ( -1.529 2.938 1.488) 3.631 7.408 ( 7.514 5.035 -7.564) 11.791 8.186 ( -4.235 -8.892 3.521) 10.460 8.876 ( -11.368 -2.848 -7.004) 13.652 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 5.162 11.229 -1.999) 12.519 2.066 ( 7.774 17.300 2.113) 19.083 3.106 ( 10.452 14.351 -4.195) 18.242 3.923 ( 2.052 7.227 -0.872) 7.563 4.660 ( 10.977 10.171 3.281) 15.320 5.248 ( -2.142 -9.592 4.421) 10.777 6.269 ( 7.751 6.035 2.115) 10.048 6.597 ( 1.341 -0.943 -1.144) 1.999 6.813 ( -1.248 6.067 0.305) 6.202 7.511 ( 3.778 -0.895 -7.092) 8.085 8.037 ( -5.345 -8.030 4.662) 10.713 8.648 ( -7.895 -0.800 -7.788) 11.118 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 4.583 6.824 -3.163) 8.807 2.354 ( 5.182 16.155 0.850) 16.987 3.388 ( 9.820 8.121 -1.604) 12.844 4.039 ( 1.746 10.270 -1.057) 10.470 4.902 ( 6.827 5.291 0.341) 8.644 5.130 ( -2.375 -9.121 5.074) 10.705 6.447 ( 4.665 5.429 5.150) 8.818 6.650 ( 4.567 2.616 -3.096) 6.106 6.863 ( -1.034 7.553 -0.547) 7.643 7.474 ( -1.462 -3.412 -8.294) 9.087 7.842 ( -9.986 -6.598 3.152) 12.377 8.586 ( 2.890 0.027 -3.443) 4.495 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 3.104 3.953 -2.587) 5.653 2.567 ( 1.341 14.447 0.363) 14.514 3.579 ( 6.538 1.852 -1.035) 6.873 4.178 ( 0.823 13.389 -2.174) 13.590 4.943 ( -4.460 -3.092 -1.859) 5.737 5.088 ( 5.104 -4.034 6.435) 9.151 6.575 ( 1.695 5.741 4.215) 7.321 6.770 ( 5.816 4.221 -3.152) 7.847 6.917 ( -0.104 5.555 -0.024) 5.556 7.361 ( -5.149 -2.282 -8.267) 10.003 7.634 ( -8.054 -2.467 3.312) 9.051 8.664 ( 6.675 -2.518 -0.870) 7.187 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 1.570 2.121 -1.547) 3.059 2.689 ( -3.033 12.353 0.827) 12.746 3.642 ( 2.447 -3.089 -2.799) 4.833 4.282 ( -3.776 12.795 -5.250) 14.336 4.815 ( -3.348 -3.582 -1.058) 5.016 5.173 ( 4.765 -2.820 8.109) 9.819 6.625 ( -3.820 5.152 0.503) 6.434 6.890 ( 4.092 2.922 -0.771) 5.087 6.992 ( 4.040 1.574 0.774) 4.404 7.206 ( -7.854 2.780 -5.807) 10.155 7.564 ( -1.648 1.280 3.872) 4.399 8.726 ( 5.172 -5.611 -0.973) 7.692 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 0.257 0.532 -0.534) 0.797 2.710 ( -7.784 9.499 1.746) 12.404 3.596 ( -0.508 -5.845 -4.753) 7.551 4.255 ( -8.547 8.434 -5.483) 13.200 4.783 ( 1.668 0.100 -1.326) 2.133 5.226 ( 0.394 -2.688 8.448) 8.874 6.554 ( -7.236 1.341 -1.609) 7.533 6.943 ( -6.249 -1.407 -1.900) 6.682 6.968 ( -0.740 3.914 1.458) 4.242 7.264 ( 7.372 8.035 -2.284) 11.141 7.595 ( 1.249 1.833 4.720) 5.215 8.726 ( 3.309 -7.599 -0.984) 8.346 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( -1.876 -1.275 0.236) 2.280 2.613 ( -12.863 5.187 2.292) 14.058 3.498 ( -1.988 -5.597 -4.127) 7.232 4.156 ( -9.029 5.804 -2.674) 11.062 4.841 ( 4.385 1.629 -2.798) 5.450 5.164 ( -7.204 -3.532 5.872) 9.942 6.419 ( -7.387 -0.662 -1.696) 7.608 6.791 ( -8.877 1.373 -2.312) 9.275 6.984 ( -3.770 3.899 2.014) 5.785 7.478 ( 9.018 5.763 -4.209) 11.501 7.666 ( 3.495 0.686 5.467) 6.524 8.709 ( 4.033 -6.952 0.782) 8.075 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -6.144 -2.754 0.502) 6.751 2.384 ( -17.554 0.499 2.055) 17.681 3.387 ( -4.886 -3.912 -1.602) 6.461 4.047 ( -8.574 4.172 -0.831) 9.571 4.903 ( -7.824 -1.075 -1.813) 8.102 4.984 ( -0.334 -1.580 1.675) 2.327 6.290 ( -6.395 0.010 -1.154) 6.498 6.663 ( -6.561 2.152 -2.403) 7.311 6.930 ( -6.363 2.165 1.939) 6.995 7.608 ( 2.434 2.220 -5.553) 6.456 7.786 ( 8.181 0.467 3.940) 9.093 8.754 ( 6.922 -4.072 2.617) 8.446 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( -13.044 -3.356 0.561) 13.480 2.049 ( -20.065 -1.530 1.463) 20.176 3.202 ( -13.191 -3.063 -0.828) 13.567 3.937 ( -7.682 2.284 -0.213) 8.018 4.584 ( -18.728 -3.014 0.574) 18.978 5.119 ( 9.317 1.592 -0.202) 9.454 6.183 ( -6.686 1.541 -1.039) 6.939 6.607 ( -1.075 1.888 -1.851) 2.854 6.836 ( -5.862 -0.278 1.817) 6.144 7.597 ( -2.539 0.673 -3.924) 4.722 7.961 ( 9.736 0.608 1.494) 9.868 8.867 ( 8.377 -2.548 1.107) 8.826 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -21.823 -1.915 1.299) 21.945 1.712 ( -18.968 -0.737 0.536) 18.990 2.838 ( -25.642 -1.116 -1.766) 25.727 3.828 ( -5.962 0.135 -0.036) 5.964 4.269 ( -15.977 0.762 1.547) 16.069 5.306 ( 9.705 1.637 1.917) 10.027 6.078 ( -7.330 2.502 -0.797) 7.786 6.645 ( 3.543 0.997 -1.342) 3.918 6.750 ( -3.065 -1.876 1.761) 4.002 7.526 ( -5.423 1.908 -3.411) 6.685 8.137 ( 9.582 -0.081 1.311) 9.672 8.978 ( 7.746 -3.386 -2.666) 8.865 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 0.000 18.622 4.439) 19.144 1.601 ( 0.000 18.803 4.660) 19.372 2.611 ( 0.000 29.532 -1.789) 29.586 3.703 ( 0.000 2.335 -0.976) 2.531 4.186 ( 0.000 15.686 3.235) 16.016 5.394 ( -0.000 -9.726 2.245) 9.982 5.820 ( 0.000 6.939 -2.991) 7.556 6.647 ( -0.000 -5.346 -0.051) 5.346 6.810 ( -0.000 0.614 1.963) 2.057 7.261 ( 0.000 9.350 -10.146) 13.797 8.267 ( -0.000 -10.081 2.601) 10.411 9.113 ( 0.000 -3.821 -4.191) 5.671 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 0.847 14.933 1.053) 14.994 1.815 ( 4.970 18.238 3.528) 19.229 2.881 ( 2.192 22.234 -5.226) 22.945 3.778 ( 5.186 3.239 -0.840) 6.172 4.392 ( 2.907 17.519 4.592) 18.343 5.297 ( -0.758 -10.081 3.335) 10.645 5.960 ( 7.387 8.001 -1.097) 10.945 6.594 ( -0.367 -4.280 0.654) 4.345 6.825 ( 0.306 1.614 0.890) 1.868 7.342 ( 3.295 5.804 -7.884) 10.329 8.156 ( -1.986 -9.596 2.187) 10.040 8.993 ( -7.252 -3.543 -5.458) 9.743 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 1.432 10.725 -1.573) 10.934 2.120 ( 7.675 17.568 2.608) 19.348 3.108 ( 4.893 14.962 -4.479) 16.367 3.914 ( 5.812 4.842 -1.146) 7.651 4.648 ( 5.353 14.888 2.887) 16.082 5.195 ( -1.267 -9.094 4.463) 10.209 6.194 ( 9.195 8.146 1.528) 12.379 6.565 ( 0.614 -1.574 0.112) 1.693 6.867 ( 1.211 4.067 -0.242) 4.250 7.412 ( 3.599 0.108 -6.987) 7.860 8.033 ( -2.672 -8.220 2.916) 9.122 8.783 ( -10.428 -1.972 -6.107) 12.244 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 2.419 7.265 -2.382) 8.019 2.429 ( 6.681 16.969 1.725) 18.319 3.323 ( 7.030 8.817 -1.096) 11.329 4.068 ( 5.482 7.593 -0.948) 9.413 4.855 ( 4.959 6.771 -0.394) 8.402 5.104 ( -2.456 -5.788 4.221) 7.573 6.420 ( 6.619 6.127 5.143) 10.383 6.596 ( 3.340 2.551 -2.836) 5.070 6.942 ( 1.002 6.669 -1.129) 6.837 7.409 ( 1.357 -3.720 -7.517) 8.496 7.911 ( -4.564 -6.999 3.108) 8.915 8.602 ( -5.933 -0.185 -3.778) 7.037 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 2.453 4.813 -1.914) 5.732 2.688 ( 3.385 16.060 1.033) 16.445 3.500 ( 5.808 3.173 0.950) 6.686 4.253 ( 5.134 11.150 -0.548) 12.287 4.958 ( 5.568 -4.380 1.996) 7.360 5.007 ( -5.932 -0.120 -1.237) 6.061 6.571 ( 4.245 3.255 4.146) 6.768 6.713 ( 5.491 5.644 -2.385) 8.227 7.001 ( -1.710 5.760 -1.278) 6.143 7.365 ( 0.108 -0.918 -7.341) 7.399 7.752 ( -7.406 -4.228 2.118) 8.787 8.557 ( 1.720 -1.871 -0.250) 2.553 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 1.517 3.017 -1.198) 3.583 2.868 ( -0.892 14.653 1.146) 14.725 3.579 ( 2.035 -1.575 0.042) 2.574 4.435 ( 0.789 13.303 -2.418) 13.544 4.853 ( -6.193 -3.895 -1.421) 7.453 5.046 ( 7.251 -3.878 3.404) 8.899 6.671 ( 2.391 2.795 -1.208) 3.872 6.850 ( 4.728 3.358 2.045) 6.149 6.990 ( -1.992 1.623 -1.086) 2.790 7.348 ( -3.643 6.769 -5.512) 9.458 7.628 ( -4.037 -0.503 2.434) 4.741 8.579 ( 4.196 -5.695 0.365) 7.083 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 0.267 1.518 -0.648) 1.672 2.952 ( -5.996 12.355 2.035) 13.883 3.546 ( -1.071 -4.777 -2.360) 5.435 4.473 ( -8.403 9.498 -5.510) 13.827 4.761 ( -0.078 -1.000 -0.608) 1.173 5.156 ( 6.967 -3.699 6.211) 10.040 6.657 ( -4.684 -0.084 -2.919) 5.520 6.968 ( 4.300 2.484 4.217) 6.514 6.983 ( 0.256 -0.507 -1.974) 2.054 7.344 ( -4.654 11.845 -2.998) 13.075 7.615 ( 0.018 1.361 2.592) 2.928 8.576 ( 3.796 -8.497 -0.376) 9.314 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -1.126 0.171 -0.318) 1.183 2.905 ( -12.108 7.480 2.408) 14.435 3.464 ( -1.204 -4.252 -3.005) 5.344 4.361 ( -9.706 5.115 -3.247) 11.441 4.790 ( 2.506 1.286 -1.233) 3.075 5.214 ( 0.420 -2.970 4.632) 5.518 6.531 ( -7.266 -1.142 -1.173) 7.448 6.919 ( -5.431 -0.028 -1.990) 5.784 7.077 ( 1.474 3.476 2.628) 4.600 7.421 ( 1.916 9.382 -3.470) 10.185 7.647 ( 1.285 0.240 3.367) 3.611 8.557 ( 4.438 -7.963 -0.188) 9.118 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( -3.394 -0.724 -0.357) 3.489 2.701 ( -16.783 1.509 1.423) 16.911 3.410 ( -1.647 -1.108 -0.948) 2.199 4.232 ( -9.070 2.899 -1.071) 9.582 4.860 ( 4.501 1.616 -1.143) 4.917 5.124 ( -8.579 -2.961 1.915) 9.276 6.398 ( -6.749 -0.189 0.549) 6.774 6.800 ( -7.441 0.883 -1.956) 7.745 7.076 ( -5.700 2.306 0.952) 6.222 7.548 ( 5.281 4.773 -5.889) 9.238 7.690 ( 3.709 -1.812 4.607) 6.186 8.592 ( 6.791 -4.240 0.443) 8.018 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -7.369 -0.543 -0.949) 7.449 2.388 ( -19.368 -1.116 0.650) 19.411 3.347 ( -6.034 0.661 -0.362) 6.081 4.092 ( -8.800 0.320 -0.380) 8.814 4.877 ( -14.706 -0.001 -0.720) 14.724 4.991 ( 6.495 0.592 2.198) 6.883 6.301 ( -5.674 1.005 1.819) 6.042 6.683 ( -5.998 1.145 -1.673) 6.332 6.956 ( -7.895 -1.328 0.022) 8.005 7.617 ( 0.765 2.434 -4.773) 5.412 7.800 ( 8.967 -1.445 3.327) 9.673 8.694 ( 7.927 -1.958 -1.504) 8.303 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( -13.844 1.098 -2.081) 14.042 2.039 ( -19.435 -0.142 0.491) 19.442 3.181 ( -14.803 2.226 -2.743) 15.218 3.935 ( -7.622 -2.120 -0.333) 7.918 4.601 ( -17.467 3.601 2.112) 17.959 5.161 ( 9.641 1.285 3.642) 10.385 6.219 ( -6.292 1.435 2.365) 6.873 6.623 ( -1.074 0.575 -0.614) 1.364 6.809 ( -5.961 -2.675 -0.427) 6.548 7.615 ( -2.306 2.799 -2.496) 4.403 7.964 ( 10.045 -1.481 2.085) 10.366 8.793 ( 7.250 -2.747 -5.874) 9.727 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 0.000 15.405 0.941) 15.434 1.939 ( 0.000 13.021 -0.521) 13.031 3.050 ( 0.000 17.429 -6.677) 18.664 3.755 ( 0.000 3.295 -0.405) 3.320 4.576 ( 0.000 19.118 5.291) 19.837 5.219 ( -0.000 -9.089 4.388) 10.093 5.981 ( 0.000 9.805 0.326) 9.810 6.562 ( -0.000 -3.176 1.778) 3.640 6.831 ( 0.000 0.821 -0.161) 0.836 7.342 ( 0.000 4.037 -7.385) 8.416 8.085 ( -0.000 -8.917 1.261) 9.006 9.001 ( 0.000 -3.930 -5.477) 6.741 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -0.869 8.857 -2.751) 9.315 2.157 ( 6.995 14.238 0.228) 15.865 3.181 ( 1.124 11.873 -5.283) 13.044 3.841 ( 5.574 3.591 -0.627) 6.660 4.768 ( 0.325 13.632 3.041) 13.970 5.160 ( -0.854 -3.563 6.004) 7.034 6.148 ( 6.557 10.168 2.150) 12.289 6.549 ( 0.199 -0.813 1.872) 2.050 6.857 ( 2.263 1.502 -1.161) 2.954 7.351 ( 1.019 0.089 -6.894) 6.970 7.995 ( -1.237 -7.366 1.205) 7.566 8.888 ( -6.211 -3.093 -5.456) 8.827 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 0.797 5.856 -3.017) 6.635 2.448 ( 9.645 13.785 0.340) 16.827 3.307 ( 3.868 7.090 -1.427) 8.202 3.997 ( 8.080 4.127 -0.921) 9.119 4.850 ( 0.772 0.365 0.363) 0.928 5.167 ( -3.186 6.735 4.801) 8.863 6.385 ( 7.371 8.312 4.764) 12.088 6.572 ( 1.626 2.539 -0.722) 3.101 6.937 ( 4.598 3.424 -1.666) 5.971 7.325 ( 0.777 -3.745 -6.643) 7.666 7.905 ( -2.057 -6.075 1.431) 6.572 8.717 ( -8.207 -1.208 -3.843) 9.142 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 2.003 4.213 -1.933) 5.050 2.746 ( 8.183 13.652 0.211) 15.918 3.438 ( 5.189 2.503 1.842) 6.048 4.200 ( 10.091 5.661 -0.023) 11.570 4.845 ( 2.055 -5.228 0.851) 5.681 5.161 ( -7.736 7.482 -0.599) 10.779 6.552 ( 3.201 3.306 4.619) 6.520 6.675 ( 5.123 6.634 -1.605) 8.534 7.046 ( 2.238 4.278 -2.125) 5.275 7.288 ( 3.316 -3.046 -5.825) 7.363 7.805 ( -3.675 -4.766 0.903) 6.086 8.581 ( -5.326 -0.540 -0.716) 5.400 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 1.808 2.930 -0.928) 3.566 2.990 ( 4.114 13.277 0.166) 13.901 3.525 ( 2.971 -1.752 2.305) 4.148 4.454 ( 10.159 8.166 1.085) 13.079 4.838 ( 3.360 -6.354 1.898) 7.434 5.043 ( -10.171 3.421 -4.324) 11.569 6.641 ( 3.171 3.126 -0.712) 4.509 6.812 ( 3.925 2.829 2.807) 5.594 7.042 ( -2.672 0.437 -2.628) 3.773 7.380 ( 5.925 5.589 -3.963) 9.058 7.699 ( -4.390 -2.052 0.585) 4.881 8.508 ( -1.603 -3.125 1.134) 3.691 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 0.709 1.673 -0.404) 1.861 3.149 ( -1.007 12.260 1.020) 12.344 3.511 ( -0.831 -5.433 0.288) 5.504 4.662 ( 0.732 10.259 -1.323) 10.370 4.787 ( -6.529 -1.435 -1.114) 6.777 4.972 ( 7.830 -5.240 1.427) 9.529 6.699 ( -0.349 2.220 -3.225) 3.930 6.884 ( 4.162 -2.153 3.962) 6.136 7.010 ( -1.258 1.854 -1.361) 2.621 7.511 ( 0.117 9.977 -2.534) 10.295 7.636 ( -1.419 -0.022 0.952) 1.709 8.455 ( 0.516 -6.451 0.824) 6.524 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( -0.568 0.589 -0.238) 0.852 3.177 ( -9.261 7.158 1.825) 11.846 3.429 ( -0.360 -4.433 -1.192) 4.604 4.583 ( -11.750 4.218 -1.898) 12.628 4.766 ( 1.505 1.351 -0.472) 2.077 5.110 ( 9.001 -3.559 1.781) 9.842 6.640 ( -5.988 0.356 -0.294) 6.006 6.960 ( 2.076 0.043 -3.681) 4.226 7.018 ( 3.086 -0.223 3.297) 4.521 7.553 ( -4.063 8.474 -1.909) 9.590 7.643 ( 0.226 -0.260 1.459) 1.499 8.419 ( 2.885 -5.609 0.330) 6.316 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -1.890 0.032 -0.400) 1.933 2.983 ( -14.717 -1.651 0.082) 14.810 3.426 ( 0.054 1.915 1.268) 2.297 4.419 ( -10.323 1.720 0.314) 10.470 4.810 ( 2.646 0.912 0.069) 2.800 5.168 ( 0.712 -2.641 -1.249) 3.007 6.529 ( -7.353 1.038 1.922) 7.671 6.910 ( -4.956 0.651 -2.442) 5.563 7.104 ( 3.552 -1.601 -0.303) 3.908 7.545 ( -2.061 3.391 -3.079) 5.023 7.636 ( 1.250 -3.245 2.185) 4.107 8.464 ( 5.206 -0.005 0.527) 5.233 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -3.846 0.401 -1.153) 4.035 2.680 ( -16.494 -3.628 -0.585) 16.899 3.444 ( -2.577 3.698 2.181) 5.007 4.250 ( -10.071 -1.077 0.675) 10.151 4.888 ( 5.284 0.950 1.753) 5.648 5.079 ( -7.437 -1.086 -2.505) 7.923 6.429 ( -6.780 1.708 3.405) 7.777 6.805 ( -7.014 0.853 -1.639) 7.253 7.048 ( -5.280 -4.464 -1.645) 7.108 7.576 ( 4.197 1.320 -5.928) 7.383 7.657 ( 5.032 -4.347 4.143) 7.835 8.577 ( 5.196 3.192 -0.914) 6.166 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -7.208 1.877 -2.708) 7.925 2.353 ( -17.234 -1.998 -0.786) 17.367 3.404 ( -8.026 4.963 0.040) 9.436 4.053 ( -9.576 -3.654 -0.261) 10.253 4.903 ( -12.207 2.887 -0.623) 12.559 5.027 ( 8.353 0.586 4.591) 9.549 6.347 ( -6.075 1.046 4.229) 7.476 6.689 ( -5.833 0.264 -0.251) 5.844 6.887 ( -6.552 -3.568 -1.909) 7.701 7.621 ( 2.132 0.617 -5.290) 5.737 7.770 ( 10.398 -4.095 3.316) 11.657 8.675 ( 3.364 2.562 -4.721) 6.338 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 0.000 5.572 -4.969) 7.466 2.197 ( 0.000 11.109 -1.098) 11.163 3.252 ( 0.000 7.601 -4.734) 8.954 3.826 ( 0.000 3.783 0.232) 3.790 4.852 ( -0.000 0.454 1.989) 2.040 5.228 ( 0.000 10.556 7.323) 12.847 6.204 ( 0.000 10.956 3.252) 11.428 6.557 ( -0.000 1.048 3.080) 3.253 6.835 ( 0.000 0.307 -2.419) 2.438 7.316 ( 0.000 -1.601 -6.630) 6.821 7.941 ( -0.000 -5.879 0.309) 5.887 8.891 ( 0.000 -3.345 -5.054) 6.061 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( -0.534 3.373 -4.454) 5.612 2.386 ( 9.309 9.219 -1.519) 13.189 3.311 ( 1.669 4.072 -1.717) 4.724 3.910 ( 5.116 3.399 -0.047) 6.143 4.825 ( -0.178 -4.702 1.519) 4.944 5.358 ( -3.285 14.125 4.982) 15.334 6.377 ( 5.367 9.886 4.535) 12.129 6.588 ( 0.151 3.229 1.937) 3.768 6.864 ( 4.302 0.397 -2.653) 5.070 7.265 ( -0.395 -3.688 -6.135) 7.169 7.880 ( -1.071 -4.576 -0.069) 4.700 8.802 ( -4.634 -2.271 -3.705) 6.352 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 1.744 2.617 -2.471) 3.999 2.669 ( 12.848 8.649 -1.255) 15.538 3.384 ( 3.724 0.997 1.627) 4.184 4.064 ( 9.106 2.852 -0.089) 9.542 4.783 ( 0.292 -4.342 1.085) 4.485 5.397 ( -8.066 10.555 0.944) 13.317 6.558 ( 2.863 4.593 5.501) 7.717 6.661 ( 3.565 6.925 -1.126) 7.870 6.979 ( 8.059 1.945 -1.606) 8.445 7.194 ( -0.039 -4.829 -5.200) 7.096 7.811 ( -2.113 -3.538 -0.464) 4.147 8.681 ( -6.222 -0.793 -1.310) 6.407 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 2.414 2.058 -0.882) 3.292 2.967 ( 11.310 8.621 -1.408) 14.291 3.456 ( 3.622 -2.082 3.214) 5.271 4.287 ( 13.369 2.569 1.036) 13.653 4.758 ( 0.861 -3.258 0.653) 3.433 5.293 ( -12.787 5.928 -2.294) 14.279 6.630 ( 1.671 2.899 0.579) 3.396 6.793 ( 3.092 3.711 2.359) 5.376 7.067 ( -0.977 0.119 -2.812) 2.980 7.240 ( 11.657 0.715 -2.071) 11.861 7.738 ( -2.755 -1.928 -0.758) 3.447 8.567 ( -5.940 -0.858 0.567) 6.028 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 1.635 1.129 -0.174) 1.995 3.206 ( 6.975 8.046 -1.262) 10.723 3.466 ( 0.109 -5.161 2.145) 5.590 4.575 ( 15.711 2.428 1.702) 15.988 4.750 ( 1.507 -2.673 0.258) 3.080 5.082 ( -14.872 2.874 -2.487) 15.350 6.696 ( 2.746 3.269 -2.453) 4.924 6.834 ( 0.226 -2.571 4.023) 4.780 7.042 ( -1.067 1.338 -1.589) 2.335 7.468 ( 10.755 3.479 -0.626) 11.321 7.679 ( -2.557 0.082 -0.699) 2.652 8.457 ( -5.088 -2.330 0.697) 5.640 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 0.389 0.171 0.000) 0.425 3.361 ( -5.559 1.929 0.065) 5.884 3.364 ( 3.553 -2.812 -0.066) 4.531 4.749 ( 0.260 0.015 0.009) 0.261 4.848 ( -11.725 -0.710 0.018) 11.746 4.866 ( 13.149 1.402 -0.026) 13.223 6.739 ( -2.972 3.159 -0.001) 4.337 6.841 ( 5.523 -3.197 0.009) 6.382 7.030 ( -1.262 0.409 -0.030) 1.327 7.624 ( 3.561 -0.028 0.476) 3.593 7.645 ( -1.850 1.148 -0.456) 2.224 8.373 ( -1.536 -0.784 0.002) 1.724 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -0.706 -0.286 -0.085) 0.766 3.147 ( -9.595 -8.646 -1.034) 12.957 3.460 ( 1.001 5.550 1.700) 5.890 4.628 ( -11.823 -0.067 2.361) 12.057 4.776 ( 1.853 -0.970 0.608) 2.178 5.055 ( 8.056 -0.529 -3.407) 8.762 6.680 ( -6.656 2.287 3.432) 7.830 6.924 ( 4.860 -0.706 -5.417) 7.311 7.015 ( 0.638 -1.170 1.564) 2.055 7.583 ( -3.543 -7.402 0.740) 8.240 7.617 ( -1.170 -0.275 -0.980) 1.550 8.419 ( 3.580 5.465 0.423) 6.547 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -1.722 0.068 -0.620) 1.831 2.868 ( -12.047 -8.058 -1.168) 14.540 3.527 ( -0.505 5.453 2.957) 6.223 4.426 ( -11.349 -2.543 2.721) 11.945 4.819 ( 3.772 -0.731 1.803) 4.244 5.110 ( 0.776 -0.293 -5.250) 5.315 6.589 ( -7.643 1.967 4.138) 8.911 6.912 ( -3.876 1.341 -2.843) 4.991 7.026 ( 0.804 -4.491 -1.745) 4.884 7.463 ( 2.135 -8.463 -0.131) 8.729 7.591 ( 0.060 -1.968 -1.354) 2.389 8.563 ( 3.767 8.162 0.465) 9.002 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( -3.264 1.208 -2.000) 4.015 2.576 ( -12.997 -5.383 -1.240) 14.122 3.566 ( -3.352 6.623 2.212) 7.745 4.195 ( -11.542 -4.890 0.752) 12.558 4.911 ( 6.587 -1.027 4.003) 7.776 5.064 ( -4.510 1.930 -3.457) 6.001 6.483 ( -7.191 -0.192 4.320) 8.391 6.814 ( -7.625 1.019 -0.485) 7.709 6.936 ( -3.744 -3.402 -2.094) 5.475 7.509 ( 9.008 -4.230 -4.612) 10.969 7.581 ( 3.443 -4.529 0.651) 5.726 8.687 ( 1.050 7.419 -1.259) 7.598 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 0.000 0.858 -5.010) 5.082 2.366 ( 0.000 6.700 -1.396) 6.844 3.319 ( 0.000 1.456 -0.543) 1.554 3.900 ( 0.000 3.053 0.411) 3.080 4.782 ( -0.000 -4.758 1.666) 5.041 5.547 ( 0.000 13.133 3.512) 13.594 6.443 ( 0.000 9.689 4.748) 10.789 6.636 ( 0.000 4.104 3.580) 5.446 6.805 ( 0.000 -1.156 -4.035) 4.197 7.213 ( 0.000 -3.865 -5.476) 6.702 7.849 ( -0.000 -3.218 -0.915) 3.346 8.807 ( 0.000 -2.243 -2.768) 3.562 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 1.242 0.966 -2.551) 2.997 2.514 ( 10.337 4.756 -1.323) 11.455 3.343 ( 1.972 -0.171 1.605) 2.548 3.968 ( 4.686 2.081 0.224) 5.132 4.747 ( 0.040 -3.220 1.286) 3.468 5.620 ( -5.252 8.785 0.636) 10.255 6.578 ( 2.643 5.933 4.755) 8.049 6.686 ( 0.667 5.214 0.791) 5.315 6.839 ( 6.647 -1.101 -1.721) 6.954 7.150 ( -1.038 -3.405 -4.453) 5.701 7.809 ( -1.186 -2.060 -1.384) 2.750 8.751 ( -3.357 -1.154 -1.015) 3.692 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 2.639 1.220 -0.436) 2.940 2.781 ( 15.146 3.493 -1.466) 15.613 3.390 ( 3.027 -1.404 3.019) 4.500 4.106 ( 9.355 0.995 0.646) 9.430 4.729 ( 0.257 -1.586 0.827) 1.807 5.545 ( -10.311 3.994 -1.917) 11.222 6.634 ( 0.585 0.686 0.725) 1.157 6.792 ( 2.754 4.369 2.008) 5.541 7.001 ( 12.533 0.330 0.404) 12.544 7.089 ( -1.320 -1.336 -2.932) 3.482 7.760 ( -2.021 -0.798 -1.533) 2.659 8.666 ( -5.476 -0.348 0.387) 5.501 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 2.389 0.496 0.339) 2.464 3.058 ( 13.741 1.022 -1.774) 13.893 3.423 ( 1.536 -2.138 2.021) 3.319 4.316 ( 13.915 -0.458 1.363) 13.989 4.729 ( 0.453 -0.086 0.486) 0.670 5.351 ( -13.415 1.054 -1.942) 13.596 6.655 ( 2.432 -0.731 -1.692) 3.051 6.837 ( -0.152 -0.754 3.150) 3.243 7.068 ( -0.911 1.734 -0.664) 2.068 7.256 ( 14.754 1.046 0.749) 14.810 7.717 ( -2.169 0.392 -1.255) 2.536 8.555 ( -6.883 -0.479 0.316) 6.907 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 1.408 -0.562 0.412) 1.571 3.218 ( 6.997 -7.592 -0.241) 10.327 3.427 ( 0.236 2.491 -1.320) 2.829 4.555 ( 14.488 -4.265 -0.224) 15.105 4.752 ( 1.281 2.081 0.351) 2.469 5.119 ( -13.361 0.982 1.072) 13.440 6.697 ( 5.114 -2.293 -2.935) 6.327 6.824 ( -1.546 -0.020 3.782) 4.086 7.061 ( -1.845 0.995 0.216) 2.107 7.493 ( 10.666 -1.149 1.713) 10.863 7.680 ( -2.359 0.111 -0.592) 2.435 8.440 ( -5.406 0.951 -0.894) 5.562 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 0.497 -1.122 0.352) 1.277 3.137 ( -2.428 -12.847 -0.087) 13.075 3.493 ( 2.166 5.102 -1.384) 5.713 4.666 ( 5.795 -8.973 -1.017) 10.730 4.791 ( -2.530 1.573 -0.659) 3.051 4.987 ( -2.262 4.296 2.728) 5.569 6.755 ( 5.011 -4.570 -1.646) 6.979 6.823 ( -1.065 3.672 2.144) 4.384 7.028 ( -1.881 -0.515 0.240) 1.965 7.563 ( -0.679 -7.385 2.260) 7.753 7.619 ( -2.103 -1.473 -0.753) 2.675 8.435 ( 1.681 6.336 -1.009) 6.632 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -0.200 -0.811 0.150) 0.849 2.926 ( -6.670 -11.950 -0.430) 13.692 3.576 ( 1.890 4.775 0.494) 5.159 4.561 ( -6.214 -8.901 1.928) 11.026 4.768 ( 0.317 1.093 0.092) 1.142 5.061 ( 3.142 2.523 -2.041) 4.517 6.724 ( -4.048 -2.610 2.137) 5.270 6.884 ( 3.581 1.297 -2.428) 4.517 7.007 ( -0.114 -0.234 0.379) 0.460 7.390 ( -5.503 -10.251 0.930) 11.672 7.578 ( -1.221 -2.480 -0.718) 2.855 8.580 ( 4.836 8.835 0.068) 10.072 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( -1.037 0.126 -0.702) 1.258 2.686 ( -8.335 -8.791 -0.564) 12.127 3.658 ( 0.951 6.061 1.190) 6.249 4.337 ( -10.216 -7.779 1.038) 12.882 4.810 ( 4.057 -0.869 1.333) 4.358 5.103 ( 0.182 2.020 -2.137) 2.946 6.597 ( -6.484 -4.799 2.178) 8.356 6.921 ( -0.282 1.348 -2.142) 2.547 6.978 ( -5.479 1.486 0.844) 5.739 7.284 ( 5.721 -8.153 -1.156) 10.027 7.528 ( -0.692 -3.060 -1.023) 3.300 8.737 ( 2.711 7.981 -0.004) 8.428 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 0.000 0.893 -0.885) 1.257 2.451 ( 0.000 2.593 -0.508) 2.642 3.329 ( -0.000 -0.499 2.626) 2.673 3.944 ( 0.000 1.058 0.097) 1.062 4.725 ( -0.000 -1.838 1.188) 2.188 5.733 ( 0.000 4.186 -1.555) 4.466 6.619 ( 0.000 3.231 1.422) 3.530 6.732 ( -0.000 1.690 3.364) 3.764 6.752 ( 0.000 -0.218 -1.325) 1.343 7.126 ( 0.000 -0.722 -2.931) 3.018 7.800 ( 0.000 -0.733 -1.868) 2.006 8.769 ( -0.000 -0.495 0.151) 0.517 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 1.584 1.483 1.130) 2.446 2.563 ( 10.517 0.659 -0.302) 10.542 3.350 ( 1.587 -0.491 3.630) 3.992 3.990 ( 4.762 -0.081 0.214) 4.768 4.719 ( 0.145 -0.406 0.950) 1.043 5.691 ( -5.424 -0.832 -3.780) 6.663 6.614 ( 0.516 -2.999 -2.390) 3.869 6.788 ( 2.533 -1.556 2.657) 3.987 6.813 ( 7.009 2.298 1.698) 7.569 7.120 ( -1.208 3.047 -0.306) 3.292 7.781 ( -1.194 0.487 -2.017) 2.394 8.744 ( -3.158 0.446 1.160) 3.393 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 1.931 0.464 1.576) 2.535 2.787 ( 14.901 -2.219 -0.927) 15.094 3.386 ( 1.738 -0.738 2.704) 3.298 4.111 ( 9.484 -1.042 1.222) 9.618 4.729 ( 0.348 1.001 0.741) 1.293 5.523 ( -8.836 -4.121 -3.886) 10.496 6.588 ( 1.782 -4.151 -2.952) 5.396 6.809 ( 2.469 -4.524 3.019) 5.973 6.999 ( 10.837 0.732 -0.022) 10.862 7.151 ( -0.236 5.833 3.090) 6.605 7.757 ( -1.949 1.501 -1.861) 3.085 8.673 ( -6.187 0.596 0.983) 6.293 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 1.640 -1.167 1.242) 2.365 2.971 ( 11.475 -8.399 -1.071) 14.261 3.415 ( 1.835 0.463 -0.488) 1.954 4.289 ( 11.994 -3.053 1.157) 12.430 4.759 ( 0.844 2.657 0.624) 2.857 5.305 ( -9.504 -4.636 -1.041) 10.626 6.577 ( 3.487 -4.601 -3.499) 6.750 6.815 ( 2.117 -3.871 3.499) 5.632 7.107 ( 0.430 0.913 0.933) 1.374 7.301 ( 9.906 2.503 3.763) 10.888 7.730 ( -2.597 1.765 -1.533) 3.494 8.558 ( -7.316 0.878 -0.280) 7.374 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 1.347 -2.153 0.971) 2.719 2.986 ( 3.962 -14.108 -0.196) 14.655 3.470 ( 3.555 2.179 -2.788) 5.016 4.432 ( 9.422 -7.367 -0.913) 11.995 4.815 ( 1.198 4.132 -0.545) 4.336 5.121 ( -7.156 -2.544 3.244) 8.258 6.596 ( 5.466 -4.681 -4.035) 8.251 6.835 ( 2.544 -2.487 3.945) 5.312 7.085 ( -3.496 0.084 1.560) 3.829 7.467 ( 5.760 -2.367 4.301) 7.568 7.677 ( -4.759 0.671 -1.611) 5.069 8.483 ( -2.144 3.884 -1.244) 4.608 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 1.181 -1.918 0.978) 2.456 2.860 ( -1.053 -14.579 0.363) 14.621 3.554 ( 4.364 2.424 -2.269) 5.483 4.447 ( 3.864 -11.650 -1.338) 12.347 4.839 ( -2.958 3.821 -2.045) 5.247 5.061 ( -0.197 0.643 4.118) 4.172 6.632 ( 5.296 -5.503 -4.212) 8.721 6.877 ( 2.779 -1.328 3.718) 4.828 7.012 ( -3.369 -2.340 1.145) 4.259 7.445 ( -6.178 -3.441 3.237) 7.777 7.589 ( -3.419 -0.839 -0.926) 3.641 8.569 ( 5.061 6.831 -0.544) 8.520 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -0.000 2.497 3.140) 4.012 2.462 ( -0.000 -1.587 0.502) 1.665 3.351 ( -0.000 0.206 4.869) 4.873 3.940 ( -0.000 -1.334 -0.245) 1.356 4.723 ( -0.000 0.873 0.924) 1.272 5.685 ( -0.000 -6.200 -6.062) 8.671 6.542 ( -0.000 -6.356 -4.657) 7.880 6.709 ( -0.000 -4.910 1.155) 5.044 6.822 ( -0.000 2.876 4.150) 5.049 7.179 ( 0.000 5.651 2.152) 6.047 7.795 ( 0.000 1.658 -2.253) 2.797 8.789 ( -0.000 1.704 1.984) 2.616 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -0.177 0.958 3.254) 3.397 2.532 ( 9.984 -3.900 0.328) 10.723 3.375 ( 0.459 -0.200 4.689) 4.716 3.969 ( 5.423 -2.064 0.443) 5.819 4.743 ( 0.171 2.297 0.868) 2.461 5.543 ( -3.820 -10.065 -6.676) 12.668 6.482 ( 2.567 -6.999 -4.113) 8.514 6.689 ( 3.625 -6.655 1.208) 7.674 6.891 ( 4.065 1.551 2.650) 5.094 7.243 ( -0.899 6.576 4.425) 7.977 7.799 ( -1.203 2.645 -2.300) 3.706 8.783 ( -4.048 2.271 1.882) 5.009 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 0.384 -1.808 2.329) 2.974 2.673 ( 11.935 -8.701 -0.941) 14.800 3.389 ( 0.822 -1.108 2.044) 2.466 4.082 ( 9.281 -2.776 1.659) 9.828 4.782 ( 0.478 3.781 0.916) 3.920 5.337 ( -4.554 -11.189 -4.630) 12.937 6.455 ( 3.343 -6.176 -3.962) 8.063 6.705 ( 4.949 -6.713 2.804) 8.799 7.004 ( 7.312 -1.155 0.665) 7.432 7.314 ( -0.260 6.583 6.171) 9.027 7.791 ( -2.228 3.308 -2.385) 4.647 8.706 ( -7.665 2.088 0.981) 8.004 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 1.244 -3.592 1.656) 4.146 2.730 ( 8.268 -14.406 -1.243) 16.657 3.409 ( 2.984 -1.169 -0.850) 3.316 4.211 ( 8.687 -5.444 0.899) 10.291 4.842 ( 1.009 5.107 0.493) 5.229 5.155 ( -2.969 -9.417 -1.011) 9.925 6.450 ( 4.280 -5.048 -4.301) 7.893 6.739 ( 4.760 -5.628 3.668) 8.233 7.078 ( 3.176 -4.493 0.847) 5.567 7.418 ( 2.622 5.125 6.659) 8.802 7.767 ( -3.790 3.497 -2.872) 5.903 8.593 ( -7.056 2.699 0.357) 7.563 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 2.302 -3.664 1.704) 4.651 2.677 ( 4.264 -16.282 -0.019) 16.831 3.466 ( 5.409 -0.944 -2.171) 5.904 4.255 ( 4.920 -9.670 -0.330) 10.855 4.908 ( -0.361 6.056 -2.181) 6.447 5.053 ( 0.396 -6.260 2.563) 6.776 6.471 ( 5.224 -4.705 -4.721) 8.468 6.780 ( 4.710 -5.008 3.107) 7.545 7.031 ( -1.872 -6.750 1.614) 7.188 7.511 ( -0.155 3.073 6.785) 7.450 7.696 ( -7.169 3.126 -3.493) 8.565 8.568 ( 0.530 4.604 0.831) 4.708 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( -0.000 0.139 3.809) 3.812 2.388 ( -0.000 -6.452 0.677) 6.487 3.389 ( -0.000 -0.823 6.263) 6.316 3.894 ( -0.000 -3.002 -0.145) 3.005 4.775 ( 0.000 3.715 0.968) 3.839 5.423 ( -0.000 -14.453 -8.205) 16.619 6.359 ( -0.000 -8.680 -3.299) 9.285 6.599 ( -0.000 -5.419 0.111) 5.420 6.875 ( -0.000 0.003 2.670) 2.670 7.332 ( 0.000 5.973 5.769) 8.304 7.833 ( 0.000 3.706 -2.428) 4.430 8.857 ( 0.000 3.543 1.899) 4.020 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -1.677 -3.778 2.595) 4.880 2.400 ( 8.261 -9.667 -0.272) 12.719 3.381 ( -0.851 -3.115 4.835) 5.814 3.920 ( 6.289 -3.169 0.944) 7.105 4.821 ( 0.221 4.094 1.253) 4.287 5.227 ( -1.310 -15.273 -7.354) 17.002 6.303 ( 4.165 -8.288 -2.451) 9.594 6.577 ( 2.879 -4.493 0.895) 5.411 6.904 ( 3.233 -1.382 1.111) 3.687 7.403 ( -0.332 4.774 6.918) 8.412 7.855 ( -1.429 4.729 -2.527) 5.549 8.855 ( -5.171 3.770 1.189) 6.509 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 0.263 -6.260 1.728) 6.500 2.425 ( 8.796 -14.955 -1.780) 17.441 3.346 ( 0.896 -5.211 2.217) 5.734 4.023 ( 8.057 -4.264 1.426) 9.227 4.862 ( 1.662 -1.007 1.514) 2.463 5.062 ( -0.626 -8.118 -5.085) 9.600 6.305 ( 5.090 -6.257 -2.626) 8.483 6.609 ( 4.698 -4.129 2.604) 6.775 6.953 ( 4.661 -3.982 -0.185) 6.133 7.471 ( 0.750 3.888 7.384) 8.379 7.860 ( -2.989 5.579 -3.004) 7.006 8.770 ( -8.694 3.659 1.062) 9.492 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 2.814 -6.944 1.751) 7.695 2.397 ( 7.778 -17.520 -1.213) 19.207 3.342 ( 4.717 -5.739 0.690) 7.461 4.086 ( 4.981 -7.397 0.703) 8.946 4.868 ( 6.242 -10.318 0.846) 12.089 5.021 ( -1.946 5.114 -3.587) 6.542 6.328 ( 4.721 -4.473 -3.448) 7.361 6.660 ( 4.473 -4.070 2.835) 6.679 6.955 ( 1.772 -7.522 0.217) 7.731 7.558 ( 1.849 3.296 6.640) 7.640 7.838 ( -5.209 6.187 -3.885) 8.972 8.672 ( -6.571 4.146 2.760) 8.245 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -0.000 -7.628 1.370) 7.751 2.205 ( -0.000 -12.082 -0.366) 12.088 3.365 ( -0.000 -6.746 5.569) 8.748 3.828 ( -0.000 -3.397 0.412) 3.422 4.834 ( -0.000 -4.860 0.240) 4.866 5.081 ( -0.000 -7.305 -6.188) 9.574 6.167 ( -0.000 -8.924 -0.344) 8.930 6.527 ( -0.000 -1.403 0.227) 1.421 6.863 ( -0.000 -1.958 0.326) 1.985 7.463 ( -0.000 2.000 7.320) 7.589 7.916 ( 0.000 6.291 -2.223) 6.672 8.948 ( 0.000 4.624 0.283) 4.632 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -0.289 -10.878 0.472) 10.892 2.134 ( 5.567 -16.158 -1.968) 17.203 3.278 ( -0.637 -11.182 3.534) 11.744 3.858 ( 6.291 -3.611 0.912) 7.311 4.713 ( 1.985 -17.864 -2.181) 18.106 5.073 ( -1.024 7.087 -1.815) 7.387 6.133 ( 5.336 -7.741 0.761) 9.432 6.541 ( 1.640 0.455 1.035) 1.992 6.859 ( 2.056 -2.899 -1.013) 3.696 7.500 ( 0.805 -0.236 7.307) 7.355 7.961 ( -1.974 7.539 -2.106) 8.073 8.944 ( -5.653 4.702 -0.219) 7.356 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 2.643 -12.469 0.371) 12.751 2.068 ( 8.158 -18.488 -2.242) 20.332 3.184 ( 3.749 -13.216 2.614) 13.984 3.933 ( 5.817 -5.274 0.583) 7.874 4.597 ( 6.723 -17.345 -1.797) 18.689 5.127 ( -2.182 9.362 -1.804) 9.781 6.177 ( 6.402 -5.568 0.099) 8.485 6.588 ( 2.185 0.506 1.924) 2.955 6.853 ( 1.883 -5.071 -1.498) 5.613 7.547 ( 2.887 -0.899 5.814) 6.554 7.980 ( -4.107 8.114 -2.261) 9.371 8.864 ( -8.429 4.747 1.609) 9.806 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -0.000 -17.547 -2.178) 17.682 1.927 ( -0.000 -16.329 -1.679) 16.415 3.141 ( -0.000 -19.320 1.638) 19.390 3.769 ( -0.000 -2.927 0.932) 3.072 4.496 ( -0.000 -19.095 -2.235) 19.225 5.172 ( 0.000 10.084 0.322) 10.089 6.010 ( -0.000 -7.503 3.144) 8.135 6.555 ( 0.000 3.677 0.975) 3.804 6.812 ( -0.000 -2.361 -2.035) 3.117 7.497 ( -0.000 -3.364 7.417) 8.144 8.056 ( 0.000 8.697 -1.589) 8.841 9.041 ( 0.000 5.056 -1.848) 5.383 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 3.038 -21.201 -3.580) 21.715 1.768 ( 4.176 -17.098 -1.480) 17.663 2.942 ( 3.624 -24.244 0.625) 24.521 3.792 ( 4.858 -3.370 0.577) 5.941 4.331 ( 2.789 -16.833 -1.209) 17.105 5.259 ( -1.931 10.036 0.131) 10.221 6.011 ( 5.945 -5.993 3.715) 9.223 6.604 ( 0.012 4.585 1.438) 4.806 6.786 ( 0.573 -2.725 -2.795) 3.945 7.496 ( 1.919 -4.466 6.642) 8.231 8.118 ( -2.442 8.922 -1.485) 9.369 9.037 ( -5.175 4.995 -1.405) 7.328 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -0.000 -21.657 -3.816) 21.990 1.517 ( -0.000 -22.163 -3.850) 22.495 2.603 ( -0.000 -33.546 -1.745) 33.591 3.724 ( -0.000 -2.227 1.027) 2.452 4.153 ( -0.000 -14.215 -0.359) 14.220 5.382 ( 0.000 9.509 1.478) 9.624 5.911 ( -0.000 -5.501 5.524) 7.796 6.666 ( 0.000 5.673 1.476) 5.862 6.752 ( 0.000 -1.464 -3.509) 3.802 7.449 ( -0.000 -5.648 7.341) 9.262 8.225 ( 0.000 8.879 -1.321) 8.977 9.123 ( 0.000 4.883 -3.369) 5.933 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( -0.000 -0.000 22.096) 22.096 0.471 ( -0.000 -0.000 22.096) 22.096 0.767 ( -0.000 -0.000 36.416) 36.416 3.654 ( 0.000 0.000 -0.872) 0.872 3.654 ( 0.000 0.000 -0.872) 0.872 5.739 ( 0.000 0.000 -4.020) 4.020 5.739 ( 0.000 0.000 -4.020) 4.020 6.323 ( 0.000 0.000 -9.635) 9.635 6.748 ( -0.000 -0.000 2.877) 2.877 6.748 ( -0.000 -0.000 2.877) 2.877 8.597 ( -0.000 -0.000 5.474) 5.474 9.265 ( 0.000 0.000 -1.485) 1.485 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 12.467 7.198 14.669) 20.553 0.723 ( 10.803 6.237 18.908) 22.652 1.256 ( 26.794 15.469 18.733) 36.168 3.666 ( 0.997 0.575 -0.798) 1.400 3.718 ( 5.702 3.292 -0.969) 6.655 5.694 ( -1.853 -1.070 -1.338) 2.524 5.803 ( 4.418 2.551 -2.897) 5.866 6.692 ( 13.427 7.752 -13.937) 20.847 6.722 ( -1.889 -1.090 2.394) 3.238 6.879 ( 10.630 6.137 -14.554) 19.039 8.568 ( -4.054 -2.341 5.634) 7.325 9.211 ( -4.462 -2.576 -1.968) 5.515 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 16.458 9.502 7.452) 20.413 1.067 ( 14.171 8.182 10.057) 19.207 1.934 ( 27.046 15.615 4.264) 31.520 3.695 ( 1.736 1.003 -0.672) 2.115 3.922 ( 11.771 6.796 2.471) 13.814 5.623 ( -3.978 -2.296 0.257) 4.600 5.920 ( 6.293 3.633 -1.715) 7.466 6.682 ( -2.044 -1.180 1.681) 2.897 6.795 ( -1.086 -0.627 1.610) 2.041 7.111 ( 14.875 8.588 -18.978) 25.596 8.456 ( -7.002 -4.042 5.120) 9.570 9.047 ( -8.644 -4.990 -5.045) 11.183 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 14.625 8.444 2.029) 17.009 1.463 ( 16.477 9.513 3.109) 19.279 2.507 ( 22.477 12.977 -3.652) 26.210 3.741 ( 2.395 1.383 -0.457) 2.803 4.260 ( 15.469 8.931 6.107) 18.877 5.520 ( -5.198 -3.001 1.978) 6.320 6.075 ( 7.190 4.151 -0.171) 8.305 6.648 ( -0.995 -0.574 0.440) 1.230 6.730 ( -3.786 -2.186 1.340) 4.573 7.395 ( 12.502 7.218 -9.415) 17.235 8.296 ( -7.970 -4.601 5.266) 10.603 8.794 ( -10.294 -5.943 -9.580) 15.266 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 12.590 7.269 -3.124) 14.869 1.828 ( 14.384 8.305 0.493) 16.616 2.962 ( 18.611 10.745 -5.185) 22.107 3.800 ( 2.752 1.589 -0.187) 3.184 4.630 ( 13.721 7.922 5.913) 16.911 5.400 ( -5.975 -3.450 4.123) 8.037 6.238 ( 6.342 3.662 2.197) 7.646 6.649 ( 1.502 0.867 -1.703) 2.431 6.667 ( -1.646 -0.950 2.021) 2.774 7.560 ( 3.159 1.824 -7.177) 8.051 8.118 ( -10.079 -5.819 5.616) 12.922 8.582 ( -2.651 -1.531 -10.723) 11.152 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 8.943 5.163 -4.877) 11.420 2.123 ( 11.044 6.376 -0.742) 12.775 3.341 ( 15.566 8.987 -4.673) 18.571 3.862 ( 2.535 1.464 0.045) 2.928 4.898 ( 7.663 4.424 2.791) 9.279 5.276 ( -6.083 -3.512 6.437) 9.527 6.366 ( 3.505 2.024 4.524) 6.070 6.683 ( 2.539 1.466 1.864) 3.474 6.712 ( 4.632 2.674 -3.869) 6.601 7.512 ( -3.724 -2.150 -8.145) 9.210 7.848 ( -13.259 -7.655 2.128) 15.457 8.625 ( 6.599 3.810 -4.406) 8.802 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 5.280 3.048 -4.128) 7.362 2.331 ( 7.157 4.132 -0.876) 8.311 3.639 ( 11.442 6.606 -6.665) 14.798 3.913 ( 1.699 0.981 0.188) 1.970 4.962 ( -2.841 -1.640 -1.676) 3.683 5.213 ( -0.658 -0.380 10.484) 10.512 6.431 ( 0.894 0.516 4.573) 4.688 6.793 ( 6.518 3.763 0.781) 7.566 6.819 ( 5.282 3.050 -3.880) 7.229 7.363 ( -7.072 -4.083 -9.196) 12.298 7.594 ( -7.979 -4.606 4.426) 10.221 8.772 ( 6.012 3.471 -2.027) 7.232 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 2.923 1.688 -2.402) 4.143 2.447 ( 3.025 1.747 -0.360) 3.512 3.800 ( 4.637 2.677 -11.179) 12.395 3.939 ( 0.447 0.258 0.201) 0.554 4.848 ( -4.302 -2.484 -1.519) 5.195 5.263 ( 0.336 0.194 11.618) 11.624 6.442 ( -1.077 -0.622 3.230) 3.461 6.909 ( 3.153 1.820 -2.665) 4.511 6.982 ( 9.426 5.442 0.381) 10.891 7.127 ( -9.793 -5.654 -7.780) 13.726 7.527 ( -0.425 -0.246 6.348) 6.367 8.865 ( 2.492 1.439 -1.977) 3.491 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 1.486 0.858 -0.464) 1.778 2.466 ( -1.386 -0.800 0.370) 1.643 3.777 ( -2.605 -1.504 -12.171) 12.537 3.934 ( -0.924 -0.533 0.006) 1.067 4.801 ( 0.883 0.510 -2.014) 2.257 5.270 ( -3.517 -2.030 10.687) 11.433 6.403 ( -3.007 -1.736 1.473) 3.772 6.878 ( -9.274 -5.355 -5.169) 11.891 6.941 ( 0.122 0.070 -1.201) 1.210 7.229 ( 11.299 6.524 -1.062) 13.090 7.583 ( 2.839 1.639 7.111) 7.830 8.880 ( -0.353 -0.204 -1.402) 1.460 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -1.556 -0.898 1.367) 2.257 2.382 ( -6.204 -3.582 1.030) 7.238 3.634 ( -6.241 -3.603 -7.423) 10.346 3.898 ( -2.050 -1.184 -0.380) 2.398 4.858 ( 4.432 2.559 -4.309) 6.690 5.156 ( -9.087 -5.247 7.462) 12.875 6.315 ( -4.622 -2.668 -0.530) 5.363 6.674 ( -6.664 -3.848 -4.015) 8.680 6.912 ( -2.307 -1.332 0.343) 2.686 7.470 ( 9.269 5.351 -3.143) 11.154 7.695 ( 4.889 2.823 6.432) 8.559 8.864 ( -0.362 -0.209 1.445) 1.504 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -7.855 -4.535 2.387) 9.379 2.184 ( -11.264 -6.503 1.563) 13.100 3.443 ( -9.494 -5.481 -1.547) 11.071 3.841 ( -2.581 -1.490 -0.767) 3.078 4.842 ( -12.253 -7.074 0.050) 14.148 5.027 ( 4.437 2.562 -1.871) 5.454 6.191 ( -5.516 -3.185 -2.631) 6.891 6.561 ( -1.880 -1.085 -2.823) 3.561 6.848 ( -3.240 -1.871 1.827) 4.164 7.596 ( 2.579 1.489 -5.330) 6.106 7.854 ( 7.258 4.191 3.547) 9.101 8.897 ( 2.434 1.405 5.166) 5.881 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -15.788 -9.115 2.271) 18.371 1.904 ( -14.770 -8.527 2.828) 17.287 3.141 ( -17.752 -10.249 1.393) 20.545 3.779 ( -2.458 -1.419 -0.981) 3.003 4.484 ( -16.102 -9.296 0.133) 18.593 5.190 ( 8.687 5.016 -3.127) 10.507 6.049 ( -5.581 -3.222 -4.451) 7.832 6.570 ( 3.109 1.795 -1.885) 4.054 6.786 ( -2.612 -1.508 2.962) 4.227 7.567 ( -2.825 -1.631 -6.197) 7.004 8.040 ( 7.906 4.565 1.420) 9.239 9.002 ( 4.544 2.623 5.742) 7.778 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 0.000 17.109 16.026) 23.443 0.813 ( 0.000 15.230 15.456) 21.699 1.294 ( 0.000 26.465 21.482) 34.086 3.650 ( 0.000 0.537 -1.191) 1.306 3.727 ( 0.000 7.042 -1.120) 7.130 5.686 ( 0.000 0.406 -5.190) 5.205 5.692 ( -0.000 -4.707 0.056) 4.707 6.655 ( 0.000 18.714 -17.621) 25.705 6.787 ( -0.000 0.479 3.402) 3.436 6.808 ( 0.000 7.617 -8.689) 11.555 8.587 ( -0.000 -5.035 6.051) 7.872 9.236 ( 0.000 -1.424 -2.657) 3.015 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 4.288 16.603 12.353) 21.134 1.073 ( 5.559 17.007 11.649) 21.351 1.783 ( 15.309 26.228 8.035) 31.414 3.679 ( 2.126 1.588 -0.903) 2.803 3.848 ( 5.497 9.198 0.947) 10.757 5.625 ( -1.259 -5.331 -0.271) 5.485 5.783 ( 9.324 0.631 -3.794) 10.086 6.723 ( -2.133 -0.178 1.221) 2.464 6.804 ( 0.461 1.075 2.083) 2.389 6.942 ( 8.633 14.295 -20.735) 26.624 8.512 ( -3.654 -7.044 5.586) 9.705 9.140 ( -7.233 -2.781 -4.081) 8.758 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 7.584 14.151 8.588) 18.208 1.401 ( 9.053 17.148 4.276) 19.857 2.316 ( 16.940 20.956 -2.236) 27.039 3.735 ( 1.599 3.438 -0.801) 3.875 4.120 ( 12.958 10.089 4.918) 17.143 5.537 ( -2.158 -6.357 0.916) 6.776 5.961 ( 9.787 3.111 -2.503) 10.570 6.676 ( -2.346 -1.297 1.179) 2.928 6.776 ( -2.763 -1.235 1.317) 3.301 7.217 ( 12.801 10.856 -12.149) 20.720 8.371 ( -5.643 -7.731 5.173) 10.880 8.916 ( -11.953 -3.912 -7.145) 14.465 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 8.595 11.693 0.887) 14.539 1.744 ( 9.973 15.423 2.159) 18.493 2.773 ( 16.103 16.126 -5.154) 23.365 3.799 ( 1.391 4.701 -0.676) 4.949 4.486 ( 14.576 9.047 5.920) 18.148 5.432 ( -2.841 -6.983 2.644) 7.989 6.158 ( 8.633 5.042 -0.594) 10.016 6.633 ( -0.802 -1.953 0.406) 2.150 6.729 ( -2.990 2.054 1.337) 3.866 7.457 ( 8.494 4.066 -8.100) 12.422 8.214 ( -6.073 -7.440 6.203) 11.433 8.641 ( -10.530 -2.331 -10.026) 14.725 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 7.800 8.419 -3.162) 11.905 2.055 ( 8.362 13.583 0.694) 15.966 3.165 ( 14.587 12.172 -4.162) 19.449 3.872 ( 1.144 5.861 -0.548) 5.996 4.801 ( 10.519 5.682 3.662) 12.504 5.319 ( -3.284 -7.348 4.439) 9.191 6.344 ( 5.807 5.629 2.316) 8.413 6.628 ( 2.352 -0.663 -0.858) 2.590 6.732 ( -1.083 5.114 0.341) 5.239 7.503 ( -0.511 -1.920 -8.346) 8.579 8.003 ( -11.856 -8.054 3.396) 14.730 8.544 ( 3.021 2.231 -5.449) 6.618 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 5.675 5.306 -3.813) 8.655 2.302 ( 5.244 11.647 -0.077) 12.774 3.479 ( 11.453 7.197 -4.187) 14.160 3.951 ( 0.297 7.821 -0.867) 7.874 4.959 ( 2.026 0.533 -0.410) 2.135 5.224 ( -0.499 -5.820 7.734) 9.692 6.472 ( 1.013 5.451 4.620) 7.217 6.700 ( 5.866 1.538 -2.509) 6.563 6.796 ( 2.013 6.013 -0.766) 6.387 7.396 ( -4.567 -3.450 -8.826) 10.520 7.727 ( -11.245 -5.555 2.957) 12.886 8.667 ( 7.767 1.699 -1.681) 8.126 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 3.479 3.061 -2.940) 5.488 2.466 ( 1.395 9.576 -0.010) 9.677 3.658 ( 6.578 0.499 -6.329) 9.142 4.026 ( -1.748 9.996 -2.639) 10.485 4.887 ( -4.555 -3.803 -2.454) 6.421 5.261 ( 3.568 -2.350 11.194) 11.981 6.520 ( -3.025 5.055 3.818) 7.020 6.826 ( 6.649 2.198 -3.242) 7.717 6.913 ( 5.186 5.780 0.175) 7.768 7.214 ( -8.584 -4.177 -8.261) 12.625 7.576 ( -3.728 -1.046 5.569) 6.782 8.787 ( 5.744 -0.882 -1.661) 6.044 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 2.138 1.480 -1.683) 3.098 2.539 ( -2.851 7.341 0.556) 7.895 3.682 ( 1.930 -4.447 -8.508) 9.792 4.052 ( -5.040 8.983 -4.114) 11.091 4.794 ( -1.252 -1.577 -1.639) 2.596 5.317 ( 0.355 -2.684 11.633) 11.944 6.497 ( -5.589 3.298 2.054) 6.807 6.917 ( 2.343 1.398 -2.057) 3.417 6.984 ( -9.235 -3.716 -4.678) 10.999 7.110 ( 9.209 6.956 -1.181) 11.601 7.583 ( 1.189 1.120 6.373) 6.579 8.833 ( 2.881 -3.277 -2.030) 4.812 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 0.680 -0.559 -0.432) 0.981 2.514 ( -7.506 4.676 1.285) 8.936 3.602 ( -1.053 -6.193 -8.022) 10.188 4.013 ( -6.649 6.594 -2.699) 9.745 4.801 ( 2.739 1.154 -2.631) 3.969 5.273 ( -5.980 -4.429 9.435) 12.017 6.411 ( -6.958 0.820 0.426) 7.019 6.773 ( -9.243 -1.400 -3.817) 10.098 6.941 ( -1.165 1.045 -0.334) 1.600 7.348 ( 10.213 6.116 -2.425) 12.149 7.662 ( 3.655 1.497 6.217) 7.365 8.827 ( 2.109 -4.207 -0.652) 4.751 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -3.393 -3.508 0.345) 4.893 2.376 ( -12.489 0.903 1.935) 12.670 3.482 ( -3.533 -5.958 -4.414) 8.214 3.945 ( -6.896 4.814 -1.303) 8.510 4.875 ( 3.773 2.017 -3.989) 5.850 5.084 ( -11.217 -6.158 6.082) 14.168 6.286 ( -7.415 -0.260 -0.834) 7.466 6.618 ( -6.422 0.602 -2.905) 7.074 6.906 ( -3.681 0.615 0.942) 3.849 7.531 ( 5.806 3.510 -5.449) 8.702 7.780 ( 6.076 1.658 4.836) 7.941 8.843 ( 4.203 -3.148 2.322) 5.742 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -10.029 -5.575 0.720) 11.497 2.111 ( -17.127 -3.750 2.493) 17.709 3.303 ( -10.113 -6.662 -1.383) 12.189 3.867 ( -6.447 3.572 -0.725) 7.406 4.696 ( -17.266 -7.225 1.155) 18.752 5.070 ( 8.019 2.760 -1.219) 8.567 6.149 ( -7.955 0.612 -2.249) 8.290 6.557 ( -0.877 1.881 -2.060) 2.925 6.843 ( -4.105 -0.058 2.026) 4.579 7.571 ( -0.617 0.342 -6.438) 6.477 7.938 ( 8.271 2.262 2.364) 8.894 8.926 ( 6.564 -1.787 3.441) 7.624 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 0.000 17.390 8.843) 19.509 1.251 ( 0.000 18.185 11.209) 21.362 1.985 ( 0.000 31.456 5.810) 31.988 3.661 ( 0.000 1.461 -1.170) 1.872 3.918 ( 0.000 12.019 1.261) 12.085 5.572 ( -0.000 -7.313 0.831) 7.360 5.697 ( 0.000 4.033 -3.944) 5.641 6.736 ( -0.000 -2.640 0.318) 2.659 6.812 ( -0.000 0.010 2.605) 2.605 6.961 ( 0.000 16.304 -17.339) 23.800 8.479 ( -0.000 -9.352 5.051) 10.629 9.166 ( 0.000 -3.045 -4.894) 5.765 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 3.171 17.489 8.492) 19.699 1.481 ( 3.292 16.822 5.238) 17.923 2.354 ( 6.143 27.484 -1.978) 28.231 3.716 ( 3.814 2.599 -0.904) 4.703 4.094 ( 4.850 13.756 3.880) 15.093 5.491 ( -0.792 -8.044 1.442) 8.210 5.819 ( 8.572 5.198 -2.503) 10.333 6.687 ( -1.349 -4.091 0.696) 4.364 6.810 ( -1.165 0.181 1.437) 1.859 7.125 ( 6.591 12.981 -11.598) 18.614 8.369 ( -2.707 -10.234 4.290) 11.422 9.041 ( -8.105 -3.436 -6.517) 10.953 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 2.736 13.811 2.616) 14.320 1.776 ( 7.452 17.600 3.933) 19.513 2.717 ( 9.316 21.161 -5.519) 23.771 3.813 ( 3.153 4.727 -1.022) 5.773 4.382 ( 10.406 12.578 5.072) 17.094 5.395 ( -1.365 -8.693 2.626) 9.183 6.043 ( 10.403 6.615 -0.962) 12.366 6.626 ( -1.176 -3.663 1.061) 3.991 6.799 ( -1.608 2.452 0.596) 2.992 7.328 ( 8.193 6.236 -7.886) 12.969 8.228 ( -3.441 -9.585 4.613) 11.180 8.798 ( -12.470 -2.451 -8.355) 15.209 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 4.065 10.347 -1.322) 11.195 2.090 ( 6.929 17.232 2.588) 18.752 3.064 ( 11.200 15.487 -3.990) 19.524 3.913 ( 2.142 7.085 -1.008) 7.470 4.691 ( 10.411 8.425 2.879) 13.699 5.290 ( -1.811 -9.057 3.732) 9.962 6.285 ( 8.897 7.636 1.001) 11.767 6.592 ( 0.486 -1.833 0.297) 1.920 6.814 ( -1.283 5.409 0.007) 5.559 7.434 ( 3.281 -0.873 -7.761) 8.471 8.086 ( -5.390 -8.904 4.949) 11.524 8.572 ( -7.053 0.942 -7.119) 10.065 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 4.182 7.167 -2.456) 8.653 2.366 ( 4.499 16.224 1.452) 16.899 3.369 ( 9.868 9.654 -2.125) 13.968 4.027 ( 1.553 10.114 -1.220) 10.305 4.905 ( 6.079 3.608 0.243) 7.073 5.179 ( -1.377 -9.339 4.413) 10.420 6.495 ( 5.288 6.870 4.118) 9.598 6.619 ( 3.902 1.259 -2.745) 4.934 6.859 ( -0.954 7.197 -0.204) 7.263 7.389 ( -1.757 -3.286 -8.308) 9.106 7.871 ( -10.482 -6.728 2.440) 12.692 8.560 ( 4.302 1.183 -1.730) 4.786 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 3.070 4.641 -2.216) 5.990 2.574 ( 1.051 14.741 1.095) 14.819 3.560 ( 5.369 3.189 -2.553) 6.746 4.153 ( -0.251 12.948 -2.797) 13.249 4.917 ( -4.218 -2.944 -2.864) 5.887 5.163 ( 6.572 -5.661 7.967) 11.777 6.611 ( 0.907 3.987 2.753) 4.929 6.740 ( 6.005 5.566 -2.388) 8.529 6.919 ( 0.492 5.723 0.516) 5.767 7.277 ( -5.061 -1.547 -8.108) 9.682 7.669 ( -7.094 -2.692 3.605) 8.400 8.657 ( 6.425 -2.011 -0.525) 6.753 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 1.720 2.741 -1.648) 3.631 2.701 ( -3.043 12.877 1.457) 13.311 3.604 ( 0.814 -1.961 -4.613) 5.078 4.227 ( -4.657 12.086 -5.392) 14.030 4.800 ( -2.829 -2.975 -1.817) 4.490 5.266 ( 5.992 -4.282 9.672) 12.157 6.627 ( -3.749 2.669 -0.029) 4.602 6.884 ( 4.089 5.451 -0.479) 6.831 7.002 ( 3.612 0.404 1.139) 3.808 7.144 ( -6.889 4.983 -6.306) 10.586 7.608 ( -0.978 0.346 4.648) 4.763 8.715 ( 4.653 -5.227 -1.316) 7.121 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 0.553 0.944 -1.107) 1.556 2.730 ( -7.771 10.091 2.096) 12.908 3.542 ( -1.306 -4.519 -5.829) 7.490 4.202 ( -7.519 8.741 -4.866) 12.515 4.769 ( 1.081 0.128 -1.463) 1.824 5.314 ( 0.250 -4.476 8.764) 9.844 6.543 ( -6.888 0.114 -0.459) 6.904 6.917 ( -7.127 -0.775 -3.103) 7.811 6.983 ( -0.922 5.818 1.236) 6.019 7.239 ( 7.612 7.250 -2.628) 10.836 7.644 ( 1.990 0.982 4.847) 5.331 8.715 ( 3.557 -7.052 -1.340) 8.011 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -1.542 -1.148 -0.757) 2.066 2.637 ( -12.942 5.329 2.285) 14.182 3.456 ( -1.516 -3.961 -4.132) 5.921 4.128 ( -8.022 6.364 -2.690) 10.587 4.815 ( 3.591 1.908 -2.253) 4.649 5.225 ( -7.872 -5.460 6.046) 11.329 6.411 ( -7.351 -0.705 0.223) 7.388 6.765 ( -8.989 1.681 -2.868) 9.584 7.000 ( -4.008 4.562 1.138) 6.178 7.431 ( 7.929 4.773 -5.135) 10.584 7.718 ( 3.898 0.260 4.691) 6.104 8.714 ( 5.140 -6.520 0.208) 8.305 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -5.798 -2.918 -0.677) 6.526 2.405 ( -17.503 0.112 2.112) 17.631 3.368 ( -4.464 -2.924 -2.066) 5.723 4.036 ( -8.066 4.543 -1.247) 9.341 4.881 ( -3.260 0.391 -2.212) 3.959 5.015 ( -5.611 -3.362 4.084) 7.711 6.288 ( -7.026 0.653 0.770) 7.098 6.637 ( -6.468 2.365 -2.778) 7.426 6.946 ( -6.092 2.015 1.170) 6.523 7.544 ( 2.933 2.518 -6.878) 7.890 7.826 ( 6.932 0.103 3.718) 7.866 8.772 ( 7.615 -4.946 0.809) 9.116 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 0.000 16.710 3.628) 17.100 1.651 ( 0.000 15.715 5.126) 16.530 2.578 ( 0.000 26.641 -4.712) 27.054 3.694 ( 0.000 2.514 -0.736) 2.620 4.229 ( 0.000 16.834 5.070) 17.581 5.420 ( -0.000 -8.855 2.592) 9.227 5.800 ( 0.000 7.898 -1.050) 7.967 6.654 ( -0.000 -4.914 1.290) 5.080 6.824 ( -0.000 -0.007 0.878) 0.878 7.161 ( 0.000 11.670 -9.402) 14.987 8.296 ( -0.000 -11.175 3.086) 11.593 9.055 ( 0.000 -3.744 -7.239) 8.150 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 0.574 12.627 0.444) 12.648 1.849 ( 5.216 16.483 3.001) 17.547 2.820 ( 2.419 21.630 -6.545) 22.728 3.769 ( 4.960 3.285 -0.769) 5.999 4.444 ( 2.485 17.436 5.543) 18.464 5.334 ( -0.728 -9.090 3.777) 9.870 5.957 ( 7.527 9.101 0.513) 11.821 6.608 ( -0.610 -3.954 2.029) 4.486 6.828 ( 0.231 0.986 -0.251) 1.043 7.265 ( 3.650 6.718 -7.028) 10.385 8.180 ( -1.489 -10.439 2.616) 10.864 8.924 ( -7.560 -3.025 -8.072) 11.465 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 1.293 9.511 -1.821) 9.769 2.144 ( 7.951 16.504 2.138) 18.444 3.063 ( 5.964 16.206 -4.295) 17.795 3.902 ( 5.758 4.833 -1.054) 7.591 4.676 ( 4.179 13.298 2.721) 14.202 5.242 ( -1.446 -8.265 4.639) 9.588 6.211 ( 9.647 9.574 1.845) 13.716 6.574 ( -0.299 -2.058 1.591) 2.618 6.860 ( 1.213 3.497 -1.096) 3.860 7.344 ( 3.343 0.148 -6.337) 7.167 8.065 ( -1.772 -9.076 3.231) 9.796 8.714 ( -10.201 -0.548 -7.406) 12.618 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 2.533 7.181 -2.079) 7.894 2.446 ( 6.679 16.307 1.552) 17.690 3.312 ( 7.785 10.487 -1.057) 13.104 4.059 ( 5.559 7.863 -0.817) 9.664 4.852 ( 4.519 5.857 -0.165) 7.399 5.144 ( -3.193 -6.650 3.560) 8.191 6.468 ( 7.774 8.401 4.052) 12.142 6.575 ( 1.548 0.669 -1.163) 2.049 6.929 ( 1.226 6.137 -1.321) 6.396 7.336 ( 0.799 -3.398 -6.820) 7.661 7.939 ( -4.687 -7.978 2.433) 9.567 8.565 ( -4.344 1.503 -3.350) 5.688 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 2.542 5.204 -1.502) 5.983 2.700 ( 3.458 15.695 1.303) 16.124 3.505 ( 5.300 4.465 0.086) 6.930 4.246 ( 4.382 11.919 -0.954) 12.735 4.958 ( 1.751 2.265 -1.887) 3.429 5.017 ( -1.485 -8.826 3.003) 9.441 6.597 ( 2.641 1.219 0.676) 2.986 6.705 ( 6.317 7.894 1.024) 10.162 6.990 ( -1.120 5.007 -0.799) 5.192 7.293 ( -0.140 0.143 -6.684) 6.687 7.771 ( -6.965 -4.694 1.675) 8.564 8.556 ( 2.270 -1.086 0.055) 2.517 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 1.522 3.467 -1.004) 3.917 2.883 ( -0.576 14.591 1.740) 14.706 3.573 ( 0.595 -0.724 -1.210) 1.530 4.404 ( -1.503 13.842 -3.528) 14.364 4.832 ( -6.032 -3.155 -2.420) 7.225 5.095 ( 9.977 -6.027 5.693) 12.972 6.652 ( 1.711 1.383 -2.142) 3.070 6.878 ( 4.768 5.737 2.809) 7.971 6.980 ( -1.453 -0.144 -0.770) 1.651 7.294 ( -3.239 8.543 -5.000) 10.415 7.654 ( -3.316 -1.275 2.589) 4.396 8.581 ( 3.606 -5.250 0.112) 6.370 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 0.250 1.882 -0.766) 2.048 2.976 ( -5.695 12.538 2.648) 14.023 3.518 ( -2.361 -3.984 -3.083) 5.564 4.418 ( -8.498 10.340 -5.114) 14.328 4.754 ( -0.134 -0.646 -0.836) 1.065 5.219 ( 7.757 -5.656 6.072) 11.359 6.635 ( -3.981 -0.033 -1.422) 4.228 6.956 ( -0.870 -0.215 -3.146) 3.271 7.008 ( 4.637 2.088 3.463) 6.153 7.314 ( -4.521 12.691 -2.897) 13.780 7.643 ( 0.669 0.462 2.917) 3.028 8.571 ( 3.330 -7.999 -0.522) 8.680 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( -1.148 0.383 -0.762) 1.430 2.931 ( -12.318 7.007 2.536) 14.396 3.436 ( -1.212 -2.584 -2.302) 3.667 4.330 ( -9.117 6.588 -2.780) 11.586 4.778 ( 2.136 1.558 -1.135) 2.877 5.256 ( 0.373 -5.486 3.650) 6.600 6.529 ( -6.886 -0.468 0.781) 6.946 6.891 ( -5.164 0.168 -3.361) 6.164 7.099 ( 1.013 2.748 1.651) 3.362 7.382 ( 0.726 9.452 -3.991) 10.286 7.680 ( 2.047 -0.375 3.149) 3.774 8.556 ( 4.602 -7.421 -0.048) 8.732 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -3.469 -0.767 -1.088) 3.716 2.716 ( -16.768 0.562 1.471) 16.842 3.405 ( -1.843 0.537 -0.017) 1.920 4.221 ( -8.938 3.900 -1.073) 9.811 4.849 ( 4.171 2.613 -0.872) 4.998 5.142 ( -7.972 -5.170 1.502) 9.619 6.415 ( -6.690 0.586 2.607) 7.204 6.774 ( -7.392 1.285 -3.148) 8.137 7.082 ( -5.664 1.292 0.103) 5.810 7.485 ( 4.178 4.809 -6.445) 9.062 7.733 ( 4.403 -1.705 3.805) 6.064 8.595 ( 6.637 -4.615 0.025) 8.084 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 0.000 10.468 -1.908) 10.641 1.938 ( 0.000 14.300 0.012) 14.300 2.979 ( 0.000 17.771 -7.071) 19.126 3.752 ( 0.000 3.527 -0.007) 3.527 4.633 ( 0.000 18.176 5.689) 19.045 5.269 ( -0.000 -7.901 5.313) 9.521 5.993 ( 0.000 10.782 2.118) 10.988 6.587 ( -0.000 -2.779 3.103) 4.166 6.824 ( 0.000 0.056 -1.291) 1.292 7.273 ( 0.000 4.361 -6.047) 7.455 8.097 ( -0.000 -9.593 1.249) 9.674 8.931 ( 0.000 -3.083 -8.210) 8.770 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -0.599 7.653 -3.683) 8.515 2.155 ( 7.807 13.190 -0.730) 15.345 3.131 ( 2.183 13.349 -4.443) 14.237 3.837 ( 5.080 3.760 -0.207) 6.324 4.799 ( -0.603 11.582 3.034) 11.988 5.223 ( -1.220 -2.444 6.296) 6.863 6.176 ( 6.640 11.110 3.244) 13.343 6.574 ( -0.554 -0.903 3.053) 3.232 6.840 ( 2.431 0.921 -2.109) 3.347 7.288 ( 1.007 -0.038 -5.383) 5.476 8.005 ( -0.717 -8.014 0.914) 8.098 8.823 ( -5.942 -1.684 -7.325) 9.581 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 1.477 5.765 -3.012) 6.670 2.447 ( 10.375 12.946 -0.529) 16.599 3.296 ( 5.010 8.734 -0.542) 10.083 3.990 ( 7.998 4.373 -0.373) 9.123 4.858 ( 0.142 0.747 1.113) 1.348 5.211 ( -4.592 4.846 3.646) 7.607 6.432 ( 8.270 9.904 4.217) 13.575 6.572 ( -0.320 1.095 0.935) 1.475 6.917 ( 4.725 3.260 -2.168) 6.137 7.264 ( 0.611 -3.636 -5.090) 6.285 7.915 ( -1.565 -7.029 0.690) 7.234 8.675 ( -7.185 0.537 -4.375) 8.429 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 2.476 4.534 -1.557) 5.395 2.745 ( 8.724 12.887 -0.386) 15.567 3.458 ( 5.383 3.722 1.899) 6.814 4.203 ( 10.441 6.237 0.529) 12.173 4.857 ( 2.352 -5.001 1.677) 5.775 5.149 ( -9.556 5.779 -1.725) 11.300 6.582 ( 0.865 1.707 1.131) 2.222 6.679 ( 6.667 8.232 2.415) 10.865 7.024 ( 2.153 3.805 -2.153) 4.873 7.235 ( 3.255 -1.926 -4.426) 5.821 7.810 ( -3.360 -5.561 0.058) 6.498 8.574 ( -4.210 0.527 -0.698) 4.300 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 1.963 3.252 -0.642) 3.853 2.991 ( 4.894 12.556 0.107) 13.476 3.545 ( 1.980 -1.075 1.497) 2.705 4.463 ( 9.206 9.193 0.805) 13.035 4.861 ( 4.136 -7.669 2.668) 9.113 4.998 ( -10.163 3.491 -4.309) 11.577 6.627 ( 1.982 2.519 -1.630) 3.595 6.852 ( 4.591 3.659 4.535) 7.418 7.014 ( -2.437 -0.119 -2.952) 3.830 7.344 ( 5.671 7.115 -2.897) 9.548 7.703 ( -3.679 -2.759 0.267) 4.607 8.518 ( -1.471 -2.826 0.768) 3.277 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 0.686 1.907 -0.326) 2.052 3.161 ( 0.077 11.748 1.345) 11.825 3.510 ( -2.248 -5.072 -0.450) 5.566 4.644 ( -2.505 11.746 -2.193) 12.208 4.774 ( -6.100 -1.116 -1.256) 6.327 4.994 ( 10.769 -6.941 2.680) 13.089 6.673 ( 0.156 2.545 -1.677) 3.052 6.914 ( 1.669 -3.465 1.604) 4.167 6.998 ( 0.470 3.018 -0.569) 3.107 7.488 ( -0.035 11.029 -1.964) 11.202 7.646 ( -0.634 -0.800 1.102) 1.501 8.462 ( 0.162 -6.331 0.462) 6.350 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( -0.679 0.745 -0.359) 1.070 3.195 ( -9.312 5.692 1.752) 11.053 3.420 ( -0.165 -2.809 -0.574) 2.872 4.566 ( -11.533 6.517 -1.281) 13.309 4.761 ( 1.334 1.598 -0.493) 2.139 5.123 ( 8.860 -6.138 0.763) 10.805 6.646 ( -5.376 1.614 1.401) 5.785 6.917 ( 1.013 -0.595 -4.548) 4.697 7.045 ( 3.289 -0.587 2.010) 3.899 7.532 ( -4.697 8.819 -2.049) 10.200 7.658 ( 0.833 -0.794 1.443) 1.846 8.424 ( 2.876 -5.308 0.606) 6.067 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( -2.150 0.063 -0.742) 2.275 2.984 ( -14.503 -2.936 0.153) 14.798 3.444 ( 0.085 3.398 2.262) 4.083 4.424 ( -10.631 3.280 0.628) 11.144 4.811 ( 2.763 1.919 0.221) 3.372 5.150 ( 0.978 -5.175 -2.353) 5.769 6.557 ( -7.162 1.900 3.447) 8.172 6.877 ( -4.117 0.921 -3.942) 5.774 7.098 ( 2.673 -2.615 -0.874) 3.840 7.509 ( -3.445 3.972 -3.939) 6.570 7.658 ( 2.176 -3.806 2.122) 4.871 8.471 ( 4.887 0.023 0.968) 4.982 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 0.000 4.900 -5.845) 7.628 2.184 ( 0.000 10.829 -1.594) 10.945 3.213 ( 0.000 9.387 -2.835) 9.806 3.830 ( 0.000 3.870 0.511) 3.904 4.876 ( -0.000 -0.192 2.665) 2.672 5.297 ( 0.000 9.526 6.150) 11.338 6.243 ( 0.000 11.565 4.345) 12.354 6.594 ( -0.000 1.074 4.078) 4.217 6.806 ( 0.000 -0.358 -3.292) 3.311 7.257 ( 0.000 -1.785 -4.839) 5.157 7.940 ( -0.000 -6.376 -0.525) 6.397 8.832 ( 0.000 -1.696 -6.418) 6.639 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 0.473 3.732 -4.280) 5.698 2.368 ( 9.451 9.171 -1.949) 13.313 3.304 ( 2.433 5.593 0.319) 6.107 3.912 ( 4.811 3.483 0.333) 5.949 4.846 ( -0.495 -4.881 2.521) 5.515 5.397 ( -4.112 12.337 2.737) 13.289 6.424 ( 5.588 10.460 4.714) 12.761 6.612 ( -1.377 2.514 2.735) 3.962 6.836 ( 5.005 0.384 -2.850) 5.772 7.211 ( -0.344 -3.727 -4.313) 5.710 7.873 ( -0.806 -5.110 -1.313) 5.337 8.762 ( -4.111 -0.503 -4.059) 5.799 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 2.428 3.293 -1.831) 4.483 2.652 ( 13.073 8.479 -1.973) 15.706 3.409 ( 4.317 1.875 3.133) 5.655 4.068 ( 9.305 3.064 0.736) 9.824 4.799 ( 0.026 -4.745 2.061) 5.174 5.394 ( -9.296 9.472 -1.508) 13.357 6.605 ( 0.316 2.428 3.171) 4.006 6.662 ( 5.203 8.459 1.633) 10.065 6.963 ( 7.923 2.737 -1.539) 8.523 7.149 ( 0.308 -4.635 -3.418) 5.767 7.799 ( -1.789 -3.996 -1.788) 4.729 8.668 ( -5.469 0.438 -1.080) 5.592 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 2.632 2.528 -0.422) 3.674 2.949 ( 11.655 8.184 -2.095) 14.395 3.491 ( 3.228 -1.935 3.568) 5.186 4.304 ( 13.874 2.686 2.203) 14.302 4.768 ( 0.704 -3.843 1.371) 4.141 5.262 ( -13.450 6.236 -3.975) 15.349 6.628 ( 0.500 2.380 -0.490) 2.480 6.829 ( 3.949 3.730 4.368) 6.971 7.036 ( -1.318 0.426 -3.171) 3.460 7.225 ( 11.766 1.938 -0.702) 11.945 7.725 ( -2.321 -2.204 -1.679) 3.614 8.573 ( -5.594 -0.609 0.563) 5.656 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 1.609 1.372 0.008) 2.115 3.191 ( 7.884 7.469 -1.527) 10.967 3.486 ( -0.887 -5.435 1.818) 5.799 4.596 ( 15.235 2.034 2.260) 15.536 4.755 ( 1.565 -3.362 0.624) 3.761 5.054 ( -14.528 4.540 -2.933) 15.501 6.674 ( 2.213 2.807 -1.648) 3.936 6.876 ( -0.129 -3.070 4.053) 5.086 7.023 ( -0.500 2.637 -1.980) 3.335 7.466 ( 10.619 4.591 0.177) 11.570 7.670 ( -2.118 -0.139 -1.076) 2.380 8.462 ( -5.139 -2.800 0.385) 5.865 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 0.284 0.313 0.000) 0.422 3.362 ( -2.573 5.425 0.090) 6.005 3.363 ( 1.109 -7.042 -0.090) 7.130 4.749 ( 0.133 0.061 0.006) 0.146 4.848 ( -6.172 -2.955 0.011) 6.843 4.865 ( 7.249 4.199 -0.016) 8.377 6.739 ( 0.384 4.207 -0.000) 4.225 6.841 ( 0.816 -3.869 0.005) 3.954 7.030 ( -0.371 0.410 -0.019) 0.553 7.631 ( 3.255 -0.200 0.759) 3.348 7.639 ( -1.797 2.121 -0.747) 2.878 8.373 ( -1.182 -1.397 0.001) 1.830 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( -0.931 -0.182 -0.237) 0.978 3.139 ( -9.774 -8.771 -0.469) 13.141 3.477 ( 2.153 5.211 1.646) 5.874 4.650 ( -11.425 0.928 1.933) 11.625 4.783 ( 2.075 -0.885 0.773) 2.385 5.020 ( 6.811 -1.186 -3.533) 7.764 6.719 ( -6.796 3.197 4.160) 8.586 6.868 ( 4.356 -0.836 -5.448) 7.025 7.026 ( 0.762 -1.603 0.595) 1.872 7.581 ( -4.678 -5.489 -1.164) 7.305 7.613 ( -0.767 -1.752 0.275) 1.932 8.426 ( 4.119 5.094 0.785) 6.598 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 0.000 2.227 -3.888) 4.481 2.351 ( 0.000 7.026 -1.399) 7.164 3.327 ( 0.000 2.654 2.179) 3.434 3.904 ( 0.000 2.926 0.430) 2.958 4.805 ( -0.000 -5.353 2.760) 6.023 5.566 ( 0.000 11.439 0.256) 11.442 6.492 ( 0.000 9.509 4.658) 10.589 6.679 ( -0.000 4.021 4.654) 6.151 6.764 ( 0.000 -1.222 -4.089) 4.267 7.164 ( -0.000 -3.774 -3.938) 5.455 7.831 ( -0.000 -3.432 -2.575) 4.291 8.780 ( 0.000 -0.509 -2.407) 2.461 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 1.714 2.380 -1.249) 3.187 2.500 ( 9.986 5.239 -1.412) 11.365 3.374 ( 2.260 0.411 4.389) 4.953 3.971 ( 4.806 2.007 0.468) 5.229 4.765 ( -0.138 -3.830 2.287) 4.463 5.609 ( -5.589 7.484 -2.936) 9.791 6.618 ( 2.581 3.677 2.545) 5.163 6.698 ( -0.217 5.365 1.556) 5.590 6.834 ( 7.256 0.660 0.948) 7.348 7.109 ( -0.950 -2.929 -3.495) 4.658 7.785 ( -1.025 -2.035 -3.145) 3.884 8.745 ( -3.122 0.119 -0.207) 3.131 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 2.641 2.073 0.333) 3.374 2.762 ( 14.631 3.863 -2.118) 15.280 3.432 ( 2.780 -1.775 5.093) 6.068 4.117 ( 9.910 0.996 1.683) 10.101 4.741 ( 0.010 -2.015 1.528) 2.529 5.510 ( -10.217 3.721 -4.868) 11.913 6.634 ( 0.275 -0.797 -0.438) 0.950 6.822 ( 3.279 4.762 3.631) 6.828 7.009 ( 12.333 -0.313 1.463) 12.423 7.061 ( -1.541 1.086 -2.580) 3.196 7.737 ( -1.702 -0.590 -3.021) 3.517 8.673 ( -5.500 0.051 1.004) 5.591 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 2.170 0.896 0.607) 2.425 3.034 ( 13.719 1.540 -2.772) 14.081 3.451 ( 0.589 -3.577 3.193) 4.831 4.337 ( 13.873 -0.985 2.742) 14.175 4.736 ( 0.225 -0.183 0.822) 0.872 5.322 ( -12.371 2.107 -3.707) 13.085 6.638 ( 2.093 -1.624 -1.484) 3.036 6.876 ( 0.043 -1.168 4.241) 4.399 7.058 ( -0.632 3.215 -1.445) 3.581 7.268 ( 14.396 1.946 1.531) 14.607 7.699 ( -1.699 0.682 -2.254) 2.903 8.560 ( -7.297 -0.863 0.530) 7.367 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 1.202 -0.343 0.423) 1.320 3.211 ( 8.160 -6.409 -1.181) 10.443 3.419 ( -0.904 0.311 -0.327) 1.010 4.557 ( 13.110 -5.442 0.551) 14.205 4.756 ( 1.024 1.981 0.477) 2.280 5.125 ( -11.733 2.882 0.201) 12.083 6.667 ( 4.672 -2.791 -2.728) 6.088 6.869 ( -1.230 -0.093 4.794) 4.950 7.059 ( -2.111 1.914 -0.786) 2.956 7.512 ( 10.422 -0.271 1.982) 10.612 7.671 ( -1.816 0.301 -1.155) 2.173 8.431 ( -5.714 0.289 -0.798) 5.777 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 0.000 2.679 0.697) 2.768 2.447 ( 0.000 3.108 -0.380) 3.131 3.373 ( -0.000 -0.179 6.078) 6.080 3.945 ( 0.000 0.874 -0.009) 0.874 4.742 ( -0.000 -2.416 2.139) 3.227 5.697 ( 0.000 2.920 -5.510) 6.236 6.609 ( 0.000 -1.072 -2.985) 3.172 6.761 ( 0.000 3.820 2.832) 4.755 6.776 ( -0.000 0.485 5.416) 5.438 7.096 ( 0.000 0.999 -2.890) 3.058 7.771 ( 0.000 -0.404 -3.793) 3.814 8.777 ( -0.000 0.493 1.279) 1.371 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 1.226 2.617 1.938) 3.479 2.558 ( 9.947 1.164 -0.530) 10.029 3.404 ( 1.131 -0.812 6.879) 7.019 3.994 ( 5.321 -0.131 0.554) 5.352 4.733 ( 0.016 -0.813 1.715) 1.898 5.635 ( -5.003 -1.457 -7.215) 8.900 6.585 ( 1.707 -4.302 -3.236) 5.647 6.822 ( 4.418 -4.874 4.039) 7.719 6.837 ( 3.681 4.662 2.920) 6.619 7.115 ( -0.914 5.906 -0.523) 5.999 7.751 ( -1.028 0.941 -3.807) 4.054 8.761 ( -3.365 0.799 2.039) 4.015 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 1.401 0.967 1.710) 2.413 2.772 ( 14.164 -1.738 -1.805) 14.384 3.425 ( 0.396 -1.964 4.884) 5.279 4.129 ( 10.044 -1.157 2.323) 10.374 4.739 ( 0.185 0.853 1.271) 1.542 5.472 ( -7.421 -3.743 -6.211) 10.376 6.561 ( 2.138 -5.160 -2.190) 5.999 6.844 ( 2.841 -5.294 3.745) 7.080 6.998 ( 9.348 1.430 -0.270) 9.461 7.182 ( 0.569 7.812 2.972) 8.378 7.730 ( -1.589 1.871 -3.299) 4.113 8.685 ( -6.773 0.397 1.392) 6.926 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 1.232 -0.898 1.091) 1.875 2.955 ( 11.859 -7.771 -2.100) 14.333 3.419 ( 0.105 -1.021 1.103) 1.506 4.305 ( 11.179 -3.668 2.058) 11.944 4.767 ( 0.621 2.578 0.973) 2.825 5.287 ( -7.265 -3.628 -2.444) 8.480 6.546 ( 3.375 -5.430 -2.504) 6.867 6.853 ( 2.442 -4.099 3.937) 6.186 7.110 ( 1.271 1.544 -0.362) 2.032 7.341 ( 8.753 4.043 4.084) 10.471 7.709 ( -2.085 1.735 -2.509) 3.695 8.556 ( -8.091 0.636 -0.105) 8.117 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 0.000 3.304 3.126) 4.549 2.467 ( -0.000 -1.275 0.343) 1.320 3.419 ( -0.000 -0.179 8.518) 8.520 3.938 ( -0.000 -1.374 -0.245) 1.396 4.737 ( -0.000 0.543 1.735) 1.818 5.608 ( 0.000 -6.568 -9.074) 11.201 6.496 ( -0.000 -6.102 -4.332) 7.483 6.732 ( -0.000 -6.620 3.152) 7.332 6.863 ( -0.000 2.499 3.734) 4.493 7.197 ( 0.000 8.203 1.556) 8.349 7.763 ( 0.000 2.206 -4.051) 4.613 8.813 ( -0.000 1.680 2.493) 3.006 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -0.687 1.169 2.603) 2.935 2.532 ( 9.313 -3.741 -0.354) 10.042 3.436 ( -0.884 -1.114 7.237) 7.375 3.977 ( 6.301 -1.990 1.006) 6.684 4.756 ( 0.091 2.143 1.700) 2.737 5.464 ( -2.821 -9.813 -8.648) 13.381 6.446 ( 2.871 -6.893 -3.011) 8.051 6.707 ( 4.146 -7.379 2.389) 8.794 6.915 ( 3.078 1.053 2.104) 3.875 7.285 ( -0.631 8.537 3.825) 9.376 7.767 ( -1.087 3.115 -3.897) 5.106 8.802 ( -4.365 1.912 1.744) 5.074 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -0.041 -1.750 1.657) 2.411 2.658 ( 11.445 -8.606 -1.825) 14.436 3.417 ( -1.009 -2.060 3.417) 4.116 4.103 ( 9.439 -3.070 2.293) 10.188 4.795 ( 0.281 3.789 1.673) 4.151 5.285 ( -2.591 -10.647 -5.630) 12.320 6.423 ( 3.173 -6.533 -2.201) 7.589 6.735 ( 5.674 -6.849 3.020) 9.393 7.007 ( 6.674 -1.105 -0.186) 6.767 7.375 ( -0.116 7.862 5.825) 9.785 7.761 ( -2.060 3.416 -3.642) 5.401 8.713 ( -8.090 1.918 0.435) 8.325 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -0.000 -0.191 2.066) 2.074 2.392 ( -0.000 -6.569 0.083) 6.570 3.463 ( -0.000 -1.848 8.228) 8.433 3.893 ( -0.000 -2.833 0.055) 2.833 4.791 ( 0.000 3.650 2.214) 4.269 5.334 ( -0.000 -13.921 -9.181) 16.676 6.332 ( -0.000 -7.737 -2.137) 8.026 6.610 ( -0.000 -6.256 1.906) 6.540 6.897 ( -0.000 -0.813 1.725) 1.907 7.387 ( 0.000 7.545 5.053) 9.081 7.801 ( 0.000 4.275 -3.923) 5.802 8.871 ( 0.000 2.927 0.837) 3.045 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( -1.657 -4.224 1.157) 4.682 2.392 ( 7.593 -9.996 -1.243) 12.615 3.433 ( -2.283 -4.133 5.129) 6.972 3.932 ( 6.996 -3.223 1.263) 7.805 4.841 ( 0.151 4.066 2.700) 4.884 5.153 ( -0.374 -14.510 -7.205) 16.205 6.286 ( 3.702 -7.434 -0.847) 8.348 6.592 ( 3.569 -4.925 2.094) 6.433 6.910 ( 2.788 -2.106 0.100) 3.495 7.471 ( -0.156 5.727 6.377) 8.572 7.823 ( -1.532 5.274 -3.744) 6.647 8.858 ( -5.110 3.323 -0.593) 6.124 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -0.000 -8.442 -0.585) 8.463 2.198 ( -0.000 -12.596 -1.063) 12.641 3.414 ( -0.000 -8.330 3.994) 9.238 3.834 ( -0.000 -3.173 0.651) 3.240 4.839 ( -0.000 -9.594 0.567) 9.610 5.033 ( 0.000 -1.507 -2.926) 3.291 6.171 ( -0.000 -7.658 1.200) 7.752 6.537 ( -0.000 -1.749 1.733) 2.462 6.861 ( -0.000 -2.855 -0.768) 2.957 7.534 ( -0.000 2.486 6.683) 7.131 7.889 ( 0.000 7.092 -3.092) 7.737 8.937 ( 0.000 4.127 -2.557) 4.855 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -0.000 -0.000 19.958) 19.958 0.685 ( -0.000 -0.000 19.958) 19.958 1.123 ( -0.000 -0.000 33.573) 33.573 3.644 ( 0.000 0.000 -1.225) 1.225 3.644 ( 0.000 0.000 -1.225) 1.225 5.694 ( 0.000 0.000 -4.848) 4.848 5.694 ( 0.000 0.000 -4.848) 4.848 6.210 ( 0.000 0.000 -12.435) 12.435 6.781 ( -0.000 -0.000 3.386) 3.386 6.781 ( -0.000 -0.000 3.386) 3.386 8.661 ( -0.000 -0.000 7.038) 7.038 9.246 ( 0.000 0.000 -2.275) 2.275 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 8.833 5.100 15.456) 18.518 0.922 ( 9.086 5.246 19.734) 22.350 1.447 ( 18.012 10.399 18.532) 27.856 3.656 ( 1.087 0.627 -1.223) 1.752 3.712 ( 6.653 3.841 -0.134) 7.684 5.668 ( -0.586 -0.338 -3.633) 3.696 5.765 ( 4.989 2.881 -4.419) 7.261 6.488 ( 21.335 12.318 -21.406) 32.636 6.752 ( -2.174 -1.255 3.287) 4.137 6.833 ( 1.382 0.798 0.295) 1.623 8.633 ( -4.419 -2.551 6.998) 8.661 9.186 ( -4.972 -2.871 -3.124) 6.537 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 13.737 7.931 8.956) 18.216 1.195 ( 9.501 5.486 14.852) 18.464 1.966 ( 22.422 12.945 1.707) 25.947 3.686 ( 1.876 1.083 -1.126) 2.441 3.955 ( 13.487 7.787 3.966) 16.071 5.614 ( -2.940 -1.697 -1.920) 3.900 5.891 ( 7.039 4.064 -3.894) 9.012 6.707 ( -2.525 -1.458 3.044) 4.215 6.812 ( -1.872 -1.081 1.431) 2.592 6.921 ( 19.921 11.502 -17.968) 29.189 8.515 ( -7.417 -4.282 6.482) 10.740 8.994 ( -10.169 -5.871 -5.490) 12.962 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 10.697 6.176 5.666) 13.589 1.501 ( 14.718 8.497 4.249) 17.518 2.466 ( 21.173 12.224 -4.415) 24.843 3.734 ( 2.580 1.490 -0.895) 3.111 4.326 ( 15.964 9.217 6.499) 19.545 5.530 ( -3.994 -2.306 0.044) 4.612 6.058 ( 8.318 4.802 -2.968) 10.053 6.663 ( -1.870 -1.079 2.424) 3.246 6.741 ( -3.447 -1.990 0.846) 4.069 7.292 ( 14.855 8.576 -10.565) 20.146 8.358 ( -7.624 -4.402 6.957) 11.221 8.701 ( -12.094 -6.983 -8.811) 16.513 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 10.520 6.074 -0.832) 12.176 1.838 ( 13.373 7.721 1.355) 15.501 2.913 ( 18.788 10.847 -4.446) 22.146 3.796 ( 2.942 1.698 -0.579) 3.446 4.688 ( 12.816 7.399 5.363) 15.740 5.433 ( -4.735 -2.734 2.200) 5.894 6.245 ( 8.092 4.672 -1.005) 9.397 6.645 ( -0.015 -0.009 0.852) 0.852 6.684 ( -1.437 -0.829 1.338) 2.131 7.477 ( 3.369 1.945 -8.930) 9.741 8.173 ( -12.271 -7.085 4.660) 14.916 8.492 ( -0.250 -0.144 -6.329) 6.336 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 8.446 4.877 -3.408) 10.332 2.119 ( 10.631 6.138 -0.030) 12.276 3.294 ( 15.150 8.747 -4.483) 18.059 3.861 ( 2.691 1.554 -0.256) 3.118 4.924 ( 5.850 3.377 2.201) 7.104 5.333 ( -4.246 -2.451 4.880) 6.917 6.404 ( 4.904 2.832 2.613) 6.237 6.679 ( 3.397 1.961 -2.364) 4.579 6.696 ( 2.291 1.323 0.828) 2.772 7.426 ( -3.816 -2.203 -8.711) 9.762 7.868 ( -13.046 -7.532 1.770) 15.168 8.597 ( 7.492 4.325 -1.094) 8.720 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 5.644 3.259 -3.542) 7.418 2.324 ( 7.144 4.125 -0.367) 8.257 3.565 ( 9.673 5.585 -7.696) 13.564 3.914 ( 1.797 1.037 0.032) 2.075 4.940 ( -3.757 -2.169 -2.593) 5.054 5.321 ( 0.999 0.577 10.583) 10.645 6.478 ( 0.694 0.401 4.696) 4.764 6.778 ( 5.538 3.197 -4.170) 7.634 6.796 ( 6.223 3.593 -0.244) 7.190 7.272 ( -6.987 -4.034 -8.535) 11.745 7.644 ( -6.566 -3.791 5.216) 9.202 8.755 ( 5.802 3.350 -1.308) 6.826 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 3.627 2.094 -2.693) 4.979 2.444 ( 3.219 1.858 -0.188) 3.721 3.678 ( 3.136 1.811 -12.399) 12.917 3.941 ( 0.442 0.255 0.197) 0.547 4.826 ( -3.733 -2.155 -2.614) 5.041 5.390 ( 0.303 0.175 12.902) 12.907 6.479 ( -1.814 -1.047 4.049) 4.559 6.878 ( 3.831 2.212 -3.448) 5.608 6.973 ( 8.111 4.683 -3.200) 9.897 7.060 ( -7.642 -4.412 -4.195) 9.771 7.595 ( -0.159 -0.092 6.916) 6.918 8.843 ( 2.378 1.373 -2.410) 3.654 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 2.371 1.369 -1.471) 3.108 2.469 ( -1.113 -0.642 0.148) 1.293 3.647 ( -1.413 -0.816 -13.007) 13.109 3.934 ( -1.061 -0.612 0.103) 1.229 4.780 ( 0.401 0.231 -2.244) 2.291 5.386 ( -4.726 -2.729 11.870) 13.064 6.423 ( -3.953 -2.282 2.625) 5.265 6.823 ( -8.400 -4.850 -5.413) 11.108 6.923 ( 0.902 0.521 -2.156) 2.394 7.220 ( 10.503 6.064 -0.831) 12.156 7.653 ( 2.722 1.571 6.602) 7.312 8.862 ( 0.431 0.249 -2.108) 2.166 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( -0.757 -0.437 -0.237) 0.905 2.390 ( -5.909 -3.411 0.524) 6.843 3.551 ( -3.487 -2.013 -8.757) 9.638 3.895 ( -2.258 -1.304 -0.245) 2.618 4.819 ( 3.556 2.053 -3.315) 5.278 5.241 ( -10.878 -6.281 8.977) 15.440 6.316 ( -5.712 -3.298 0.828) 6.648 6.637 ( -6.105 -3.525 -3.277) 7.774 6.910 ( -1.485 -0.857 -0.704) 1.853 7.433 ( 7.970 4.602 -4.081) 10.067 7.754 ( 4.286 2.475 5.257) 7.220 8.874 ( 1.334 0.770 0.361) 1.582 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -0.000 14.631 16.722) 22.220 0.965 ( -0.000 11.980 14.205) 18.582 1.509 ( -0.000 17.427 20.346) 26.790 3.637 ( 0.000 0.560 -1.320) 1.434 3.719 ( 0.000 7.641 -0.562) 7.662 5.637 ( 0.000 0.571 -4.462) 4.498 5.680 ( -0.000 -3.037 -2.372) 3.854 6.445 ( 0.000 24.855 -20.320) 32.104 6.789 ( -0.000 -0.534 1.084) 1.208 6.820 ( -0.000 0.319 2.995) 3.012 8.654 ( -0.000 -5.626 7.127) 9.080 9.203 ( 0.000 -2.149 -3.905) 4.457 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 3.825 15.642 9.794) 18.848 1.225 ( 4.240 11.610 16.381) 20.521 1.853 ( 10.521 20.916 5.313) 24.008 3.669 ( 2.184 1.719 -1.182) 3.020 3.864 ( 7.030 10.149 2.274) 12.554 5.610 ( -1.113 -3.523 -2.373) 4.390 5.747 ( 9.248 0.793 -3.394) 9.883 6.713 ( 7.350 13.230 -10.170) 18.234 6.767 ( 1.849 5.647 -5.450) 8.063 6.828 ( -0.621 -0.920 1.649) 1.988 8.575 ( -3.759 -7.873 6.633) 10.959 9.092 ( -7.642 -3.698 -5.429) 10.078 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 5.386 11.777 7.457) 14.944 1.452 ( 6.695 14.572 8.654) 18.222 2.284 ( 15.214 19.165 -3.999) 24.794 3.725 ( 1.674 3.517 -1.140) 4.059 4.174 ( 14.068 10.352 5.426) 18.290 5.537 ( -1.698 -4.901 -0.758) 5.242 5.931 ( 10.056 3.911 -3.275) 11.276 6.695 ( -2.258 -2.253 2.367) 3.971 6.784 ( -2.624 -0.836 0.296) 2.770 7.097 ( 14.419 13.421 -10.992) 22.558 8.430 ( -5.314 -8.345 6.502) 11.839 8.841 ( -13.077 -4.800 -7.572) 15.855 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 5.849 9.611 2.666) 11.562 1.771 ( 8.799 15.109 3.125) 17.762 2.722 ( 16.397 16.087 -4.626) 23.432 3.790 ( 1.570 4.692 -0.948) 5.038 4.542 ( 14.402 8.148 5.014) 17.290 5.451 ( -2.168 -5.763 1.052) 6.247 6.142 ( 9.378 6.218 -2.461) 11.518 6.645 ( -1.211 -2.583 1.969) 3.466 6.740 ( -2.821 1.835 0.925) 3.490 7.370 ( 8.640 4.889 -8.860) 13.306 8.283 ( -6.087 -8.179 7.207) 12.486 8.546 ( -10.350 -1.964 -8.442) 13.500 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 6.480 7.848 -1.312) 10.262 2.066 ( 7.436 13.716 1.365) 15.661 3.126 ( 14.621 12.605 -3.526) 19.624 3.865 ( 1.329 5.680 -0.754) 5.882 4.834 ( 9.805 4.353 2.794) 11.086 5.355 ( -2.334 -6.490 2.568) 7.360 6.353 ( 7.427 7.071 -0.542) 10.269 6.626 ( 1.230 -1.532 0.588) 2.051 6.737 ( -1.456 4.619 0.674) 4.890 7.416 ( -0.598 -1.750 -8.655) 8.850 8.029 ( -13.329 -8.140 1.616) 15.702 8.511 ( 5.189 2.709 -0.851) 5.915 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 5.272 5.568 -2.531) 8.074 2.304 ( 4.713 11.987 0.594) 12.894 3.434 ( 10.048 7.782 -4.663) 13.538 3.942 ( 0.357 7.007 -0.912) 7.075 4.950 ( 0.109 -1.009 -1.301) 1.649 5.299 ( 2.425 -4.611 6.820) 8.582 6.513 ( 1.967 6.118 3.189) 7.174 6.672 ( 5.306 0.624 -2.685) 5.979 6.791 ( 1.430 6.286 -0.239) 6.451 7.309 ( -4.695 -3.429 -8.192) 10.045 7.759 ( -9.844 -4.939 3.299) 11.497 8.658 ( 7.522 1.622 -0.036) 7.695 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 3.537 3.571 -2.539) 5.631 2.468 ( 1.147 10.078 0.472) 10.154 3.585 ( 4.286 1.943 -7.867) 9.167 4.003 ( -1.741 7.939 -1.872) 8.340 4.858 ( -4.261 -3.443 -3.156) 6.322 5.376 ( 4.919 -2.644 11.144) 12.464 6.559 ( -3.190 3.993 3.861) 6.405 6.792 ( 6.655 2.649 -3.543) 7.991 6.911 ( 4.998 6.807 -0.783) 8.481 7.136 ( -7.740 -3.895 -6.611) 10.898 7.635 ( -2.821 -1.297 5.921) 6.686 8.771 ( 5.093 -0.904 -1.569) 5.406 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 2.501 1.955 -2.131) 3.823 2.546 ( -2.978 8.017 0.653) 8.577 3.586 ( 0.351 -2.144 -10.043) 10.275 4.020 ( -4.086 7.006 -2.350) 8.444 4.775 ( -1.146 -1.201 -2.131) 2.701 5.437 ( 0.368 -3.776 11.635) 12.238 6.521 ( -5.730 1.827 2.735) 6.606 6.893 ( 1.655 2.519 -2.719) 4.059 6.930 ( -7.978 -1.520 -5.619) 9.876 7.106 ( 9.002 5.577 0.129) 10.590 7.647 ( 1.494 0.544 6.128) 6.331 8.810 ( 2.866 -2.943 -2.448) 4.782 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 1.240 -0.314 -1.579) 2.032 2.526 ( -7.588 5.463 0.928) 9.396 3.517 ( -0.768 -3.591 -8.523) 9.280 3.991 ( -5.525 5.525 -1.793) 8.016 4.777 ( 2.057 1.078 -2.260) 3.241 5.371 ( -6.825 -5.982 9.649) 13.247 6.422 ( -7.276 -0.235 1.741) 7.485 6.736 ( -9.008 -0.562 -3.332) 9.621 6.932 ( -0.826 2.114 -1.290) 2.611 7.320 ( 9.118 4.980 -3.087) 10.838 7.721 ( 3.540 1.034 5.219) 6.391 8.817 ( 3.166 -3.473 -1.289) 4.873 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 0.000 14.769 7.488) 16.559 1.374 ( 0.000 14.816 12.865) 19.622 2.027 ( 0.000 25.435 2.191) 25.530 3.650 ( 0.000 1.596 -1.034) 1.901 3.939 ( 0.000 13.492 2.832) 13.786 5.573 ( -0.000 -6.005 -0.593) 6.035 5.666 ( 0.000 4.768 -2.143) 5.228 6.744 ( -0.000 -1.717 0.965) 1.970 6.798 ( 0.000 19.028 -14.218) 23.753 6.834 ( -0.000 -0.445 1.645) 1.704 8.534 ( -0.000 -10.538 5.820) 12.039 9.106 ( 0.000 -3.799 -6.817) 7.804 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 4.260 15.486 4.227) 16.608 1.564 ( 1.426 12.805 9.560) 16.044 2.320 ( 4.920 24.758 -4.647) 25.666 3.706 ( 3.726 2.693 -0.953) 4.695 4.140 ( 5.367 14.670 5.084) 16.428 5.501 ( -0.901 -6.408 0.398) 6.483 5.801 ( 8.365 6.123 -1.036) 10.418 6.700 ( -1.217 -4.151 1.935) 4.739 6.818 ( -1.432 0.255 -0.001) 1.454 7.017 ( 7.499 15.379 -9.456) 19.549 8.417 ( -2.389 -11.404 5.129) 12.731 8.966 ( -8.354 -4.070 -8.251) 12.427 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 1.891 10.694 2.306) 11.102 1.819 ( 6.808 16.694 4.383) 18.554 2.661 ( 9.772 21.066 -5.455) 23.855 3.802 ( 3.157 4.718 -1.062) 5.775 4.432 ( 9.936 11.962 4.560) 16.205 5.417 ( -1.294 -7.182 1.767) 7.509 6.035 ( 10.142 7.931 -0.678) 12.893 6.643 ( -1.353 -3.753 2.247) 4.579 6.801 ( -1.412 1.985 -0.235) 2.447 7.251 ( 8.157 7.364 -7.077) 13.071 8.280 ( -2.435 -10.522 5.756) 12.238 8.709 ( -12.660 -2.415 -9.054) 15.751 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 3.434 9.088 -0.410) 9.724 2.117 ( 6.322 16.901 2.669) 18.241 3.027 ( 11.890 16.337 -3.229) 20.462 3.903 ( 2.195 7.035 -0.959) 7.431 4.716 ( 9.864 7.021 1.932) 12.260 5.322 ( -1.848 -8.125 2.499) 8.699 6.288 ( 9.063 9.271 -0.319) 12.969 6.603 ( -0.239 -2.493 1.660) 3.005 6.813 ( -0.946 4.757 -0.171) 4.853 7.357 ( 2.566 -0.482 -7.225) 7.682 8.133 ( -6.676 -10.026 4.124) 12.732 8.509 ( -4.322 2.070 -4.870) 6.832 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 3.835 7.083 -1.277) 8.156 2.383 ( 4.054 16.229 1.842) 16.829 3.346 ( 9.443 10.694 -2.292) 14.450 4.014 ( 1.267 9.876 -1.211) 10.030 4.905 ( 5.166 2.227 -0.273) 5.633 5.218 ( -0.013 -8.875 3.245) 9.449 6.522 ( 6.668 9.463 0.796) 11.604 6.602 ( 1.989 -0.878 -0.285) 2.193 6.859 ( -0.643 6.879 0.167) 6.911 7.309 ( -2.083 -2.985 -7.213) 8.080 7.892 ( -10.384 -6.599 1.767) 12.430 8.552 ( 5.360 1.235 0.222) 5.505 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 2.839 5.012 -1.424) 5.933 2.589 ( 0.807 15.037 1.700) 15.155 3.528 ( 3.843 4.339 -3.673) 6.862 4.124 ( -1.150 12.052 -2.746) 12.414 4.887 ( -4.296 -3.109 -3.171) 6.179 5.243 ( 8.577 -5.998 7.640) 12.958 6.628 ( 1.078 1.064 0.574) 1.619 6.724 ( 5.442 8.316 -1.014) 9.990 6.927 ( 0.796 6.226 0.904) 6.341 7.201 ( -5.107 -1.210 -6.748) 8.549 7.707 ( -5.831 -2.947 3.705) 7.510 8.654 ( 5.812 -1.986 -0.140) 6.143 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 1.573 3.210 -1.471) 3.865 2.718 ( -3.202 13.470 1.960) 13.983 3.550 ( -0.891 -0.577 -5.834) 5.930 4.177 ( -4.806 11.026 -4.322) 12.781 4.780 ( -2.374 -2.255 -2.080) 3.879 5.362 ( 6.984 -5.595 9.181) 12.820 6.627 ( -2.928 0.753 0.048) 3.024 6.876 ( 3.537 6.662 -1.195) 7.637 7.016 ( 2.445 -0.715 1.607) 3.012 7.083 ( -5.694 7.585 -5.523) 10.975 7.656 ( -0.341 -0.514 4.674) 4.715 8.700 ( 4.014 -4.917 -1.473) 6.516 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 0.522 1.352 -1.530) 2.107 2.752 ( -8.028 10.767 2.162) 13.603 3.481 ( -1.832 -2.635 -5.943) 6.754 4.159 ( -6.652 8.566 -3.605) 11.429 4.753 ( 0.766 0.335 -1.500) 1.718 5.399 ( 0.257 -6.475 7.905) 10.221 6.545 ( -6.308 -0.560 0.916) 6.399 6.882 ( -6.800 -0.379 -3.698) 7.750 6.993 ( -2.079 7.493 0.703) 7.808 7.211 ( 7.331 5.976 -2.808) 9.866 7.691 ( 2.353 0.206 4.329) 4.931 8.700 ( 3.709 -6.372 -1.501) 7.524 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 0.000 14.932 2.222) 15.096 1.702 ( 0.000 11.667 4.786) 12.611 2.518 ( 0.000 24.690 -6.947) 25.648 3.688 ( 0.000 2.757 -0.359) 2.780 4.287 ( 0.000 17.695 6.246) 18.765 5.444 ( -0.000 -7.294 2.126) 7.597 5.799 ( 0.000 8.835 1.007) 8.893 6.673 ( -0.000 -4.460 2.555) 5.140 6.827 ( -0.000 -0.665 -0.286) 0.723 7.075 ( 0.000 13.745 -7.413) 15.617 8.330 ( -0.000 -12.458 3.649) 12.981 8.969 ( 0.000 -3.998 -9.460) 10.270 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 0.369 10.327 -0.426) 10.342 1.874 ( 5.945 14.261 1.770) 15.551 2.753 ( 3.158 21.826 -6.458) 22.979 3.763 ( 4.566 3.445 -0.451) 5.738 4.501 ( 1.676 16.955 5.534) 17.914 5.371 ( -0.890 -7.530 3.525) 8.362 5.969 ( 7.202 10.093 1.959) 12.553 6.634 ( -0.867 -3.653 2.998) 4.804 6.820 ( 0.229 0.398 -1.304) 1.383 7.203 ( 3.723 7.571 -5.070) 9.843 8.210 ( -0.806 -11.570 3.240) 12.042 8.832 ( -7.427 -2.658 -9.875) 12.639 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 1.611 8.261 -1.858) 8.619 2.162 ( 8.567 15.286 1.224) 17.566 3.023 ( 7.026 17.492 -3.331) 19.142 3.893 ( 5.620 4.955 -0.705) 7.526 4.702 ( 2.905 11.977 2.226) 12.524 5.286 ( -1.975 -7.270 3.985) 8.523 6.230 ( 9.231 10.735 1.869) 14.281 6.595 ( -0.958 -2.344 2.464) 3.533 6.846 ( 1.475 2.976 -1.601) 3.687 7.287 ( 2.694 0.375 -4.631) 5.371 8.099 ( -1.041 -10.472 3.472) 11.081 8.636 ( -9.062 0.858 -7.808) 11.993 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 2.876 6.935 -1.411) 7.639 2.459 ( 7.080 15.517 1.083) 17.090 3.303 ( 8.080 11.913 -0.781) 14.416 4.052 ( 5.456 8.195 -0.546) 9.860 4.852 ( 4.044 5.473 -0.032) 6.805 5.175 ( -3.895 -7.407 2.366) 8.697 6.494 ( 7.984 10.435 0.991) 13.176 6.578 ( 0.246 -0.821 1.627) 1.839 6.916 ( 1.766 5.662 -1.096) 6.031 7.275 ( 0.042 -2.955 -5.000) 5.808 7.959 ( -5.041 -8.942 1.576) 10.385 8.536 ( -2.158 2.543 -2.317) 4.061 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 2.618 5.358 -0.806) 6.017 2.714 ( 3.901 15.226 1.373) 15.777 3.502 ( 4.399 5.605 -0.699) 7.159 4.235 ( 3.244 12.468 -1.205) 12.940 4.933 ( -2.364 1.824 -2.757) 4.064 5.054 ( 3.624 -9.669 3.898) 11.037 6.592 ( 1.985 0.474 -0.980) 2.264 6.723 ( 5.933 9.208 1.837) 11.107 6.986 ( -0.337 4.209 -0.036) 4.222 7.234 ( -0.624 1.074 -4.824) 4.982 7.786 ( -6.191 -5.114 1.350) 8.143 8.558 ( 2.648 -0.858 0.295) 2.799 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 1.399 3.734 -0.623) 4.036 2.903 ( -0.082 14.473 2.155) 14.633 3.555 ( -0.892 0.244 -2.355) 2.530 4.367 ( -3.290 13.979 -3.738) 14.839 4.808 ( -5.142 -2.504 -2.385) 6.196 5.155 ( 11.453 -7.514 6.063) 14.979 6.633 ( 1.680 0.907 -1.338) 2.332 6.894 ( 3.182 7.294 -0.266) 7.962 6.981 ( -0.144 -2.009 1.225) 2.358 7.251 ( -3.168 10.139 -3.400) 11.154 7.680 ( -2.391 -2.019 2.561) 4.044 8.581 ( 3.030 -4.986 -0.177) 5.837 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 0.049 2.171 -0.756) 2.299 3.005 ( -5.493 12.661 2.969) 14.117 3.485 ( -3.224 -2.761 -3.450) 5.470 4.371 ( -8.218 11.047 -4.063) 14.355 4.745 ( -0.205 -0.248 -0.933) 0.986 5.277 ( 8.067 -7.768 5.141) 12.323 6.629 ( -3.197 0.376 0.211) 3.226 6.919 ( -1.076 -0.490 -4.011) 4.182 7.038 ( 3.947 1.810 2.404) 4.963 7.287 ( -4.800 13.252 -2.310) 14.283 7.673 ( 1.177 -0.400 2.822) 3.084 8.566 ( 3.011 -7.385 -0.592) 7.997 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 0.000 7.848 -3.528) 8.605 1.933 ( 0.000 13.426 -0.917) 13.458 2.912 ( 0.000 18.984 -5.778) 19.844 3.754 ( 0.000 3.734 0.401) 3.755 4.688 ( 0.000 16.774 5.141) 17.544 5.323 ( -0.000 -6.407 5.258) 8.288 6.023 ( 0.000 11.519 3.688) 12.095 6.622 ( -0.000 -2.421 3.706) 4.426 6.805 ( 0.000 -0.643 -2.352) 2.438 7.224 ( 0.000 4.593 -3.485) 5.766 8.111 ( -0.000 -10.659 1.497) 10.763 8.838 ( 0.000 -2.092 -10.057) 10.272 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 0.154 6.708 -4.163) 7.896 2.143 ( 8.455 12.408 -1.538) 15.093 3.094 ( 2.988 15.137 -2.767) 15.675 3.837 ( 4.643 3.940 0.233) 6.094 4.828 ( -1.377 10.170 2.621) 10.592 5.284 ( -1.785 -2.053 5.503) 6.139 6.213 ( 6.240 11.736 3.976) 13.874 6.607 ( -1.197 -0.945 3.288) 3.624 6.815 ( 2.741 0.496 -2.760) 3.922 7.246 ( 0.829 -0.237 -2.691) 2.825 8.014 ( -0.148 -9.225 0.812) 9.262 8.743 ( -5.333 0.074 -8.291) 9.859 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 2.339 5.827 -2.481) 6.751 2.438 ( 11.110 12.183 -1.287) 16.538 3.296 ( 5.644 10.461 0.480) 11.896 3.989 ( 7.911 4.738 0.199) 9.224 4.872 ( -0.451 1.543 1.504) 2.201 5.240 ( -5.861 2.520 2.015) 6.690 6.468 ( 7.900 10.931 2.929) 13.801 6.589 ( -1.229 0.191 2.037) 2.387 6.895 ( 5.021 3.185 -2.156) 6.325 7.225 ( 0.219 -3.552 -2.468) 4.331 7.919 ( -1.119 -8.389 0.013) 8.463 8.631 ( -5.792 2.383 -4.227) 7.556 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 2.906 4.791 -0.888) 5.673 2.738 ( 9.523 12.088 -0.892) 15.414 3.476 ( 4.929 4.962 1.710) 7.200 4.211 ( 10.424 7.079 0.983) 12.639 4.878 ( 2.587 -4.402 2.372) 5.630 5.126 ( -10.713 3.686 -2.830) 11.677 6.584 ( -0.096 1.619 -0.199) 1.634 6.711 ( 6.728 8.704 3.125) 11.436 7.004 ( 2.326 3.089 -1.728) 4.235 7.202 ( 2.866 -0.943 -1.913) 3.573 7.807 ( -2.830 -6.410 -0.586) 7.031 8.567 ( -3.201 1.361 -0.606) 3.531 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 2.022 3.447 -0.229) 4.003 2.992 ( 5.980 11.783 0.036) 13.213 3.555 ( 0.738 -0.281 0.516) 0.943 4.469 ( 7.460 10.464 0.298) 12.854 4.889 ( 2.014 -8.116 2.240) 8.656 4.960 ( -6.506 2.596 -2.818) 7.550 6.614 ( 1.477 2.325 -0.695) 2.841 6.893 ( 4.658 5.579 2.841) 7.804 6.986 ( -2.447 -1.965 -2.086) 3.768 7.324 ( 5.237 8.209 -1.083) 9.797 7.705 ( -2.719 -3.455 0.073) 4.397 8.524 ( -1.460 -2.634 0.271) 3.024 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 0.571 2.052 -0.186) 2.138 3.176 ( 1.307 11.157 1.532) 11.337 3.502 ( -3.438 -4.395 -1.197) 5.707 4.620 ( -4.853 13.153 -2.494) 14.240 4.763 ( -4.754 -0.722 -0.976) 4.906 5.024 ( 11.628 -8.742 3.064) 14.867 6.665 ( 0.801 2.923 0.071) 3.031 6.910 ( -1.680 -3.024 -2.297) 4.152 7.004 ( 2.682 2.421 1.596) 3.950 7.472 ( -0.520 11.544 -1.097) 11.607 7.658 ( 0.219 -1.441 1.185) 1.879 8.464 ( 0.027 -6.119 0.027) 6.119 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 0.000 4.950 -5.545) 7.433 2.166 ( 0.000 10.763 -1.803) 10.913 3.195 ( 0.000 11.401 -0.712) 11.423 3.836 ( 0.000 3.856 0.694) 3.918 4.903 ( -0.000 -0.021 2.692) 2.692 5.350 ( 0.000 7.406 4.270) 8.549 6.291 ( 0.000 11.825 4.997) 12.837 6.636 ( -0.000 1.273 4.000) 4.198 6.769 ( 0.000 -0.832 -3.909) 3.997 7.222 ( -0.000 -2.269 -1.758) 2.871 7.931 ( -0.000 -7.449 -1.160) 7.539 8.764 ( 0.000 0.512 -6.870) 6.889 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 1.435 4.534 -3.185) 5.723 2.348 ( 9.328 9.267 -1.992) 13.299 3.317 ( 2.832 7.402 2.151) 8.212 3.917 ( 4.738 3.518 0.613) 5.933 4.874 ( -0.793 -4.678 3.036) 5.633 5.412 ( -4.756 9.845 0.090) 10.934 6.471 ( 5.277 10.605 4.347) 12.618 6.638 ( -2.484 1.836 2.085) 3.727 6.809 ( 5.721 1.029 -2.222) 6.223 7.182 ( -0.319 -4.221 -1.250) 4.414 7.854 ( -0.480 -6.102 -2.371) 6.564 8.722 ( -3.522 1.692 -3.749) 5.415 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 2.909 4.011 -0.825) 5.023 2.630 ( 13.090 8.317 -2.240) 15.669 3.445 ( 4.170 3.103 4.024) 6.574 4.079 ( 9.759 3.431 1.538) 10.459 4.824 ( -0.256 -5.098 2.790) 5.817 5.366 ( -10.002 7.996 -4.011) 13.419 6.621 ( -1.633 1.676 0.738) 2.453 6.690 ( 6.612 8.775 3.086) 11.412 6.949 ( 7.158 3.616 -1.252) 8.116 7.129 ( 0.830 -4.880 -0.295) 4.959 7.776 ( -1.248 -4.679 -2.827) 5.607 8.659 ( -4.894 1.799 -0.702) 5.261 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 2.674 2.892 0.115) 3.941 2.926 ( 12.124 7.649 -2.309) 14.520 3.526 ( 2.138 -1.388 3.214) 4.102 4.331 ( 14.076 3.166 3.198) 14.778 4.785 ( 0.527 -4.663 1.976) 5.092 5.214 ( -13.288 6.328 -5.339) 15.656 6.626 ( -0.016 2.054 0.157) 2.060 6.872 ( 4.601 4.437 3.607) 7.339 7.004 ( -1.743 0.179 -2.974) 3.452 7.227 ( 11.343 2.534 1.212) 11.686 7.705 ( -1.559 -2.610 -2.281) 3.801 8.578 ( -5.563 -0.258 0.424) 5.585 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 0.000 3.858 -1.921) 4.309 2.338 ( 0.000 7.412 -1.164) 7.503 3.361 ( 0.000 4.296 4.492) 6.216 3.908 ( 0.000 2.726 0.377) 2.752 4.837 ( -0.000 -5.742 3.474) 6.711 5.551 ( 0.000 9.208 -3.208) 9.751 6.533 ( 0.000 8.206 3.192) 8.805 6.726 ( 0.000 4.643 4.520) 6.479 6.727 ( 0.000 -0.227 -2.863) 2.872 7.138 ( -0.000 -4.623 -1.075) 4.746 7.798 ( -0.000 -3.983 -4.005) 5.648 8.759 ( 0.000 1.618 -1.630) 2.297 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 1.846 3.681 0.271) 4.127 2.486 ( 9.429 5.641 -1.246) 11.058 3.430 ( 2.091 1.512 6.557) 7.046 3.978 ( 5.305 1.951 0.760) 5.703 4.792 ( -0.367 -4.435 3.005) 5.370 5.561 ( -5.631 5.957 -6.404) 10.402 6.623 ( 2.684 0.319 -1.425) 3.055 6.721 ( 0.212 6.889 3.047) 7.536 6.858 ( 6.293 3.342 3.481) 7.930 7.083 ( -0.753 -3.969 -1.346) 4.258 7.746 ( -0.732 -2.196 -4.587) 5.138 8.747 ( -3.037 1.564 0.591) 3.467 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 2.401 2.695 1.012) 3.748 2.739 ( 13.949 3.999 -2.231) 14.681 3.489 ( 1.720 -1.619 6.054) 6.498 4.140 ( 10.847 1.071 2.935) 11.288 4.759 ( -0.347 -2.543 1.970) 3.236 5.447 ( -9.544 3.460 -7.414) 12.570 6.629 ( 0.771 -1.721 -0.411) 1.930 6.857 ( 3.880 5.594 2.794) 7.359 7.030 ( 4.832 -5.087 0.810) 7.063 7.041 ( 4.590 6.248 0.585) 7.774 7.701 ( -1.120 -0.511 -4.105) 4.285 8.686 ( -5.783 0.537 1.380) 5.970 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 0.000 3.935 1.938) 4.387 2.444 ( 0.000 3.508 -0.203) 3.514 3.451 ( -0.000 0.626 9.130) 9.152 3.944 ( 0.000 0.704 -0.101) 0.711 4.768 ( -0.000 -3.029 2.786) 4.115 5.623 ( 0.000 1.754 -9.053) 9.221 6.569 ( 0.000 -2.580 -4.496) 5.184 6.798 ( 0.000 5.102 4.120) 6.558 6.840 ( -0.000 0.025 6.967) 6.967 7.068 ( 0.000 1.572 -2.425) 2.890 7.724 ( 0.000 -0.178 -5.366) 5.369 8.794 ( -0.000 1.470 2.095) 2.559 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 0.800 3.184 2.262) 3.986 2.552 ( 9.194 1.427 -0.649) 9.327 3.487 ( 0.019 -0.891 9.253) 9.296 4.002 ( 6.388 -0.124 1.185) 6.498 4.752 ( -0.196 -1.214 2.144) 2.472 5.547 ( -4.327 -1.724 -9.965) 11.000 6.551 ( 3.085 -4.489 -3.194) 6.314 6.862 ( 4.167 -0.813 3.369) 5.420 6.875 ( 2.067 -1.484 4.873) 5.497 7.110 ( -0.419 8.451 -0.536) 8.479 7.705 ( -0.732 1.320 -5.213) 5.427 8.784 ( -3.659 0.995 2.475) 4.528 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 0.000 3.338 2.453) 4.143 2.469 ( -0.000 -1.168 0.109) 1.174 3.521 ( -0.000 -0.741 11.479) 11.503 3.936 ( -0.000 -1.335 -0.192) 1.348 4.757 ( -0.000 0.373 2.192) 2.224 5.504 ( 0.000 -6.333 -11.143) 12.817 6.455 ( -0.000 -5.466 -3.608) 6.549 6.772 ( -0.000 -8.258 4.657) 9.481 6.897 ( -0.000 1.847 3.023) 3.543 7.210 ( 0.000 10.442 1.042) 10.494 7.714 ( 0.000 2.732 -5.523) 6.162 8.838 ( -0.000 1.242 2.512) 2.802 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -0.000 -0.000 16.915) 16.915 0.872 ( -0.000 -0.000 16.915) 16.915 1.443 ( -0.000 -0.000 29.236) 29.236 3.630 ( 0.000 0.000 -1.428) 1.428 3.630 ( 0.000 0.000 -1.428) 1.428 5.644 ( 0.000 0.000 -4.784) 4.784 5.644 ( 0.000 0.000 -4.784) 4.784 6.078 ( 0.000 0.000 -13.295) 13.295 6.815 ( -0.000 -0.000 3.256) 3.256 6.815 ( -0.000 -0.000 3.256) 3.256 8.737 ( -0.000 -0.000 7.713) 7.713 9.219 ( 0.000 0.000 -3.074) 3.074 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 6.507 3.757 13.964) 15.857 1.112 ( 10.413 6.012 17.171) 20.962 1.625 ( 8.722 5.036 16.288) 19.150 3.642 ( 1.132 0.654 -1.470) 1.967 3.714 ( 8.074 4.662 0.498) 9.337 5.626 ( 0.098 0.057 -4.398) 4.399 5.716 ( 5.131 2.962 -5.036) 7.776 6.292 ( 20.153 11.635 -17.004) 28.821 6.787 ( -2.189 -1.264 3.458) 4.283 6.845 ( 0.107 0.062 1.622) 1.627 8.708 ( -4.638 -2.678 7.701) 9.380 9.148 ( -5.521 -3.188 -4.188) 7.628 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 11.401 6.582 8.842) 15.859 1.360 ( 5.794 3.345 17.356) 18.601 1.967 ( 18.375 10.609 -1.607) 21.279 3.673 ( 1.985 1.146 -1.394) 2.682 3.998 ( 15.012 8.667 4.276) 17.854 5.588 ( -1.999 -1.154 -3.142) 3.899 5.844 ( 7.370 4.255 -5.134) 9.939 6.741 ( -2.665 -1.539 3.595) 4.732 6.749 ( 19.043 10.994 -14.293) 26.226 6.830 ( 1.303 0.753 0.823) 1.715 8.587 ( -7.657 -4.421 7.628) 11.677 8.935 ( -11.177 -6.453 -6.078) 14.266 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 6.456 3.728 8.448) 11.267 1.547 ( 13.060 7.540 4.627) 15.774 2.420 ( 20.920 12.078 -4.467) 24.566 3.723 ( 2.747 1.586 -1.178) 3.384 4.386 ( 16.084 9.286 5.206) 19.288 5.523 ( -2.900 -1.674 -1.311) 3.596 6.018 ( 9.006 5.199 -4.828) 11.465 6.694 ( -2.286 -1.320 3.549) 4.423 6.747 ( -2.992 -1.728 0.233) 3.463 7.187 ( 15.894 9.177 -9.935) 20.870 8.437 ( -7.171 -4.140 8.573) 11.919 8.616 ( -13.178 -7.609 -7.865) 17.129 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 8.137 4.698 1.866) 9.580 1.855 ( 12.396 7.157 1.982) 14.451 2.874 ( 18.990 10.964 -3.249) 22.167 3.789 ( 3.133 1.809 -0.871) 3.720 4.735 ( 12.119 6.997 3.715) 14.479 5.445 ( -3.682 -2.126 0.192) 4.256 6.220 ( 9.489 5.478 -3.742) 11.578 6.665 ( -1.099 -0.635 2.960) 3.221 6.694 ( -1.366 -0.789 0.525) 1.663 7.384 ( 3.653 2.109 -9.207) 10.127 8.200 ( -14.754 -8.518 0.133) 17.037 8.468 ( 2.408 1.390 1.915) 3.376 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 7.474 4.315 -1.113) 8.702 2.122 ( 10.179 5.877 0.690) 11.774 3.252 ( 14.242 8.223 -3.814) 16.882 3.857 ( 2.883 1.665 -0.513) 3.368 4.940 ( 3.984 2.300 0.907) 4.689 5.373 ( -1.779 -1.027 2.822) 3.490 6.413 ( 7.374 4.257 -0.882) 8.560 6.670 ( 1.196 0.690 0.681) 1.540 6.700 ( 2.001 1.155 -0.179) 2.318 7.339 ( -3.626 -2.093 -8.091) 9.110 7.885 ( -11.714 -6.763 1.623) 13.623 8.603 ( 6.819 3.937 2.186) 8.172 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 5.435 3.138 -2.243) 6.665 2.324 ( 6.999 4.041 0.201) 8.084 3.487 ( 7.556 4.362 -7.453) 11.475 3.913 ( 1.958 1.130 -0.126) 2.264 4.910 ( -4.566 -2.636 -3.333) 6.237 5.422 ( 3.297 1.903 9.092) 9.857 6.523 ( 1.428 0.824 3.805) 4.147 6.738 ( 4.965 2.867 -3.536) 6.736 6.788 ( 5.822 3.361 -1.403) 6.868 7.195 ( -6.459 -3.729 -6.484) 9.882 7.698 ( -5.262 -3.038 5.439) 8.155 8.746 ( 4.826 2.786 -0.392) 5.586 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 3.840 2.217 -2.594) 5.137 2.443 ( 3.224 1.861 0.006) 3.723 3.556 ( 1.677 0.968 -11.434) 11.597 3.943 ( 0.499 0.288 0.165) 0.599 4.797 ( -3.169 -1.830 -2.983) 4.722 5.516 ( 0.739 0.426 11.723) 11.754 6.523 ( -2.270 -1.311 4.550) 5.251 6.840 ( 4.326 2.498 -4.015) 6.409 6.914 ( 1.551 0.896 -7.319) 7.535 7.049 ( -0.459 -0.265 1.054) 1.180 7.664 ( -0.075 -0.043 6.459) 6.460 8.818 ( 1.957 1.130 -2.473) 3.350 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -0.000 9.468 11.399) 14.818 1.128 ( -0.000 14.127 15.063) 20.651 1.698 ( -0.000 8.879 16.484) 18.723 3.623 ( 0.000 0.650 -1.251) 1.410 3.716 ( 0.000 8.764 0.077) 8.764 5.598 ( 0.000 1.136 -3.071) 3.274 5.647 ( 0.000 -1.560 -4.083) 4.371 6.261 ( 0.000 23.863 -15.787) 28.612 6.808 ( -0.000 -1.765 2.353) 2.941 6.847 ( -0.000 -0.019 2.202) 2.202 8.729 ( -0.000 -6.082 7.574) 9.713 9.158 ( 0.000 -3.226 -4.916) 5.880 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 3.152 12.945 8.378) 15.738 1.392 ( 5.153 9.468 16.359) 19.591 1.887 ( 5.720 15.356 1.248) 16.434 3.656 ( 2.080 1.882 -1.236) 3.065 3.892 ( 8.352 11.354 2.994) 14.410 5.582 ( -1.023 -2.084 -3.015) 3.805 5.714 ( 8.317 1.899 -3.127) 9.086 6.568 ( 12.079 22.028 -13.454) 28.498 6.776 ( -1.758 -2.326 2.523) 3.856 6.844 ( -0.725 -0.582 1.201) 1.518 8.646 ( -3.669 -8.629 7.349) 11.913 9.031 ( -7.779 -4.805 -6.501) 11.219 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 6.834 13.060 4.862) 15.521 1.568 ( 1.717 7.665 11.767) 14.148 2.237 ( 14.817 18.355 -5.082) 24.131 3.713 ( 1.698 3.633 -1.201) 4.186 4.225 ( 14.450 10.533 4.366) 18.407 5.525 ( -1.350 -3.475 -1.532) 4.031 5.896 ( 9.366 5.256 -3.611) 11.330 6.722 ( -2.026 -2.922 2.980) 4.639 6.781 ( -1.525 0.213 -0.856) 1.761 6.999 ( 14.148 14.252 -8.226) 21.702 8.503 ( -4.692 -8.924 7.770) 12.729 8.763 ( -13.423 -5.772 -7.766) 16.547 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 4.127 7.123 3.821) 9.076 1.806 ( 7.460 14.605 3.618) 16.794 2.681 ( 17.045 16.190 -3.334) 23.744 3.780 ( 1.672 4.767 -1.021) 5.154 4.584 ( 14.130 7.438 2.943) 16.237 5.454 ( -1.859 -4.558 -0.275) 4.930 6.111 ( 9.215 7.642 -3.645) 12.514 6.669 ( -1.403 -3.159 2.477) 4.252 6.749 ( -2.430 1.705 0.787) 3.071 7.283 ( 8.209 5.634 -8.162) 12.875 8.349 ( -9.858 -9.556 4.254) 14.373 8.482 ( -5.576 -1.342 -2.751) 6.361 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 5.352 6.809 0.833) 8.701 2.082 ( 6.640 13.762 1.879) 15.395 3.095 ( 14.355 12.619 -2.485) 19.273 3.857 ( 1.455 5.612 -0.849) 5.860 4.856 ( 9.316 3.390 1.354) 10.006 5.370 ( -1.531 -5.402 0.373) 5.627 6.334 ( 8.244 8.522 -2.927) 12.213 6.638 ( 0.438 -2.263 1.399) 2.697 6.746 ( -1.621 4.267 1.042) 4.682 7.332 ( -0.620 -1.264 -7.564) 7.694 8.036 ( -13.262 -7.279 -0.071) 15.128 8.526 ( 5.955 1.510 3.722) 7.183 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 4.580 5.344 -0.680) 7.071 2.314 ( 4.180 12.295 1.217) 13.043 3.387 ( 8.350 7.714 -4.427) 12.200 3.932 ( 0.484 6.393 -0.884) 6.472 4.932 ( -1.602 -2.160 -2.288) 3.531 5.360 ( 5.540 -2.961 5.048) 8.059 6.529 ( 4.455 7.770 -0.226) 8.959 6.653 ( 3.397 -0.888 -0.791) 3.599 6.790 ( 0.585 6.422 -0.007) 6.449 7.235 ( -4.562 -3.207 -6.153) 8.304 7.793 ( -8.136 -4.348 3.406) 9.833 8.666 ( 6.492 0.797 1.543) 6.720 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 3.112 3.732 -1.621) 5.123 2.475 ( 0.726 10.567 0.909) 10.631 3.504 ( 2.006 2.593 -7.842) 8.500 3.987 ( -1.371 6.444 -1.198) 6.696 4.825 ( -3.994 -3.022 -3.315) 6.006 5.481 ( 6.471 -2.447 9.316) 11.604 6.597 ( -2.678 2.894 3.332) 5.162 6.756 ( 6.433 3.409 -3.545) 8.098 6.893 ( 3.059 7.357 -2.855) 8.464 7.088 ( -5.637 -3.516 -2.636) 7.147 7.694 ( -2.060 -1.526 5.551) 6.114 8.756 ( 4.084 -1.238 -1.210) 4.436 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 0.000 12.563 5.059) 13.543 1.508 ( -0.000 11.717 13.342) 17.756 2.024 ( 0.000 19.784 -2.799) 19.981 3.641 ( 0.000 1.795 -0.695) 1.925 3.974 ( 0.000 15.195 3.979) 15.707 5.561 ( -0.000 -4.281 -1.782) 4.637 5.655 ( 0.000 5.655 -0.082) 5.656 6.665 ( 0.000 23.564 -10.772) 25.910 6.767 ( -0.000 -3.661 2.264) 4.305 6.845 ( -0.000 -0.982 0.524) 1.113 8.596 ( -0.000 -11.690 6.379) 13.317 9.030 ( 0.000 -4.929 -8.131) 9.509 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 4.105 13.490 2.704) 14.358 1.659 ( 1.401 8.245 8.804) 12.142 2.262 ( 4.865 23.423 -6.482) 24.785 3.698 ( 3.462 2.859 -0.699) 4.544 4.193 ( 5.180 15.489 5.073) 17.102 5.501 ( -0.995 -4.597 -0.205) 4.708 5.797 ( 7.471 7.296 0.301) 10.447 6.724 ( -1.144 -4.033 2.632) 4.950 6.809 ( -1.289 1.746 -1.556) 2.670 6.938 ( 7.694 15.545 -5.907) 18.323 8.473 ( -1.850 -12.579 5.951) 14.038 8.876 ( -8.201 -5.005 -9.316) 13.383 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 1.973 8.193 1.611) 8.580 1.861 ( 6.403 14.903 3.621) 16.619 2.610 ( 10.788 21.318 -4.210) 24.260 3.792 ( 3.098 4.789 -0.791) 5.758 4.471 ( 8.901 11.582 3.116) 14.936 5.431 ( -1.471 -5.589 0.991) 5.863 6.029 ( 9.083 9.361 -0.430) 13.050 6.669 ( -1.553 -3.790 2.517) 4.807 6.796 ( -0.921 1.548 -0.660) 1.919 7.189 ( 7.477 8.355 -5.105) 12.319 8.344 ( -1.503 -11.734 6.728) 13.609 8.617 ( -11.834 -2.537 -8.974) 15.067 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 3.408 7.696 0.503) 8.432 2.143 ( 6.150 16.357 2.243) 17.618 3.000 ( 12.356 16.796 -1.928) 20.941 3.894 ( 2.151 7.069 -0.710) 7.423 4.730 ( 9.375 6.264 0.720) 11.299 5.339 ( -2.280 -7.088 0.878) 7.498 6.280 ( 8.357 10.654 -1.202) 13.594 6.621 ( -0.707 -2.738 1.622) 3.260 6.812 ( -0.352 4.157 0.100) 4.173 7.293 ( 1.695 0.174 -5.270) 5.539 8.163 ( -9.276 -10.241 1.447) 13.893 8.480 ( 0.202 1.519 -0.529) 1.621 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 3.636 6.592 0.127) 7.529 2.402 ( 3.949 16.141 1.972) 16.733 3.324 ( 8.618 11.141 -2.049) 14.233 4.003 ( 0.922 9.618 -1.032) 9.717 4.899 ( 4.030 1.212 -0.943) 4.313 5.243 ( 1.653 -7.702 1.669) 8.052 6.514 ( 6.876 10.285 -1.750) 12.495 6.608 ( 1.026 -0.973 0.666) 1.563 6.864 ( -0.290 6.612 0.785) 6.665 7.248 ( -2.460 -2.571 -4.712) 5.905 7.907 ( -9.574 -6.189 1.168) 11.460 8.564 ( 5.798 0.192 2.029) 6.145 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 2.456 4.975 -0.341) 5.559 2.608 ( 0.662 15.303 2.113) 15.463 3.488 ( 2.159 5.049 -4.200) 6.913 4.098 ( -1.680 11.033 -2.253) 11.385 4.854 ( -4.349 -3.058 -3.161) 6.186 5.314 ( 10.459 -5.605 6.187) 13.382 6.627 ( 1.978 -0.530 -0.502) 2.108 6.713 ( 4.463 9.861 -1.421) 10.917 6.937 ( 0.539 7.146 1.096) 7.249 7.146 ( -5.067 -1.345 -3.709) 6.422 7.743 ( -4.549 -3.210 3.472) 6.561 8.654 ( 4.956 -2.449 0.276) 5.535 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 0.000 13.558 0.443) 13.565 1.742 ( 0.000 6.913 2.747) 7.439 2.444 ( 0.000 24.456 -7.123) 25.472 3.687 ( 0.000 3.014 0.121) 3.017 4.351 ( 0.000 18.130 6.060) 19.116 5.462 ( -0.000 -5.394 1.504) 5.600 5.820 ( 0.000 9.649 2.918) 10.081 6.702 ( -0.000 -4.053 2.942) 5.008 6.818 ( 0.000 -1.310 -1.442) 1.948 7.016 ( 0.000 15.490 -4.040) 16.008 8.370 ( -0.000 -13.795 4.334) 14.459 8.866 ( 0.000 -4.541 -10.805) 11.720 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 0.504 8.180 -1.601) 8.351 1.883 ( 6.978 12.312 -0.115) 14.153 2.695 ( 4.039 22.648 -4.733) 23.487 3.761 ( 4.124 3.651 0.022) 5.508 4.552 ( 0.673 16.308 4.476) 16.924 5.404 ( -1.157 -5.810 2.886) 6.590 5.995 ( 6.379 10.924 3.086) 13.021 6.665 ( -1.132 -3.431 2.874) 4.617 6.803 ( 0.433 -0.125 -2.090) 2.138 7.167 ( 3.422 8.346 -1.869) 9.212 8.247 ( 0.005 -12.938 4.043) 13.555 8.727 ( -6.894 -2.398 -10.780) 13.019 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 2.419 7.240 -1.671) 7.814 2.168 ( 9.430 14.205 -0.019) 17.050 2.997 ( 7.832 18.569 -1.722) 20.227 3.889 ( 5.416 5.137 -0.212) 7.468 4.721 ( 1.754 11.168 1.472) 11.400 5.320 ( -2.794 -6.375 2.658) 7.451 6.248 ( 8.120 11.577 1.777) 14.252 6.619 ( -1.405 -2.408 1.932) 3.392 6.830 ( 2.048 2.526 -1.541) 3.598 7.254 ( 1.699 0.726 -1.712) 2.520 8.133 ( -0.913 -12.260 3.263) 12.720 8.559 ( -6.838 2.139 -6.992) 10.011 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 3.400 6.592 -0.499) 7.434 2.467 ( 7.846 14.750 0.389) 16.711 3.297 ( 7.875 12.892 -0.290) 15.109 4.048 ( 5.178 8.514 -0.191) 9.967 4.851 ( 3.510 5.501 0.003) 6.525 5.191 ( -4.382 -7.807 0.828) 8.991 6.497 ( 6.512 10.220 -0.067) 12.119 6.595 ( 0.372 0.087 1.169) 1.230 6.908 ( 2.500 5.230 -0.435) 5.813 7.239 ( -0.835 -2.477 -1.884) 3.222 7.970 ( -5.416 -9.515 0.550) 10.962 8.520 ( 0.185 2.578 -0.830) 2.715 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 2.672 5.251 0.046) 5.892 2.727 ( 4.683 14.728 1.234) 15.504 3.492 ( 3.195 6.415 -1.307) 7.285 4.222 ( 2.001 12.689 -1.224) 12.904 4.904 ( -4.183 0.797 -2.766) 5.077 5.092 ( 6.570 -8.919 3.641) 11.661 6.584 ( 1.753 0.525 -0.450) 1.885 6.731 ( 4.981 9.828 -0.593) 11.034 6.990 ( 0.584 3.640 0.913) 3.798 7.200 ( -1.331 1.742 -1.606) 2.717 7.799 ( -5.200 -5.452 1.028) 7.604 8.562 ( 2.816 -1.209 0.472) 3.101 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 0.000 6.005 -4.883) 7.740 1.920 ( 0.000 12.943 -1.686) 13.053 2.865 ( 0.000 20.454 -3.372) 20.730 3.760 ( 0.000 3.864 0.746) 3.936 4.734 ( 0.000 15.311 3.652) 15.740 5.373 ( -0.000 -4.937 4.475) 6.664 6.066 ( 0.000 11.964 4.850) 12.909 6.658 ( -0.000 -2.119 3.145) 3.792 6.777 ( 0.000 -1.225 -3.248) 3.471 7.207 ( 0.000 4.700 0.346) 4.712 8.128 ( -0.000 -12.114 2.045) 12.286 8.730 ( 0.000 -0.940 -10.892) 10.933 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 1.254 6.384 -3.891) 7.581 2.124 ( 8.807 12.064 -2.030) 15.074 3.076 ( 3.478 16.792 -0.789) 17.167 3.841 ( 4.326 4.063 0.587) 5.964 4.851 ( -1.867 9.438 1.689) 9.768 5.332 ( -2.476 -2.282 3.931) 5.176 6.255 ( 5.413 12.027 4.288) 13.869 6.636 ( -1.746 -0.977 2.132) 2.924 6.786 ( 3.311 0.314 -2.834) 4.370 7.237 ( 0.414 -0.517 1.051) 1.242 8.022 ( 0.355 -11.003 0.853) 11.042 8.658 ( -4.404 2.123 -8.190) 9.538 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 3.211 6.066 -1.465) 7.018 2.422 ( 11.689 11.671 -1.791) 16.614 3.306 ( 5.735 11.969 1.409) 13.346 3.994 ( 7.863 5.163 0.687) 9.431 4.887 ( -0.865 2.698 1.431) 3.174 5.251 ( -6.866 0.003 0.157) 6.867 6.494 ( 6.491 11.010 2.226) 12.973 6.606 ( -1.151 0.264 1.086) 1.604 6.876 ( 5.444 3.150 -1.589) 6.487 7.218 ( -0.368 -3.497 1.105) 3.686 7.916 ( -0.774 -9.955 -0.596) 10.003 8.592 ( -4.223 4.037 -3.417) 6.769 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 0.000 5.795 -4.002) 7.043 2.148 ( 0.000 10.923 -1.696) 11.054 3.198 ( 0.000 13.321 1.201) 13.375 3.844 ( 0.000 3.743 0.754) 3.818 4.928 ( -0.000 0.937 1.984) 2.194 5.382 ( 0.000 4.523 1.975) 4.936 6.342 ( 0.000 11.640 4.975) 12.658 6.671 ( -0.000 1.615 2.831) 3.259 6.728 ( 0.000 -0.976 -4.042) 4.158 7.225 ( -0.000 -2.980 2.251) 3.735 7.917 ( -0.000 -9.132 -1.525) 9.259 8.696 ( 0.000 3.112 -6.326) 7.050 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 2.097 5.603 -1.385) 6.140 2.329 ( 9.009 9.482 -1.715) 13.191 3.346 ( 2.866 9.290 3.560) 10.353 3.924 ( 4.902 3.540 0.790) 6.098 4.905 ( -1.005 -3.908 2.948) 4.997 5.399 ( -5.176 6.772 -2.630) 8.920 6.510 ( 4.755 10.005 3.207) 11.532 6.650 ( -2.756 1.312 0.354) 3.073 6.793 ( 5.851 2.440 -0.839) 6.395 7.189 ( -0.376 -4.969 2.669) 5.653 7.826 ( -0.099 -7.513 -3.102) 8.129 8.688 ( -2.970 4.001 -2.861) 5.746 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 0.000 5.330 0.309) 5.339 2.328 ( 0.000 7.787 -0.740) 7.822 3.417 ( 0.000 6.351 6.299) 8.945 3.911 ( 0.000 2.490 0.269) 2.505 4.874 ( -0.000 -5.752 3.672) 6.824 5.502 ( 0.000 6.595 -6.478) 9.244 6.548 ( 0.000 4.698 -0.669) 4.746 6.714 ( 0.000 2.960 0.702) 3.042 6.766 ( 0.000 5.794 3.086) 6.565 7.146 ( -0.000 -6.155 2.885) 6.797 7.752 ( -0.000 -4.866 -5.012) 6.985 8.748 ( 0.000 3.772 -0.633) 3.825 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -0.000 -0.000 12.966) 12.966 1.024 ( -0.000 -0.000 12.966) 12.966 1.710 ( -0.000 -0.000 23.104) 23.104 3.616 ( 0.000 0.000 -1.382) 1.382 3.616 ( 0.000 0.000 -1.382) 1.382 5.599 ( 0.000 0.000 -3.969) 3.969 5.599 ( 0.000 0.000 -3.969) 3.969 5.948 ( 0.000 0.000 -11.977) 11.977 6.845 ( -0.000 -0.000 2.642) 2.642 6.845 ( -0.000 -0.000 2.642) 2.642 8.815 ( -0.000 -0.000 7.577) 7.577 9.184 ( 0.000 0.000 -3.776) 3.776 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 5.181 2.991 10.963) 12.489 1.263 ( 13.005 7.508 12.448) 19.505 1.772 ( 0.317 0.183 12.582) 12.588 3.627 ( 1.127 0.651 -1.430) 1.934 3.721 ( 9.619 5.554 0.760) 11.134 5.584 ( 0.141 0.081 -3.747) 3.751 5.665 ( 4.881 2.818 -4.813) 7.411 6.145 ( 19.257 11.118 -11.888) 25.214 6.820 ( -1.999 -1.154 3.042) 3.818 6.860 ( -0.441 -0.254 1.261) 1.360 8.787 ( -4.556 -2.631 7.768) 9.382 9.101 ( -6.172 -3.564 -5.019) 8.717 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 9.739 5.623 7.336) 13.426 1.538 ( 3.328 1.922 17.499) 17.916 1.933 ( 15.710 9.070 -4.948) 18.803 3.658 ( 2.040 1.178 -1.377) 2.728 4.036 ( 15.975 9.223 3.015) 18.691 5.556 ( -1.362 -0.786 -2.904) 3.302 5.790 ( 7.328 4.231 -5.422) 10.050 6.626 ( 21.964 12.681 -9.692) 27.151 6.777 ( -2.536 -1.464 3.431) 4.511 6.837 ( -0.800 -0.462 0.171) 0.939 8.669 ( -7.562 -4.366 8.505) 12.189 8.871 ( -11.739 -6.777 -6.571) 15.064 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 11.790 6.807 4.201) 14.248 1.627 ( 2.830 1.634 9.043) 9.615 2.380 ( 21.569 12.453 -3.214) 25.112 3.711 ( 2.858 1.650 -1.228) 3.521 4.426 ( 16.001 9.238 2.394) 18.631 5.506 ( -2.252 -1.300 -1.735) 3.126 5.964 ( 9.270 5.352 -5.583) 12.073 6.732 ( -2.300 -1.328 3.765) 4.607 6.747 ( -2.542 -1.468 -0.244) 2.946 7.095 ( 15.751 9.094 -8.073) 19.899 8.527 ( -10.514 -6.070 5.228) 13.218 8.546 ( -9.574 -5.528 -2.152) 11.263 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 6.043 3.489 4.129) 8.108 1.877 ( 11.629 6.714 2.267) 13.618 2.849 ( 19.020 10.981 -1.542) 22.017 3.779 ( 3.286 1.897 -1.008) 3.926 4.760 ( 11.897 6.869 1.280) 13.797 5.437 ( -3.165 -1.827 -1.645) 4.007 6.173 ( 10.220 5.901 -5.156) 12.879 6.694 ( -1.427 -0.824 -0.448) 1.708 6.701 ( -1.486 -0.858 3.869) 4.232 7.296 ( 3.883 2.242 -7.784) 8.983 8.182 ( -13.928 -8.042 -2.821) 16.329 8.524 ( 1.859 1.074 8.208) 8.484 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 6.211 3.586 1.572) 7.342 2.133 ( 9.764 5.637 1.301) 11.349 3.218 ( 13.009 7.511 -2.720) 15.266 3.851 ( 3.079 1.777 -0.688) 3.621 4.941 ( 2.219 1.281 -0.660) 2.645 5.390 ( 1.065 0.615 0.468) 1.315 6.388 ( 9.284 5.360 -3.803) 11.375 6.691 ( -0.385 -0.222 3.184) 3.215 6.692 ( 1.713 0.989 -1.350) 2.395 7.267 ( -3.193 -1.843 -5.908) 6.964 7.901 ( -9.786 -5.650 1.627) 11.417 8.639 ( 4.994 2.883 4.749) 7.470 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 0.000 7.564 7.480) 10.637 1.264 ( 0.000 15.141 11.508) 19.018 1.837 ( -0.000 1.048 10.855) 10.906 3.612 ( 0.000 0.792 -0.915) 1.211 3.720 ( 0.000 10.320 0.572) 10.335 5.576 ( 0.000 1.998 -1.277) 2.371 5.602 ( 0.000 -0.768 -4.340) 4.407 6.126 ( 0.000 23.082 -10.767) 25.469 6.833 ( -0.000 -2.049 2.375) 3.136 6.864 ( -0.000 -0.466 1.165) 1.255 8.806 ( -0.000 -6.201 7.414) 9.665 9.104 ( 0.000 -4.529 -5.655) 7.245 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 3.301 10.690 5.616) 12.518 1.550 ( 7.285 9.814 14.422) 18.905 1.877 ( 1.343 9.210 -3.072) 9.801 3.645 ( 1.858 2.073 -0.946) 2.940 3.921 ( 8.919 12.637 2.569) 15.679 5.554 ( -1.045 -1.292 -2.350) 2.878 5.685 ( 6.908 3.559 -2.373) 8.125 6.457 ( 12.648 23.012 -8.413) 27.574 6.803 ( -1.448 -2.636 2.621) 3.989 6.851 ( -0.878 -0.872 0.147) 1.246 8.722 ( -3.309 -9.133 7.733) 12.416 8.961 ( -7.750 -5.973 -7.237) 12.170 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 6.644 11.518 3.583) 13.771 1.679 ( -0.393 3.745 9.621) 10.331 2.187 ( 16.018 18.670 -4.216) 24.958 3.702 ( 1.617 3.799 -0.945) 4.235 4.257 ( 14.065 10.809 1.955) 17.846 5.510 ( -1.257 -2.465 -1.283) 3.050 5.860 ( 8.061 6.802 -3.421) 11.088 6.751 ( -2.000 -3.340 2.405) 4.576 6.771 ( 0.875 2.092 -0.832) 2.415 6.932 ( 12.013 13.366 -5.109) 18.683 8.587 ( -3.769 -9.382 8.837) 13.428 8.685 ( -13.129 -6.656 -7.680) 16.603 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 3.935 5.100 3.822) 7.490 1.842 ( 6.259 13.787 3.397) 15.518 2.658 ( 17.679 16.207 -1.129) 24.010 3.770 ( 1.637 4.920 -0.864) 5.257 4.600 ( 13.900 7.242 0.214) 15.675 5.446 ( -2.129 -3.753 -1.269) 4.498 6.071 ( 8.471 9.036 -4.051) 13.031 6.689 ( -1.680 -3.315 1.070) 3.868 6.760 ( -1.783 1.356 1.524) 2.710 7.210 ( 7.411 6.298 -5.900) 11.375 8.341 ( -14.365 -7.635 -4.335) 16.835 8.518 ( 0.581 -4.208 8.304) 9.328 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 4.755 5.503 2.721) 7.766 2.103 ( 6.123 13.739 2.132) 15.192 3.077 ( 13.752 12.226 -1.034) 18.430 3.848 ( 1.476 5.649 -0.798) 5.892 4.861 ( 9.072 2.942 -0.277) 9.541 5.362 ( -0.976 -4.277 -1.881) 4.773 6.298 ( 8.194 9.740 -4.051) 13.357 6.647 ( 0.209 -2.398 0.031) 2.407 6.761 ( -1.648 3.741 2.040) 4.569 7.268 ( -0.644 -0.587 -4.880) 4.957 8.031 ( -11.711 -6.080 -0.787) 13.219 8.581 ( 5.286 -0.604 6.779) 8.617 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 0.000 10.976 1.910) 11.141 1.640 ( -0.000 8.881 12.467) 15.307 1.970 ( 0.000 15.739 -7.882) 17.603 3.636 ( 0.000 2.019 -0.158) 2.025 4.015 ( 0.000 16.824 3.842) 17.257 5.541 ( -0.000 -2.696 -1.806) 3.245 5.664 ( 0.000 6.573 1.945) 6.854 6.578 ( 0.000 25.236 -6.286) 26.007 6.793 ( -0.000 -3.408 2.568) 4.267 6.845 ( -0.000 -1.548 -0.654) 1.680 8.663 ( -0.000 -12.643 6.745) 14.330 8.943 ( 0.000 -6.216 -8.910) 10.864 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 4.588 12.058 0.625) 12.917 1.733 ( 1.204 3.108 5.046) 6.047 2.198 ( 6.040 24.081 -5.586) 25.448 3.693 ( 3.115 3.056 -0.181) 4.367 4.238 ( 4.339 16.256 3.624) 17.211 5.499 ( -0.992 -3.159 -0.119) 3.313 5.807 ( 5.943 8.556 1.561) 10.534 6.748 ( -0.831 -3.306 1.819) 3.864 6.791 ( -0.677 3.736 -1.693) 4.157 6.898 ( 6.884 14.071 -2.094) 15.804 8.538 ( -1.093 -13.609 6.705) 15.211 8.779 ( -7.743 -6.074 -9.727) 13.837 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 2.808 6.505 0.580) 7.109 1.888 ( 6.724 13.097 1.444) 14.793 2.580 ( 11.910 21.513 -1.626) 24.643 3.787 ( 2.957 4.904 -0.291) 5.734 4.493 ( 7.579 11.715 1.100) 13.996 5.438 ( -1.959 -4.406 0.321) 4.832 6.026 ( 7.473 10.724 -0.153) 13.071 6.689 ( -1.892 -3.747 1.193) 4.364 6.790 ( -0.080 1.067 -0.394) 1.140 7.152 ( 6.311 9.286 -1.912) 11.389 8.411 ( -2.410 -13.238 5.796) 14.651 8.534 ( -8.518 -2.592 -6.590) 11.077 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 3.997 6.482 1.223) 7.712 2.161 ( 6.572 15.746 1.294) 17.111 2.989 ( 12.455 16.739 -0.179) 20.865 3.889 ( 1.989 7.156 -0.295) 7.434 4.731 ( 8.988 6.303 -0.472) 10.988 5.339 ( -3.070 -6.202 -0.932) 6.983 6.266 ( 7.230 11.842 -1.606) 13.968 6.630 ( -1.091 -2.675 -0.052) 2.890 6.817 ( 0.403 3.563 0.864) 3.688 7.255 ( 0.733 0.997 -1.986) 2.340 8.161 ( -10.869 -8.631 -1.767) 13.991 8.500 ( 3.939 -1.445 4.277) 5.991 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 0.000 12.811 -1.423) 12.889 1.750 ( 0.000 2.623 -1.543) 3.044 2.383 ( 0.000 25.475 -4.355) 25.845 3.691 ( 0.000 3.221 0.622) 3.280 4.404 ( 0.000 18.275 4.257) 18.765 5.476 ( -0.000 -3.696 1.267) 3.907 5.857 ( 0.000 10.265 4.447) 11.187 6.728 ( -0.000 -3.526 1.981) 4.044 6.798 ( 0.000 -1.895 -2.499) 3.136 6.998 ( 0.000 16.743 0.626) 16.754 8.418 ( -0.000 -15.024 5.132) 15.876 8.753 ( 0.000 -5.275 -11.291) 12.462 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 1.155 6.520 -2.878) 7.220 1.871 ( 8.088 11.563 -2.137) 14.272 2.661 ( 4.742 23.384 -1.838) 23.931 3.763 ( 3.729 3.815 0.504) 5.358 4.588 ( -0.208 15.798 2.456) 15.989 5.429 ( -1.562 -4.411 2.103) 5.130 6.031 ( 5.122 11.534 3.815) 13.184 6.687 ( -1.499 -3.277 1.353) 3.849 6.780 ( 1.045 -0.539 -2.316) 2.597 7.168 ( 2.709 9.025 2.210) 9.679 8.292 ( 0.743 -14.510 4.839) 15.314 8.617 ( -5.930 -2.110 -10.638) 12.361 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 0.000 5.677 -5.220) 7.712 1.900 ( 0.000 12.943 -2.163) 13.122 2.845 ( 0.000 21.525 -0.725) 21.537 3.769 ( 0.000 3.886 0.963) 4.003 4.760 ( 0.000 14.200 1.377) 14.267 5.412 ( -0.000 -3.908 3.220) 5.064 6.119 ( 0.000 12.080 5.416) 13.239 6.683 ( -0.000 -1.849 1.763) 2.555 6.740 ( 0.000 -1.623 -3.836) 4.165 7.232 ( 0.000 4.654 4.589) 6.536 8.153 ( -0.000 -13.954 2.755) 14.224 8.621 ( 0.000 0.459 -10.516) 10.526 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -0.000 -0.000 8.188) 8.188 1.132 ( -0.000 -0.000 8.188) 8.188 1.904 ( -0.000 -0.000 15.004) 15.004 3.603 ( 0.000 0.000 -1.020) 1.020 3.603 ( 0.000 0.000 -1.020) 1.020 5.566 ( 0.000 0.000 -2.604) 2.604 5.566 ( 0.000 0.000 -2.604) 2.604 5.842 ( 0.000 0.000 -8.428) 8.428 6.867 ( -0.000 -0.000 1.705) 1.705 6.867 ( -0.000 -0.000 1.705) 1.705 8.887 ( -0.000 -0.000 6.476) 6.476 9.144 ( 0.000 0.000 -4.007) 4.007 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 4.632 2.674 6.888) 8.721 1.359 ( 15.065 8.698 6.360) 18.522 1.876 ( -5.333 -3.079 7.761) 9.907 3.614 ( 1.071 0.618 -1.053) 1.624 3.728 ( 10.732 6.196 0.518) 12.403 5.554 ( -0.088 -0.051 -1.995) 1.998 5.621 ( 4.313 2.490 -3.895) 6.322 6.052 ( 19.131 11.045 -6.268) 22.963 6.847 ( -1.674 -0.967 2.221) 2.945 6.869 ( -0.871 -0.503 0.346) 1.064 8.863 ( -3.999 -2.309 6.856) 8.266 9.049 ( -6.978 -4.029 -5.135) 9.555 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 8.865 5.118 4.763) 11.291 1.706 ( 0.305 0.176 14.834) 14.838 1.869 ( 16.584 9.575 -7.153) 20.442 3.646 ( 2.020 1.166 -1.046) 2.556 4.055 ( 16.178 9.340 0.535) 18.688 5.533 ( -1.141 -0.659 -1.407) 1.927 5.737 ( 6.987 4.034 -4.886) 9.432 6.555 ( 22.666 13.086 -4.244) 26.514 6.809 ( -2.229 -1.287 2.765) 3.778 6.832 ( -1.675 -0.967 -1.015) 2.184 8.758 ( -6.939 -4.006 8.913) 11.985 8.803 ( -12.040 -6.951 -6.721) 15.442 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 11.105 6.411 3.065) 13.184 1.709 ( 1.011 0.584 6.489) 6.594 2.361 ( 22.346 12.901 -0.034) 25.803 3.699 ( 2.877 1.661 -1.026) 3.477 4.432 ( 15.893 9.176 -1.141) 18.388 5.490 ( -2.327 -1.343 -1.499) 3.077 5.908 ( 9.209 5.317 -5.394) 11.923 6.742 ( -2.533 -1.462 -0.791) 3.030 6.768 ( -2.051 -1.184 3.332) 4.088 7.027 ( 15.148 8.746 -5.062) 18.210 8.474 ( -13.853 -7.998 -5.985) 17.079 8.640 ( -5.227 -3.018 10.956) 12.508 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 0.000 6.221 2.820) 6.830 1.356 ( 0.000 16.798 6.421) 17.983 1.915 ( -0.000 -5.082 4.379) 6.708 3.606 ( 0.000 0.959 -0.319) 1.010 3.726 ( 0.000 11.829 0.605) 11.844 5.564 ( 0.000 -0.466 -2.979) 3.015 5.572 ( 0.000 3.023 0.647) 3.092 6.044 ( 0.000 22.663 -5.353) 23.287 6.854 ( -0.000 -1.872 1.737) 2.554 6.870 ( -0.000 -0.965 0.007) 0.965 8.876 ( -0.000 -5.596 6.139) 8.307 9.046 ( -0.000 -6.238 -5.491) 8.311 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 4.223 9.059 1.973) 10.188 1.674 ( 11.234 15.786 8.736) 21.254 1.831 ( -3.064 -0.182 -4.827) 5.720 3.638 ( 1.551 2.283 -0.355) 2.783 3.940 ( 8.571 13.716 1.016) 16.206 5.537 ( -0.829 -1.071 -0.888) 1.619 5.668 ( 4.811 5.319 -0.888) 7.227 6.399 ( 13.160 23.250 -2.849) 26.868 6.826 ( -1.316 -2.625 1.694) 3.390 6.848 ( -0.923 -1.140 -0.690) 1.621 8.800 ( -2.637 -8.949 7.379) 11.895 8.886 ( -7.608 -7.410 -7.217) 12.840 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 7.096 10.441 1.620) 12.728 1.746 ( -0.908 1.296 2.858) 3.267 2.164 ( 17.780 18.990 0.392) 26.017 3.694 ( 1.405 4.005 -0.433) 4.267 4.262 ( 13.101 11.297 -1.033) 17.330 5.500 ( -1.518 -2.121 -0.516) 2.659 5.828 ( 6.358 8.266 -2.682) 10.767 6.758 ( -0.826 -0.247 -0.411) 0.954 6.777 ( 1.724 -0.135 1.359) 2.200 6.896 ( 9.685 12.593 -1.783) 15.987 8.609 ( -12.342 -7.324 -7.309) 16.105 8.681 ( -2.628 -9.677 9.536) 13.838 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 0.000 10.164 -1.525) 10.277 1.753 ( -0.000 2.439 8.688) 9.024 1.871 ( 0.000 18.020 -10.446) 20.829 3.638 ( 0.000 2.214 0.480) 2.265 4.047 ( 0.000 18.072 2.141) 18.198 5.529 ( -0.000 -1.663 -0.519) 1.742 5.693 ( 0.000 7.409 3.671) 8.269 6.539 ( 0.000 26.069 -1.198) 26.097 6.817 ( -0.000 -2.781 2.051) 3.455 6.832 ( -0.000 -2.094 -1.790) 2.755 8.732 ( -0.000 -13.234 6.898) 14.924 8.851 ( 0.000 -7.479 -9.188) 11.847 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -0.000 -0.000 2.804) 2.804 1.188 ( -0.000 -0.000 2.804) 2.804 2.008 ( -0.000 -0.000 5.229) 5.229 3.596 ( 0.000 0.000 -0.378) 0.378 3.596 ( 0.000 0.000 -0.378) 0.378 5.548 ( 0.000 0.000 -0.905) 0.905 5.548 ( 0.000 0.000 -0.905) 0.905 5.783 ( 0.000 0.000 -3.053) 3.053 6.879 ( -0.000 -0.000 0.588) 0.588 6.879 ( -0.000 -0.000 0.588) 0.588 8.939 ( -0.000 -0.000 3.144) 3.144 9.109 ( 0.000 0.000 -2.290) 2.290 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 4.729 2.730 2.137) 5.864 1.390 ( 15.523 8.962 -0.233) 17.926 1.926 ( -6.881 -3.973 2.025) 8.199 3.606 ( 0.967 0.558 -0.408) 1.188 3.730 ( 10.962 6.329 -0.103) 12.658 5.546 ( -0.275 -0.159 0.516) 0.606 5.588 ( 3.521 2.033 -2.444) 4.744 6.019 ( 19.346 11.170 -0.388) 22.342 6.864 ( -1.272 -0.734 1.160) 1.872 6.867 ( -1.278 -0.738 -0.743) 1.652 8.911 ( -3.280 -1.893 1.015) 3.921 9.012 ( -7.544 -4.356 -0.465) 8.724 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/40500 10.0 2063.391 2063.391 4015.721 -0.000 -0.000 0.000 3/40500 20.0 688.763 688.763 675.447 -0.000 -0.000 0.000 3/40500 30.0 268.786 268.786 218.563 -0.000 -0.000 0.000 3/40500 40.0 136.154 136.154 94.859 -0.000 -0.000 0.000 3/40500 50.0 82.238 82.238 51.443 0.000 -0.000 0.000 3/40500 60.0 55.806 55.806 32.611 0.000 -0.000 0.000 3/40500 70.0 41.136 41.136 23.017 0.000 -0.000 0.000 3/40500 80.0 32.195 32.195 17.506 0.000 -0.000 0.000 3/40500 90.0 26.328 26.328 14.040 0.000 -0.000 0.000 3/40500 100.0 22.244 22.244 11.701 0.000 -0.000 0.000 3/40500 110.0 19.261 19.261 10.034 0.000 -0.000 0.000 3/40500 120.0 16.997 16.997 8.792 0.000 -0.000 0.000 3/40500 130.0 15.224 15.224 7.832 0.000 -0.000 0.000 3/40500 140.0 13.798 13.798 7.070 0.000 -0.000 0.000 3/40500 150.0 12.627 12.627 6.450 0.000 -0.000 0.000 3/40500 160.0 11.648 11.648 5.935 0.000 -0.000 0.000 3/40500 170.0 10.816 10.816 5.500 0.000 -0.000 0.000 3/40500 180.0 10.100 10.100 5.128 0.000 -0.000 0.000 3/40500 190.0 9.477 9.477 4.806 0.000 -0.000 0.000 3/40500 200.0 8.930 8.930 4.524 0.000 -0.000 0.000 3/40500 210.0 8.445 8.445 4.274 0.000 -0.000 0.000 3/40500 220.0 8.013 8.013 4.052 0.000 -0.000 0.000 3/40500 230.0 7.624 7.624 3.853 0.000 -0.000 0.000 3/40500 240.0 7.272 7.272 3.674 0.000 -0.000 0.000 3/40500 250.0 6.953 6.953 3.511 0.000 -0.000 0.000 3/40500 260.0 6.662 6.662 3.362 0.000 -0.000 0.000 3/40500 270.0 6.394 6.394 3.226 0.000 -0.000 0.000 3/40500 280.0 6.148 6.148 3.101 0.000 -0.000 0.000 3/40500 290.0 5.921 5.921 2.986 0.000 -0.000 0.000 3/40500 300.0 5.710 5.710 2.879 0.000 -0.000 0.000 3/40500 310.0 5.515 5.515 2.780 0.000 -0.000 0.000 3/40500 320.0 5.332 5.332 2.687 0.000 -0.000 0.000 3/40500 330.0 5.162 5.162 2.601 0.000 -0.000 0.000 3/40500 340.0 5.002 5.002 2.520 0.000 -0.000 0.000 3/40500 350.0 4.852 4.852 2.445 0.000 -0.000 0.000 3/40500 360.0 4.712 4.712 2.373 0.000 -0.000 0.000 3/40500 370.0 4.579 4.579 2.306 0.000 -0.000 0.000 3/40500 380.0 4.453 4.453 2.243 0.000 -0.000 0.000 3/40500 390.0 4.335 4.335 2.183 0.000 -0.000 0.000 3/40500 400.0 4.222 4.222 2.126 0.000 -0.000 0.000 3/40500 410.0 4.116 4.116 2.072 0.000 -0.000 0.000 3/40500 420.0 4.015 4.015 2.021 0.000 -0.000 0.000 3/40500 430.0 3.918 3.918 1.973 0.000 -0.000 0.000 3/40500 440.0 3.827 3.827 1.926 0.000 -0.000 0.000 3/40500 450.0 3.739 3.739 1.882 0.000 -0.000 0.000 3/40500 460.0 3.656 3.656 1.840 0.000 -0.000 0.000 3/40500 470.0 3.576 3.576 1.800 0.000 -0.000 0.000 3/40500 480.0 3.500 3.500 1.762 0.000 -0.000 0.000 3/40500 490.0 3.426 3.426 1.725 0.000 -0.000 0.000 3/40500 500.0 3.356 3.356 1.689 0.000 -0.000 0.000 3/40500 510.0 3.289 3.289 1.655 0.000 -0.000 0.000 3/40500 520.0 3.225 3.225 1.623 0.000 -0.000 0.000 3/40500 530.0 3.163 3.163 1.592 0.000 -0.000 0.000 3/40500 540.0 3.103 3.103 1.562 0.000 -0.000 0.000 3/40500 550.0 3.045 3.045 1.533 0.000 -0.000 0.000 3/40500 560.0 2.990 2.990 1.505 0.000 -0.000 0.000 3/40500 570.0 2.937 2.937 1.478 0.000 -0.000 0.000 3/40500 580.0 2.885 2.885 1.452 0.000 -0.000 0.000 3/40500 590.0 2.836 2.836 1.427 0.000 -0.000 0.000 3/40500 600.0 2.788 2.788 1.403 0.000 -0.000 0.000 3/40500 610.0 2.741 2.741 1.379 0.000 -0.000 0.000 3/40500 620.0 2.696 2.696 1.357 0.000 -0.000 0.000 3/40500 630.0 2.653 2.653 1.335 0.000 -0.000 0.000 3/40500 640.0 2.611 2.611 1.314 0.000 -0.000 0.000 3/40500 650.0 2.570 2.570 1.293 0.000 -0.000 0.000 3/40500 660.0 2.531 2.531 1.273 0.000 -0.000 0.000 3/40500 670.0 2.493 2.493 1.254 0.000 -0.000 0.000 3/40500 680.0 2.456 2.456 1.236 0.000 -0.000 0.000 3/40500 690.0 2.420 2.420 1.217 0.000 -0.000 0.000 3/40500 700.0 2.385 2.385 1.200 0.000 -0.000 0.000 3/40500 710.0 2.351 2.351 1.183 0.000 -0.000 0.000 3/40500 720.0 2.318 2.318 1.166 0.000 -0.000 0.000 3/40500 730.0 2.286 2.286 1.150 0.000 -0.000 0.000 3/40500 740.0 2.254 2.254 1.134 0.000 -0.000 0.000 3/40500 750.0 2.224 2.224 1.119 0.000 -0.000 0.000 3/40500 760.0 2.195 2.195 1.104 0.000 -0.000 0.000 3/40500 770.0 2.166 2.166 1.090 0.000 -0.000 0.000 3/40500 780.0 2.138 2.138 1.076 0.000 -0.000 0.000 3/40500 790.0 2.111 2.111 1.062 0.000 -0.000 0.000 3/40500 800.0 2.084 2.084 1.048 0.000 -0.000 0.000 3/40500 810.0 2.058 2.058 1.035 0.000 -0.000 0.000 3/40500 820.0 2.033 2.033 1.023 0.000 -0.000 0.000 3/40500 830.0 2.008 2.008 1.010 0.000 -0.000 0.000 3/40500 840.0 1.984 1.984 0.998 0.000 -0.000 0.000 3/40500 850.0 1.960 1.960 0.986 0.000 -0.000 0.000 3/40500 860.0 1.938 1.938 0.975 0.000 -0.000 0.000 3/40500 870.0 1.915 1.915 0.964 0.000 -0.000 0.000 3/40500 880.0 1.893 1.893 0.952 0.000 -0.000 0.000 3/40500 890.0 1.872 1.872 0.942 0.000 -0.000 0.000 3/40500 900.0 1.851 1.851 0.931 0.000 -0.000 0.000 3/40500 910.0 1.830 1.830 0.921 0.000 -0.000 0.000 3/40500 920.0 1.810 1.810 0.911 0.000 -0.000 0.000 3/40500 930.0 1.791 1.791 0.901 0.000 -0.000 0.000 3/40500 940.0 1.772 1.772 0.891 0.000 -0.000 0.000 3/40500 950.0 1.753 1.753 0.882 0.000 -0.000 0.000 3/40500 960.0 1.735 1.735 0.873 0.000 -0.000 0.000 3/40500 970.0 1.717 1.717 0.864 0.000 -0.000 0.000 3/40500 980.0 1.699 1.699 0.855 0.000 -0.000 0.000 3/40500 990.0 1.682 1.682 0.846 0.000 -0.000 0.000 3/40500 1000.0 1.665 1.665 0.838 0.000 -0.000 0.000 3/40500 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:11:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|