----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:12:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.026362528589719 1.169920951357043 7.934341283333325 b -2.026362528589715 1.169920951357043 7.934341283333325 c 0.000000000000002 -2.339841902714090 7.934341283333325 Atomic positions (fractional): *1 S 0.77196672993649 0.77196672993649 0.77196672993649 32.065 2 S 0.22803327006351 0.22803327006351 0.22803327006351 32.065 *3 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 *4 Tb 0.50000000000000 0.50000000000000 0.50000000000000 158.925 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.052725057179435 0.000000000000000 0.000000000000000 b -2.026362528589718 3.509762854071133 0.000000000000000 c 0.000000000000000 0.000000000000000 23.803023849999999 Atomic positions (fractional): *1 S 0.66666666666667 0.33333333333333 0.10530006326982 32.065 > 1 2 S 0.00000000000000 0.00000000000000 0.22803327006351 32.065 > 2 3 S 0.33333333333333 0.66666666666667 0.43863339660316 32.065 > 1 4 S 0.66666666666667 0.33333333333333 0.56136660339684 32.065 > 2 5 S 0.00000000000000 0.00000000000000 0.77196672993649 32.065 > 1 6 S 0.33333333333333 0.66666666666667 0.89469993673018 32.065 > 2 *7 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 3 8 Cs 0.66666666666667 0.33333333333333 0.33333333333333 132.905 > 3 9 Cs 0.33333333333333 0.66666666666667 0.66666666666667 132.905 > 3 *10 Tb 0.33333333333333 0.66666666666667 0.16666666666667 158.925 > 4 11 Tb 0.00000000000000 0.00000000000000 0.50000000000000 158.925 > 4 12 Tb 0.66666666666667 0.33333333333333 0.83333333333333 158.925 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.158175171538305 0.000000000000000 0.000000000000000 b -6.079087585769154 10.529288562213399 0.000000000000000 c 0.000000000000000 0.000000000000000 23.803023849999999 Atomic positions (fractional): *1 S 0.22222222222222 0.11111111111111 0.10530006326982 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.10530006326982 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.10530006326982 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.10530006326982 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.10530006326982 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.10530006326982 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.10530006326982 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.10530006326982 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.10530006326982 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.22803327006351 32.065 > 2 11 S 0.33333333333333 0.00000000000000 0.22803327006351 32.065 > 2 12 S 0.66666666666667 0.00000000000000 0.22803327006351 32.065 > 2 13 S 0.00000000000000 0.33333333333333 0.22803327006351 32.065 > 2 14 S 0.33333333333333 0.33333333333333 0.22803327006351 32.065 > 2 15 S 0.66666666666667 0.33333333333333 0.22803327006351 32.065 > 2 16 S 0.00000000000000 0.66666666666667 0.22803327006351 32.065 > 2 17 S 0.33333333333333 0.66666666666667 0.22803327006351 32.065 > 2 18 S 0.66666666666667 0.66666666666667 0.22803327006351 32.065 > 2 19 S 0.11111111111111 0.22222222222222 0.43863339660316 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.43863339660316 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.43863339660316 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.43863339660316 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.43863339660316 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.43863339660316 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.43863339660316 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.43863339660316 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.43863339660316 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.56136660339684 32.065 > 2 29 S 0.55555555555556 0.11111111111111 0.56136660339684 32.065 > 2 30 S 0.88888888888889 0.11111111111111 0.56136660339684 32.065 > 2 31 S 0.22222222222222 0.44444444444444 0.56136660339684 32.065 > 2 32 S 0.55555555555556 0.44444444444444 0.56136660339684 32.065 > 2 33 S 0.88888888888889 0.44444444444444 0.56136660339684 32.065 > 2 34 S 0.22222222222222 0.77777777777778 0.56136660339684 32.065 > 2 35 S 0.55555555555556 0.77777777777778 0.56136660339684 32.065 > 2 36 S 0.88888888888889 0.77777777777778 0.56136660339684 32.065 > 2 37 S 0.00000000000000 0.00000000000000 0.77196672993649 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.77196672993649 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.77196672993649 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.77196672993649 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.77196672993649 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.77196672993649 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.77196672993649 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.77196672993649 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.77196672993649 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.89469993673018 32.065 > 2 47 S 0.44444444444444 0.22222222222222 0.89469993673018 32.065 > 2 48 S 0.77777777777778 0.22222222222222 0.89469993673018 32.065 > 2 49 S 0.11111111111111 0.55555555555556 0.89469993673018 32.065 > 2 50 S 0.44444444444444 0.55555555555556 0.89469993673018 32.065 > 2 51 S 0.77777777777778 0.55555555555556 0.89469993673018 32.065 > 2 52 S 0.11111111111111 0.88888888888889 0.89469993673018 32.065 > 2 53 S 0.44444444444444 0.88888888888889 0.89469993673018 32.065 > 2 54 S 0.77777777777778 0.88888888888889 0.89469993673018 32.065 > 2 *55 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 3 56 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 3 57 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 3 58 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 3 59 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 3 60 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 3 61 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 3 62 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 3 63 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 3 64 Cs 0.22222222222222 0.11111111111111 0.33333333333333 132.905 > 3 65 Cs 0.55555555555556 0.11111111111111 0.33333333333333 132.905 > 3 66 Cs 0.88888888888889 0.11111111111111 0.33333333333333 132.905 > 3 67 Cs 0.22222222222222 0.44444444444444 0.33333333333333 132.905 > 3 68 Cs 0.55555555555556 0.44444444444444 0.33333333333333 132.905 > 3 69 Cs 0.88888888888889 0.44444444444444 0.33333333333333 132.905 > 3 70 Cs 0.22222222222222 0.77777777777778 0.33333333333333 132.905 > 3 71 Cs 0.55555555555556 0.77777777777778 0.33333333333333 132.905 > 3 72 Cs 0.88888888888889 0.77777777777778 0.33333333333333 132.905 > 3 73 Cs 0.11111111111111 0.22222222222222 0.66666666666667 132.905 > 3 74 Cs 0.44444444444444 0.22222222222222 0.66666666666667 132.905 > 3 75 Cs 0.77777777777778 0.22222222222222 0.66666666666667 132.905 > 3 76 Cs 0.11111111111111 0.55555555555556 0.66666666666667 132.905 > 3 77 Cs 0.44444444444444 0.55555555555556 0.66666666666667 132.905 > 3 78 Cs 0.77777777777778 0.55555555555556 0.66666666666667 132.905 > 3 79 Cs 0.11111111111111 0.88888888888889 0.66666666666667 132.905 > 3 80 Cs 0.44444444444444 0.88888888888889 0.66666666666667 132.905 > 3 81 Cs 0.77777777777778 0.88888888888889 0.66666666666667 132.905 > 3 *82 Tb 0.11111111111111 0.22222222222222 0.16666666666667 158.925 > 4 83 Tb 0.44444444444444 0.22222222222222 0.16666666666667 158.925 > 4 84 Tb 0.77777777777778 0.22222222222222 0.16666666666667 158.925 > 4 85 Tb 0.11111111111111 0.55555555555556 0.16666666666667 158.925 > 4 86 Tb 0.44444444444444 0.55555555555556 0.16666666666667 158.925 > 4 87 Tb 0.77777777777778 0.55555555555556 0.16666666666667 158.925 > 4 88 Tb 0.11111111111111 0.88888888888889 0.16666666666667 158.925 > 4 89 Tb 0.44444444444444 0.88888888888889 0.16666666666667 158.925 > 4 90 Tb 0.77777777777778 0.88888888888889 0.16666666666667 158.925 > 4 91 Tb 0.00000000000000 0.00000000000000 0.50000000000000 158.925 > 4 92 Tb 0.33333333333333 0.00000000000000 0.50000000000000 158.925 > 4 93 Tb 0.66666666666667 0.00000000000000 0.50000000000000 158.925 > 4 94 Tb 0.00000000000000 0.33333333333333 0.50000000000000 158.925 > 4 95 Tb 0.33333333333333 0.33333333333333 0.50000000000000 158.925 > 4 96 Tb 0.66666666666667 0.33333333333333 0.50000000000000 158.925 > 4 97 Tb 0.00000000000000 0.66666666666667 0.50000000000000 158.925 > 4 98 Tb 0.33333333333333 0.66666666666667 0.50000000000000 158.925 > 4 99 Tb 0.66666666666667 0.66666666666667 0.50000000000000 158.925 > 4 100 Tb 0.22222222222222 0.11111111111111 0.83333333333333 158.925 > 4 101 Tb 0.55555555555556 0.11111111111111 0.83333333333333 158.925 > 4 102 Tb 0.88888888888889 0.11111111111111 0.83333333333333 158.925 > 4 103 Tb 0.22222222222222 0.44444444444444 0.83333333333333 158.925 > 4 104 Tb 0.55555555555556 0.44444444444444 0.83333333333333 158.925 > 4 105 Tb 0.88888888888889 0.44444444444444 0.83333333333333 158.925 > 4 106 Tb 0.22222222222222 0.77777777777778 0.83333333333333 158.925 > 4 107 Tb 0.55555555555556 0.77777777777778 0.83333333333333 158.925 > 4 108 Tb 0.88888888888889 0.77777777777778 0.83333333333333 158.925 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7002980 0.0000000 0.0000000 0.0000000 5.7002980 0.0000000 0.0000000 0.0000000 4.7873675 -------------------------- Born effective charges -------------------------- 1 S -2.8003371 -0.0000000 0.0000000 0.0000000 -2.8003371 0.0000000 0.0000000 0.0000000 -2.1264612 2 S -2.8003371 -0.0000000 0.0000000 0.0000000 -2.8003371 0.0000000 0.0000000 0.0000000 -2.1264612 3 Cs 1.1271866 0.0000000 0.0000000 0.0000000 1.1271866 0.0000000 0.0000000 0.0000000 2.2332730 4 Tb 4.4734877 0.0000000 0.0000000 0.0000000 4.4734877 0.0000000 0.0000000 0.0000000 2.0196495 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 80 / 80 - Time: 0.107 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.114 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:12:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:12:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.026362528589719 1.169920951357043 7.934341283333325 b -2.026362528589715 1.169920951357043 7.934341283333325 c 0.000000000000002 -2.339841902714090 7.934341283333325 Atomic positions (fractional): 1 S 0.77196672993649 0.77196672993649 0.77196672993649 32.065 2 S 0.22803327006351 0.22803327006351 0.22803327006351 32.065 3 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 4 Tb 0.50000000000000 0.50000000000000 0.50000000000000 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.158175171538305 0.000000000000000 0.000000000000000 b -6.079087585769154 10.529288562213399 0.000000000000000 c 0.000000000000000 0.000000000000000 23.803023849999999 Atomic positions (fractional): 1 S 0.22222222222222 0.11111111111111 0.10530006326982 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.10530006326982 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.10530006326982 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.10530006326982 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.10530006326982 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.10530006326982 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.10530006326982 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.10530006326982 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.10530006326982 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.22803327006351 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.22803327006351 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.22803327006351 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.22803327006351 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.22803327006351 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.22803327006351 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.22803327006351 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.22803327006351 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.22803327006351 32.065 > 10 19 S 0.11111111111111 0.22222222222222 0.43863339660316 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.43863339660316 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.43863339660316 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.43863339660316 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.43863339660316 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.43863339660316 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.43863339660316 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.43863339660316 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.43863339660316 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.56136660339684 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.56136660339684 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.56136660339684 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.56136660339684 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.56136660339684 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.56136660339684 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.56136660339684 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.56136660339684 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.56136660339684 32.065 > 10 37 S 0.00000000000000 0.00000000000000 0.77196672993649 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.77196672993649 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.77196672993649 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.77196672993649 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.77196672993649 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.77196672993649 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.77196672993649 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.77196672993649 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.77196672993649 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.89469993673018 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.89469993673018 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.89469993673018 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.89469993673018 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.89469993673018 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.89469993673018 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.89469993673018 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.89469993673018 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.89469993673018 32.065 > 10 55 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 55 56 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 55 57 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 55 58 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 55 59 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 55 60 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 55 61 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 55 62 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 55 63 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 55 64 Cs 0.22222222222222 0.11111111111111 0.33333333333333 132.905 > 55 65 Cs 0.55555555555556 0.11111111111111 0.33333333333333 132.905 > 55 66 Cs 0.88888888888889 0.11111111111111 0.33333333333333 132.905 > 55 67 Cs 0.22222222222222 0.44444444444444 0.33333333333333 132.905 > 55 68 Cs 0.55555555555556 0.44444444444444 0.33333333333333 132.905 > 55 69 Cs 0.88888888888889 0.44444444444444 0.33333333333333 132.905 > 55 70 Cs 0.22222222222222 0.77777777777778 0.33333333333333 132.905 > 55 71 Cs 0.55555555555556 0.77777777777778 0.33333333333333 132.905 > 55 72 Cs 0.88888888888889 0.77777777777778 0.33333333333333 132.905 > 55 73 Cs 0.11111111111111 0.22222222222222 0.66666666666667 132.905 > 55 74 Cs 0.44444444444444 0.22222222222222 0.66666666666667 132.905 > 55 75 Cs 0.77777777777778 0.22222222222222 0.66666666666667 132.905 > 55 76 Cs 0.11111111111111 0.55555555555556 0.66666666666667 132.905 > 55 77 Cs 0.44444444444444 0.55555555555556 0.66666666666667 132.905 > 55 78 Cs 0.77777777777778 0.55555555555556 0.66666666666667 132.905 > 55 79 Cs 0.11111111111111 0.88888888888889 0.66666666666667 132.905 > 55 80 Cs 0.44444444444444 0.88888888888889 0.66666666666667 132.905 > 55 81 Cs 0.77777777777778 0.88888888888889 0.66666666666667 132.905 > 55 82 Tb 0.11111111111111 0.22222222222222 0.16666666666667 158.925 > 82 83 Tb 0.44444444444444 0.22222222222222 0.16666666666667 158.925 > 82 84 Tb 0.77777777777778 0.22222222222222 0.16666666666667 158.925 > 82 85 Tb 0.11111111111111 0.55555555555556 0.16666666666667 158.925 > 82 86 Tb 0.44444444444444 0.55555555555556 0.16666666666667 158.925 > 82 87 Tb 0.77777777777778 0.55555555555556 0.16666666666667 158.925 > 82 88 Tb 0.11111111111111 0.88888888888889 0.16666666666667 158.925 > 82 89 Tb 0.44444444444444 0.88888888888889 0.16666666666667 158.925 > 82 90 Tb 0.77777777777778 0.88888888888889 0.16666666666667 158.925 > 82 91 Tb 0.00000000000000 0.00000000000000 0.50000000000000 158.925 > 82 92 Tb 0.33333333333333 0.00000000000000 0.50000000000000 158.925 > 82 93 Tb 0.66666666666667 0.00000000000000 0.50000000000000 158.925 > 82 94 Tb 0.00000000000000 0.33333333333333 0.50000000000000 158.925 > 82 95 Tb 0.33333333333333 0.33333333333333 0.50000000000000 158.925 > 82 96 Tb 0.66666666666667 0.33333333333333 0.50000000000000 158.925 > 82 97 Tb 0.00000000000000 0.66666666666667 0.50000000000000 158.925 > 82 98 Tb 0.33333333333333 0.66666666666667 0.50000000000000 158.925 > 82 99 Tb 0.66666666666667 0.66666666666667 0.50000000000000 158.925 > 82 100 Tb 0.22222222222222 0.11111111111111 0.83333333333333 158.925 > 82 101 Tb 0.55555555555556 0.11111111111111 0.83333333333333 158.925 > 82 102 Tb 0.88888888888889 0.11111111111111 0.83333333333333 158.925 > 82 103 Tb 0.22222222222222 0.44444444444444 0.83333333333333 158.925 > 82 104 Tb 0.55555555555556 0.44444444444444 0.83333333333333 158.925 > 82 105 Tb 0.88888888888889 0.44444444444444 0.83333333333333 158.925 > 82 106 Tb 0.22222222222222 0.77777777777778 0.83333333333333 158.925 > 82 107 Tb 0.55555555555556 0.77777777777778 0.83333333333333 158.925 > 82 108 Tb 0.88888888888889 0.77777777777778 0.83333333333333 158.925 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7002980 0.0000000 0.0000000 0.0000000 5.7002980 0.0000000 0.0000000 0.0000000 4.7873675 -------------------------- Born effective charges -------------------------- 1 S -2.8003371 -0.0000000 0.0000000 0.0000000 -2.8003371 0.0000000 0.0000000 0.0000000 -2.1264612 2 S -2.8003371 -0.0000000 0.0000000 0.0000000 -2.8003371 0.0000000 0.0000000 0.0000000 -2.1264612 3 Cs 1.1271866 0.0000000 0.0000000 0.0000000 1.1271866 0.0000000 0.0000000 0.0000000 2.2332730 4 Tb 4.4734877 0.0000000 0.0000000 0.0000000 4.4734877 0.0000000 0.0000000 0.0000000 2.0196495 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxz) -0.00000000 (xxz) -0.00000000 (xzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:12:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:12:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.026362528589719 1.169920951357043 7.934341283333325 b -2.026362528589715 1.169920951357043 7.934341283333325 c 0.000000000000002 -2.339841902714090 7.934341283333325 Atomic positions (fractional): 1 S 0.77196672993649 0.77196672993649 0.77196672993649 32.065 2 S 0.22803327006351 0.22803327006351 0.22803327006351 32.065 3 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 4 Tb 0.50000000000000 0.50000000000000 0.50000000000000 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.158175171538305 0.000000000000000 0.000000000000000 b -6.079087585769154 10.529288562213399 0.000000000000000 c 0.000000000000000 0.000000000000000 23.803023849999999 Atomic positions (fractional): 1 S 0.22222222222222 0.11111111111111 0.10530006326982 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.10530006326982 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.10530006326982 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.10530006326982 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.10530006326982 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.10530006326982 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.10530006326982 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.10530006326982 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.10530006326982 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.22803327006351 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.22803327006351 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.22803327006351 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.22803327006351 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.22803327006351 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.22803327006351 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.22803327006351 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.22803327006351 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.22803327006351 32.065 > 10 19 S 0.11111111111111 0.22222222222222 0.43863339660316 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.43863339660316 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.43863339660316 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.43863339660316 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.43863339660316 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.43863339660316 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.43863339660316 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.43863339660316 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.43863339660316 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.56136660339684 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.56136660339684 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.56136660339684 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.56136660339684 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.56136660339684 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.56136660339684 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.56136660339684 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.56136660339684 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.56136660339684 32.065 > 10 37 S 0.00000000000000 0.00000000000000 0.77196672993649 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.77196672993649 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.77196672993649 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.77196672993649 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.77196672993649 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.77196672993649 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.77196672993649 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.77196672993649 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.77196672993649 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.89469993673018 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.89469993673018 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.89469993673018 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.89469993673018 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.89469993673018 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.89469993673018 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.89469993673018 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.89469993673018 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.89469993673018 32.065 > 10 55 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 55 56 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 55 57 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 55 58 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 55 59 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 55 60 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 55 61 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 55 62 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 55 63 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 55 64 Cs 0.22222222222222 0.11111111111111 0.33333333333333 132.905 > 55 65 Cs 0.55555555555556 0.11111111111111 0.33333333333333 132.905 > 55 66 Cs 0.88888888888889 0.11111111111111 0.33333333333333 132.905 > 55 67 Cs 0.22222222222222 0.44444444444444 0.33333333333333 132.905 > 55 68 Cs 0.55555555555556 0.44444444444444 0.33333333333333 132.905 > 55 69 Cs 0.88888888888889 0.44444444444444 0.33333333333333 132.905 > 55 70 Cs 0.22222222222222 0.77777777777778 0.33333333333333 132.905 > 55 71 Cs 0.55555555555556 0.77777777777778 0.33333333333333 132.905 > 55 72 Cs 0.88888888888889 0.77777777777778 0.33333333333333 132.905 > 55 73 Cs 0.11111111111111 0.22222222222222 0.66666666666667 132.905 > 55 74 Cs 0.44444444444444 0.22222222222222 0.66666666666667 132.905 > 55 75 Cs 0.77777777777778 0.22222222222222 0.66666666666667 132.905 > 55 76 Cs 0.11111111111111 0.55555555555556 0.66666666666667 132.905 > 55 77 Cs 0.44444444444444 0.55555555555556 0.66666666666667 132.905 > 55 78 Cs 0.77777777777778 0.55555555555556 0.66666666666667 132.905 > 55 79 Cs 0.11111111111111 0.88888888888889 0.66666666666667 132.905 > 55 80 Cs 0.44444444444444 0.88888888888889 0.66666666666667 132.905 > 55 81 Cs 0.77777777777778 0.88888888888889 0.66666666666667 132.905 > 55 82 Tb 0.11111111111111 0.22222222222222 0.16666666666667 158.925 > 82 83 Tb 0.44444444444444 0.22222222222222 0.16666666666667 158.925 > 82 84 Tb 0.77777777777778 0.22222222222222 0.16666666666667 158.925 > 82 85 Tb 0.11111111111111 0.55555555555556 0.16666666666667 158.925 > 82 86 Tb 0.44444444444444 0.55555555555556 0.16666666666667 158.925 > 82 87 Tb 0.77777777777778 0.55555555555556 0.16666666666667 158.925 > 82 88 Tb 0.11111111111111 0.88888888888889 0.16666666666667 158.925 > 82 89 Tb 0.44444444444444 0.88888888888889 0.16666666666667 158.925 > 82 90 Tb 0.77777777777778 0.88888888888889 0.16666666666667 158.925 > 82 91 Tb 0.00000000000000 0.00000000000000 0.50000000000000 158.925 > 82 92 Tb 0.33333333333333 0.00000000000000 0.50000000000000 158.925 > 82 93 Tb 0.66666666666667 0.00000000000000 0.50000000000000 158.925 > 82 94 Tb 0.00000000000000 0.33333333333333 0.50000000000000 158.925 > 82 95 Tb 0.33333333333333 0.33333333333333 0.50000000000000 158.925 > 82 96 Tb 0.66666666666667 0.33333333333333 0.50000000000000 158.925 > 82 97 Tb 0.00000000000000 0.66666666666667 0.50000000000000 158.925 > 82 98 Tb 0.33333333333333 0.66666666666667 0.50000000000000 158.925 > 82 99 Tb 0.66666666666667 0.66666666666667 0.50000000000000 158.925 > 82 100 Tb 0.22222222222222 0.11111111111111 0.83333333333333 158.925 > 82 101 Tb 0.55555555555556 0.11111111111111 0.83333333333333 158.925 > 82 102 Tb 0.88888888888889 0.11111111111111 0.83333333333333 158.925 > 82 103 Tb 0.22222222222222 0.44444444444444 0.83333333333333 158.925 > 82 104 Tb 0.55555555555556 0.44444444444444 0.83333333333333 158.925 > 82 105 Tb 0.88888888888889 0.44444444444444 0.83333333333333 158.925 > 82 106 Tb 0.22222222222222 0.77777777777778 0.83333333333333 158.925 > 82 107 Tb 0.55555555555556 0.77777777777778 0.83333333333333 158.925 > 82 108 Tb 0.88888888888889 0.77777777777778 0.83333333333333 158.925 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.7002980 0.0000000 0.0000000 0.0000000 5.7002980 0.0000000 0.0000000 0.0000000 4.7873675 -------------------------- Born effective charges -------------------------- 1 S -2.8003371 -0.0000000 0.0000000 0.0000000 -2.8003371 0.0000000 0.0000000 0.0000000 -2.1264612 2 S -2.8003371 -0.0000000 0.0000000 0.0000000 -2.8003371 0.0000000 0.0000000 0.0000000 -2.1264612 3 Cs 1.1271866 0.0000000 0.0000000 0.0000000 1.1271866 0.0000000 0.0000000 0.0000000 2.2332730 4 Tb 4.4734877 0.0000000 0.0000000 0.0000000 4.4734877 0.0000000 0.0000000 0.0000000 2.0196495 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxz) -0.00000000 (xxz) -0.00000000 (xzx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 14 14 14 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.86, Number of G-points: 295, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/288) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.716 ( 0.000 0.000 0.000) 0.000 1.716 ( 0.000 0.000 0.000) 0.000 3.075 ( 0.000 0.000 0.000) 0.000 4.997 ( 0.000 0.000 0.000) 0.000 4.997 ( 0.000 0.000 0.000) 0.000 6.322 ( 0.000 0.000 0.000) 0.000 6.322 ( 0.000 0.000 0.000) 0.000 6.779 ( 0.000 0.000 0.000) 0.000 8.052 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/288) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( 17.403 10.047 -5.543) 20.845 0.412 ( 17.813 10.284 -3.944) 20.944 0.824 ( 31.832 18.378 13.724) 39.235 1.732 ( 1.309 0.756 0.576) 1.618 1.800 ( 7.075 4.085 -1.852) 8.376 3.062 ( -1.645 -0.950 1.387) 2.352 5.028 ( 2.599 1.501 0.260) 3.013 6.276 ( -3.708 -2.141 -0.069) 4.283 6.300 ( -1.798 -1.038 -0.040) 2.077 6.783 ( 4.644 2.681 -17.124) 17.944 7.927 ( -8.984 -5.187 2.957) 10.787 8.287 ( 1.663 0.960 -0.323) 1.947 ======================= Grid point 2 (3/288) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 16.303 9.413 -5.284) 19.552 0.807 ( 16.938 9.779 -5.807) 20.403 1.507 ( 20.748 11.979 11.151) 26.425 1.784 ( 2.974 1.717 1.188) 3.634 2.074 ( 18.185 10.499 -2.759) 21.178 3.014 ( -2.477 -1.430 -0.476) 2.899 5.120 ( 5.084 2.935 0.291) 5.878 6.161 ( -5.629 -3.250 -0.653) 6.533 6.244 ( -2.757 -1.592 -0.008) 3.183 6.852 ( 3.796 2.192 -5.685) 7.179 7.694 ( -11.183 -6.457 2.999) 13.257 8.284 ( -1.556 -0.898 -3.567) 3.994 ======================= Grid point 3 (4/288) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 13.052 7.535 -4.867) 15.837 1.166 ( 15.184 8.767 -7.659) 19.133 1.847 ( 8.349 4.820 4.185) 10.509 1.885 ( 5.465 3.155 1.667) 6.527 2.597 ( 22.576 13.034 -2.504) 26.188 2.965 ( -0.393 -0.227 3.265) 3.297 5.264 ( 6.942 4.008 0.017) 8.016 6.025 ( -5.241 -3.026 -1.814) 6.317 6.180 ( -2.425 -1.400 0.152) 2.804 6.911 ( 1.656 0.956 -0.139) 1.918 7.428 ( -12.020 -6.940 2.060) 14.031 8.204 ( -3.707 -2.140 -5.152) 6.699 ======================= Grid point 4 (5/288) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 8.021 4.631 -3.896) 10.048 1.473 ( 13.017 7.515 -8.462) 17.249 1.992 ( 4.014 2.318 0.384) 4.651 2.051 ( 7.925 4.576 1.522) 9.277 2.785 ( -2.640 -1.524 -0.760) 3.141 3.253 ( 19.203 11.087 4.551) 22.635 5.434 ( 7.227 4.172 -0.450) 8.357 5.924 ( -2.278 -1.315 -3.096) 4.062 6.140 ( -0.906 -0.523 0.443) 1.137 6.913 ( -2.339 -1.350 3.873) 4.721 7.147 ( -11.663 -6.733 -1.138) 13.515 8.104 ( -2.989 -1.726 -4.735) 5.859 ======================= Grid point 5 (6/288) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 4.059 2.344 -2.499) 5.312 1.730 ( 10.957 6.326 -7.630) 14.774 2.060 ( 2.314 1.336 -1.260) 2.954 2.243 ( 7.602 4.389 0.902) 8.824 2.673 ( -6.761 -3.904 4.084) 8.811 3.658 ( 13.657 7.885 1.501) 15.840 5.583 ( 5.363 3.096 -0.795) 6.244 5.912 ( 2.266 1.308 -3.739) 4.564 6.144 ( 0.997 0.576 0.680) 1.337 6.769 ( -11.838 -6.835 5.552) 14.754 6.939 ( -4.165 -2.405 -4.062) 6.295 8.048 ( -0.854 -0.493 -2.684) 2.860 ======================= Grid point 6 (7/288) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 1.699 0.981 -1.188) 2.293 1.932 ( 7.115 4.108 -4.395) 9.317 2.117 ( 3.929 2.268 -3.109) 5.500 2.391 ( 4.446 2.567 0.377) 5.147 2.502 ( -8.758 -5.057 5.778) 11.648 3.896 ( 6.506 3.756 0.198) 7.515 5.674 ( 2.505 1.446 -0.618) 2.958 6.007 ( 6.553 3.783 -3.286) 8.249 6.180 ( 1.513 0.874 0.517) 1.822 6.479 ( -12.613 -7.282 2.294) 14.743 6.869 ( -1.689 -0.975 -1.262) 2.323 8.038 ( 0.200 0.116 -0.914) 0.943 ======================= Grid point 7 (8/288) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 0.000 0.000 0.000) 0.000 2.005 ( 0.000 0.000 0.000) 0.000 2.215 ( -0.000 -0.000 0.000) 0.000 2.353 ( 0.000 0.000 -0.000) 0.000 2.445 ( 0.000 0.000 0.000) 0.000 3.971 ( 0.000 0.000 0.000) 0.000 5.701 ( 0.000 0.000 0.000) 0.000 6.160 ( -0.000 -0.000 0.000) 0.000 6.201 ( 0.000 0.000 0.000) 0.000 6.252 ( 0.000 0.000 -0.000) 0.000 6.847 ( 0.000 0.000 0.000) 0.000 8.041 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 16 (9/288) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( -0.000 19.499 13.395) 23.657 0.499 ( -0.000 21.040 11.005) 23.744 0.772 ( -0.000 34.857 4.790) 35.185 1.718 ( 0.000 0.984 -2.460) 2.650 1.808 ( 0.000 8.742 -0.108) 8.743 3.068 ( -0.000 -3.179 2.477) 4.030 5.028 ( -0.000 2.986 0.260) 2.997 6.272 ( 0.000 -4.152 -1.171) 4.314 6.299 ( 0.000 -2.115 -0.284) 2.134 6.702 ( 0.000 11.761 -31.679) 33.792 7.938 ( -0.000 -10.663 4.639) 11.628 8.297 ( -0.000 1.507 1.472) 2.107 ======================= Grid point 17 (10/288) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 2.096 16.503 10.608) 19.730 0.857 ( 5.956 23.190 -2.084) 24.033 1.335 ( 19.063 20.815 10.996) 30.291 1.751 ( 2.883 1.780 -2.121) 3.997 1.977 ( 7.007 15.089 -1.490) 16.703 3.023 ( -1.380 -2.869 -1.327) 3.449 5.090 ( 2.605 4.435 0.480) 5.166 6.196 ( -2.959 -5.106 -0.738) 5.947 6.259 ( -1.311 -2.523 -0.313) 2.860 6.775 ( 4.562 5.339 -15.052) 16.609 7.776 ( -6.336 -11.090 4.582) 13.570 8.296 ( -1.445 0.099 -1.982) 2.455 ======================= Grid point 18 (11/288) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 9.807 11.319 3.482) 15.376 1.172 ( 5.808 20.066 -5.290) 21.549 1.758 ( 9.789 6.858 5.663) 13.226 1.845 ( 4.671 4.490 0.254) 6.484 2.395 ( 17.990 21.023 -1.388) 27.705 2.968 ( -0.759 -2.526 -0.425) 2.672 5.211 ( 4.839 5.844 0.497) 7.604 6.071 ( -4.695 -4.647 -1.303) 6.733 6.207 ( -1.870 -1.603 -0.170) 2.469 6.859 ( 4.264 1.596 -6.206) 7.696 7.540 ( -9.193 -10.428 4.009) 14.469 8.230 ( -3.631 -2.059 -4.172) 5.902 ======================= Grid point 19 (12/288) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 10.262 7.130 -0.619) 12.511 1.432 ( 5.178 15.389 -6.348) 17.433 1.934 ( 5.463 2.548 0.274) 6.034 2.003 ( 5.533 7.455 1.837) 9.464 2.779 ( 3.253 3.888 -4.626) 6.862 3.083 ( 14.552 11.153 6.094) 19.320 5.375 ( 5.923 6.939 0.207) 9.126 5.948 ( -3.692 -3.032 -2.340) 5.320 6.167 ( -1.681 0.297 -0.044) 1.708 6.908 ( 2.031 -0.955 -1.654) 2.788 7.269 ( -10.960 -9.719 2.592) 14.877 8.120 ( -3.654 -3.026 -4.711) 6.686 ======================= Grid point 20 (13/288) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 6.745 4.492 -1.769) 8.295 1.640 ( 5.999 10.892 -6.538) 14.049 2.020 ( 3.042 0.774 -1.064) 3.315 2.197 ( 5.946 8.806 1.312) 10.706 2.747 ( -3.765 -2.066 1.160) 4.448 3.508 ( 14.731 11.285 2.618) 18.741 5.546 ( 4.903 7.203 -0.291) 8.719 5.884 ( -0.055 -0.659 -3.067) 3.138 6.159 ( -0.672 2.174 0.133) 2.279 6.893 ( -3.016 -2.490 3.048) 4.959 6.979 ( -10.092 -8.474 -2.273) 13.372 8.034 ( -1.007 -2.832 -3.235) 4.416 ======================= Grid point 21 (14/288) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 2.547 3.495 -1.374) 4.537 1.833 ( 7.360 6.844 -5.559) 11.485 2.068 ( 2.676 0.374 -1.771) 3.231 2.369 ( 3.438 6.176 1.446) 7.215 2.639 ( -7.279 -0.378 3.375) 8.033 3.809 ( 8.859 5.902 0.899) 10.683 5.678 ( 1.976 6.586 -0.639) 6.906 5.920 ( 4.611 1.376 -2.907) 5.622 6.185 ( 0.333 3.013 0.157) 3.035 6.651 ( -13.531 -6.619 2.336) 15.243 6.871 ( -0.834 -2.197 -2.070) 3.131 8.006 ( 1.376 -2.531 -1.249) 3.140 ======================= Grid point 22 (15/288) ======================= q-point: ( 0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -0.052 2.701 -0.608) 2.769 1.972 ( 3.812 1.479 -2.148) 4.618 2.136 ( 5.345 1.322 -3.687) 6.626 2.399 ( -3.347 -2.909 3.695) 5.772 2.558 ( -6.142 8.892 0.836) 10.839 3.951 ( 3.106 1.289 0.497) 3.399 5.744 ( -1.218 5.568 -0.435) 5.716 6.038 ( 7.228 0.173 -1.665) 7.419 6.226 ( 0.855 3.864 -0.582) 4.000 6.379 ( -11.359 -3.317 1.975) 11.997 6.843 ( -0.126 -0.835 -0.740) 1.123 8.010 ( 1.886 -2.638 -0.059) 3.244 ======================= Grid point 23 (16/288) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -1.859 1.542 0.334) 2.438 1.986 ( -1.494 -1.951 0.861) 2.604 2.164 ( -2.493 -4.127 1.906) 5.185 2.369 ( 3.094 1.313 -2.552) 4.221 2.550 ( -5.874 9.579 -0.874) 11.271 3.951 ( -2.845 -2.103 0.543) 3.579 5.747 ( -3.944 3.937 0.139) 5.574 6.052 ( -2.482 -6.089 1.380) 6.718 6.234 ( -4.792 1.380 1.206) 5.130 6.362 ( 8.483 8.072 -1.913) 11.865 6.847 ( 1.295 -0.099 0.243) 1.322 8.013 ( 1.586 -2.788 0.736) 3.291 ======================= Grid point 24 (17/288) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -3.741 -0.568 1.471) 4.060 1.879 ( -7.949 -3.238 4.706) 9.789 2.085 ( -2.183 -2.430 2.000) 3.830 2.356 ( -6.177 -0.434 -1.496) 6.370 2.605 ( 3.249 7.310 -4.202) 9.036 3.804 ( -10.144 -4.894 -0.094) 11.263 5.683 ( -6.585 1.454 0.571) 6.768 5.947 ( -2.980 -3.621 3.070) 5.605 6.185 ( -3.269 1.612 0.138) 3.647 6.623 ( 11.493 8.099 -3.777) 14.559 6.890 ( 3.434 -0.032 1.935) 3.942 8.021 ( 2.049 -2.168 1.980) 3.580 ======================= Grid point 25 (18/288) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -6.646 -4.325 2.969) 8.467 1.700 ( -11.620 -0.715 6.589) 13.377 2.028 ( -2.729 -2.294 0.597) 3.615 2.185 ( -10.659 -0.982 -1.353) 10.789 2.731 ( 5.184 3.530 -2.421) 6.723 3.487 ( -18.389 -7.373 -1.838) 19.897 5.550 ( -8.742 -0.972 0.488) 8.810 5.912 ( 0.602 -0.737 3.074) 3.218 6.157 ( -1.725 2.029 -0.181) 2.670 6.846 ( 6.142 4.069 -6.532) 9.846 7.010 ( 9.656 2.046 3.704) 10.542 8.065 ( 3.722 -0.449 3.561) 5.171 ======================= Grid point 26 (19/288) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -11.115 -7.760 3.934) 14.115 1.492 ( -15.537 2.157 6.859) 17.121 1.924 ( -6.112 -3.365 -1.747) 7.193 1.986 ( -9.336 -1.123 -1.757) 9.566 2.820 ( -1.606 0.760 4.187) 4.549 3.026 ( -19.487 -7.481 -6.317) 21.808 5.375 ( -9.053 -1.960 0.152) 9.264 5.967 ( 4.202 1.197 1.993) 4.802 6.167 ( 0.554 1.817 -0.174) 1.908 6.903 ( 1.109 -0.144 -2.888) 3.097 7.257 ( 12.865 3.616 0.020) 13.364 8.160 ( 4.905 1.042 3.962) 6.391 ======================= Grid point 27 (20/288) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -15.136 -7.408 2.942) 17.107 1.224 ( -20.172 2.965 5.798) 21.197 1.708 ( -13.878 -4.620 -4.637) 15.345 1.840 ( -5.657 -0.673 -1.073) 5.797 2.407 ( -27.364 -5.413 1.005) 27.912 2.966 ( 4.027 0.436 -0.739) 4.117 5.208 ( -7.535 -1.404 -0.064) 7.665 6.080 ( 6.148 1.396 0.707) 6.344 6.208 ( 2.353 0.943 -0.087) 2.537 6.888 ( -1.351 -0.859 -0.068) 1.603 7.517 ( 12.997 2.497 -0.907) 13.266 8.260 ( 3.634 0.906 2.436) 4.468 ======================= Grid point 28 (21/288) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( -16.932 -0.000 0.000) 16.932 0.870 ( -23.220 -0.000 0.000) 23.220 1.282 ( -29.424 -0.000 0.000) 29.424 1.761 ( -2.912 -0.000 0.000) 2.912 1.984 ( -16.446 -0.000 0.000) 16.446 3.029 ( 2.720 0.000 -0.000) 2.720 5.088 ( -5.150 -0.000 0.000) 5.150 6.199 ( 5.937 0.000 -0.000) 5.937 6.260 ( 2.866 0.000 -0.000) 2.866 6.847 ( -2.604 -0.000 0.000) 2.604 7.753 ( 12.216 0.000 -0.000) 12.216 8.305 ( 0.379 0.000 -0.000) 0.379 ======================= Grid point 31 (22/288) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -0.000 17.670 11.989) 21.353 0.980 ( -0.000 20.097 8.840) 21.955 1.419 ( -0.000 24.237 4.574) 24.664 1.730 ( 0.000 2.567 -4.768) 5.415 2.097 ( 0.000 20.644 -0.280) 20.646 2.993 ( 0.000 -4.088 -2.740) 4.921 5.122 ( -0.000 5.995 0.528) 6.018 6.160 ( 0.000 -5.684 -0.708) 5.728 6.239 ( 0.000 -3.312 -0.541) 3.356 6.746 ( 0.000 5.753 -15.045) 16.108 7.717 ( -0.000 -13.249 4.465) 13.981 8.308 ( 0.000 -0.614 -1.199) 1.347 ======================= Grid point 32 (23/288) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -4.122 16.628 11.754) 20.776 1.283 ( 4.311 18.725 0.328) 19.218 1.707 ( 6.216 10.185 3.889) 12.550 1.802 ( 5.513 6.088 -2.243) 8.514 2.405 ( 7.931 26.067 -1.227) 27.275 2.936 ( -0.114 -4.156 -2.416) 4.809 5.215 ( 2.575 7.368 0.752) 7.841 6.081 ( -2.466 -5.296 -0.641) 5.877 6.202 ( -0.116 -2.597 -0.478) 2.643 6.782 ( 3.188 2.164 -10.175) 10.880 7.553 ( -4.448 -12.931 4.125) 14.283 8.263 ( -3.060 -2.046 -2.207) 4.292 ======================= Grid point 33 (24/288) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 0.929 12.702 7.001) 14.533 1.511 ( 2.614 15.528 -3.709) 16.178 1.866 ( 5.270 4.017 -1.031) 6.706 1.994 ( 5.925 8.580 2.149) 10.646 2.755 ( 3.869 8.096 -6.973) 11.364 2.997 ( 10.037 11.354 5.501) 16.122 5.364 ( 4.603 8.659 0.975) 9.855 5.973 ( -3.660 -3.792 -1.429) 5.460 6.185 ( 0.022 -0.285 -0.495) 0.571 6.826 ( 3.887 -1.466 -6.112) 7.390 7.334 ( -7.363 -11.673 3.820) 14.320 8.153 ( -4.940 -3.185 -3.286) 6.733 ======================= Grid point 34 (25/288) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 3.378 8.829 2.914) 9.892 1.675 ( 2.020 11.574 -4.668) 12.643 1.966 ( 3.462 1.164 -1.435) 3.924 2.202 ( 5.786 10.462 1.794) 12.089 2.766 ( -0.258 -1.204 -1.776) 2.161 3.400 ( 13.052 14.974 2.822) 20.063 5.547 ( 4.912 9.359 0.882) 10.607 5.885 ( -2.145 -1.577 -2.112) 3.398 6.194 ( -0.092 2.484 -0.869) 2.633 6.844 ( 2.855 -3.674 -4.236) 6.292 7.084 ( -9.823 -9.668 3.574) 14.238 8.027 ( -3.565 -3.694 -3.175) 6.036 ======================= Grid point 35 (26/288) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 2.791 6.625 0.886) 7.243 1.804 ( 3.059 8.082 -4.125) 9.576 2.015 ( 2.622 -0.344 -1.644) 3.114 2.386 ( 3.173 6.647 2.438) 7.759 2.751 ( -2.203 3.733 0.684) 4.388 3.720 ( 9.106 8.008 1.025) 12.170 5.715 ( 3.009 8.719 0.407) 9.232 5.867 ( 1.581 0.736 -2.052) 2.693 6.223 ( -0.225 4.017 -1.299) 4.228 6.793 ( -6.838 -7.550 -2.830) 10.572 6.856 ( -3.449 -2.701 2.573) 5.081 7.949 ( 0.078 -4.031 -1.849) 4.436 ======================= Grid point 36 (27/288) ======================= q-point: ( 0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 0.157 5.414 0.037) 5.417 1.919 ( 3.627 3.635 -2.507) 5.714 2.058 ( 3.555 -0.102 -2.137) 4.149 2.431 ( -1.626 -1.514 3.435) 4.091 2.779 ( -4.882 12.922 0.148) 13.814 3.894 ( 5.076 1.665 0.522) 5.367 5.826 ( 0.277 7.303 0.101) 7.309 5.933 ( 4.537 1.168 -1.368) 4.881 6.256 ( 0.080 3.739 -1.768) 4.137 6.551 ( -11.001 -3.346 1.376) 11.581 6.832 ( 0.129 -0.761 -0.675) 1.025 7.929 ( 2.593 -4.512 -0.519) 5.230 ======================= Grid point 37 (28/288) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -2.200 4.152 0.102) 4.700 1.970 ( 1.176 -0.629 -0.568) 1.450 2.115 ( 3.139 -1.734 -2.144) 4.178 2.374 ( -2.248 -0.927 1.816) 3.035 2.806 ( -8.434 14.299 -0.390) 16.605 3.948 ( 1.239 -2.116 0.786) 2.575 5.868 ( -3.259 5.721 0.118) 6.585 5.998 ( 2.492 -2.816 0.014) 3.760 6.305 ( 2.232 2.230 -1.954) 3.711 6.391 ( -6.519 5.080 2.002) 8.504 6.831 ( 0.316 -0.028 -0.494) 0.587 7.933 ( 3.128 -4.761 0.380) 5.710 ======================= Grid point 38 (29/288) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -4.348 1.974 0.588) 4.811 1.950 ( -2.240 -1.757 1.016) 3.023 2.092 ( -1.101 -3.590 0.943) 3.871 2.376 ( 1.115 0.773 -2.017) 2.431 2.768 ( -9.793 11.135 -1.024) 14.864 3.896 ( -4.446 -3.531 0.732) 5.725 5.829 ( -6.171 3.024 0.443) 6.887 5.958 ( -2.087 -3.709 1.287) 4.447 6.286 ( -4.309 2.758 1.310) 5.281 6.516 ( 8.205 8.208 -2.335) 11.838 6.842 ( 1.629 -0.859 0.316) 1.868 7.946 ( 3.325 -4.058 1.230) 5.388 ======================= Grid point 39 (30/288) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -6.744 -1.019 1.269) 6.938 1.867 ( -6.173 -0.331 2.705) 6.748 2.045 ( -1.471 -2.223 1.086) 2.878 2.345 ( -5.942 0.159 -1.595) 6.154 2.726 ( -2.767 5.730 -1.935) 6.651 3.710 ( -12.827 -3.917 -0.076) 13.412 5.715 ( -9.190 0.952 0.402) 9.248 5.904 ( -0.538 -1.994 1.773) 2.722 6.242 ( -4.418 3.115 0.718) 5.453 6.748 ( 9.101 6.621 -5.244) 12.416 6.884 ( 5.245 -2.166 3.026) 6.431 7.986 ( 4.535 -2.123 2.008) 5.395 ======================= Grid point 40 (31/288) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -9.829 -2.347 1.474) 10.212 1.745 ( -9.456 1.212 2.763) 9.926 1.984 ( -3.812 -1.669 -0.111) 4.162 2.173 ( -11.870 0.088 -0.760) 11.895 2.779 ( 4.145 1.725 -0.556) 4.524 3.362 ( -21.947 -3.375 -0.972) 22.226 5.539 ( -10.597 -0.316 0.128) 10.602 5.916 ( 2.564 -0.189 1.167) 2.823 6.203 ( -2.637 1.680 0.158) 3.131 6.864 ( 2.512 0.888 -2.799) 3.864 7.056 ( 12.574 0.868 1.155) 12.656 8.075 ( 5.960 -0.235 1.782) 6.225 ======================= Grid point 41 (32/288) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -13.576 -0.000 0.000) 13.576 1.553 ( -14.319 -0.000 0.000) 14.319 1.871 ( -7.949 -0.000 0.000) 7.949 1.972 ( -9.877 -0.000 0.000) 9.877 2.879 ( 5.507 0.000 -0.000) 5.507 2.888 ( -28.362 -0.000 0.000) 28.362 5.355 ( -9.724 -0.000 0.000) 9.724 5.987 ( 5.021 0.000 -0.000) 5.021 6.189 ( 0.136 0.000 -0.000) 0.136 6.889 ( 0.620 0.000 -0.000) 0.620 7.294 ( 13.315 0.000 -0.000) 13.315 8.184 ( 5.714 0.000 -0.000) 5.714 ======================= Grid point 46 (33/288) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -0.000 11.620 8.646) 14.484 1.407 ( -0.000 17.090 5.613) 17.988 1.788 ( 0.000 7.062 -5.255) 8.803 1.796 ( -0.000 11.666 3.585) 12.205 2.607 ( 0.000 26.091 -3.655) 26.345 2.885 ( 0.000 -3.131 -0.774) 3.225 5.274 ( -0.000 8.296 0.636) 8.320 6.052 ( -0.000 -4.335 0.095) 4.336 6.168 ( 0.000 -2.970 -0.623) 3.035 6.739 ( 0.000 0.686 -9.767) 9.791 7.466 ( -0.000 -13.488 3.353) 13.898 8.264 ( 0.000 -2.618 -1.391) 2.965 ======================= Grid point 47 (34/288) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -3.257 9.214 6.657) 11.824 1.612 ( 2.258 13.393 0.655) 13.598 1.857 ( 1.023 7.784 -2.151) 8.140 1.980 ( 6.124 9.075 1.646) 11.071 2.738 ( 0.850 -0.889 -8.163) 8.255 3.030 ( 5.950 21.499 5.115) 22.886 5.390 ( 3.009 8.990 0.814) 9.515 5.991 ( -2.579 -2.866 -0.384) 3.875 6.157 ( 1.613 -1.312 -0.475) 2.133 6.728 ( 2.346 -2.194 -7.455) 8.117 7.312 ( -3.182 -12.591 2.803) 13.285 8.196 ( -3.811 -3.078 -1.687) 5.181 ======================= Grid point 48 (35/288) ======================= q-point: ( 0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -0.284 7.613 4.280) 8.738 1.755 ( 0.766 10.341 -2.360) 10.634 1.933 ( 1.506 3.125 -1.740) 3.881 2.203 ( 6.862 10.461 1.699) 12.626 2.716 ( 2.453 -3.242 -3.126) 5.129 3.391 ( 8.126 19.086 2.563) 20.902 5.561 ( 4.966 9.544 1.230) 10.829 5.914 ( -3.191 -1.009 -1.196) 3.554 6.191 ( 2.268 1.338 -1.097) 2.853 6.726 ( 3.428 -4.697 -5.245) 7.831 7.124 ( -5.386 -10.573 2.653) 12.159 8.069 ( -5.718 -3.188 -2.128) 6.884 ======================= Grid point 49 (36/288) ======================= q-point: ( 0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 1.787 7.077 2.943) 7.870 1.846 ( 0.473 7.512 -2.945) 8.083 1.968 ( 1.605 -0.008 -1.796) 2.408 2.398 ( 3.482 5.571 2.819) 7.149 2.773 ( 4.855 4.284 -0.670) 6.509 3.679 ( 6.119 10.888 0.852) 12.519 5.745 ( 4.100 8.793 1.297) 9.788 5.868 ( -1.106 1.212 -1.232) 2.051 6.245 ( 1.475 2.901 -2.563) 4.142 6.721 ( 3.112 -5.145 -3.541) 6.978 6.934 ( -6.475 -6.991 2.841) 9.943 7.938 ( -4.181 -3.408 -1.992) 5.750 ======================= Grid point 50 (37/288) ======================= q-point: ( 0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 0.940 6.793 1.658) 7.055 1.913 ( 1.007 4.131 -1.520) 4.515 1.992 ( 2.605 -0.800 -1.700) 3.212 2.445 ( -0.536 -1.286 3.046) 3.349 2.948 ( 2.719 13.965 -0.131) 14.228 3.829 ( 3.544 2.128 0.045) 4.134 5.859 ( 1.852 3.833 0.355) 4.272 5.914 ( 1.646 5.248 -0.078) 5.501 6.272 ( 0.250 0.998 -3.611) 3.754 6.678 ( -4.492 -1.608 -0.327) 4.782 6.821 ( -0.604 -1.841 1.257) 2.310 7.852 ( -0.391 -4.373 -1.260) 4.568 ======================= Grid point 51 (38/288) ======================= q-point: ( 0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -1.800 6.082 0.689) 6.381 1.947 ( 0.764 0.292 -0.473) 0.945 2.035 ( 3.357 -1.371 -1.553) 3.944 2.407 ( -2.048 -1.653 2.034) 3.326 3.095 ( -4.989 16.819 -0.282) 17.545 3.872 ( 3.295 -4.187 0.338) 5.338 5.936 ( 2.966 1.129 0.587) 3.227 5.963 ( -1.535 4.122 0.020) 4.398 6.267 ( 1.524 -1.630 -2.960) 3.707 6.585 ( -7.135 5.693 1.802) 9.305 6.828 ( 0.457 0.387 -0.500) 0.780 7.824 ( 2.782 -5.254 -0.324) 5.954 ======================= Grid point 52 (39/288) ======================= q-point: (-0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -4.695 4.020 0.495) 6.200 1.951 ( 0.178 -0.759 -0.087) 0.784 2.050 ( 1.566 -3.309 -0.865) 3.761 2.377 ( -0.750 0.265 0.297) 0.849 3.091 ( -12.230 12.568 -0.531) 17.544 3.879 ( 2.172 -4.623 0.745) 5.162 5.920 ( -2.446 -1.235 -0.126) 2.743 5.984 ( -2.223 1.954 1.129) 3.167 6.301 ( 4.152 -0.544 -1.105) 4.331 6.570 ( -3.755 9.519 1.102) 10.293 6.821 ( -0.447 -1.167 -0.925) 1.555 7.836 ( 4.160 -4.440 0.459) 6.102 ======================= Grid point 53 (40/288) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -6.989 0.870 0.360) 7.052 1.934 ( -1.751 -0.280 0.361) 1.809 2.037 ( 0.352 -1.829 0.240) 1.878 2.378 ( 0.030 0.271 -0.777) 0.824 2.943 ( -13.440 5.266 -0.464) 14.443 3.834 ( -4.329 -2.164 0.373) 4.854 5.857 ( -4.516 -0.071 0.359) 4.530 5.924 ( -4.262 -0.471 0.455) 4.312 6.341 ( -1.602 1.492 0.547) 2.256 6.661 ( 4.916 6.555 -1.388) 8.310 6.803 ( 1.661 -3.095 0.329) 3.528 7.884 ( 4.860 -2.074 0.707) 5.331 ======================= Grid point 54 (41/288) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -8.267 -0.000 0.000) 8.267 1.878 ( -4.906 -0.000 0.000) 4.906 2.021 ( -1.395 -0.000 0.000) 1.395 2.342 ( -5.661 -0.000 0.000) 5.661 2.784 ( -5.289 -0.000 0.000) 5.289 3.665 ( -13.780 -0.000 0.000) 13.780 5.725 ( -9.927 -0.000 0.000) 9.927 5.889 ( 0.320 0.000 -0.000) 0.320 6.283 ( -4.815 -0.000 0.000) 4.815 6.821 ( 2.558 0.000 -0.000) 2.558 6.847 ( 11.123 0.000 -0.000) 11.123 7.969 ( 5.761 0.000 -0.000) 5.761 ======================= Grid point 61 (42/288) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -0.000 3.091 1.518) 3.444 1.727 ( -0.000 11.991 1.942) 12.147 1.978 ( -0.000 5.268 0.177) 5.271 1.979 ( 0.000 12.542 -1.136) 12.593 2.666 ( 0.000 -5.987 -5.386) 8.053 3.237 ( -0.000 24.560 3.687) 24.835 5.450 ( -0.000 8.204 0.194) 8.206 5.997 ( 0.000 -0.948 -0.111) 0.955 6.124 ( 0.000 -0.765 -0.198) 0.791 6.658 ( 0.000 -3.615 -6.209) 7.185 7.217 ( -0.000 -12.197 1.539) 12.293 8.197 ( 0.000 -2.956 -0.994) 3.119 ======================= Grid point 62 (43/288) ======================= q-point: ( 0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 0.665 2.564 0.408) 2.680 1.840 ( 0.143 8.815 -0.374) 8.824 1.973 ( -2.241 3.269 -2.785) 4.844 2.188 ( 7.025 10.669 0.529) 12.785 2.613 ( 2.397 -5.641 -1.258) 6.257 3.510 ( 2.844 20.546 2.493) 20.891 5.568 ( 4.262 7.527 0.181) 8.651 5.965 ( -2.922 0.562 -0.972) 3.130 6.152 ( 2.648 1.167 -0.301) 2.909 6.615 ( 1.746 -5.043 -3.924) 6.624 7.084 ( -2.047 -10.642 0.745) 10.863 8.128 ( -4.128 -2.562 -1.016) 4.963 ======================= Grid point 63 (44/288) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 3.038 3.563 1.129) 4.817 1.909 ( -0.370 6.189 -2.499) 6.684 1.956 ( -0.541 0.200 -2.331) 2.401 2.397 ( 4.022 5.885 2.672) 7.612 2.667 ( 8.856 0.597 -0.205) 8.879 3.738 ( 2.061 13.463 1.141) 13.668 5.743 ( 6.194 7.161 0.688) 9.493 5.918 ( -2.881 1.951 -1.170) 3.671 6.218 ( 2.830 1.853 -2.060) 3.961 6.597 ( 3.424 -5.157 -1.484) 6.366 6.944 ( -3.045 -7.937 0.469) 8.514 8.005 ( -6.361 -2.034 -1.221) 6.789 ======================= Grid point 64 (45/288) ======================= q-point: ( 0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 3.853 4.617 1.615) 6.227 1.946 ( 0.243 3.418 -3.001) 4.555 1.949 ( 0.155 -0.401 -0.060) 0.434 2.449 ( -0.292 -0.774 2.960) 3.073 2.928 ( 12.765 9.065 -0.158) 15.657 3.845 ( -1.154 5.239 0.040) 5.365 5.880 ( 0.591 3.771 0.385) 3.837 5.934 ( 2.477 5.031 0.080) 5.608 6.248 ( 0.607 -1.027 -3.879) 4.058 6.641 ( 5.644 -1.250 0.301) 5.788 6.830 ( -2.644 -4.152 0.696) 4.971 7.870 ( -5.712 -2.184 -1.246) 6.241 ======================= Grid point 65 (46/288) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 1.718 5.440 0.926) 5.780 1.947 ( -0.158 -0.203 0.108) 0.279 1.971 ( 1.351 -0.442 -1.089) 1.791 2.426 ( -1.351 -1.367 1.637) 2.525 3.241 ( 8.581 13.359 0.157) 15.878 3.809 ( -3.171 -3.593 -0.335) 4.804 5.921 ( 0.978 2.423 0.722) 2.711 6.016 ( 0.541 4.089 0.314) 4.136 6.209 ( 0.110 -4.040 -3.228) 5.172 6.721 ( -0.859 3.986 0.463) 4.103 6.799 ( 2.706 -0.901 0.677) 2.931 7.765 ( -2.293 -3.221 -0.858) 4.045 ======================= Grid point 66 (47/288) ======================= q-point: (-0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -3.389 4.936 0.574) 6.015 1.942 ( 0.096 -0.232 -0.075) 0.262 1.977 ( 2.407 -3.378 -0.569) 4.186 2.396 ( -1.187 -0.306 0.520) 1.331 3.418 ( -8.475 13.645 -0.195) 16.064 3.733 ( 5.886 -8.864 0.211) 10.642 5.937 ( -1.070 -0.258 0.063) 1.102 6.049 ( -1.520 3.084 1.010) 3.583 6.196 ( 4.427 -2.767 -1.752) 5.506 6.729 ( -2.771 5.471 1.450) 6.302 6.823 ( -1.056 -0.825 -0.998) 1.670 7.733 ( 2.458 -2.758 -0.146) 3.698 ======================= Grid point 67 (48/288) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -6.696 -0.000 0.000) 6.696 1.944 ( 0.046 0.000 -0.000) 0.046 2.002 ( 2.189 0.000 -0.000) 2.189 2.381 ( -0.505 -0.000 0.000) 0.505 3.237 ( -15.648 -0.000 0.000) 15.648 3.817 ( 4.664 0.000 -0.000) 4.664 5.901 ( -2.167 -0.000 0.000) 2.167 6.013 ( -4.174 -0.000 0.000) 4.174 6.290 ( 6.356 0.000 -0.000) 6.356 6.727 ( -5.248 -0.000 0.000) 5.248 6.761 ( 0.367 0.000 -0.000) 0.367 7.787 ( 4.732 0.000 -0.000) 4.732 ======================= Grid point 76 (49/288) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 0.000 0.648 -1.609) 1.734 1.919 ( 0.000 6.657 -0.936) 6.723 1.999 ( 0.000 -1.364 -6.620) 6.759 2.223 ( -0.000 10.616 0.500) 10.628 2.539 ( -0.000 -4.744 3.061) 5.645 3.695 ( -0.000 17.945 2.182) 18.077 5.585 ( 0.000 4.889 -0.755) 4.947 6.003 ( 0.000 1.742 -2.255) 2.850 6.144 ( -0.000 2.511 0.691) 2.604 6.541 ( 0.000 -4.929 -1.181) 5.068 6.997 ( 0.000 -9.535 -0.640) 9.557 8.141 ( 0.000 -2.031 -0.517) 2.096 ======================= Grid point 77 (50/288) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 3.081 0.946 -1.005) 3.376 1.938 ( -0.320 -1.295 -8.647) 8.749 1.972 ( -0.501 3.098 0.916) 3.269 2.387 ( 5.719 7.673 0.933) 9.615 2.535 ( 3.636 -2.581 3.563) 5.707 3.862 ( 0.105 12.681 1.372) 12.755 5.681 ( 6.146 3.734 -0.629) 7.219 5.987 ( -2.622 2.155 -2.561) 4.252 6.195 ( 1.714 2.741 -0.243) 3.242 6.506 ( 1.308 -4.211 1.227) 4.576 6.897 ( -0.962 -7.323 -1.237) 7.489 8.084 ( -4.168 -1.336 -0.478) 4.403 ======================= Grid point 78 (51/288) ======================= q-point: ( 0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 5.723 1.792 0.419) 6.012 1.914 ( 1.490 -1.338 -4.119) 4.580 1.990 ( -0.930 2.285 -0.247) 2.480 2.464 ( -0.742 0.262 2.914) 3.019 2.731 ( 15.125 3.917 0.077) 15.624 3.947 ( -2.371 6.591 0.487) 7.021 5.851 ( 7.817 3.406 0.075) 8.527 5.960 ( -1.819 2.229 -1.570) 3.277 6.228 ( -0.025 0.292 -1.820) 1.843 6.524 ( 4.580 -2.243 1.993) 5.475 6.817 ( -0.868 -4.063 -0.953) 4.262 7.972 ( -6.839 -0.765 -0.568) 6.905 ======================= Grid point 79 (52/288) ======================= q-point: ( 0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 5.946 1.738 0.501) 6.215 1.927 ( 1.389 -0.468 -0.767) 1.654 1.986 ( -1.246 0.883 -0.338) 1.565 2.445 ( -1.542 -0.522 1.253) 2.054 3.071 ( 17.910 4.007 0.006) 18.352 3.907 ( -6.834 1.257 -0.056) 6.949 5.944 ( -0.352 2.160 0.426) 2.229 6.007 ( 4.473 1.752 -0.406) 4.821 6.188 ( -2.395 -1.913 -1.517) 3.420 6.642 ( 9.003 0.015 0.720) 9.032 6.782 ( -0.311 -0.820 -0.102) 0.883 7.835 ( -7.197 -0.723 -0.465) 7.248 ======================= Grid point 80 (53/288) ======================= q-point: (-0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 5.042 0.000 -0.000) 5.042 1.936 ( -0.063 -0.000 0.000) 0.063 1.956 ( -2.542 -0.000 0.000) 2.542 2.417 ( -1.369 -0.000 0.000) 1.369 3.411 ( 16.899 0.000 -0.000) 16.899 3.740 ( -11.729 -0.000 0.000) 11.729 5.951 ( -0.335 -0.000 0.000) 0.335 6.090 ( 4.084 0.000 -0.000) 4.084 6.118 ( -3.138 -0.000 0.000) 3.138 6.775 ( -0.441 -0.000 0.000) 0.441 6.790 ( 5.664 0.000 -0.000) 5.664 7.727 ( -3.608 -0.000 0.000) 3.608 ======================= Grid point 92 (54/288) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 0.000 0.143 -1.439) 1.446 1.879 ( 0.000 -3.850 -8.086) 8.955 2.009 ( -0.000 2.392 0.133) 2.395 2.395 ( -0.000 5.764 0.403) 5.778 2.506 ( -0.000 -1.531 4.395) 4.654 3.979 ( -0.000 8.953 1.024) 9.012 5.643 ( 0.000 1.619 -0.896) 1.850 6.021 ( 0.000 1.471 -3.660) 3.944 6.213 ( -0.000 3.005 0.820) 3.115 6.468 ( -0.000 -2.597 2.942) 3.924 6.833 ( 0.000 -5.496 -1.823) 5.790 8.109 ( 0.000 -0.870 -0.176) 0.887 ======================= Grid point 93 (55/288) ======================= q-point: ( 0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 4.532 0.389 -0.355) 4.563 1.846 ( 2.123 -2.041 -3.868) 4.861 2.021 ( -0.624 1.109 -0.045) 1.273 2.489 ( 0.260 1.469 1.390) 2.039 2.535 ( 8.402 0.684 0.944) 8.483 4.039 ( -1.293 4.164 0.432) 4.382 5.723 ( 7.456 0.960 -0.401) 7.528 6.005 ( -1.756 0.885 -1.918) 2.747 6.239 ( -0.232 1.295 -0.007) 1.316 6.465 ( 1.086 -1.173 2.123) 2.658 6.784 ( -0.031 -2.672 -1.157) 2.911 8.066 ( -4.098 -0.352 -0.130) 4.115 ======================= Grid point 94 (56/288) ======================= q-point: (-0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 6.599 0.000 -0.000) 6.599 1.881 ( 3.032 0.000 -0.000) 3.032 2.011 ( -1.056 -0.000 0.000) 1.056 2.474 ( -1.604 -0.000 0.000) 1.604 2.775 ( 16.350 0.000 -0.000) 16.350 4.015 ( -3.974 -0.000 0.000) 3.974 5.887 ( 9.157 0.000 -0.000) 9.157 5.976 ( -1.569 -0.000 0.000) 1.569 6.224 ( -2.045 -0.000 0.000) 2.045 6.510 ( 4.941 0.000 -0.000) 4.941 6.773 ( 0.322 0.000 -0.000) 0.322 7.963 ( -7.020 -0.000 0.000) 7.020 ======================= Grid point 109 (57/288) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -0.000 0.000 0.000) 0.000 1.806 ( -0.000 0.000 0.000) 0.000 2.032 ( -0.000 0.000 0.000) 0.000 2.455 ( -0.000 0.000 0.000) 0.000 2.506 ( -0.000 0.000 0.000) 0.000 4.073 ( -0.000 0.000 0.000) 0.000 5.655 ( -0.000 0.000 0.000) 0.000 6.023 ( -0.000 0.000 0.000) 0.000 6.249 ( -0.000 0.000 0.000) 0.000 6.456 ( -0.000 0.000 0.000) 0.000 6.768 ( 0.000 0.000 -0.000) 0.000 8.101 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 218 (58/288) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.201 ( -0.000 0.000 22.236) 22.236 0.201 ( -0.000 0.000 22.236) 22.236 0.375 ( -0.000 0.000 41.558) 41.558 1.707 ( 0.000 -0.000 -1.899) 1.899 1.707 ( 0.000 -0.000 -1.899) 1.899 3.579 ( 0.000 -0.000 -5.560) 5.560 5.000 ( -0.000 0.000 0.538) 0.538 5.000 ( -0.000 0.000 0.538) 0.538 6.320 ( 0.000 -0.000 -0.327) 0.327 6.320 ( 0.000 -0.000 -0.327) 0.327 8.056 ( -0.000 0.000 0.921) 0.921 8.406 ( 0.000 -0.000 -0.313) 0.313 ======================= Grid point 219 (59/288) ======================= q-point: ( 0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( 13.817 7.977 5.837) 16.989 0.464 ( 11.521 6.652 14.517) 19.691 0.987 ( 28.744 16.596 21.557) 39.577 1.729 ( 1.789 1.033 -1.271) 2.425 1.774 ( 6.594 3.807 -3.873) 8.542 3.085 ( -5.785 -3.340 2.747) 7.223 5.033 ( 2.588 1.494 0.732) 3.077 6.270 ( -3.267 -1.886 -1.565) 4.084 6.298 ( -1.761 -1.017 -0.361) 2.066 6.474 ( 25.927 14.969 -42.958) 52.360 7.971 ( -8.812 -5.088 5.386) 11.513 8.290 ( -1.786 -1.031 0.525) 2.128 ======================= Grid point 220 (60/288) ======================= q-point: ( 0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 15.099 8.717 0.178) 17.436 0.796 ( 13.755 7.941 3.645) 16.296 1.616 ( 16.901 9.758 12.469) 23.159 1.787 ( 3.466 2.001 -0.513) 4.035 2.046 ( 19.582 11.306 -3.178) 22.834 3.001 ( -2.173 -1.254 -2.402) 3.473 5.124 ( 4.969 2.869 0.662) 5.776 6.152 ( -5.860 -3.383 -1.182) 6.869 6.242 ( -2.679 -1.547 -0.316) 3.110 6.755 ( 9.485 5.476 -14.864) 18.463 7.737 ( -11.886 -6.862 6.015) 14.985 8.246 ( -2.328 -1.344 -4.597) 5.325 ======================= Grid point 221 (61/288) ======================= q-point: ( 0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 12.539 7.239 -1.841) 14.595 1.118 ( 13.374 7.721 -2.704) 15.677 1.879 ( 6.424 3.709 2.572) 7.851 1.894 ( 5.831 3.367 0.319) 6.741 2.577 ( 20.431 11.796 -1.937) 23.671 2.989 ( 3.270 1.888 2.097) 4.319 5.265 ( 6.733 3.887 0.300) 7.780 6.007 ( -5.653 -3.264 -2.007) 6.829 6.181 ( -2.288 -1.321 -0.124) 2.645 6.885 ( 4.294 2.479 -5.388) 7.322 7.459 ( -13.084 -7.554 4.585) 15.789 8.154 ( -3.725 -2.150 -5.640) 7.093 ======================= Grid point 222 (62/288) ======================= q-point: ( 0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 8.075 4.662 -2.535) 9.662 1.406 ( 12.334 7.121 -5.998) 15.453 1.992 ( 3.340 1.928 -0.479) 3.886 2.061 ( 7.953 4.592 0.793) 9.218 2.773 ( -0.078 -0.045 -1.647) 1.649 3.295 ( 17.672 10.203 4.641) 20.927 5.430 ( 6.989 4.035 -0.273) 8.074 5.897 ( -2.643 -1.526 -2.825) 4.159 6.144 ( -0.728 -0.421 0.267) 0.882 6.924 ( 0.000 0.000 -1.656) 1.656 7.150 ( -13.964 -8.062 1.875) 16.233 8.063 ( -2.291 -1.323 -4.102) 4.881 ======================= Grid point 223 (63/288) ======================= q-point: ( 0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 4.415 2.549 -2.223) 5.562 1.663 ( 11.209 6.472 -6.837) 14.638 2.049 ( 2.021 1.167 -1.288) 2.665 2.251 ( 7.460 4.307 0.694) 8.642 2.703 ( -5.408 -3.122 2.618) 6.771 3.674 ( 12.850 7.419 2.103) 14.986 5.576 ( 5.262 3.038 -0.836) 6.133 5.881 ( 2.182 1.260 -3.105) 3.998 6.150 ( 1.081 0.624 0.739) 1.451 6.812 ( -14.033 -8.102 3.352) 16.547 6.900 ( -2.013 -1.162 -4.012) 4.637 8.028 ( -0.138 -0.080 -1.565) 1.573 ======================= Grid point 224 (64/288) ======================= q-point: ( 0.50 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 2.144 1.238 -1.449) 2.868 1.886 ( 8.857 5.114 -5.740) 11.728 2.093 ( 2.681 1.548 -2.356) 3.890 2.394 ( 4.301 2.483 0.410) 4.984 2.549 ( -8.306 -4.795 4.523) 10.604 3.902 ( 6.202 3.581 1.168) 7.256 5.666 ( 2.673 1.543 -0.965) 3.234 5.979 ( 6.756 3.901 -2.776) 8.281 6.186 ( 1.369 0.790 0.892) 1.815 6.497 ( -12.668 -7.314 1.609) 14.716 6.856 ( -1.092 -0.630 -1.599) 2.036 8.034 ( 0.524 0.303 0.006) 0.605 ======================= Grid point 225 (65/288) ======================= q-point: (-0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 0.494 0.285 -0.485) 0.748 2.000 ( 1.410 0.814 -1.231) 2.041 2.188 ( 5.052 2.917 -5.164) 7.791 2.375 ( -5.631 -3.251 3.943) 7.604 2.445 ( -0.144 -0.083 0.120) 0.205 3.977 ( -0.135 -0.078 1.152) 1.162 5.699 ( 0.325 0.188 -0.543) 0.660 6.149 ( 4.223 2.438 -2.085) 5.303 6.203 ( -0.284 -0.164 0.566) 0.654 6.264 ( -3.666 -2.116 2.428) 4.879 6.845 ( 0.482 0.278 -0.580) 0.804 8.044 ( 0.175 0.101 0.731) 0.758 ======================= Grid point 226 (66/288) ======================= q-point: (-0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -1.135 -0.655 0.689) 1.480 1.963 ( -4.846 -2.798 2.492) 6.125 2.146 ( -4.666 -2.694 2.967) 6.150 2.388 ( -4.640 -2.679 -0.260) 5.364 2.448 ( 8.514 4.915 -5.908) 11.469 3.899 ( -6.916 -3.993 0.837) 8.030 5.677 ( -2.224 -1.284 0.128) 2.572 6.037 ( -6.090 -3.516 3.304) 7.769 6.177 ( -1.771 -1.023 -0.018) 2.045 6.456 ( 11.887 6.863 -2.650) 13.979 6.878 ( 2.405 1.389 0.657) 2.854 8.050 ( 0.203 0.117 1.643) 1.660 ======================= Grid point 227 (67/288) ======================= q-point: (-0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -3.386 -1.955 2.291) 4.531 1.796 ( -9.907 -5.720 6.979) 13.401 2.072 ( -2.908 -1.679 1.319) 3.608 2.235 ( -7.896 -4.559 -0.941) 9.166 2.631 ( 8.021 4.631 -5.211) 10.628 3.648 ( -14.546 -8.398 -0.516) 16.804 5.590 ( -5.323 -3.073 0.589) 6.175 5.947 ( -2.359 -1.362 3.839) 4.707 6.138 ( -1.057 -0.610 -0.479) 1.311 6.715 ( 10.276 5.933 -6.291) 13.430 6.970 ( 5.409 3.123 2.831) 6.857 8.075 ( 1.536 0.887 3.197) 3.656 ======================= Grid point 228 (68/288) ======================= q-point: (-0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -7.357 -4.248 4.607) 9.664 1.553 ( -12.826 -7.405 9.198) 17.434 1.986 ( -4.965 -2.867 -0.857) 5.797 2.034 ( -8.189 -4.728 -2.094) 9.685 2.784 ( 5.548 3.203 -1.147) 6.508 3.217 ( -21.160 -12.217 -3.065) 24.625 5.438 ( -7.378 -4.259 0.541) 8.536 5.951 ( 1.815 1.048 2.913) 3.588 6.136 ( 0.999 0.577 -0.535) 1.272 6.862 ( 3.998 2.308 -7.037) 8.416 7.164 ( 10.021 5.785 2.290) 11.795 8.146 ( 3.392 1.958 4.312) 5.825 ======================= Grid point 229 (69/288) ======================= q-point: (-0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -12.771 -7.373 7.143) 16.385 1.248 ( -15.606 -9.010 10.125) 20.670 1.809 ( -10.142 -5.856 -3.881) 12.338 1.864 ( -5.314 -3.068 -3.023) 6.840 2.618 ( -24.515 -14.154 1.851) 28.367 2.932 ( 3.705 2.139 -3.729) 5.675 5.265 ( -7.105 -4.102 0.269) 8.209 6.039 ( 4.737 2.735 1.343) 5.632 6.178 ( 2.529 1.460 -0.398) 2.947 6.887 ( 0.130 0.075 -5.202) 5.205 7.423 ( 11.225 6.481 0.794) 12.986 8.243 ( 3.445 1.989 3.552) 5.333 ======================= Grid point 230 (70/288) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -16.228 -9.369 9.473) 20.996 0.887 ( -17.576 -10.147 10.826) 23.002 1.428 ( -22.358 -12.909 -5.720) 26.443 1.765 ( -2.558 -1.477 -2.950) 4.175 2.092 ( -17.799 -10.276 1.342) 20.596 3.011 ( 2.930 1.691 -1.125) 3.565 5.119 ( -5.163 -2.981 0.133) 5.964 6.164 ( 5.326 3.075 -0.024) 6.150 6.242 ( 2.824 1.630 -0.297) 3.274 6.847 ( -2.031 -1.173 -6.526) 6.935 7.688 ( 10.919 6.304 1.589) 12.708 8.307 ( 0.966 0.558 1.400) 1.790 ======================= Grid point 233 (71/288) ======================= q-point: ( 0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( -0.000 22.164 6.834) 23.194 0.622 ( -0.000 17.262 16.551) 23.914 0.923 ( -0.000 24.062 25.692) 35.200 1.687 ( 0.000 0.466 -4.392) 4.417 1.798 ( 0.000 9.317 -2.022) 9.534 3.093 ( -0.000 -8.682 1.997) 8.909 5.033 ( -0.000 2.943 0.726) 3.031 6.228 ( 0.000 7.621 -15.671) 17.426 6.295 ( 0.000 -2.142 -0.552) 2.212 6.369 ( 0.000 24.093 -28.561) 37.365 7.983 ( -0.000 -9.791 4.692) 10.857 8.307 ( -0.000 -1.689 0.556) 1.778 ======================= Grid point 234 (72/288) ======================= q-point: ( 0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -2.457 16.110 16.052) 22.875 0.850 ( 3.695 21.991 1.512) 22.350 1.462 ( 18.366 16.186 16.384) 29.457 1.723 ( 4.358 1.241 -4.219) 6.191 1.958 ( 6.197 16.189 -2.686) 17.542 3.003 ( -1.672 -3.753 -3.336) 5.292 5.097 ( 2.625 4.403 0.865) 5.198 6.186 ( -2.755 -4.917 -1.447) 5.819 6.255 ( -1.177 -2.494 -0.590) 2.820 6.603 ( 9.144 12.521 -21.498) 26.505 7.826 ( -6.306 -11.712 6.026) 14.603 8.272 ( -2.553 -0.178 -3.237) 4.127 ======================= Grid point 235 (73/288) ======================= q-point: ( 0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 5.006 12.115 9.117) 15.967 1.135 ( 4.778 19.019 -2.469) 19.765 1.792 ( 7.143 3.207 0.847) 7.876 1.854 ( 5.995 5.932 2.305) 8.743 2.385 ( 17.719 20.322 -0.630) 26.969 2.958 ( 1.258 -1.019 -1.755) 2.388 5.217 ( 4.669 5.901 0.825) 7.570 6.058 ( -5.014 -4.707 -1.606) 7.062 6.205 ( -1.766 -1.613 -0.420) 2.429 6.783 ( 7.316 3.788 -10.118) 13.048 7.584 ( -9.565 -11.104 5.610) 15.693 8.188 ( -4.304 -1.615 -5.046) 6.826 ======================= Grid point 236 (74/288) ======================= q-point: ( 0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 7.223 8.076 3.073) 11.262 1.381 ( 4.610 15.023 -4.667) 16.393 1.930 ( 5.433 1.986 -0.945) 5.861 2.016 ( 5.128 7.606 0.995) 9.227 2.739 ( 4.843 4.381 -4.143) 7.734 3.133 ( 14.387 10.851 4.906) 18.676 5.378 ( 5.562 7.080 0.512) 9.018 5.927 ( -4.070 -3.095 -2.237) 5.581 6.166 ( -1.474 0.171 -0.302) 1.514 6.876 ( 3.845 -0.493 -5.315) 6.578 7.301 ( -11.953 -10.126 4.241) 16.229 8.078 ( -3.461 -2.412 -4.516) 6.180 ======================= Grid point 237 (75/288) ======================= q-point: ( 0.43 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 5.491 5.339 0.025) 7.659 1.585 ( 5.589 11.278 -5.466) 13.723 2.009 ( 2.966 0.554 -1.322) 3.294 2.207 ( 5.812 9.089 0.880) 10.825 2.752 ( -2.025 -1.346 0.042) 2.432 3.532 ( 14.014 10.420 2.756) 17.679 5.545 ( 4.461 7.385 -0.052) 8.628 5.859 ( -0.296 -0.552 -2.521) 2.597 6.159 ( -0.326 1.864 -0.004) 1.892 6.882 ( 0.543 -2.551 -4.832) 5.491 6.988 ( -13.650 -8.450 3.486) 16.428 8.009 ( -0.260 -2.382 -2.212) 3.261 ======================= Grid point 238 (76/288) ======================= q-point: ( 0.50 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 2.238 4.073 -0.895) 4.733 1.783 ( 7.326 7.883 -5.358) 12.021 2.053 ( 2.379 0.148 -1.517) 2.826 2.381 ( 3.358 7.090 1.158) 7.930 2.664 ( -6.435 -1.102 2.143) 6.871 3.820 ( 8.603 5.494 1.483) 10.314 5.672 ( 1.715 6.824 -0.587) 7.060 5.896 ( 4.578 1.746 -2.266) 5.398 6.187 ( 0.618 2.447 0.315) 2.544 6.663 ( -13.204 -6.843 0.252) 14.874 6.855 ( -0.793 -1.603 -1.404) 2.273 7.999 ( 1.905 -2.393 -0.276) 3.071 ======================= Grid point 239 (77/288) ======================= q-point: ( 0.57 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 0.086 3.109 -0.719) 3.192 1.946 ( 5.234 3.065 -3.601) 7.054 2.103 ( 4.064 1.147 -3.430) 5.441 2.431 ( -2.781 -2.250 3.322) 4.882 2.565 ( -6.712 7.453 0.656) 10.052 3.960 ( 3.097 1.133 1.419) 3.590 5.739 ( -1.181 5.878 -0.637) 6.029 6.023 ( 7.511 1.036 -1.715) 7.774 6.224 ( 0.692 2.808 0.008) 2.892 6.397 ( -10.848 -3.133 1.960) 11.461 6.834 ( 0.177 -0.525 -1.143) 1.271 8.012 ( 2.140 -2.631 0.608) 3.445 ======================= Grid point 240 (78/288) ======================= q-point: (-0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -1.479 1.858 -0.015) 2.375 1.989 ( -0.240 -1.311 -0.120) 1.338 2.163 ( 1.087 -2.480 -2.316) 3.563 2.360 ( -0.295 -0.047 0.755) 0.812 2.543 ( -6.701 9.116 -0.793) 11.342 3.961 ( -3.011 -2.275 1.467) 4.048 5.747 ( -3.754 4.245 -0.184) 5.670 6.062 ( -1.063 -5.684 0.803) 5.838 6.246 ( -5.239 1.482 1.217) 5.579 6.347 ( 7.553 7.302 -1.015) 10.554 6.847 ( 1.804 0.176 -0.334) 1.843 8.023 ( 1.898 -2.705 1.241) 3.530 ======================= Grid point 241 (79/288) ======================= q-point: (-0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -3.093 -0.296 1.190) 3.327 1.915 ( -5.946 -3.134 3.261) 7.471 2.101 ( -2.375 -2.908 1.315) 3.979 2.344 ( -5.367 -0.795 -0.905) 5.500 2.566 ( 1.889 8.343 -4.272) 9.562 3.807 ( -10.724 -5.189 0.746) 11.937 5.688 ( -6.466 1.585 0.380) 6.669 5.974 ( -2.320 -4.002 2.715) 5.364 6.187 ( -3.818 1.803 0.457) 4.247 6.586 ( 10.138 7.472 -4.378) 13.334 6.905 ( 4.469 0.528 1.267) 4.675 8.041 ( 2.635 -2.039 2.260) 4.026 ======================= Grid point 242 (80/288) ======================= q-point: (-0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -5.641 -4.224 3.373) 7.813 1.756 ( -10.315 -1.831 5.714) 11.933 2.030 ( -3.409 -2.695 -0.314) 4.357 2.175 ( -10.985 -0.956 -0.706) 11.049 2.704 ( 6.267 4.780 -3.574) 8.655 3.476 ( -19.419 -7.625 -0.576) 20.870 5.555 ( -8.772 -1.080 0.595) 8.858 5.938 ( 0.649 -1.360 2.577) 2.985 6.156 ( -1.975 2.250 -0.140) 2.997 6.783 ( 6.219 4.679 -7.243) 10.632 7.040 ( 9.179 1.855 2.863) 9.792 8.096 ( 4.325 -0.670 3.099) 5.363 ======================= Grid point 243 (81/288) ======================= q-point: (-0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -10.111 -9.010 6.255) 14.918 1.551 ( -14.492 0.318 5.897) 15.649 1.904 ( -7.106 -3.381 -2.667) 8.309 1.973 ( -9.861 -0.653 -0.956) 9.928 2.843 ( 5.156 2.861 -0.154) 5.899 2.981 ( -25.721 -8.528 -2.611) 27.224 5.378 ( -9.146 -2.112 0.490) 9.399 5.983 ( 3.962 0.554 1.315) 4.211 6.164 ( 0.488 1.983 -0.320) 2.067 6.860 ( 1.799 1.717 -6.185) 6.666 7.267 ( 12.169 2.977 1.861) 12.665 8.189 ( 5.101 0.139 2.404) 5.640 ======================= Grid point 244 (82/288) ======================= q-point: (-0.07 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -14.160 -10.644 8.344) 19.581 1.267 ( -19.270 -1.101 3.401) 19.599 1.686 ( -14.711 -2.301 0.012) 14.889 1.825 ( -6.061 0.511 -2.313) 6.508 2.411 ( -27.176 -5.915 -0.059) 27.812 2.955 ( 4.467 1.373 -1.678) 4.966 5.210 ( -7.602 -1.470 0.384) 7.752 6.084 ( 5.955 0.971 -0.009) 6.034 6.206 ( 2.348 1.081 -0.310) 2.604 6.858 ( -1.408 0.877 -6.311) 6.525 7.523 ( 12.946 2.345 2.279) 13.352 8.272 ( 3.543 -0.445 0.119) 3.573 ======================= Grid point 248 (83/288) ======================= q-point: ( 0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -0.000 20.192 5.097) 20.825 1.057 ( -0.000 16.140 13.076) 20.772 1.509 ( -0.000 19.026 14.499) 23.921 1.679 ( 0.000 2.298 -6.619) 7.006 2.088 ( 0.000 21.096 -1.628) 21.159 2.960 ( 0.000 -4.524 -4.662) 6.496 5.128 ( -0.000 5.964 0.818) 6.020 6.152 ( 0.000 -4.968 -1.229) 5.118 6.233 ( 0.000 -3.328 -0.680) 3.397 6.595 ( 0.000 11.350 -17.682) 21.012 7.762 ( -0.000 -13.962 5.300) 14.935 8.287 ( 0.000 -0.475 -3.266) 3.300 ======================= Grid point 249 (84/288) ======================= q-point: ( 0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -4.624 14.435 13.042) 19.996 1.281 ( 1.362 19.076 -0.236) 19.126 1.720 ( 4.337 4.506 -2.566) 6.761 1.810 ( 7.775 8.943 4.990) 12.858 2.391 ( 7.655 24.790 -1.799) 26.008 2.912 ( 1.046 -2.237 -2.974) 3.866 5.223 ( 2.680 7.365 0.964) 7.896 6.073 ( -2.803 -5.039 -1.030) 5.857 6.197 ( -0.039 -2.585 -0.580) 2.650 6.683 ( 4.646 4.836 -11.357) 13.189 7.594 ( -4.305 -13.752 4.812) 15.192 8.234 ( -3.607 -1.414 -4.018) 5.582 ======================= Grid point 250 (85/288) ======================= q-point: ( 0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -1.104 11.280 8.636) 14.249 1.478 ( 1.418 15.791 -3.537) 16.245 1.853 ( 5.626 4.023 -1.557) 7.089 2.012 ( 5.468 8.152 1.576) 9.942 2.695 ( 4.668 7.171 -6.163) 10.545 3.042 ( 10.548 12.608 4.492) 17.041 5.374 ( 4.565 8.771 1.188) 9.959 5.959 ( -4.057 -3.677 -1.641) 5.716 6.179 ( -0.014 -0.425 -0.756) 0.868 6.766 ( 5.075 -0.600 -6.913) 8.597 7.371 ( -7.295 -12.328 4.254) 14.943 8.119 ( -5.286 -2.397 -4.179) 7.152 ======================= Grid point 251 (86/288) ======================= q-point: ( 0.43 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 1.666 8.570 4.655) 9.894 1.633 ( 1.646 12.108 -4.628) 13.066 1.954 ( 3.379 1.001 -1.203) 3.724 2.215 ( 5.816 10.908 1.167) 12.416 2.747 ( 1.306 -0.142 -2.207) 2.568 3.425 ( 12.473 13.850 2.752) 18.841 5.556 ( 4.600 9.571 1.143) 10.680 5.866 ( -2.384 -1.368 -1.899) 3.341 6.185 ( 0.026 2.004 -1.175) 2.323 6.800 ( 3.199 -3.526 -5.317) 7.137 7.118 ( -9.793 -9.791 3.713) 14.337 7.999 ( -3.238 -3.131 -2.993) 5.407 ======================= Grid point 252 (87/288) ======================= q-point: ( 0.50 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 1.524 6.886 2.096) 7.357 1.767 ( 3.060 9.043 -3.974) 10.341 2.002 ( 2.585 -0.434 -1.308) 2.930 2.406 ( 3.291 7.566 2.014) 8.493 2.753 ( -1.607 3.381 -0.100) 3.745 3.730 ( 8.942 7.377 1.191) 11.653 5.720 ( 2.542 8.952 0.714) 9.333 5.851 ( 1.505 1.177 -1.572) 2.474 6.210 ( 0.175 3.125 -1.413) 3.434 6.758 ( -3.305 -5.434 -4.451) 7.763 6.884 ( -6.850 -4.215 3.078) 8.612 7.935 ( 0.703 -3.901 -1.174) 4.134 ======================= Grid point 253 (88/288) ======================= q-point: ( 0.57 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -0.424 5.737 0.546) 5.779 1.894 ( 3.758 5.025 -2.901) 6.912 2.040 ( 3.012 -0.311 -1.748) 3.496 2.460 ( -1.436 -1.412 2.982) 3.598 2.778 ( -4.881 12.533 -0.401) 13.456 3.901 ( 5.255 1.368 1.045) 5.529 5.828 ( -0.058 7.694 0.347) 7.702 5.922 ( 4.604 1.650 -1.061) 5.004 6.240 ( 0.461 2.572 -1.583) 3.055 6.561 ( -10.121 -2.651 0.702) 10.486 6.826 ( -0.297 -0.540 -0.739) 0.963 7.927 ( 3.043 -4.598 0.026) 5.514 ======================= Grid point 254 (89/288) ======================= q-point: (-0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -2.268 4.443 0.243) 4.994 1.962 ( 1.702 0.123 -1.210) 2.092 2.090 ( 3.235 -0.704 -3.154) 4.573 2.395 ( -3.043 -2.107 2.682) 4.571 2.801 ( -8.515 14.210 -0.681) 16.580 3.958 ( 1.367 -2.313 1.403) 3.031 5.869 ( -3.329 5.944 0.245) 6.817 5.998 ( 2.885 -2.175 -0.085) 3.614 6.285 ( 2.746 2.307 -2.422) 4.328 6.413 ( -6.864 4.407 2.672) 8.583 6.824 ( 0.527 0.078 -0.949) 1.088 7.938 ( 3.465 -4.817 0.663) 5.970 ======================= Grid point 255 (90/288) ======================= q-point: (-0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -4.093 2.122 0.652) 4.656 1.957 ( -1.296 -1.640 0.497) 2.149 2.091 ( 0.114 -3.124 -1.384) 3.419 2.367 ( -0.090 0.423 0.221) 0.486 2.758 ( -10.333 11.303 -1.181) 15.360 3.905 ( -4.636 -3.811 1.194) 6.119 5.834 ( -6.119 3.176 0.612) 6.921 5.969 ( -1.563 -3.813 0.968) 4.233 6.293 ( -3.824 2.614 0.234) 4.638 6.496 ( 6.626 8.102 -1.752) 10.612 6.843 ( 2.374 -0.679 -0.040) 2.469 7.957 ( 3.740 -4.135 1.213) 5.706 ======================= Grid point 256 (91/288) ======================= q-point: (-0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -6.115 -1.287 1.790) 6.501 1.888 ( -5.141 -1.127 1.949) 5.612 2.047 ( -1.529 -2.366 -0.884) 2.952 2.338 ( -5.646 0.243 0.195) 5.655 2.707 ( -3.438 6.719 -2.157) 7.850 3.711 ( -13.229 -4.124 0.485) 13.865 5.720 ( -9.251 0.823 0.731) 9.316 5.917 ( -0.212 -2.570 1.190) 2.840 6.246 ( -4.620 3.072 0.175) 5.551 6.699 ( 7.512 6.575 -5.339) 11.321 6.908 ( 6.483 -1.374 2.361) 7.035 8.002 ( 4.966 -2.596 1.447) 5.787 ======================= Grid point 257 (92/288) ======================= q-point: (-0.14 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -9.101 -3.828 3.247) 10.393 1.763 ( -8.923 -0.691 1.271) 9.040 1.975 ( -4.178 -1.257 -1.840) 4.735 2.173 ( -11.984 0.295 0.890) 12.021 2.768 ( 4.314 2.691 -2.025) 5.473 3.360 ( -22.230 -3.043 0.552) 22.444 5.543 ( -10.643 -0.538 0.664) 10.678 5.923 ( 2.573 -0.970 0.303) 2.767 6.203 ( -2.710 1.656 -0.218) 3.183 6.826 ( 3.101 3.545 -5.163) 6.988 7.074 ( 11.803 -0.184 2.633) 12.095 8.085 ( 6.116 -1.367 0.482) 6.285 ======================= Grid point 258 (93/288) ======================= q-point: (-0.07 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -13.017 -3.160 3.908) 13.953 1.541 ( -14.533 -3.248 -2.520) 15.103 1.871 ( -7.129 1.642 -0.131) 7.317 1.977 ( -10.241 0.560 1.304) 10.339 2.819 ( -9.178 -1.723 -7.208) 11.797 2.944 ( -13.929 2.902 6.355) 15.583 5.357 ( -9.744 -0.189 0.549) 9.761 5.983 ( 5.045 -0.685 -0.834) 5.159 6.188 ( 0.159 0.093 -0.235) 0.299 6.871 ( 0.278 2.484 -3.739) 4.497 7.305 ( 13.436 -0.533 2.414) 13.662 8.176 ( 5.584 -1.486 -1.807) 6.054 ======================= Grid point 263 (94/288) ======================= q-point: ( 0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -0.000 8.617 7.389) 11.351 1.440 ( -0.000 16.575 2.261) 16.729 1.739 ( 0.000 8.838 -5.342) 10.327 1.844 ( -0.000 8.876 6.369) 10.924 2.564 ( 0.000 20.523 -5.626) 21.280 2.887 ( -0.000 3.304 1.010) 3.455 5.280 ( -0.000 8.180 0.644) 8.206 6.050 ( 0.000 -4.069 -0.544) 4.105 6.163 ( 0.000 -2.890 -0.558) 2.943 6.653 ( 0.000 2.696 -9.138) 9.527 7.498 ( -0.000 -14.377 3.659) 14.835 8.241 ( 0.000 -1.823 -3.554) 3.994 ======================= Grid point 264 (95/288) ======================= q-point: ( 0.36 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -2.195 5.995 4.303) 7.699 1.608 ( 0.449 13.622 -1.329) 13.694 1.843 ( 1.400 8.849 -0.603) 8.979 1.995 ( 5.803 7.635 1.234) 9.670 2.669 ( 1.823 1.587 -6.972) 7.379 3.076 ( 5.535 20.217 5.070) 21.566 5.397 ( 3.297 8.840 0.724) 9.462 5.984 ( -2.939 -2.777 -1.179) 4.212 6.152 ( 1.468 -1.248 -0.547) 2.003 6.667 ( 2.759 -0.981 -6.095) 6.762 7.337 ( -2.928 -13.492 2.804) 14.088 8.173 ( -4.102 -2.207 -3.375) 5.752 ======================= Grid point 265 (96/288) ======================= q-point: ( 0.43 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 0.337 5.870 3.393) 6.789 1.726 ( -0.040 10.821 -3.892) 11.500 1.924 ( 1.282 2.658 -0.211) 2.959 2.215 ( 7.339 10.863 0.858) 13.138 2.691 ( 3.211 -1.462 -2.385) 4.259 3.415 ( 7.581 18.022 2.700) 19.737 5.572 ( 5.232 9.443 1.137) 10.856 5.901 ( -3.351 -0.854 -1.600) 3.810 6.180 ( 1.843 1.078 -1.441) 2.576 6.684 ( 3.574 -3.764 -3.973) 6.537 7.147 ( -4.926 -11.379 2.315) 12.614 8.046 ( -5.892 -2.436 -2.941) 7.022 ======================= Grid point 266 (97/288) ======================= q-point: ( 0.50 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 1.724 6.323 3.189) 7.288 1.815 ( 0.694 8.270 -3.819) 9.135 1.957 ( 1.458 -0.122 -0.655) 1.603 2.421 ( 3.725 6.213 2.318) 7.606 2.767 ( 5.102 4.611 -0.650) 6.907 3.687 ( 5.788 10.279 0.818) 11.825 5.757 ( 4.016 8.665 1.298) 9.639 5.857 ( -0.990 1.642 -1.172) 2.247 6.220 ( 1.254 2.123 -2.754) 3.697 6.693 ( 2.888 -3.737 -2.781) 5.481 6.957 ( -5.922 -7.701 2.216) 9.964 7.919 ( -3.985 -3.031 -2.015) 5.397 ======================= Grid point 267 (98/288) ======================= q-point: ( 0.57 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 0.357 6.454 1.950) 6.752 1.897 ( 1.371 5.302 -1.816) 5.770 1.980 ( 2.400 -0.943 -1.041) 2.781 2.470 ( -0.571 -1.488 2.516) 2.979 2.946 ( 2.682 14.176 -0.360) 14.432 3.830 ( 3.686 1.770 0.204) 4.094 5.862 ( 1.962 3.603 0.398) 4.122 5.915 ( 1.386 5.887 0.266) 6.054 6.240 ( 0.539 0.327 -3.378) 3.436 6.673 ( -3.139 -0.297 -0.608) 3.211 6.831 ( -1.845 -2.291 1.042) 3.120 7.842 ( 0.040 -4.366 -0.942) 4.467 ======================= Grid point 268 (99/288) ======================= q-point: ( 0.64 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -2.063 6.040 0.990) 6.459 1.942 ( 0.703 0.873 -0.698) 1.320 2.020 ( 3.046 -0.925 -1.593) 3.559 2.425 ( -2.145 -2.363 1.938) 3.734 3.091 ( -5.175 16.944 -0.518) 17.725 3.877 ( 3.679 -4.403 0.672) 5.777 5.939 ( 2.380 0.581 0.194) 2.457 5.967 ( -0.987 5.074 0.853) 5.239 6.239 ( 1.891 -1.484 -3.044) 3.879 6.602 ( -6.709 5.674 1.942) 8.999 6.821 ( 0.069 0.337 -0.963) 1.022 7.822 ( 3.195 -5.327 -0.122) 6.213 ======================= Grid point 269 (100/288) ======================= q-point: (-0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( -4.762 3.987 0.805) 6.263 1.950 ( 0.354 -0.577 -0.239) 0.718 2.038 ( 1.705 -2.584 -1.685) 3.525 2.384 ( -1.193 -0.384 1.245) 1.766 3.085 ( -12.303 12.723 -0.625) 17.709 3.886 ( 2.252 -4.921 0.883) 5.484 5.921 ( -2.131 -1.243 0.301) 2.486 5.994 ( -2.526 1.828 1.020) 3.281 6.285 ( 4.850 0.128 -2.419) 5.421 6.584 ( -4.609 9.212 1.834) 10.463 6.811 ( -0.084 -1.276 -1.117) 1.698 7.840 ( 4.458 -4.566 0.304) 6.388 ======================= Grid point 270 (101/288) ======================= q-point: (-0.21 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -6.833 0.519 0.982) 6.923 1.937 ( -1.445 -0.529 0.341) 1.577 2.031 ( 0.469 -1.499 -1.602) 2.244 2.379 ( -0.174 0.341 1.080) 1.146 2.938 ( -13.602 5.681 -0.510) 14.750 3.838 ( -4.397 -2.525 0.398) 5.086 5.862 ( -4.393 -0.426 0.633) 4.459 5.928 ( -4.297 -0.798 0.379) 4.387 6.337 ( -1.024 1.510 -1.394) 2.296 6.650 ( 3.025 7.043 -1.119) 7.746 6.808 ( 2.814 -2.890 0.740) 4.101 7.888 ( 5.029 -2.521 0.152) 5.627 ======================= Grid point 271 (102/288) ======================= q-point: (-0.14 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -8.104 -1.020 1.235) 8.261 1.875 ( -5.135 -1.109 -0.572) 5.284 2.011 ( -1.349 0.280 -2.076) 2.492 2.350 ( -5.749 0.225 1.852) 6.044 2.783 ( -5.406 0.887 -0.305) 5.486 3.667 ( -13.609 -0.077 0.403) 13.616 5.727 ( -9.894 -0.371 0.577) 9.917 5.886 ( 0.212 -0.631 -0.577) 0.880 6.278 ( -4.605 -0.195 -1.018) 4.720 6.793 ( 4.507 5.349 -4.117) 8.116 6.873 ( 8.976 -3.903 3.711) 10.468 7.965 ( 5.671 -0.842 -0.873) 5.799 ======================= Grid point 272 (103/288) ======================= q-point: (-0.07 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -9.909 0.407 0.725) 9.944 1.714 ( -10.315 -2.851 -3.980) 11.418 1.978 ( -3.209 2.096 -1.121) 3.993 2.185 ( -11.824 -0.066 1.795) 11.959 2.778 ( 2.914 -0.653 -0.840) 3.102 3.376 ( -20.883 3.644 2.217) 21.314 5.541 ( -10.566 -0.027 0.428) 10.575 5.903 ( 2.510 -0.522 -1.834) 3.152 6.200 ( -2.418 -1.566 -0.515) 2.927 6.871 ( 1.878 2.500 -1.294) 3.384 7.058 ( 13.252 -2.834 1.783) 13.668 8.054 ( 5.558 -0.703 -2.741) 6.237 ======================= Grid point 278 (104/288) ======================= q-point: ( 0.36 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 0.000 1.544 -0.900) 1.787 1.730 ( 0.000 11.453 -1.241) 11.520 1.974 ( 0.000 2.817 -1.078) 3.016 1.974 ( -0.000 13.161 0.169) 13.162 2.627 ( 0.000 -2.489 -3.016) 3.910 3.273 ( -0.000 23.240 4.217) 23.619 5.451 ( 0.000 7.881 -0.055) 7.881 5.989 ( 0.000 -1.201 -1.776) 2.144 6.123 ( -0.000 -0.477 0.047) 0.479 6.613 ( 0.000 -2.263 -3.726) 4.359 7.230 ( -0.000 -13.165 1.352) 13.234 8.180 ( 0.000 -2.097 -2.727) 3.439 ======================= Grid point 279 (105/288) ======================= q-point: ( 0.43 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 1.708 1.798 -0.986) 2.669 1.820 ( -0.545 8.481 -4.285) 9.518 1.955 ( -1.400 1.455 -1.230) 2.364 2.190 ( 7.467 11.069 0.123) 13.353 2.613 ( 2.003 -3.091 1.098) 3.843 3.533 ( 2.503 19.727 2.585) 20.053 5.568 ( 4.683 7.181 -0.100) 8.573 5.949 ( -2.745 0.339 -2.393) 3.657 6.149 ( 2.038 1.270 -0.372) 2.430 6.591 ( 1.642 -3.639 -1.366) 4.219 7.089 ( -1.753 -11.569 0.398) 11.708 8.113 ( -4.293 -1.799 -2.265) 5.177 ======================= Grid point 280 (106/288) ======================= q-point: ( 0.50 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 4.058 3.070 0.715) 5.139 1.868 ( 0.247 5.394 -5.716) 7.863 1.951 ( -0.341 0.787 0.540) 1.014 2.418 ( 4.876 6.744 1.875) 8.531 2.670 ( 7.826 0.771 0.987) 7.926 3.747 ( 1.630 13.031 0.920) 13.165 5.747 ( 6.674 6.860 0.352) 9.577 5.905 ( -2.455 2.013 -1.894) 3.697 6.200 ( 1.882 1.623 -1.980) 3.178 6.591 ( 3.194 -3.663 0.167) 4.863 6.946 ( -2.498 -8.745 0.128) 9.096 7.991 ( -6.509 -1.461 -1.828) 6.917 ======================= Grid point 281 (107/288) ======================= q-point: ( 0.57 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 4.090 4.043 1.347) 5.907 1.916 ( 1.846 3.002 -3.107) 4.698 1.953 ( -0.623 0.768 0.533) 1.124 2.473 ( -0.566 -1.019 2.406) 2.674 2.927 ( 12.790 9.179 0.066) 15.743 3.844 ( -1.403 5.084 -0.140) 5.276 5.881 ( 0.465 3.699 -0.009) 3.728 5.934 ( 3.266 5.065 -0.074) 6.027 6.217 ( 0.170 -0.788 -3.035) 3.140 6.645 ( 5.133 -0.377 0.479) 5.169 6.836 ( -1.996 -4.728 0.559) 5.163 7.858 ( -5.711 -1.844 -1.321) 6.145 ======================= Grid point 282 (108/288) ======================= q-point: ( 0.64 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 1.717 4.983 0.738) 5.322 1.948 ( -0.285 -0.209 0.100) 0.367 1.963 ( 1.533 0.228 -0.813) 1.750 2.439 ( -1.551 -1.973 1.258) 2.808 3.243 ( 8.489 13.494 0.119) 15.942 3.806 ( -3.013 -3.686 -0.271) 4.769 5.927 ( 1.031 2.468 0.542) 2.729 6.019 ( 0.825 4.103 0.404) 4.204 6.182 ( 0.054 -3.376 -2.652) 4.293 6.726 ( -0.039 3.773 0.574) 3.817 6.803 ( 1.842 -0.914 0.288) 2.077 7.758 ( -2.095 -3.023 -0.691) 3.742 ======================= Grid point 283 (109/288) ======================= q-point: (-0.29 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -3.375 4.676 0.728) 5.812 1.941 ( 0.062 -0.182 -0.124) 0.229 1.971 ( 2.251 -2.990 -0.680) 3.804 2.402 ( -1.184 -0.832 0.632) 1.579 3.416 ( -8.676 13.776 -0.225) 16.282 3.735 ( 6.152 -9.025 0.250) 10.926 5.939 ( -1.182 -0.345 0.287) 1.264 6.058 ( -1.696 2.639 1.060) 3.311 6.178 ( 4.806 -1.634 -2.084) 5.487 6.743 ( -2.216 4.892 1.657) 5.621 6.813 ( -1.660 -0.605 -1.199) 2.135 7.732 ( 2.617 -2.667 -0.186) 3.741 ======================= Grid point 284 (110/288) ======================= q-point: (-0.21 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -6.609 -0.526 0.419) 6.643 1.945 ( 0.064 0.027 0.035) 0.078 2.000 ( 1.951 0.622 -0.620) 2.140 2.385 ( -0.277 -0.287 0.848) 0.937 3.237 ( -15.665 0.332 0.080) 15.669 3.817 ( 4.668 -0.415 -0.144) 4.689 5.903 ( -2.211 -0.125 0.377) 2.247 6.013 ( -4.109 -0.634 -0.016) 4.158 6.283 ( 6.043 1.014 -1.428) 6.292 6.723 ( -4.433 -3.102 -0.576) 5.441 6.767 ( -0.293 2.945 1.175) 3.184 7.785 ( 4.669 -0.163 -0.378) 4.687 ======================= Grid point 285 (111/288) ======================= q-point: (-0.14 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -6.983 -1.421 0.365) 7.136 1.930 ( -2.201 -0.106 -0.526) 2.265 2.028 ( -0.164 2.122 -1.682) 2.713 2.392 ( 0.524 -0.117 2.320) 2.381 2.946 ( -13.356 -4.910 0.327) 14.233 3.831 ( -4.149 1.929 -0.275) 4.584 5.855 ( -4.516 -0.217 -0.039) 4.521 5.920 ( -4.473 0.004 -0.460) 4.496 6.328 ( -1.717 -1.296 -2.191) 3.071 6.673 ( 5.808 -5.477 1.009) 8.047 6.803 ( 0.888 2.584 0.377) 2.758 7.875 ( 4.593 1.775 -1.126) 5.051 ======================= Grid point 286 (112/288) ======================= q-point: (-0.07 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -7.125 0.233 -0.327) 7.136 1.839 ( -7.394 -0.587 -3.571) 8.232 2.031 ( -1.236 2.295 -1.786) 3.160 2.364 ( -6.549 -0.279 2.430) 6.991 2.741 ( -2.327 -4.695 1.400) 5.424 3.713 ( -12.199 3.831 0.624) 12.801 5.713 ( -9.118 -1.285 0.007) 9.208 5.886 ( -0.978 1.447 -2.097) 2.729 6.233 ( -3.950 -2.809 -1.072) 4.964 6.790 ( 11.483 -6.584 3.576) 13.711 6.857 ( 2.859 2.637 -2.546) 4.649 7.967 ( 3.993 1.930 -2.152) 4.929 ======================= Grid point 293 (113/288) ======================= q-point: ( 0.43 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 0.000 0.709 -2.305) 2.411 1.873 ( 0.000 3.629 -8.936) 9.645 1.966 ( 0.000 0.387 -0.521) 0.649 2.229 ( -0.000 10.537 0.805) 10.568 2.574 ( -0.000 -3.043 4.519) 5.448 3.713 ( -0.000 17.310 1.867) 17.411 5.578 ( 0.000 4.660 -0.846) 4.736 5.975 ( 0.000 1.272 -3.945) 4.145 6.151 ( -0.000 2.726 0.746) 2.826 6.542 ( -0.000 -3.447 1.245) 3.664 6.989 ( 0.000 -10.296 -0.952) 10.340 8.131 ( 0.000 -1.375 -1.662) 2.157 ======================= Grid point 294 (114/288) ======================= q-point: ( 0.50 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 3.805 1.191 -1.098) 4.136 1.860 ( 1.040 -0.137 -8.422) 8.488 1.982 ( -0.564 2.405 1.087) 2.699 2.393 ( 6.387 7.879 0.478) 10.154 2.571 ( 2.217 -2.775 4.239) 5.530 3.872 ( -0.085 12.288 0.762) 12.312 5.675 ( 6.435 3.662 -0.654) 7.433 5.960 ( -1.937 2.148 -3.438) 4.493 6.193 ( 0.855 2.783 -0.072) 2.912 6.522 ( 1.061 -3.229 2.374) 4.146 6.885 ( -0.704 -7.738 -1.328) 7.882 8.076 ( -4.267 -0.818 -1.263) 4.525 ======================= Grid point 295 (115/288) ======================= q-point: ( 0.57 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 6.152 1.724 0.208) 6.392 1.878 ( 2.809 0.252 -3.594) 4.569 1.991 ( -1.102 1.855 0.467) 2.208 2.487 ( -0.795 -0.234 2.080) 2.239 2.734 ( 14.697 3.608 0.598) 15.145 3.948 ( -2.562 6.472 -0.121) 6.961 5.851 ( 8.214 3.410 -0.244) 8.898 5.944 ( -1.297 2.543 -1.763) 3.356 6.215 ( -0.684 0.810 -0.943) 1.418 6.540 ( 4.151 -2.355 1.654) 5.051 6.810 ( -0.463 -4.054 -0.608) 4.125 7.965 ( -6.936 -0.349 -0.942) 7.009 ======================= Grid point 296 (116/288) ======================= q-point: ( 0.64 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 5.948 1.413 -0.071) 6.113 1.922 ( 1.899 0.162 -0.281) 1.926 1.985 ( -1.325 0.998 0.196) 1.670 2.453 ( -1.732 -1.396 0.631) 2.312 3.072 ( 17.937 3.945 0.258) 18.368 3.904 ( -6.898 1.372 -0.430) 7.047 5.947 ( -0.289 2.106 0.034) 2.126 6.002 ( 4.892 1.906 -0.675) 5.293 6.180 ( -2.685 -0.889 -0.372) 2.852 6.645 ( 8.662 -0.421 0.007) 8.672 6.783 ( 0.027 -0.855 0.462) 0.972 7.831 ( -7.208 -0.310 -0.499) 7.231 ======================= Grid point 297 (117/288) ======================= q-point: (-0.29 -0.57 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 5.097 -0.265 -0.347) 5.115 1.937 ( -0.068 -0.001 0.121) 0.139 1.957 ( -2.634 0.150 0.248) 2.650 2.416 ( -1.276 -0.608 -0.263) 1.438 3.411 ( 16.850 -0.258 0.078) 16.852 3.740 ( -11.661 0.347 -0.096) 11.666 5.950 ( -0.237 -0.445 -0.286) 0.579 6.085 ( 3.187 -1.737 -0.927) 3.746 6.125 ( -2.399 3.060 1.459) 4.153 6.774 ( 0.443 0.406 -0.273) 0.660 6.790 ( 4.793 -0.931 0.148) 4.885 7.727 ( -3.609 0.413 0.088) 3.634 ======================= Grid point 298 (118/288) ======================= q-point: (-0.21 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -3.289 -5.180 -0.315) 6.144 1.943 ( 0.130 0.263 0.034) 0.295 1.981 ( 2.415 3.720 0.324) 4.447 2.393 ( -0.907 -0.240 -0.294) 0.983 3.419 ( -8.206 -13.627 0.114) 15.908 3.731 ( 5.539 8.847 -0.121) 10.438 5.937 ( -0.693 0.080 0.048) 0.699 6.041 ( -1.598 -3.271 -0.648) 3.698 6.208 ( 3.704 3.823 1.019) 5.420 6.718 ( -3.191 -5.839 -0.856) 6.709 6.830 ( -0.389 0.757 0.564) 1.021 7.734 ( 2.169 2.924 0.079) 3.642 ======================= Grid point 299 (119/288) ======================= q-point: (-0.14 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -4.612 -4.146 -0.112) 6.203 1.951 ( -0.017 0.805 -0.068) 0.808 2.053 ( 0.928 3.806 -0.197) 3.922 2.379 ( 0.232 -0.799 0.800) 1.154 3.094 ( -12.157 -12.511 0.316) 17.448 3.873 ( 2.090 4.520 -0.454) 5.000 5.923 ( -2.756 1.314 0.534) 3.099 5.974 ( -2.015 -2.235 -1.047) 3.186 6.303 ( 2.856 1.275 -0.639) 3.193 6.565 ( -2.620 -9.619 0.082) 9.970 6.827 ( -0.664 0.901 0.549) 1.246 7.832 ( 3.796 4.485 -0.517) 5.898 ======================= Grid point 300 (120/288) ======================= q-point: (-0.07 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -4.608 -2.124 -0.362) 5.087 1.938 ( -3.490 1.664 -1.744) 4.241 2.078 ( -1.794 3.482 -2.106) 4.447 2.400 ( 1.923 -0.770 3.252) 3.855 2.775 ( -9.238 -10.917 0.657) 14.316 3.892 ( -4.210 3.442 -0.116) 5.439 5.826 ( -6.298 -3.106 -0.185) 7.024 5.946 ( -2.689 3.537 -1.430) 4.667 6.272 ( -3.993 -2.479 -1.739) 5.011 6.536 ( 8.735 -8.108 2.050) 12.093 6.838 ( 0.972 0.796 -0.550) 1.371 7.936 ( 2.919 4.186 -0.977) 5.196 ======================= Grid point 308 (121/288) ======================= q-point: ( 0.50 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 0.000 0.663 -1.176) 1.350 1.813 ( 0.000 -1.123 -6.356) 6.454 2.013 ( -0.000 1.909 0.753) 2.052 2.398 ( -0.000 5.588 0.349) 5.599 2.543 ( -0.000 -2.794 3.804) 4.720 3.984 ( -0.000 8.649 0.112) 8.650 5.636 ( 0.000 1.823 -0.553) 1.905 5.989 ( 0.000 2.313 -3.305) 4.034 6.219 ( -0.000 2.829 0.451) 2.864 6.492 ( -0.000 -2.798 2.340) 3.647 6.818 ( 0.000 -5.285 -1.334) 5.451 8.105 ( 0.000 -0.482 -0.882) 1.005 ======================= Grid point 309 (122/288) ======================= q-point: ( 0.57 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 4.763 0.684 -0.257) 4.819 1.821 ( 2.524 0.746 -1.627) 3.094 2.023 ( -0.669 0.915 0.547) 1.259 2.496 ( 1.713 1.388 0.283) 2.223 2.546 ( 6.720 -0.999 1.355) 6.928 4.038 ( -1.318 4.020 -0.517) 4.262 5.720 ( 7.473 1.227 -0.151) 7.575 5.991 ( -1.487 2.259 -1.130) 2.932 6.239 ( -0.469 1.296 -0.105) 1.382 6.476 ( 1.011 -2.438 0.300) 2.656 6.779 ( 0.067 -1.980 -0.077) 1.982 8.062 ( -4.116 -0.046 -0.649) 4.167 ======================= Grid point 310 (123/288) ======================= q-point: (-0.36 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 6.506 -0.137 -0.458) 6.524 1.888 ( 2.771 1.680 1.457) 3.553 2.014 ( -1.061 0.027 0.623) 1.231 2.470 ( -1.569 -1.312 -0.791) 2.193 2.777 ( 16.363 -0.117 0.315) 16.367 4.011 ( -3.899 0.015 -0.742) 3.969 5.885 ( 8.901 0.073 -0.366) 8.909 5.979 ( -1.585 0.997 0.562) 1.955 6.226 ( -1.875 0.541 0.514) 2.018 6.504 ( 5.151 -1.036 -1.351) 5.425 6.777 ( 0.244 0.417 0.871) 0.996 7.962 ( -6.958 0.329 -0.307) 6.973 ======================= Grid point 311 (124/288) ======================= q-point: (-0.29 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 5.964 -1.975 -0.889) 6.345 1.935 ( 0.639 0.784 0.881) 1.341 1.992 ( -1.305 -0.637 1.030) 1.781 2.431 ( -1.224 -0.327 -1.706) 2.125 3.072 ( 17.794 -4.082 0.243) 18.257 3.905 ( -6.593 -1.079 -0.327) 6.689 5.939 ( -0.343 -2.159 -0.721) 2.302 6.009 ( 3.898 -1.709 0.032) 4.256 6.207 ( -2.083 2.999 2.471) 4.409 6.633 ( 9.445 -0.226 -1.331) 9.541 6.785 ( -0.718 0.577 0.586) 1.092 7.839 ( -7.056 1.122 0.340) 7.153 ======================= Grid point 312 (125/288) ======================= q-point: (-0.21 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 1.947 -5.796 -0.932) 6.185 1.946 ( -0.069 0.169 -0.095) 0.206 1.982 ( 0.921 1.126 1.192) 1.881 2.410 ( -1.015 0.678 -1.726) 2.114 3.240 ( 8.540 -13.292 -0.166) 15.800 3.812 ( -3.161 3.590 0.331) 4.795 5.914 ( 0.958 -2.298 -0.775) 2.608 6.014 ( 0.606 -4.063 -0.152) 4.110 6.239 ( -0.292 4.776 3.197) 5.754 6.718 ( -1.426 -4.364 -0.116) 4.592 6.791 ( 3.318 0.919 -1.102) 3.616 7.773 ( -2.437 3.477 0.854) 4.331 ======================= Grid point 313 (126/288) ======================= q-point: (-0.14 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -1.519 -6.080 -0.300) 6.274 1.950 ( 0.764 0.126 0.252) 0.815 2.047 ( 3.307 2.045 1.087) 4.037 2.390 ( -1.601 0.722 -1.656) 2.414 3.096 ( -4.836 -16.762 -0.022) 17.446 3.871 ( 3.004 4.068 0.066) 5.057 5.930 ( 2.817 -1.704 -0.767) 3.380 5.966 ( -1.327 -3.178 0.710) 3.516 6.290 ( 0.799 2.215 2.155) 3.192 6.571 ( -7.299 -6.174 -1.185) 9.633 6.830 ( 0.829 -0.324 -0.042) 0.891 7.827 ( 2.349 5.326 0.467) 5.840 ======================= Grid point 314 (127/288) ======================= q-point: (-0.07 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -2.297 -3.978 -0.000) 4.593 1.973 ( 0.626 1.084 -0.000) 1.252 2.126 ( 1.743 3.018 -0.000) 3.485 2.366 ( -0.319 -0.553 0.000) 0.639 2.808 ( -8.306 -14.387 -0.000) 16.613 3.944 ( 1.184 2.050 -0.000) 2.367 5.867 ( -3.255 -5.637 -0.000) 6.509 5.998 ( 1.905 3.299 -0.000) 3.809 6.315 ( -0.300 -0.520 0.000) 0.600 6.381 ( -4.035 -6.989 -0.000) 8.071 6.833 ( 0.086 0.149 -0.000) 0.172 7.932 ( 2.804 4.857 -0.000) 5.608 ======================= Grid point 324 (128/288) ======================= q-point: (-0.43 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -0.000 0.562 0.470) 0.733 1.818 ( -0.000 3.172 2.638) 4.126 2.035 ( -0.000 -0.138 0.640) 0.655 2.455 ( 0.000 -0.152 -0.110) 0.187 2.503 ( 0.000 -2.001 -0.741) 2.134 4.068 ( 0.000 -0.113 -1.041) 1.047 5.657 ( -0.000 0.330 0.471) 0.575 6.028 ( -0.000 1.872 1.213) 2.231 6.247 ( 0.000 -0.282 -0.491) 0.566 6.444 ( 0.000 -1.524 -2.503) 2.931 6.774 ( -0.000 0.821 1.322) 1.556 8.098 ( 0.000 0.224 -0.570) 0.613 ======================= Grid point 325 (129/288) ======================= q-point: (-0.36 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 4.068 -0.071 0.491) 4.098 1.888 ( 1.364 4.177 5.192) 6.802 2.025 ( -0.576 -1.199 0.966) 1.644 2.471 ( -0.583 -1.941 -2.582) 3.282 2.530 ( 9.604 -1.851 -0.290) 9.785 4.031 ( -1.191 -4.239 -1.312) 4.594 5.727 ( 7.233 -0.752 0.583) 7.295 6.025 ( -2.266 -0.015 2.312) 3.237 6.239 ( 0.370 -1.126 0.112) 1.190 6.439 ( 1.405 0.759 -3.479) 3.828 6.798 ( -0.224 2.957 1.782) 3.460 8.064 ( -4.007 0.596 -0.433) 4.074 ======================= Grid point 326 (130/288) ======================= q-point: (-0.29 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 5.169 -1.819 -0.494) 5.502 1.946 ( -0.050 1.722 2.545) 3.073 2.000 ( -0.741 -2.131 2.396) 3.291 2.435 ( -0.501 -0.773 -3.379) 3.502 2.732 ( 15.360 -4.006 0.430) 15.880 3.940 ( -2.054 -6.583 -1.008) 6.969 5.849 ( 7.257 -3.415 -0.366) 8.028 5.971 ( -2.325 -2.284 0.961) 3.398 6.247 ( 0.887 0.113 2.500) 2.655 6.506 ( 4.957 3.024 -1.910) 6.112 6.826 ( -1.276 3.740 1.027) 4.082 7.975 ( -6.598 1.108 0.069) 6.690 ======================= Grid point 327 (131/288) ======================= q-point: (-0.21 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 3.680 -5.108 -1.636) 6.505 1.944 ( -0.249 -1.289 -0.457) 1.390 1.979 ( -0.108 -1.090 3.597) 3.760 2.421 ( 0.008 0.463 -3.044) 3.079 2.930 ( 12.541 -8.973 0.343) 15.424 3.844 ( -0.788 -5.292 -0.213) 5.354 5.875 ( 0.950 -3.890 -0.676) 4.061 5.933 ( 1.833 -4.782 -0.184) 5.124 6.284 ( 0.992 0.945 3.925) 4.157 6.640 ( 5.835 2.572 0.017) 6.376 6.823 ( -3.306 3.303 -0.811) 4.743 7.880 ( -5.515 2.550 0.928) 6.147 ======================= Grid point 328 (132/288) ======================= q-point: (-0.14 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 1.619 -6.887 -1.082) 7.156 1.924 ( 0.913 -2.881 0.933) 3.163 2.010 ( 2.407 0.704 2.133) 3.292 2.417 ( -0.468 0.915 -3.055) 3.224 2.948 ( 2.627 -13.911 -0.116) 14.158 3.830 ( 3.567 -2.436 0.125) 4.321 5.856 ( 1.891 -4.000 -0.220) 4.430 5.916 ( 1.945 -4.510 0.343) 4.923 6.303 ( -0.031 -1.678 3.231) 3.641 6.678 ( -6.194 2.462 -0.260) 6.670 6.810 ( 0.788 1.650 -1.039) 2.104 7.864 ( -0.675 4.552 1.324) 4.789 ======================= Grid point 339 (133/288) ======================= q-point: (-0.36 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -0.000 0.152 1.420) 1.428 1.950 ( -0.000 4.987 6.715) 8.364 2.016 ( -0.000 -2.320 2.517) 3.423 2.391 ( 0.000 -5.869 -0.380) 5.881 2.465 ( 0.000 0.610 -4.617) 4.657 3.966 ( 0.000 -9.106 -1.769) 9.277 5.652 ( -0.000 -1.542 1.080) 1.883 6.053 ( -0.000 -1.497 3.166) 3.502 6.204 ( 0.000 -3.058 -1.045) 3.232 6.442 ( 0.000 3.822 -2.687) 4.671 6.850 ( -0.000 5.278 1.858) 5.596 8.108 ( 0.000 1.125 -0.608) 1.279 ======================= Grid point 340 (134/288) ======================= q-point: (-0.29 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 2.407 -1.000 0.628) 2.681 1.963 ( -0.542 -2.747 -0.978) 2.965 2.014 ( -1.522 0.094 7.675) 7.825 2.375 ( 4.208 -6.967 -1.816) 8.339 2.512 ( 5.785 2.663 -1.522) 6.548 3.848 ( 0.344 -12.854 -1.740) 12.976 5.686 ( 5.732 -3.929 0.473) 6.965 6.004 ( -3.149 -2.547 1.036) 4.180 6.197 ( 2.656 -2.802 0.145) 3.864 6.502 ( 1.466 6.174 0.583) 6.372 6.907 ( -1.216 6.708 0.911) 6.878 8.084 ( -3.966 1.694 -0.450) 4.336 ======================= Grid point 341 (135/288) ======================= q-point: (-0.21 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 2.247 -4.321 -1.581) 5.120 1.913 ( 0.122 -4.977 -0.741) 5.033 1.991 ( -1.271 -1.775 4.564) 5.059 2.372 ( 3.462 -5.167 -2.887) 6.857 2.674 ( 9.094 -0.285 1.282) 9.189 3.727 ( 2.496 -13.720 -1.151) 13.993 5.735 ( 5.758 -7.419 -0.890) 9.434 5.925 ( -2.927 -1.787 0.349) 3.447 6.235 ( 3.786 -2.225 1.472) 4.632 6.618 ( 3.197 6.861 3.225) 8.228 6.937 ( -3.589 7.033 -0.951) 7.953 8.012 ( -5.973 2.539 0.360) 6.500 ======================= Grid point 342 (136/288) ======================= q-point: (-0.14 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 2.309 -7.505 -2.267) 8.173 1.866 ( 0.878 -6.212 1.552) 6.463 1.989 ( 1.306 -0.547 2.697) 3.046 2.372 ( 3.279 -5.088 -2.785) 6.663 2.779 ( 4.263 -4.144 0.546) 5.970 3.672 ( 6.458 -11.446 -0.708) 13.161 5.735 ( 4.318 -8.824 -1.040) 9.879 5.879 ( -0.981 -0.664 1.021) 1.564 6.265 ( 1.783 -3.625 1.923) 4.474 6.756 ( 2.915 6.253 4.050) 8.000 6.906 ( -7.155 6.241 -3.388) 10.081 7.954 ( -4.029 3.928 1.583) 5.845 ======================= Grid point 354 (137/288) ======================= q-point: (-0.29 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -0.000 -1.062 0.566) 1.203 1.912 ( 0.000 -6.670 -1.711) 6.885 2.056 ( -0.000 -1.561 4.987) 5.226 2.220 ( 0.000 -10.453 -0.056) 10.453 2.524 ( -0.000 7.351 0.014) 7.351 3.675 ( 0.000 -18.263 -2.085) 18.381 5.591 ( -0.000 -5.228 0.503) 5.252 6.014 ( 0.000 -2.325 -0.007) 2.325 6.139 ( 0.000 -2.178 -0.489) 2.232 6.563 ( -0.000 6.809 3.634) 7.718 7.000 ( -0.000 8.758 0.169) 8.760 8.139 ( 0.000 2.467 -0.813) 2.598 ======================= Grid point 355 (138/288) ======================= q-point: (-0.21 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -0.192 -3.931 -1.867) 4.356 1.831 ( 0.931 -8.693 -2.312) 9.044 2.000 ( -1.962 -4.884 2.825) 5.973 2.181 ( 6.205 -10.455 -0.928) 12.193 2.634 ( 2.258 7.677 3.296) 8.655 3.490 ( 3.105 -21.080 -1.885) 21.391 5.565 ( 3.862 -7.844 -0.427) 8.754 5.967 ( -2.677 -0.560 -0.437) 2.770 6.154 ( 3.015 -1.013 0.135) 3.183 6.660 ( 1.613 6.299 5.903) 8.782 7.075 ( -2.370 9.821 -1.227) 10.178 8.131 ( -3.782 3.152 -0.496) 4.948 ======================= Grid point 356 (139/288) ======================= q-point: (-0.14 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 0.073 -9.054 -4.246) 10.000 1.767 ( 2.144 -9.134 0.434) 9.392 1.954 ( 1.354 -3.844 2.585) 4.826 2.186 ( 6.536 -10.276 -1.848) 12.318 2.744 ( 1.296 4.585 3.005) 5.633 3.371 ( 8.474 -20.125 -1.836) 21.913 5.551 ( 4.833 -9.561 -1.061) 10.765 5.922 ( -2.745 1.341 0.540) 3.102 6.199 ( 2.607 -1.493 0.642) 3.072 6.776 ( 2.745 5.032 5.748) 8.118 7.100 ( -5.844 10.036 -2.853) 11.959 8.083 ( -5.138 3.956 0.910) 6.548 ======================= Grid point 369 (140/288) ======================= q-point: (-0.21 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 0.000 -5.143 -3.454) 6.195 1.694 ( 0.000 -12.715 -5.384) 13.808 1.976 ( 0.000 -6.835 -0.063) 6.835 1.993 ( -0.000 -11.268 2.060) 11.455 2.718 ( -0.000 8.336 5.651) 10.071 3.209 ( 0.000 -25.733 -2.149) 25.823 5.447 ( 0.000 -8.445 -0.402) 8.455 5.992 ( 0.000 1.096 -1.298) 1.699 6.127 ( -0.000 1.002 0.402) 1.080 6.721 ( -0.000 4.601 7.677) 8.950 7.203 ( 0.000 11.453 -1.797) 11.593 8.197 ( 0.000 3.625 -1.034) 3.769 ======================= Grid point 370 (141/288) ======================= q-point: (-0.14 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -3.459 -11.774 -7.238) 14.247 1.594 ( 4.797 -12.702 -3.496) 14.020 1.879 ( 0.808 -7.796 2.726) 8.298 1.971 ( 5.503 -9.371 -0.402) 10.874 2.808 ( -0.301 4.726 6.772) 8.263 2.988 ( 6.380 -24.970 -3.582) 26.020 5.383 ( 2.809 -9.038 -0.730) 9.493 5.991 ( -2.045 3.214 -0.472) 3.838 6.161 ( 1.598 1.381 0.404) 2.151 6.797 ( 1.612 2.773 7.579) 8.230 7.287 ( -3.418 12.000 -2.596) 12.744 8.202 ( -3.231 3.887 -0.374) 5.068 ======================= Grid point 384 (142/288) ======================= q-point: (-0.14 -0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 0.000 -13.587 -8.444) 15.998 1.338 ( 0.000 -17.576 -9.316) 19.892 1.785 ( -0.000 -12.666 1.092) 12.713 1.831 ( -0.000 -6.314 4.290) 7.633 2.626 ( -0.000 -29.113 0.415) 29.116 2.902 ( -0.000 6.049 2.852) 6.688 5.268 ( 0.000 -8.304 -0.502) 8.319 6.048 ( 0.000 4.858 -0.732) 4.913 6.173 ( -0.000 2.981 0.566) 3.034 6.823 ( -0.000 0.466 8.594) 8.606 7.439 ( 0.000 12.892 -2.568) 13.145 8.265 ( 0.000 3.396 -1.169) 3.592 ======================= Grid point 431 (143/288) ======================= q-point: ( 0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( -0.000 0.000 21.640) 21.640 0.399 ( -0.000 0.000 21.640) 21.640 0.747 ( -0.000 0.000 40.893) 40.893 1.682 ( 0.000 -0.000 -3.815) 3.815 1.682 ( 0.000 -0.000 -3.815) 3.815 3.505 ( 0.000 -0.000 -10.908) 10.908 5.007 ( -0.000 0.000 0.973) 0.973 5.007 ( -0.000 0.000 0.973) 0.973 6.316 ( 0.000 -0.000 -0.592) 0.592 6.316 ( 0.000 -0.000 -0.592) 0.592 8.068 ( -0.000 0.000 1.695) 1.695 8.402 ( 0.000 -0.000 -0.608) 0.608 ======================= Grid point 432 (144/288) ======================= q-point: ( 0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 8.388 4.843 13.715) 16.790 0.635 ( 6.621 3.822 21.691) 22.999 1.202 ( 23.781 13.730 25.775) 37.662 1.709 ( 2.307 1.332 -3.101) 4.088 1.730 ( 6.101 3.523 -5.945) 9.218 3.096 ( -9.631 -5.561 -1.134) 11.179 5.041 ( 2.555 1.475 1.064) 3.136 6.085 ( 37.611 21.715 -36.341) 56.628 6.274 ( -2.185 -1.261 -1.869) 3.140 6.293 ( -1.729 -0.998 -0.615) 2.089 8.014 ( -6.743 -3.893 4.190) 8.842 8.292 ( -4.676 -2.700 -0.102) 5.400 ======================= Grid point 433 (145/288) ======================= q-point: ( 0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 12.714 7.340 5.664) 15.735 0.871 ( 8.907 5.142 12.545) 16.222 1.716 ( 10.699 6.177 8.551) 15.025 1.774 ( 4.041 2.333 -2.165) 5.144 2.027 ( 22.712 13.113 -0.097) 26.226 2.969 ( -1.685 -0.973 -4.762) 5.144 5.131 ( 4.840 2.794 0.904) 5.661 6.140 ( -5.969 -3.446 -1.463) 7.046 6.238 ( -2.606 -1.505 -0.565) 3.062 6.603 ( 15.645 9.033 -17.996) 25.499 7.796 ( -12.146 -7.012 6.717) 15.550 8.204 ( -3.230 -1.865 -4.740) 6.031 ======================= Grid point 434 (146/288) ======================= q-point: ( 0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 11.258 6.500 1.509) 13.087 1.120 ( 10.207 5.893 3.354) 12.254 1.891 ( 5.171 2.986 -0.018) 5.971 1.891 ( 6.374 3.680 -0.981) 7.426 2.564 ( 17.897 10.333 -0.891) 20.685 3.002 ( 6.936 4.005 0.727) 8.042 5.269 ( 6.517 3.762 0.524) 7.543 5.990 ( -5.932 -3.425 -1.810) 7.085 6.178 ( -2.144 -1.238 -0.377) 2.504 6.820 ( 6.844 3.951 -8.626) 11.699 7.506 ( -13.960 -8.060 5.523) 17.039 8.105 ( -3.471 -2.004 -5.053) 6.450 ======================= Grid point 435 (147/288) ======================= q-point: ( 0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 7.544 4.355 -0.753) 8.743 1.369 ( 10.755 6.210 -2.143) 12.603 1.983 ( 3.080 1.778 -1.327) 3.796 2.065 ( 8.214 4.742 0.019) 9.485 2.757 ( 1.691 0.977 -2.058) 2.837 3.333 ( 16.849 9.728 3.807) 19.825 5.429 ( 6.710 3.874 -0.047) 7.748 5.875 ( -2.877 -1.661 -2.074) 3.916 6.145 ( -0.499 -0.288 0.042) 0.578 6.888 ( 1.105 0.638 -5.926) 6.061 7.177 ( -15.013 -8.668 3.624) 17.710 8.033 ( -1.427 -0.824 -2.598) 3.077 ======================= Grid point 436 (148/288) ======================= q-point: ( 0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 4.403 2.542 -1.530) 5.309 1.611 ( 10.619 6.131 -4.654) 13.115 2.037 ( 1.964 1.134 -1.406) 2.668 2.256 ( 7.473 4.314 0.380) 8.637 2.720 ( -4.194 -2.422 1.096) 4.966 3.694 ( 12.314 7.109 2.220) 14.391 5.569 ( 5.047 2.914 -0.716) 5.872 5.858 ( 2.095 1.210 -2.016) 3.149 6.157 ( 1.283 0.741 0.655) 1.620 6.810 ( -11.369 -6.564 -4.046) 13.737 6.887 ( -4.387 -2.533 1.564) 5.302 8.020 ( 0.448 0.259 -0.170) 0.544 ======================= Grid point 437 (149/288) ======================= q-point: ( 0.57 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 2.384 1.376 -1.420) 3.098 1.833 ( 9.357 5.402 -5.769) 12.248 2.074 ( 1.859 1.073 -1.845) 2.831 2.398 ( 4.233 2.444 0.362) 4.901 2.582 ( -7.587 -4.380 2.908) 9.231 3.916 ( 6.079 3.510 1.862) 7.262 5.657 ( 2.701 1.559 -1.101) 3.307 5.958 ( 6.678 3.856 -1.987) 7.963 6.195 ( 1.362 0.786 1.070) 1.902 6.508 ( -11.972 -6.912 0.968) 13.858 6.841 ( -0.822 -0.475 -1.642) 1.896 8.038 ( 0.709 0.410 0.866) 1.192 ======================= Grid point 438 (150/288) ======================= q-point: (-0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 0.887 0.512 -0.869) 1.344 1.982 ( 3.368 1.945 -2.860) 4.827 2.136 ( 4.770 2.754 -5.784) 7.987 2.413 ( -6.626 -3.825 4.211) 8.733 2.447 ( -0.255 -0.147 0.214) 0.364 3.991 ( -0.233 -0.135 2.041) 2.058 5.692 ( 0.572 0.330 -0.954) 1.160 6.126 ( 5.528 3.191 -3.043) 7.071 6.211 ( -0.499 -0.288 0.995) 1.150 6.292 ( -4.555 -2.630 3.818) 6.499 6.837 ( 0.892 0.515 -1.141) 1.537 8.053 ( 0.321 0.186 1.267) 1.320 ======================= Grid point 439 (151/288) ======================= q-point: (-0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -0.566 -0.327 0.051) 0.655 1.979 ( -3.002 -1.733 1.045) 3.621 2.161 ( -2.982 -1.722 -0.336) 3.460 2.386 ( -4.842 -2.795 -0.084) 5.592 2.404 ( 6.365 3.675 -3.215) 8.022 3.910 ( -7.334 -4.234 1.692) 8.636 5.676 ( -1.896 -1.095 -0.393) 2.224 6.064 ( -5.258 -3.036 2.496) 6.565 6.179 ( -2.082 -1.202 0.488) 2.453 6.434 ( 10.452 6.034 -2.202) 12.268 6.880 ( 3.090 1.784 -0.102) 3.569 8.067 ( 0.598 0.345 1.977) 2.094 ======================= Grid point 440 (152/288) ======================= q-point: (-0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -2.514 -1.451 1.619) 3.324 1.852 ( -8.286 -4.784 5.234) 10.906 2.083 ( -3.540 -2.044 0.924) 4.191 2.227 ( -8.300 -4.792 -0.773) 9.615 2.582 ( 8.754 5.054 -5.330) 11.427 3.649 ( -15.297 -8.832 0.595) 17.673 5.594 ( -5.141 -2.968 0.254) 5.942 5.979 ( -2.418 -1.396 3.300) 4.323 6.135 ( -1.256 -0.725 -0.171) 1.461 6.658 ( 8.909 5.144 -6.297) 12.062 6.990 ( 6.239 3.602 1.570) 7.373 8.103 ( 2.032 1.173 2.959) 3.776 ======================= Grid point 441 (153/288) ======================= q-point: (-0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -6.123 -3.535 4.498) 8.379 1.633 ( -12.001 -6.929 8.111) 16.057 1.979 ( -5.820 -3.360 -0.651) 6.752 2.014 ( -8.803 -5.082 -2.342) 10.431 2.762 ( 7.439 4.295 -3.800) 9.393 3.201 ( -22.445 -12.959 -0.406) 25.920 5.443 ( -7.410 -4.278 0.526) 8.572 5.975 ( 1.331 0.768 2.309) 2.773 6.131 ( 0.987 0.570 -0.522) 1.253 6.793 ( 4.371 2.523 -8.025) 9.480 7.185 ( 9.625 5.557 2.153) 11.321 8.179 ( 3.439 1.986 2.955) 4.950 ======================= Grid point 446 (154/288) ======================= q-point: ( 0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -0.000 17.678 11.572) 21.129 0.775 ( -0.000 15.113 17.208) 22.902 1.185 ( -0.000 16.511 31.222) 35.319 1.639 ( 0.000 -0.048 -6.352) 6.352 1.771 ( 0.000 9.906 -3.899) 10.646 3.090 ( 0.000 -12.052 -3.102) 12.444 5.041 ( -0.000 2.882 1.052) 3.068 5.958 ( 0.000 41.692 -31.016) 51.964 6.284 ( 0.000 -0.952 -2.381) 2.564 6.289 ( 0.000 -2.152 -0.713) 2.267 8.021 ( -0.000 -7.775 3.832) 8.668 8.306 ( 0.000 -4.086 -0.659) 4.139 ======================= Grid point 447 (155/288) ======================= q-point: ( 0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -0.739 20.345 6.778) 21.457 0.936 ( -0.635 12.147 17.869) 21.616 1.614 ( 13.034 10.364 15.655) 22.855 1.678 ( 6.738 1.819 -4.978) 8.572 1.932 ( 6.666 17.989 -2.424) 19.337 2.961 ( -1.781 -4.205 -6.152) 7.662 5.105 ( 2.629 4.366 1.077) 5.209 6.169 ( -1.757 -3.801 -2.348) 4.801 6.248 ( -0.974 -2.263 -0.854) 2.607 6.412 ( 11.624 17.834 -19.984) 29.198 7.880 ( -5.861 -11.753 5.924) 14.408 8.240 ( -3.391 -1.058 -3.855) 5.242 ======================= Grid point 448 (156/288) ======================= q-point: ( 0.36 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 1.244 13.210 10.942) 17.198 1.134 ( 3.584 14.595 3.124) 15.350 1.778 ( 7.289 2.272 -3.161) 8.263 1.876 ( 4.438 6.204 1.627) 7.799 2.387 ( 17.034 18.231 1.176) 24.978 2.936 ( 3.571 1.242 -3.070) 4.870 5.225 ( 4.508 5.977 0.984) 7.551 6.044 ( -5.209 -4.777 -1.510) 7.228 6.200 ( -1.705 -1.622 -0.612) 2.431 6.685 ( 9.775 6.418 -11.285) 16.251 7.636 ( -9.735 -11.758 5.852) 16.348 8.142 ( -4.507 -1.446 -5.092) 6.952 ======================= Grid point 449 (157/288) ======================= q-point: ( 0.43 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 3.872 8.432 6.204) 11.161 1.350 ( 4.169 13.342 -2.089) 14.134 1.918 ( 5.626 2.003 -1.590) 6.180 2.019 ( 4.941 7.989 -0.360) 9.400 2.705 ( 5.668 4.222 -3.581) 7.923 3.170 ( 14.700 11.206 3.438) 18.801 5.384 ( 5.213 7.245 0.708) 8.954 5.909 ( -4.248 -3.190 -1.641) 5.561 6.162 ( -1.258 0.038 -0.539) 1.369 6.818 ( 4.780 0.307 -7.145) 8.602 7.340 ( -12.542 -10.539 4.320) 16.942 8.042 ( -2.746 -2.005 -3.435) 4.833 ======================= Grid point 450 (158/288) ======================= q-point: ( 0.50 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 3.491 6.013 1.888) 7.205 1.545 ( 5.352 10.717 -3.308) 12.428 1.997 ( 2.960 0.586 -1.436) 3.342 2.213 ( 5.860 9.498 0.312) 11.165 2.748 ( -0.661 -0.721 -0.940) 1.357 3.556 ( 13.574 9.824 2.322) 16.916 5.545 ( 3.976 7.587 0.181) 8.567 5.840 ( -0.399 -0.551 -1.464) 1.614 6.159 ( 0.091 1.591 -0.191) 1.605 6.827 ( -0.031 -2.715 -6.826) 7.346 7.022 ( -13.103 -7.990 3.708) 15.789 7.996 ( 0.602 -2.196 -0.769) 2.403 ======================= Grid point 451 (159/288) ======================= q-point: ( 0.57 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 1.456 4.624 -0.181) 4.851 1.739 ( 6.769 8.180 -4.061) 11.367 2.040 ( 2.227 0.080 -1.406) 2.635 2.390 ( 3.306 7.830 0.800) 8.536 2.677 ( -5.602 -1.444 0.742) 5.832 3.835 ( 8.596 5.207 1.741) 10.199 5.668 ( 1.316 7.088 -0.436) 7.222 5.880 ( 4.466 1.866 -1.231) 4.994 6.190 ( 1.036 1.986 0.324) 2.264 6.656 ( -11.257 -6.112 -1.781) 12.933 6.847 ( -2.095 -1.742 -0.324) 2.744 8.001 ( 2.325 -2.461 0.688) 3.454 ======================= Grid point 452 (160/288) ======================= q-point: ( 0.64 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -0.053 3.547 -0.628) 3.602 1.909 ( 5.922 4.507 -4.501) 8.697 2.076 ( 2.577 0.486 -2.584) 3.682 2.458 ( -1.980 -0.805 2.512) 3.298 2.570 ( -6.898 5.837 0.317) 9.042 3.976 ( 3.216 0.985 2.027) 3.927 5.733 ( -1.321 6.246 -0.701) 6.422 6.008 ( 7.280 1.537 -1.568) 7.604 6.225 ( 0.711 1.849 0.364) 2.015 6.415 ( -9.756 -2.787 2.113) 10.364 6.822 ( 0.285 -0.302 -1.447) 1.505 8.020 ( 2.334 -2.735 1.101) 3.760 ======================= Grid point 453 (161/288) ======================= q-point: (-0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -1.276 2.271 -0.335) 2.627 1.984 ( 1.002 -0.487 -1.069) 1.544 2.126 ( 3.022 -0.516 -5.282) 6.107 2.380 ( -2.572 -1.546 3.157) 4.356 2.536 ( -7.127 8.546 -0.627) 11.145 3.977 ( -3.126 -2.519 2.070) 4.517 5.744 ( -3.693 4.693 -0.459) 5.989 6.066 ( 0.252 -4.881 -0.098) 4.889 6.252 ( -3.862 1.873 0.005) 4.293 6.348 ( 4.729 5.449 1.381) 7.346 6.841 ( 2.240 0.483 -0.942) 2.477 8.035 ( 2.208 -2.717 1.446) 3.788 ======================= Grid point 454 (162/288) ======================= q-point: (-0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -2.506 0.240 0.634) 2.596 1.939 ( -4.227 -2.749 2.000) 5.425 2.102 ( -1.443 -3.135 -1.420) 3.732 2.342 ( -5.305 -0.836 0.699) 5.415 2.531 ( 0.177 8.747 -3.273) 9.341 3.817 ( -11.153 -5.541 1.417) 12.534 5.690 ( -6.359 1.948 0.097) 6.651 5.995 ( -1.626 -4.311 1.856) 4.967 6.192 ( -4.210 1.748 0.566) 4.593 6.547 ( 8.547 6.645 -4.004) 11.543 6.912 ( 5.275 1.131 0.429) 5.412 8.060 ( 3.126 -2.086 2.020) 4.267 ======================= Grid point 455 (163/288) ======================= q-point: (-0.14 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -4.440 -3.410 2.959) 6.332 1.801 ( -8.929 -2.807 4.204) 10.260 2.021 ( -3.772 -3.520 -1.700) 5.432 2.174 ( -11.533 -0.513 0.409) 11.552 2.668 ( 6.454 5.666 -4.063) 9.501 3.477 ( -19.919 -7.794 0.792) 21.404 5.560 ( -8.767 -0.940 0.576) 8.836 5.957 ( 0.738 -2.043 1.659) 2.733 6.155 ( -2.234 2.285 -0.085) 3.197 6.718 ( 5.598 4.760 -7.011) 10.156 7.061 ( 9.307 2.252 1.936) 9.769 8.119 ( 4.642 -1.123 1.981) 5.170 ======================= Grid point 461 (164/288) ======================= q-point: ( 0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -0.000 18.628 5.675) 19.473 1.176 ( -0.000 14.448 13.133) 19.525 1.611 ( 0.000 2.195 -8.452) 8.732 1.657 ( -0.000 12.676 16.816) 21.058 2.072 ( 0.000 22.017 -1.472) 22.066 2.909 ( 0.000 -4.026 -6.844) 7.941 5.136 ( -0.000 5.874 0.951) 5.951 6.139 ( 0.000 -3.768 -1.407) 4.023 6.227 ( 0.000 -3.305 -0.689) 3.376 6.440 ( 0.000 15.904 -16.184) 22.691 7.810 ( -0.000 -14.370 5.347) 15.332 8.251 ( 0.000 -0.819 -4.497) 4.571 ======================= Grid point 462 (165/288) ======================= q-point: ( 0.36 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -0.909 14.420 4.968) 15.279 1.295 ( -3.612 14.538 8.527) 17.237 1.679 ( 5.723 5.091 -5.480) 9.418 1.863 ( 5.141 6.907 5.263) 10.091 2.377 ( 7.656 22.209 -0.859) 23.508 2.884 ( 2.312 1.267 -3.277) 4.206 5.232 ( 2.815 7.307 0.980) 7.891 6.063 ( -3.084 -4.959 -1.138) 5.949 6.192 ( -0.046 -2.568 -0.606) 2.639 6.583 ( 5.663 7.889 -10.404) 14.232 7.638 ( -4.133 -14.570 4.888) 15.914 8.192 ( -3.791 -1.087 -5.068) 6.422 ======================= Grid point 463 (166/288) ======================= q-point: ( 0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -1.719 8.725 8.157) 12.067 1.451 ( 0.472 14.944 -2.315) 15.129 1.841 ( 5.916 5.130 -0.870) 7.879 2.018 ( 4.873 7.854 -0.322) 9.249 2.645 ( 5.288 6.355 -4.809) 9.565 3.078 ( 10.817 13.968 3.411) 17.992 5.385 ( 4.601 8.843 1.154) 10.035 5.945 ( -4.220 -3.713 -1.464) 5.809 6.172 ( -0.099 -0.604 -0.939) 1.121 6.705 ( 5.557 0.791 -6.397) 8.510 7.409 ( -7.236 -13.091 4.015) 15.488 8.080 ( -5.049 -1.857 -4.321) 6.901 ======================= Grid point 464 (167/288) ======================= q-point: ( 0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 0.611 7.656 5.601) 9.506 1.594 ( 1.591 11.892 -3.841) 12.598 1.945 ( 3.038 1.151 -0.715) 3.327 2.222 ( 6.063 11.593 0.349) 13.087 2.727 ( 2.376 0.817 -2.271) 3.387 3.448 ( 11.968 13.087 2.170) 17.867 5.567 ( 4.384 9.758 1.169) 10.761 5.852 ( -2.382 -1.331 -1.227) 2.992 6.173 ( 0.177 1.511 -1.326) 2.018 6.752 ( 2.918 -2.718 -5.271) 6.609 7.149 ( -9.735 -10.130 3.046) 14.376 7.975 ( -2.444 -2.890 -2.210) 4.383 ======================= Grid point 465 (168/288) ======================= q-point: ( 0.57 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 0.199 6.786 2.865) 7.368 1.735 ( 3.222 9.429 -2.891) 10.376 1.992 ( 2.438 -0.358 -1.055) 2.680 2.422 ( 3.415 8.426 1.428) 9.203 2.749 ( -1.216 3.297 -0.868) 3.620 3.741 ( 8.959 6.891 1.109) 11.357 5.727 ( 2.128 9.211 0.865) 9.493 5.840 ( 1.507 1.346 -0.686) 2.134 6.198 ( 0.651 2.302 -1.372) 2.758 6.717 ( -2.319 -3.709 -4.489) 6.267 6.909 ( -7.839 -5.044 2.342) 9.611 7.928 ( 1.411 -4.049 -0.279) 4.297 ======================= Grid point 466 (169/288) ======================= q-point: ( 0.64 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -1.139 5.957 1.004) 6.148 1.868 ( 3.439 5.955 -2.617) 7.358 2.026 ( 2.549 -0.482 -1.402) 2.949 2.484 ( -1.171 -1.184 2.184) 2.747 2.772 ( -4.823 12.391 -0.879) 13.326 3.912 ( 5.582 1.101 1.350) 5.847 5.832 ( -0.479 8.121 0.511) 8.151 5.915 ( 4.533 1.890 -0.509) 4.938 6.227 ( 0.914 1.461 -1.279) 2.146 6.564 ( -8.859 -1.619 0.188) 9.007 6.819 ( -0.980 -0.616 -0.749) 1.379 7.929 ( 3.418 -4.847 0.539) 5.955 ======================= Grid point 467 (170/288) ======================= q-point: (-0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -2.512 4.777 0.427) 5.415 1.948 ( 2.144 1.215 -1.932) 3.131 2.062 ( 2.390 -0.378 -3.007) 3.859 2.420 ( -2.948 -2.685 2.698) 4.815 2.794 ( -8.530 14.141 -0.812) 16.534 3.972 ( 1.538 -2.596 1.726) 3.477 5.872 ( -3.473 6.302 0.379) 7.206 5.996 ( 3.018 -1.483 -0.335) 3.379 6.263 ( 2.554 1.505 -2.220) 3.703 6.438 ( -6.395 4.222 2.860) 8.179 6.814 ( 0.672 0.184 -1.314) 1.488 7.945 ( 3.741 -5.002 0.789) 6.296 ======================= Grid point 468 (171/288) ======================= q-point: (-0.21 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -3.947 2.505 0.617) 4.715 1.960 ( -0.483 -1.320 0.110) 1.410 2.068 ( 0.748 -2.200 -3.528) 4.225 2.379 ( -0.867 -0.180 2.271) 2.437 2.747 ( -10.782 11.391 -1.113) 15.724 3.917 ( -4.743 -4.219 1.408) 6.502 5.839 ( -6.171 3.535 0.658) 7.142 5.975 ( -1.157 -3.787 0.470) 3.987 6.288 ( -2.439 2.216 -1.339) 3.557 6.487 ( 4.093 7.619 -0.283) 8.653 6.841 ( 3.047 -0.303 -0.461) 3.097 7.967 ( 4.075 -4.387 0.934) 6.060 ======================= Grid point 469 (172/288) ======================= q-point: (-0.14 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -5.422 -0.989 1.863) 5.818 1.903 ( -4.471 -1.742 1.414) 5.002 2.028 ( -1.362 -2.454 -3.249) 4.294 2.349 ( -5.724 0.361 2.043) 6.089 2.689 ( -4.200 7.459 -1.956) 8.781 3.718 ( -13.330 -4.404 0.924) 14.069 5.727 ( -9.290 0.935 0.907) 9.381 5.925 ( -0.060 -3.086 0.457) 3.120 6.244 ( -4.425 2.717 -0.598) 5.227 6.654 ( 5.988 6.503 -4.623) 9.976 6.926 ( 7.278 -0.508 1.601) 7.470 8.011 ( 5.196 -3.233 0.595) 6.149 ======================= Grid point 476 (173/288) ======================= q-point: ( 0.36 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -0.000 4.255 3.393) 5.442 1.454 ( -0.000 15.186 1.144) 15.229 1.699 ( 0.000 12.152 -3.007) 12.519 1.896 ( -0.000 5.610 4.430) 7.148 2.515 ( 0.000 15.841 -4.679) 16.518 2.900 ( -0.000 9.665 1.869) 9.844 5.285 ( -0.000 7.979 0.525) 7.996 6.042 ( 0.000 -4.225 -1.246) 4.405 6.158 ( 0.000 -2.753 -0.382) 2.779 6.579 ( 0.000 5.124 -6.998) 8.674 7.531 ( -0.000 -15.352 3.693) 15.790 8.202 ( 0.000 -1.180 -4.971) 5.109 ======================= Grid point 477 (174/288) ======================= q-point: ( 0.43 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -0.481 3.326 0.483) 3.395 1.592 ( -0.566 12.550 -2.159) 12.747 1.848 ( 1.694 10.115 1.728) 10.400 1.997 ( 5.246 6.136 -1.022) 8.138 2.618 ( 2.306 3.668 -4.155) 6.003 3.120 ( 5.108 19.905 4.507) 21.039 5.403 ( 3.608 8.616 0.485) 9.354 5.970 ( -2.963 -3.017 -1.893) 4.633 6.147 ( 1.162 -1.200 -0.538) 1.755 6.622 ( 2.783 0.617 -3.732) 4.696 7.362 ( -2.728 -14.516 2.628) 15.002 8.137 ( -4.094 -1.416 -4.406) 6.179 ======================= Grid point 478 (175/288) ======================= q-point: ( 0.50 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 1.866 4.437 1.977) 5.204 1.688 ( -0.226 10.320 -4.433) 11.234 1.928 ( 0.797 2.296 0.761) 2.546 2.219 ( 7.976 11.572 -0.006) 14.054 2.675 ( 3.284 0.366 -1.124) 3.490 3.438 ( 6.952 17.143 2.361) 18.649 5.581 ( 5.577 9.280 0.815) 10.858 5.886 ( -3.126 -0.952 -1.767) 3.715 6.166 ( 1.396 0.811 -1.441) 2.163 6.656 ( 3.135 -2.503 -2.211) 4.581 7.166 ( -4.571 -12.235 1.851) 13.191 8.018 ( -5.634 -1.830 -3.191) 6.729 ======================= Grid point 479 (176/288) ======================= q-point: ( 0.57 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 2.042 5.384 2.984) 6.486 1.780 ( 1.431 8.563 -3.672) 9.426 1.954 ( 1.034 0.027 -0.060) 1.036 2.439 ( 4.002 6.864 1.577) 8.100 2.762 ( 4.926 5.067 -0.498) 7.085 3.694 ( 5.521 9.742 0.632) 11.215 5.768 ( 4.089 8.464 1.041) 9.458 5.848 ( -0.605 1.837 -0.883) 2.126 6.197 ( 1.076 1.511 -2.355) 2.998 6.672 ( 2.246 -2.303 -1.890) 3.731 6.974 ( -5.537 -8.267 1.530) 10.067 7.903 ( -3.471 -2.876 -1.634) 4.794 ======================= Grid point 480 (177/288) ======================= q-point: ( 0.64 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -0.011 5.948 1.812) 6.218 1.882 ( 1.778 6.035 -1.422) 6.451 1.972 ( 2.009 -0.917 -0.647) 2.301 2.489 ( -0.591 -1.561 1.657) 2.352 2.942 ( 2.524 14.511 -0.513) 14.738 3.833 ( 3.961 1.438 0.326) 4.227 5.866 ( 2.158 3.377 0.452) 4.033 5.918 ( 1.273 6.258 0.529) 6.409 6.212 ( 0.730 -0.186 -2.617) 2.723 6.668 ( -2.269 1.051 -0.691) 2.594 6.839 ( -2.788 -2.750 0.624) 3.965 7.836 ( 0.529 -4.531 -0.434) 4.583 ======================= Grid point 481 (178/288) ======================= q-point: ( 0.71 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -2.229 5.942 1.128) 6.446 1.935 ( 0.534 1.520 -0.828) 1.811 2.007 ( 2.554 -0.745 -1.353) 2.984 2.441 ( -1.957 -2.762 1.489) 3.698 3.086 ( -5.352 17.112 -0.634) 17.941 3.884 ( 4.075 -4.674 0.865) 6.261 5.941 ( 1.826 0.623 0.178) 1.937 5.976 ( -0.485 5.399 1.129) 5.537 6.213 ( 1.972 -1.675 -2.594) 3.664 6.619 ( -6.181 5.946 1.745) 8.753 6.811 ( -0.280 0.214 -1.236) 1.285 7.821 ( 3.500 -5.525 0.099) 6.541 ======================= Grid point 482 (179/288) ======================= q-point: (-0.21 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -4.804 4.025 1.003) 6.347 1.947 ( 0.520 -0.233 -0.426) 0.711 2.021 ( 1.322 -1.920 -1.979) 3.058 2.398 ( -1.050 -0.908 1.791) 2.266 3.080 ( -12.365 12.938 -0.593) 17.907 3.894 ( 2.318 -5.350 0.847) 5.892 5.926 ( -1.890 -1.281 0.637) 2.370 6.002 ( -2.839 1.865 0.756) 3.480 6.259 ( 4.854 0.439 -3.045) 5.747 6.601 ( -5.039 8.845 2.003) 10.375 6.801 ( 0.329 -1.163 -1.113) 1.643 7.841 ( 4.630 -4.831 0.088) 6.692 ======================= Grid point 483 (180/288) ======================= q-point: (-0.14 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -6.574 0.441 1.421) 6.741 1.940 ( -1.196 -0.699 0.391) 1.439 2.010 ( -0.004 -1.102 -2.990) 3.187 2.396 ( 0.005 0.317 2.459) 2.479 2.934 ( -13.816 6.075 -0.466) 15.099 3.841 ( -4.346 -2.939 0.342) 5.257 5.868 ( -4.155 -0.789 0.761) 4.297 5.931 ( -4.581 -0.933 0.280) 4.683 6.316 ( -0.259 1.458 -3.051) 3.392 6.642 ( 0.959 6.923 -0.528) 7.009 6.816 ( 3.820 -2.178 0.859) 4.481 7.886 ( 5.067 -3.028 -0.430) 5.918 ======================= Grid point 491 (181/288) ======================= q-point: ( 0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 0.000 1.018 -3.058) 3.223 1.705 ( 0.000 10.010 -4.494) 10.973 1.958 ( 0.000 0.720 -2.228) 2.341 1.982 ( -0.000 13.701 1.418) 13.774 2.614 ( -0.000 0.877 0.098) 0.882 3.310 ( -0.000 22.072 3.996) 22.430 5.449 ( 0.000 7.544 -0.290) 7.550 5.966 ( 0.000 -1.763 -3.232) 3.682 6.125 ( -0.000 -0.197 0.282) 0.344 6.593 ( 0.000 -0.792 -0.635) 1.016 7.242 ( -0.000 -14.248 1.112) 14.291 8.150 ( 0.000 -1.197 -3.890) 4.070 ======================= Grid point 492 (182/288) ======================= q-point: ( 0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 2.835 1.756 -1.909) 3.843 1.766 ( -0.239 6.800 -7.379) 10.037 1.950 ( -0.481 1.287 0.093) 1.377 2.192 ( 7.320 11.539 0.284) 13.668 2.630 ( 1.341 -1.002 2.715) 3.190 3.555 ( 2.151 18.791 2.228) 19.045 5.566 ( 5.038 6.882 -0.351) 8.537 5.923 ( -2.209 -0.026 -3.419) 4.070 6.146 ( 1.351 1.386 -0.179) 1.943 6.590 ( 1.271 -2.406 1.224) 2.984 7.091 ( -1.485 -12.522 0.064) 12.610 8.089 ( -4.269 -0.997 -3.053) 5.342 ======================= Grid point 493 (183/288) ======================= q-point: ( 0.57 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 5.097 2.825 0.445) 5.845 1.815 ( 1.612 5.111 -5.902) 7.972 1.958 ( -0.502 1.203 0.890) 1.578 2.431 ( 5.739 7.466 1.009) 9.471 2.684 ( 6.391 0.853 1.870) 6.713 3.754 ( 1.281 12.502 0.544) 12.579 5.749 ( 7.095 6.581 -0.041) 9.677 5.885 ( -1.727 1.986 -2.305) 3.499 6.185 ( 1.080 1.630 -1.268) 2.330 6.599 ( 2.541 -2.656 1.513) 3.975 6.946 ( -1.979 -9.405 -0.152) 9.612 7.973 ( -6.400 -0.925 -2.078) 6.792 ======================= Grid point 494 (184/288) ======================= q-point: ( 0.64 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 4.301 3.425 0.780) 5.553 1.892 ( 2.923 3.819 -2.262) 5.314 1.958 ( -0.889 0.780 0.522) 1.293 2.491 ( -0.787 -1.178 1.541) 2.093 2.929 ( 12.603 9.289 0.292) 15.659 3.843 ( -1.486 4.852 -0.288) 5.083 5.880 ( 0.655 3.675 -0.354) 3.749 5.932 ( 3.998 4.888 -0.289) 6.321 6.195 ( -0.301 -0.366 -1.653) 1.719 6.650 ( 4.451 0.046 0.582) 4.489 6.840 ( -1.489 -4.999 0.390) 5.231 7.847 ( -5.510 -1.599 -1.135) 5.849 ======================= Grid point 495 (185/288) ======================= q-point: ( 0.71 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 1.957 4.517 0.408) 4.939 1.948 ( -0.381 -0.236 0.068) 0.453 1.957 ( 1.408 0.834 -0.438) 1.694 2.448 ( -1.605 -2.408 0.680) 2.973 3.243 ( 8.281 13.671 0.064) 15.984 3.804 ( -2.719 -3.855 -0.152) 4.720 5.931 ( 1.154 2.426 0.289) 2.702 6.022 ( 1.418 4.028 0.302) 4.281 6.163 ( -0.460 -2.803 -1.518) 3.221 6.730 ( 0.906 3.581 0.398) 3.716 6.804 ( 0.814 -0.809 0.062) 1.149 7.753 ( -1.885 -2.926 -0.384) 3.501 ======================= Grid point 496 (186/288) ======================= q-point: (-0.21 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -3.249 4.452 0.745) 5.562 1.940 ( 0.038 -0.126 -0.170) 0.215 1.965 ( 1.994 -2.634 -0.639) 3.365 2.407 ( -0.918 -1.229 0.614) 1.653 3.414 ( -8.776 13.988 -0.205) 16.515 3.737 ( 6.291 -9.296 0.237) 11.227 5.942 ( -1.049 -0.394 0.466) 1.213 6.068 ( -2.084 2.054 0.978) 3.086 6.159 ( 4.831 -0.630 -2.089) 5.301 6.757 ( -1.557 4.072 1.485) 4.606 6.803 ( -2.192 0.028 -1.116) 2.459 7.730 ( 2.615 -2.666 -0.191) 3.739 ======================= Grid point 497 (187/288) ======================= q-point: (-0.14 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -6.361 -0.958 0.752) 6.476 1.945 ( 0.113 0.040 0.068) 0.138 1.992 ( 1.327 1.101 -1.045) 2.016 2.396 ( 0.321 -0.480 1.463) 1.573 3.238 ( -15.712 0.600 0.139) 15.724 3.815 ( 4.678 -0.751 -0.262) 4.745 5.908 ( -2.326 -0.236 0.658) 2.429 6.013 ( -3.957 -1.168 0.027) 4.126 6.265 ( 5.246 1.768 -2.564) 6.101 6.719 ( -3.510 -3.751 -0.334) 5.148 6.779 ( -0.839 3.565 1.371) 3.910 7.780 ( 4.491 -0.296 -0.682) 4.552 ======================= Grid point 506 (188/288) ======================= q-point: ( 0.50 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 0.000 1.204 -2.522) 2.795 1.783 ( 0.000 2.381 -10.356) 10.626 1.971 ( -0.000 2.014 1.068) 2.280 2.237 ( -0.000 10.264 0.921) 10.305 2.617 ( -0.000 -2.268 4.726) 5.243 3.727 ( -0.000 16.480 1.244) 16.526 5.571 ( 0.000 4.578 -0.768) 4.642 5.936 ( 0.000 1.159 -4.521) 4.667 6.157 ( -0.000 2.787 0.652) 2.863 6.562 ( -0.000 -2.744 3.198) 4.214 6.980 ( 0.000 -10.957 -1.209) 11.023 8.112 ( 0.000 -0.621 -2.457) 2.534 ======================= Grid point 507 (189/288) ======================= q-point: ( 0.57 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 4.472 1.593 -0.973) 4.846 1.790 ( 2.146 1.667 -6.992) 7.501 1.992 ( -0.638 2.135 1.207) 2.535 2.396 ( 6.474 7.823 0.278) 10.158 2.609 ( 1.453 -3.194 3.979) 5.305 3.876 ( -0.199 11.744 0.035) 11.746 5.670 ( 6.552 3.716 -0.549) 7.553 5.928 ( -1.347 2.586 -3.415) 4.490 6.193 ( 0.322 2.775 0.059) 2.795 6.547 ( 0.783 -3.390 2.976) 4.578 6.874 ( -0.458 -7.811 -1.247) 7.923 8.062 ( -4.255 -0.240 -1.795) 4.624 ======================= Grid point 508 (190/288) ======================= q-point: ( 0.64 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 6.375 1.528 -0.266) 6.561 1.852 ( 3.730 2.177 -2.073) 4.791 1.997 ( -1.252 1.612 0.789) 2.188 2.501 ( -0.686 -0.624 1.029) 1.385 2.741 ( 14.140 3.129 1.023) 14.518 3.945 ( -2.596 6.245 -0.704) 6.800 5.847 ( 8.349 3.404 -0.498) 9.030 5.929 ( -0.886 3.205 -1.490) 3.644 6.210 ( -0.951 1.175 -0.177) 1.521 6.553 ( 3.799 -3.263 1.131) 5.134 6.807 ( -0.142 -3.648 -0.108) 3.653 7.956 ( -6.875 0.058 -1.139) 6.969 ======================= Grid point 509 (191/288) ======================= q-point: ( 0.71 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 6.028 1.117 -0.647) 6.165 1.922 ( 1.982 0.795 0.314) 2.158 1.989 ( -1.464 1.155 0.618) 1.965 2.456 ( -1.786 -2.177 -0.090) 2.817 3.075 ( 17.868 3.904 0.474) 18.296 3.899 ( -6.774 1.403 -0.726) 6.956 5.945 ( -0.193 1.978 -0.243) 2.002 5.995 ( 5.027 2.163 -0.876) 5.542 6.182 ( -2.782 -0.062 0.772) 2.887 6.642 ( 8.447 -1.023 -0.709) 8.538 6.790 ( 0.232 -0.712 0.960) 1.218 7.827 ( -7.084 0.035 -0.438) 7.098 ======================= Grid point 510 (192/288) ======================= q-point: (-0.21 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 5.252 -0.475 -0.613) 5.309 1.938 ( -0.086 -0.013 0.180) 0.200 1.960 ( -2.896 0.295 0.476) 2.949 2.412 ( -1.009 -1.109 -0.481) 1.575 3.412 ( 16.709 -0.473 0.150) 16.716 3.739 ( -11.470 0.632 -0.180) 11.489 5.947 ( -0.019 -0.835 -0.470) 0.959 6.076 ( 2.712 -1.461 -0.964) 3.228 6.141 ( -2.329 3.882 1.903) 4.911 6.769 ( 2.705 0.728 -0.975) 2.966 6.794 ( 2.588 -1.679 0.725) 3.169 7.728 ( -3.613 0.745 0.157) 3.692 ======================= Grid point 511 (193/288) ======================= q-point: (-0.14 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -3.094 -5.359 -0.000) 6.188 1.943 ( 0.154 0.267 -0.000) 0.308 1.982 ( 2.270 3.931 -0.000) 4.539 2.391 ( -0.392 -0.679 -0.000) 0.784 3.420 ( -7.925 -13.727 -0.000) 15.851 3.730 ( 5.182 8.975 -0.000) 10.364 5.938 ( -0.127 -0.220 0.000) 0.254 6.038 ( -1.853 -3.209 -0.000) 3.706 6.213 ( 2.682 4.645 0.000) 5.364 6.714 ( -3.422 -5.928 0.000) 6.845 6.833 ( 0.275 0.476 -0.000) 0.550 7.734 ( 1.808 3.132 -0.000) 3.616 ======================= Grid point 522 (194/288) ======================= q-point: ( 0.57 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 0.000 1.304 -0.683) 1.472 1.767 ( 0.000 2.037 -3.674) 4.201 2.021 ( -0.000 1.615 1.091) 1.949 2.401 ( -0.000 5.380 0.233) 5.385 2.574 ( -0.000 -4.141 2.925) 5.070 3.981 ( 0.000 8.243 -0.800) 8.282 5.633 ( 0.000 2.114 -0.115) 2.117 5.963 ( 0.000 3.618 -2.427) 4.356 6.221 ( -0.000 2.564 0.008) 2.564 6.509 ( -0.000 -4.338 1.344) 4.542 6.810 ( 0.000 -4.493 -0.507) 4.522 8.094 ( 0.000 -0.041 -1.421) 1.422 ======================= Grid point 523 (195/288) ======================= q-point: ( 0.64 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 4.649 0.966 -0.152) 4.751 1.817 ( 2.606 3.581 0.864) 4.513 2.030 ( -0.718 0.825 1.011) 1.490 2.495 ( 2.361 1.064 -0.421) 2.624 2.558 ( 5.969 -2.406 1.181) 6.543 4.030 ( -1.263 3.824 -1.369) 4.254 5.720 ( 7.288 1.505 0.134) 7.443 5.985 ( -1.425 3.828 -0.217) 4.091 6.237 ( -0.395 1.227 -0.284) 1.320 6.471 ( 1.225 -4.285 -1.285) 4.638 6.783 ( 0.028 -1.100 0.943) 1.449 8.054 ( -4.057 0.258 -1.062) 4.201 ======================= Grid point 524 (196/288) ======================= q-point: (-0.29 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 6.241 -0.104 -0.661) 6.276 1.906 ( 2.039 2.817 2.364) 4.205 2.022 ( -1.083 0.263 1.341) 1.744 2.460 ( -1.453 -2.495 -1.558) 3.280 2.781 ( 16.400 -0.222 0.588) 16.412 4.002 ( -3.687 0.026 -1.348) 3.926 5.881 ( 8.328 0.143 -0.524) 8.346 5.985 ( -1.766 1.714 0.779) 2.582 6.233 ( -1.396 1.221 1.091) 2.152 6.487 ( 5.678 -1.972 -2.303) 6.437 6.788 ( 0.072 0.681 1.393) 1.552 7.958 ( -6.782 0.593 -0.572) 6.832 ======================= Grid point 525 (197/288) ======================= q-point: (-0.21 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 5.945 -2.103 -1.046) 6.392 1.942 ( -0.037 0.665 0.675) 0.948 2.004 ( -1.656 -0.192 1.699) 2.380 2.415 ( -0.788 -1.009 -1.916) 2.305 3.075 ( 17.609 -4.163 0.455) 18.100 3.901 ( -6.222 -0.870 -0.648) 6.316 5.932 ( -0.277 -2.179 -0.795) 2.336 6.007 ( 3.384 -1.665 -0.384) 3.791 6.232 ( -1.943 3.922 3.028) 5.323 6.619 ( 9.877 -0.205 -1.783) 10.038 6.792 ( -1.047 0.171 0.929) 1.411 7.841 ( -6.809 1.432 0.144) 6.959 ======================= Grid point 537 (198/288) ======================= q-point: (-0.36 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -0.000 1.015 0.850) 1.324 1.852 ( -0.000 5.801 4.711) 7.473 2.044 ( -0.000 -0.055 1.384) 1.385 2.454 ( 0.000 -0.277 -0.201) 0.342 2.492 ( 0.000 -3.909 -1.555) 4.207 4.054 ( 0.000 -0.215 -1.903) 1.915 5.663 ( -0.000 0.605 0.864) 1.055 6.044 ( -0.000 3.612 2.265) 4.263 6.241 ( 0.000 -0.519 -0.901) 1.040 6.414 ( 0.000 -2.819 -4.135) 5.004 6.789 ( -0.000 1.323 1.980) 2.381 8.090 ( 0.000 0.398 -1.068) 1.139 ======================= Grid point 538 (199/288) ======================= q-point: (-0.29 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 3.521 0.167 0.582) 3.573 1.934 ( 0.303 4.701 4.750) 6.690 2.041 ( -0.569 -0.469 2.772) 2.868 2.444 ( -0.610 -2.819 -3.364) 4.431 2.529 ( 10.134 -2.271 0.128) 10.386 4.016 ( -1.024 -4.231 -1.959) 4.774 5.733 ( 6.846 -0.649 0.667) 6.909 6.045 ( -3.020 0.045 2.071) 3.662 6.242 ( 1.345 -0.812 0.469) 1.640 6.405 ( 1.828 1.298 -3.988) 4.575 6.815 ( -0.428 2.895 1.838) 3.456 8.058 ( -3.853 0.726 -0.954) 4.035 ======================= Grid point 539 (200/288) ======================= q-point: (-0.21 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 4.603 -1.929 -0.551) 5.022 1.958 ( -0.807 0.108 0.517) 0.965 2.032 ( -1.325 -0.660 4.207) 4.460 2.405 ( -0.119 -1.075 -3.270) 3.444 2.738 ( 15.399 -3.897 0.846) 15.907 3.929 ( -1.667 -6.451 -1.338) 6.796 5.845 ( 6.660 -3.470 -0.571) 7.532 5.976 ( -2.645 -2.555 0.202) 3.683 6.270 ( 1.946 -0.061 2.448) 3.128 6.491 ( 5.028 4.784 -1.168) 7.038 6.835 ( -1.604 3.187 0.832) 3.664 7.973 ( -6.245 1.312 -0.469) 6.398 ======================= Grid point 552 (201/288) ======================= q-point: (-0.29 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -0.000 0.159 1.121) 1.132 1.981 ( -0.000 0.437 1.040) 1.128 2.067 ( -0.000 1.799 7.830) 8.034 2.388 ( 0.000 -5.877 -0.276) 5.884 2.425 ( 0.000 0.628 -4.081) 4.129 3.948 ( 0.000 -9.076 -2.190) 9.337 5.662 ( -0.000 -1.619 1.059) 1.935 6.075 ( -0.000 -2.649 1.587) 3.088 6.195 ( 0.000 -2.967 -1.073) 3.155 6.423 ( 0.000 6.346 -1.329) 6.483 6.865 ( -0.000 4.830 1.497) 5.057 8.099 ( 0.000 1.187 -1.339) 1.789 ======================= Grid point 553 (202/288) ======================= q-point: (-0.21 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 1.849 -1.391 0.032) 2.314 1.953 ( -0.474 -3.775 -1.279) 4.014 2.072 ( -2.232 -1.108 5.127) 5.700 2.356 ( 2.673 -5.834 -2.090) 6.749 2.510 ( 7.456 3.250 1.189) 8.220 3.832 ( 0.586 -12.770 -1.767) 12.905 5.690 ( 5.273 -4.215 0.212) 6.754 6.006 ( -3.257 -3.068 -0.562) 4.509 6.196 ( 3.350 -2.904 -0.282) 4.442 6.517 ( 1.513 8.554 2.603) 9.068 6.913 ( -1.456 5.975 0.340) 6.160 8.076 ( -3.685 1.815 -1.353) 4.325 ======================= Grid point 567 (203/288) ======================= q-point: (-0.21 -0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 0.000 -1.875 -0.596) 1.968 1.890 ( 0.000 -7.727 -3.272) 8.391 2.083 ( -0.000 -3.773 1.179) 3.953 2.222 ( -0.000 -10.074 0.411) 10.082 2.541 ( -0.000 9.581 3.529) 10.210 3.659 ( 0.000 -18.177 -1.533) 18.242 5.594 ( -0.000 -5.605 0.140) 5.607 6.004 ( 0.000 -2.699 -2.012) 3.367 6.136 ( 0.000 -1.796 -0.179) 1.805 6.605 ( -0.000 8.644 5.441) 10.214 6.999 ( 0.000 7.995 -0.552) 8.014 8.126 ( 0.000 2.587 -2.075) 3.316 ======================= Grid point 644 (204/288) ======================= q-point: ( 0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( -0.000 0.000 20.637) 20.637 0.590 ( -0.000 0.000 20.637) 20.637 1.110 ( -0.000 0.000 39.730) 39.730 1.639 ( 0.000 -0.000 -5.740) 5.740 1.639 ( 0.000 -0.000 -5.740) 5.740 3.384 ( 0.000 -0.000 -15.839) 15.839 5.017 ( -0.000 0.000 1.218) 1.218 5.017 ( -0.000 0.000 1.218) 1.218 6.310 ( 0.000 -0.000 -0.744) 0.744 6.310 ( 0.000 -0.000 -0.744) 0.744 8.086 ( -0.000 0.000 2.196) 2.196 8.395 ( 0.000 -0.000 -0.854) 0.854 ======================= Grid point 645 (205/288) ======================= q-point: ( 0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 4.533 2.617 16.926) 17.717 0.834 ( 6.010 3.470 21.933) 23.005 1.446 ( 17.677 10.206 28.051) 34.691 1.667 ( 5.650 3.262 -7.996) 10.319 1.673 ( 2.876 1.660 -4.928) 5.943 3.058 ( -10.451 -6.034 -7.340) 14.124 5.051 ( 2.506 1.447 1.185) 3.127 5.810 ( 39.488 22.798 -24.563) 51.792 6.263 ( -3.529 -2.038 -1.069) 4.213 6.287 ( -1.708 -0.986 -0.749) 2.110 8.049 ( -4.953 -2.860 3.623) 6.770 8.288 ( -6.292 -3.633 -0.908) 7.322 ======================= Grid point 646 (206/288) ======================= q-point: ( 0.36 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 9.859 5.692 9.912) 15.095 1.010 ( 4.553 2.629 17.659) 18.425 1.748 ( 4.716 2.723 -3.787) 6.633 1.750 ( 6.321 3.649 -1.280) 7.410 2.061 ( 23.692 13.678 8.018) 28.507 2.915 ( -0.617 -0.356 -7.367) 7.402 5.140 ( 4.723 2.727 0.966) 5.539 6.127 ( -5.815 -3.357 -1.420) 6.863 6.232 ( -2.552 -1.473 -0.702) 3.029 6.444 ( 19.952 11.519 -16.570) 28.379 7.855 ( -12.042 -6.952 6.378) 15.298 8.162 ( -3.978 -2.296 -4.522) 6.446 ======================= Grid point 647 (207/288) ======================= q-point: ( 0.43 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 9.404 5.430 4.637) 11.808 1.176 ( 6.467 3.734 8.592) 11.384 1.877 ( 7.086 4.091 -2.215) 8.477 1.880 ( 5.015 2.896 -2.244) 6.211 2.559 ( 14.788 8.538 -0.331) 17.078 3.003 ( 10.492 6.058 -0.518) 12.127 5.274 ( 6.337 3.658 0.644) 7.345 5.976 ( -6.052 -3.494 -1.174) 7.086 6.174 ( -2.020 -1.166 -0.557) 2.398 6.736 ( 8.797 5.079 -9.617) 13.988 7.554 ( -14.679 -8.475 4.952) 17.659 8.066 ( -2.883 -1.665 -3.570) 4.881 ======================= Grid point 648 (208/288) ======================= q-point: ( 0.50 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 6.526 3.768 1.161) 7.624 1.370 ( 8.563 4.944 2.366) 10.167 1.969 ( 3.160 1.824 -1.821) 4.078 2.061 ( 8.662 5.001 -0.729) 10.029 2.736 ( 2.778 1.604 -2.453) 4.038 3.362 ( 16.580 9.573 2.488) 19.306 5.430 ( 6.442 3.719 0.187) 7.441 5.861 ( -2.975 -1.717 -0.868) 3.543 6.144 ( -0.261 -0.151 -0.190) 0.357 6.825 ( 1.468 0.848 -7.673) 7.858 7.209 ( -15.268 -8.815 3.329) 17.941 8.018 ( -0.586 -0.338 -0.624) 0.920 ======================= Grid point 649 (209/288) ======================= q-point: ( 0.57 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 4.036 2.330 -0.550) 4.693 1.583 ( 9.229 5.328 -1.386) 10.746 2.023 ( 2.027 1.170 -1.515) 2.788 2.257 ( 7.620 4.399 0.018) 8.799 2.723 ( -3.218 -1.858 -0.405) 3.738 3.713 ( 12.140 7.009 1.898) 14.146 5.563 ( 4.765 2.751 -0.464) 5.522 5.846 ( 1.966 1.135 -0.562) 2.339 6.162 ( 1.561 0.901 0.451) 1.858 6.759 ( -6.738 -3.890 -6.454) 10.109 6.910 ( -8.390 -4.844 2.809) 10.087 8.025 ( 0.784 0.452 1.147) 1.461 ======================= Grid point 650 (210/288) ======================= q-point: ( 0.64 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 2.376 1.372 -1.111) 2.961 1.786 ( 8.639 4.988 -4.508) 10.946 2.059 ( 1.452 0.838 -1.610) 2.325 2.401 ( 4.247 2.452 0.246) 4.911 2.601 ( -6.732 -3.887 1.230) 7.870 3.934 ( 6.156 3.554 2.162) 7.430 5.647 ( 2.595 1.498 -1.016) 3.164 5.944 ( 6.252 3.609 -1.015) 7.290 6.205 ( 1.481 0.855 1.032) 1.997 6.515 ( -10.488 -6.055 0.522) 12.122 6.827 ( -1.040 -0.600 -1.442) 1.876 8.049 ( 0.731 0.422 1.479) 1.703 ======================= Grid point 651 (211/288) ======================= q-point: (-0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 1.103 0.637 -1.076) 1.667 1.947 ( 5.558 3.209 -4.788) 8.007 2.090 ( 2.395 1.383 -4.208) 5.035 2.448 ( -6.040 -3.487 3.434) 7.773 2.449 ( -0.312 -0.180 0.261) 0.445 4.012 ( -0.271 -0.157 2.486) 2.505 5.682 ( 0.692 0.399 -1.149) 1.399 6.097 ( 5.303 3.062 -3.289) 6.951 6.221 ( -0.600 -0.346 1.199) 1.385 6.330 ( -4.163 -2.404 4.584) 6.643 6.824 ( 1.172 0.677 -1.644) 2.130 8.066 ( 0.411 0.237 1.495) 1.568 ======================= Grid point 652 (212/288) ======================= q-point: (-0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -0.110 -0.064 -0.596) 0.609 1.984 ( -1.588 -0.917 0.174) 1.842 2.133 ( 0.715 0.413 -5.828) 5.886 2.386 ( -5.004 -2.889 0.110) 5.780 2.397 ( 2.481 1.433 1.608) 3.285 3.928 ( -7.669 -4.428 2.173) 9.118 5.670 ( -1.600 -0.924 -0.818) 2.021 6.079 ( -3.894 -2.248 0.671) 4.546 6.186 ( -2.369 -1.368 0.879) 2.874 6.420 ( 8.199 4.734 -0.683) 9.492 6.876 ( 3.684 2.127 -0.866) 4.341 8.084 ( 0.895 0.517 1.849) 2.118 ======================= Grid point 659 (213/288) ======================= q-point: ( 0.29 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -0.000 12.560 15.370) 19.849 0.928 ( -0.000 13.300 16.561) 21.240 1.470 ( -0.000 10.847 31.447) 33.265 1.573 ( 0.000 -0.562 -8.246) 8.265 1.729 ( 0.000 10.799 -5.341) 12.047 3.033 ( 0.000 -11.973 -9.519) 15.296 5.051 ( -0.000 2.814 1.174) 3.048 5.729 ( 0.000 42.306 -20.050) 46.817 6.268 ( 0.000 -3.026 -1.404) 3.336 6.282 ( 0.000 -2.141 -0.738) 2.265 8.054 ( -0.000 -6.133 3.509) 7.066 8.296 ( 0.000 -5.798 -1.451) 5.977 ======================= Grid point 660 (214/288) ======================= q-point: ( 0.36 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -0.755 16.057 9.863) 18.860 1.105 ( -0.918 9.741 18.747) 21.147 1.605 ( 6.340 0.535 -8.214) 10.390 1.741 ( 5.761 6.724 6.772) 11.147 1.940 ( 10.940 19.642 6.749) 23.474 2.891 ( -1.355 -3.614 -9.312) 10.081 5.115 ( 2.615 4.330 1.075) 5.171 6.138 ( 3.440 3.558 -5.190) 7.171 6.235 ( 1.700 2.580 -3.935) 5.003 6.266 ( 5.591 9.721 -9.630) 14.782 7.932 ( -5.318 -11.464 5.577) 13.813 8.203 ( -3.967 -2.159 -4.187) 6.159 ======================= Grid point 661 (215/288) ======================= q-point: ( 0.43 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 2.016 14.783 5.365) 15.855 1.217 ( -0.741 7.540 13.269) 15.280 1.743 ( 8.666 2.983 -4.164) 10.067 1.875 ( 2.931 6.808 -1.827) 7.634 2.406 ( 14.970 14.561 2.770) 21.066 2.904 ( 6.149 4.255 -4.037) 8.498 5.234 ( 4.389 6.052 0.946) 7.536 6.032 ( -5.257 -4.852 -1.007) 7.225 6.194 ( -1.694 -1.650 -0.698) 2.466 6.587 ( 11.318 8.795 -10.291) 17.646 7.687 ( -9.979 -12.306 5.170) 16.666 8.099 ( -4.125 -1.459 -4.369) 6.183 ======================= Grid point 662 (216/288) ======================= q-point: ( 0.50 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 1.170 9.510 5.856) 11.229 1.350 ( 3.796 9.257 3.017) 10.450 1.904 ( 5.674 2.483 -1.433) 6.357 2.010 ( 5.310 8.580 -1.763) 10.243 2.674 ( 5.965 3.909 -3.242) 7.834 3.194 ( 15.070 11.798 1.885) 19.231 5.390 ( 4.945 7.400 0.766) 8.933 5.898 ( -4.208 -3.298 -0.620) 5.383 6.156 ( -1.069 -0.099 -0.685) 1.273 6.752 ( 5.023 1.266 -7.403) 9.035 7.375 ( -13.003 -10.861 3.296) 17.260 8.018 ( -1.627 -1.872 -1.658) 2.984 ======================= Grid point 663 (217/288) ======================= q-point: ( 0.57 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 1.269 6.582 2.636) 7.203 1.530 ( 5.251 9.066 0.392) 10.484 1.984 ( 2.892 0.770 -1.407) 3.307 2.213 ( 6.080 9.990 -0.229) 11.696 2.735 ( 0.243 -0.214 -1.844) 1.873 3.573 ( 13.449 9.560 1.498) 16.568 5.548 ( 3.538 7.763 0.378) 8.539 5.833 ( -0.385 -0.643 -0.026) 0.750 6.156 ( 0.507 1.372 -0.363) 1.507 6.764 ( -0.358 -2.143 -7.017) 7.346 7.051 ( -12.747 -7.985 2.771) 15.295 7.996 ( 1.369 -2.292 0.751) 2.773 ======================= Grid point 664 (218/288) ======================= q-point: ( 0.64 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 0.443 5.084 0.454) 5.123 1.713 ( 5.710 7.646 -1.740) 9.700 2.027 ( 2.141 0.123 -1.372) 2.546 2.395 ( 3.313 8.423 0.447) 9.062 2.677 ( -4.864 -1.499 -0.687) 5.136 3.850 ( 8.830 5.094 1.658) 10.328 5.665 ( 0.865 7.321 -0.209) 7.375 5.875 ( 4.209 1.744 0.067) 4.556 6.193 ( 1.506 1.652 0.221) 2.246 6.634 ( -8.515 -4.665 -2.968) 10.153 6.848 ( -3.964 -2.476 0.450) 4.695 8.011 ( 2.551 -2.696 1.448) 3.984 ======================= Grid point 665 (219/288) ======================= q-point: ( 0.71 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -0.455 3.962 -0.371) 4.005 1.869 ( 5.419 5.196 -4.288) 8.645 2.056 ( 1.642 0.010 -1.908) 2.517 2.477 ( -1.289 0.776 1.701) 2.271 2.570 ( -6.620 4.477 -0.162) 7.994 3.995 ( 3.432 0.875 2.216) 4.178 5.727 ( -1.599 6.602 -0.617) 6.821 5.996 ( 6.531 1.622 -1.210) 6.837 6.229 ( 0.853 1.079 0.487) 1.460 6.435 ( -8.173 -2.313 2.289) 8.797 6.808 ( 0.145 -0.208 -1.606) 1.626 8.031 ( 2.426 -2.921 1.337) 4.026 ======================= Grid point 666 (220/288) ======================= q-point: (-0.21 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -1.318 2.714 -0.538) 3.065 1.968 ( 2.691 0.889 -2.622) 3.861 2.077 ( 1.926 -0.024 -5.125) 5.475 2.411 ( -2.796 -2.056 3.689) 5.065 2.532 ( -7.225 8.020 -0.406) 10.802 3.997 ( -3.173 -2.779 2.238) 4.775 5.739 ( -3.776 5.179 -0.629) 6.441 6.060 ( 1.222 -3.723 -1.199) 4.098 6.248 ( -2.039 1.748 -0.739) 2.786 6.371 ( 1.635 3.463 3.412) 5.129 6.830 ( 2.557 0.792 -1.491) 3.065 8.048 ( 2.445 -2.813 1.328) 3.956 ======================= Grid point 674 (221/288) ======================= q-point: ( 0.36 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -0.000 15.365 8.183) 17.408 1.291 ( -0.000 12.692 12.493) 17.809 1.527 ( 0.000 2.363 -10.186) 10.456 1.781 ( -0.000 7.245 8.654) 11.286 2.080 ( -0.000 22.129 4.842) 22.653 2.838 ( 0.000 -2.045 -8.801) 9.035 5.145 ( -0.000 5.743 0.899) 5.813 6.128 ( 0.000 -1.817 -1.096) 2.122 6.221 ( 0.000 -3.246 -0.564) 3.295 6.309 ( 0.000 17.986 -12.672) 22.002 7.858 ( -0.000 -14.592 5.177) 15.483 8.208 ( 0.000 -1.479 -5.066) 5.278 ======================= Grid point 675 (222/288) ======================= q-point: ( 0.43 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -1.289 14.144 2.614) 14.441 1.388 ( -3.169 7.231 8.563) 11.648 1.634 ( 7.318 8.279 -3.575) 11.614 1.889 ( 2.434 5.670 0.125) 6.171 2.381 ( 7.166 17.777 1.786) 19.250 2.854 ( 3.551 6.064 -3.099) 7.681 5.240 ( 2.950 7.204 0.802) 7.826 6.053 ( -3.211 -5.168 -1.083) 6.180 6.187 ( -0.153 -2.570 -0.544) 2.632 6.500 ( 6.176 10.816 -7.824) 14.708 7.681 ( -4.058 -15.320 4.546) 16.488 8.145 ( -3.631 -1.035 -5.296) 6.504 ======================= Grid point 676 (223/288) ======================= q-point: ( 0.50 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 0.821 8.020 1.776) 8.255 1.448 ( -1.554 10.738 3.041) 11.268 1.842 ( 5.523 6.599 1.266) 8.698 2.004 ( 4.904 8.126 -2.747) 9.881 2.609 ( 5.336 5.841 -3.138) 8.511 3.104 ( 10.779 15.228 2.294) 18.798 5.394 ( 4.706 8.858 0.899) 10.071 5.933 ( -4.063 -3.928 -1.026) 5.744 6.163 ( -0.219 -0.785 -0.918) 1.228 6.654 ( 5.324 2.393 -4.849) 7.589 7.442 ( -7.368 -13.762 3.202) 15.935 8.043 ( -4.232 -1.648 -3.622) 5.809 ======================= Grid point 677 (224/288) ======================= q-point: ( 0.57 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 0.215 6.396 5.397) 8.371 1.566 ( 2.157 10.957 -2.275) 11.396 1.941 ( 2.390 1.326 -0.203) 2.741 2.222 ( 6.507 12.464 -0.292) 14.063 2.707 ( 2.801 1.664 -2.103) 3.878 3.463 ( 11.568 12.730 1.278) 17.248 5.576 ( 4.304 9.880 0.978) 10.821 5.845 ( -2.097 -1.489 -0.281) 2.587 6.162 ( 0.299 1.100 -1.191) 1.648 6.708 ( 2.171 -1.586 -4.495) 5.238 7.171 ( -9.763 -10.413 2.002) 14.413 7.961 ( -1.350 -3.025 -0.961) 3.449 ======================= Grid point 678 (225/288) ======================= q-point: ( 0.64 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -0.876 6.544 2.491) 7.057 1.718 ( 3.467 9.003 -0.549) 9.663 1.983 ( 2.189 -0.205 -0.925) 2.385 2.432 ( 3.539 9.101 0.827) 9.800 2.738 ( -1.096 3.491 -1.549) 3.973 3.750 ( 9.145 6.638 0.822) 11.330 5.735 ( 1.840 9.441 0.846) 9.655 5.839 ( 1.598 1.208 0.435) 2.050 6.186 ( 1.071 1.679 -1.101) 2.275 6.679 ( -2.059 -2.146 -4.081) 5.049 6.926 ( -8.175 -5.580 1.564) 10.021 7.930 ( 2.037 -4.427 0.648) 4.916 ======================= Grid point 679 (226/288) ======================= q-point: ( 0.71 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( -1.749 6.085 1.171) 6.439 1.849 ( 2.653 6.197 -1.579) 6.924 2.015 ( 2.230 -0.519 -1.175) 2.573 2.499 ( -0.873 -0.996 1.195) 1.784 2.763 ( -4.704 12.573 -1.183) 13.476 3.924 ( 5.987 0.914 1.386) 6.213 5.837 ( -0.874 8.513 0.598) 8.579 5.913 ( 4.251 1.822 0.197) 4.629 6.218 ( 1.324 0.581 -0.893) 1.699 6.564 ( -7.380 -0.458 -0.208) 7.397 6.813 ( -1.779 -0.937 -0.645) 2.112 7.936 ( 3.637 -5.197 0.926) 6.410 ======================= Grid point 680 (227/288) ======================= q-point: (-0.21 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -2.871 5.091 0.605) 5.876 1.928 ( 2.154 2.402 -2.470) 4.063 2.038 ( 1.383 -0.564 -2.209) 2.666 2.443 ( -2.341 -2.768 2.240) 4.262 2.787 ( -8.482 14.100 -0.770) 16.473 3.988 ( 1.716 -2.906 1.702) 3.780 5.876 ( -3.710 6.767 0.495) 7.734 5.992 ( 2.844 -0.911 -0.637) 3.053 6.246 ( 2.154 0.423 -1.707) 2.780 6.464 ( -5.563 4.074 2.768) 7.430 6.801 ( 0.697 0.301 -1.503) 1.684 7.952 ( 3.898 -5.273 0.748) 6.600 ======================= Grid point 689 (228/288) ======================= q-point: ( 0.43 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 0.000 1.014 -3.409) 3.557 1.463 ( -0.000 12.490 0.798) 12.515 1.694 ( -0.000 14.674 2.088) 14.822 1.913 ( 0.000 3.488 -0.866) 3.594 2.488 ( 0.000 12.593 -1.075) 12.639 2.919 ( -0.000 14.621 2.176) 14.783 5.289 ( -0.000 7.728 0.302) 7.734 6.028 ( 0.000 -4.808 -1.962) 5.193 6.156 ( 0.000 -2.585 -0.129) 2.588 6.530 ( 0.000 7.623 -3.676) 8.464 7.564 ( -0.000 -16.325 3.415) 16.678 8.154 ( 0.000 -0.770 -5.501) 5.555 ======================= Grid point 690 (229/288) ======================= q-point: ( 0.50 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 1.314 2.645 -2.976) 4.193 1.570 ( -0.554 9.957 -2.816) 10.363 1.872 ( 1.750 9.722 3.388) 10.443 1.977 ( 5.143 6.250 -3.240) 8.719 2.595 ( 2.084 5.302 -0.849) 5.760 3.156 ( 4.631 19.914 3.629) 20.765 5.406 ( 3.883 8.364 0.157) 9.223 5.950 ( -2.606 -3.545 -2.395) 5.009 6.143 ( 0.769 -1.132 -0.320) 1.405 6.601 ( 2.374 2.300 -0.803) 3.402 7.384 ( -2.615 -15.529 2.170) 15.896 8.096 ( -3.796 -0.831 -4.625) 6.040 ======================= Grid point 691 (230/288) ======================= q-point: ( 0.57 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 3.925 3.851 0.768) 5.552 1.648 ( 0.191 9.025 -4.401) 10.043 1.935 ( 0.451 1.801 0.791) 2.018 2.217 ( 8.484 12.451 -0.266) 15.069 2.670 ( 2.708 1.906 0.156) 3.316 3.457 ( 6.328 16.529 1.679) 17.778 5.586 ( 5.931 9.085 0.348) 10.855 5.870 ( -2.511 -1.296 -1.705) 3.300 6.155 ( 0.976 0.656 -0.952) 1.513 6.645 ( 2.147 -1.199 -0.274) 2.474 7.180 ( -4.357 -12.981 1.192) 13.745 7.991 ( -4.978 -1.493 -2.813) 5.910 ======================= Grid point 692 (231/288) ======================= q-point: ( 0.64 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 2.376 4.435 2.135) 5.466 1.751 ( 2.689 8.576 -2.542) 9.340 1.954 ( 0.586 0.188 0.083) 0.621 2.449 ( 4.245 7.352 0.780) 8.525 2.759 ( 4.359 5.597 -0.265) 7.100 3.698 ( 5.358 9.372 0.342) 10.801 5.775 ( 4.306 8.230 0.578) 9.306 5.842 ( 0.031 1.739 -0.464) 1.800 6.180 ( 0.878 1.194 -1.366) 2.016 6.659 ( 1.246 -1.040 -0.950) 1.880 6.984 ( -5.295 -8.644 0.785) 10.168 7.891 ( -2.733 -2.982 -0.914) 4.147 ======================= Grid point 693 (232/288) ======================= q-point: ( 0.71 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -0.062 5.494 1.146) 5.612 1.874 ( 2.014 6.172 -0.371) 6.503 1.967 ( 1.629 -0.778 -0.510) 1.875 2.500 ( -0.608 -1.543 0.612) 1.768 2.937 ( 2.280 14.908 -0.552) 15.091 3.836 ( 4.312 1.197 0.388) 4.492 5.871 ( 2.388 3.106 0.533) 3.954 5.924 ( 1.389 6.355 0.604) 6.533 6.194 ( 0.704 -0.477 -1.427) 1.661 6.661 ( -1.845 2.242 -0.686) 2.983 6.842 ( -3.413 -3.144 0.194) 4.645 7.835 ( 0.970 -4.831 0.162) 4.930 ======================= Grid point 694 (233/288) ======================= q-point: ( 0.79 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -2.230 5.828 1.025) 6.324 1.927 ( 0.195 2.012 -0.723) 2.147 1.996 ( 2.077 -0.710 -0.998) 2.412 2.452 ( -1.552 -2.841 0.831) 3.343 3.080 ( -5.485 17.286 -0.612) 18.145 3.892 ( 4.403 -4.946 0.882) 6.680 5.943 ( 1.699 0.764 0.285) 1.885 5.986 ( -0.445 5.489 1.056) 5.608 6.193 ( 1.793 -2.043 -1.793) 3.256 6.633 ( -5.630 6.350 1.315) 8.588 6.800 ( -0.557 0.048 -1.241) 1.361 7.823 ( 3.633 -5.808 0.296) 6.857 ======================= Grid point 704 (234/288) ======================= q-point: ( 0.50 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 0.000 1.515 -4.378) 4.633 1.649 ( 0.000 7.468 -7.821) 10.814 1.940 ( 0.000 1.353 -1.543) 2.052 1.998 ( -0.000 13.234 2.089) 13.398 2.626 ( -0.000 3.061 2.358) 3.864 3.343 ( -0.000 21.090 3.221) 21.335 5.446 ( 0.000 7.265 -0.463) 7.280 5.933 ( 0.000 -2.386 -3.877) 4.552 6.128 ( -0.000 0.013 0.456) 0.456 6.601 ( -0.000 0.474 2.412) 2.458 7.250 ( -0.000 -15.345 0.688) 15.361 8.112 ( 0.000 -0.405 -4.340) 4.359 ======================= Grid point 705 (235/288) ======================= q-point: ( 0.57 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 3.996 2.287 -2.154) 5.084 1.693 ( 1.033 5.544 -8.571) 10.260 1.954 ( -0.164 1.868 0.674) 1.993 2.196 ( 6.832 11.659 0.644) 13.528 2.658 ( 0.689 0.252 3.343) 3.423 3.572 ( 1.846 17.879 1.522) 18.038 5.562 ( 5.263 6.691 -0.516) 8.529 5.890 ( -1.553 -0.355 -3.608) 3.944 6.146 ( 0.822 1.478 0.142) 1.697 6.612 ( 0.678 -1.596 3.443) 3.855 7.090 ( -1.232 -13.413 -0.366) 13.475 8.060 ( -4.061 -0.296 -3.283) 5.231 ======================= Grid point 706 (236/288) ======================= q-point: ( 0.64 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 5.919 2.621 0.126) 6.475 1.765 ( 3.180 5.599 -5.033) 8.173 1.967 ( -0.717 1.414 0.903) 1.824 2.437 ( 6.273 7.854 0.312) 10.057 2.702 ( 5.056 0.897 2.205) 5.588 3.757 ( 1.069 11.964 0.080) 12.012 5.747 ( 7.365 6.380 -0.406) 9.752 5.865 ( -0.909 1.953 -2.181) 3.066 6.178 ( 0.586 1.737 -0.308) 1.859 6.617 ( 1.581 -2.217 2.572) 3.745 6.943 ( -1.506 -9.851 -0.474) 9.977 7.955 ( -6.051 -0.528 -1.937) 6.375 ======================= Grid point 707 (237/288) ======================= q-point: ( 0.71 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 4.497 2.887 -0.128) 5.345 1.877 ( 3.834 4.531 -1.024) 6.023 1.963 ( -1.176 0.854 0.498) 1.536 2.500 ( -0.943 -1.264 0.494) 1.652 2.932 ( 12.237 9.376 0.470) 15.423 3.839 ( -1.386 4.585 -0.376) 4.805 5.876 ( 1.063 3.658 -0.534) 3.847 5.929 ( 4.533 4.618 -0.498) 6.490 6.188 ( -0.666 0.063 -0.064) 0.672 6.655 ( 3.680 0.017 0.646) 3.736 6.843 ( -1.169 -4.936 0.149) 5.074 7.839 ( -5.141 -1.502 -0.722) 5.404 ======================= Grid point 708 (238/288) ======================= q-point: ( 0.79 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 2.393 4.145 -0.000) 4.786 1.949 ( -0.227 -0.393 -0.000) 0.454 1.955 ( 0.811 1.405 -0.000) 1.622 2.451 ( -1.514 -2.622 -0.000) 3.028 3.244 ( 7.999 13.855 -0.000) 15.998 3.803 ( -2.349 -4.068 -0.000) 4.697 5.932 ( 1.342 2.324 -0.000) 2.684 6.024 ( 2.158 3.737 -0.000) 4.315 6.156 ( -1.305 -2.260 -0.000) 2.609 6.732 ( 1.851 3.205 -0.000) 3.701 6.804 ( -0.238 -0.413 -0.000) 0.477 7.751 ( -1.704 -2.951 -0.000) 3.408 ======================= Grid point 720 (239/288) ======================= q-point: ( 0.57 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 0.000 2.013 -2.239) 3.011 1.694 ( 0.000 3.576 -8.921) 9.611 1.982 ( -0.000 2.406 1.395) 2.781 2.245 ( -0.000 9.881 0.854) 9.918 2.657 ( -0.000 -2.103 4.172) 4.672 3.735 ( -0.000 15.593 0.434) 15.599 5.565 ( 0.000 4.651 -0.546) 4.683 5.897 ( 0.000 1.361 -4.011) 4.235 6.162 ( -0.000 2.692 0.438) 2.728 6.598 ( -0.000 -2.892 4.670) 5.493 6.968 ( 0.000 -11.409 -1.501) 11.508 8.088 ( 0.000 0.096 -2.818) 2.820 ======================= Grid point 721 (240/288) ======================= q-point: ( 0.64 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 4.892 1.982 -0.821) 5.342 1.737 ( 2.922 4.109 -4.533) 6.781 2.003 ( -0.738 1.993 1.298) 2.490 2.398 ( 6.310 7.631 0.098) 9.902 2.642 ( 1.079 -3.740 3.176) 5.024 3.873 ( -0.223 11.142 -0.683) 11.165 5.666 ( 6.487 3.881 -0.338) 7.567 5.900 ( -0.936 3.279 -2.650) 4.319 6.194 ( 0.158 2.642 0.046) 2.647 6.575 ( 0.522 -4.626 3.273) 5.691 6.863 ( -0.249 -7.389 -1.075) 7.471 8.044 ( -4.130 0.292 -2.016) 4.605 ======================= Grid point 722 (241/288) ======================= q-point: ( 0.71 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 6.367 1.365 -0.866) 6.570 1.842 ( 4.157 4.062 -0.126) 5.813 2.005 ( -1.409 1.556 0.997) 2.324 2.505 ( -0.522 -0.938 -0.099) 1.078 2.752 ( 13.600 2.613 1.238) 13.904 3.936 ( -2.470 5.950 -1.154) 6.545 5.842 ( 8.196 3.418 -0.611) 8.901 5.918 ( -0.630 3.982 -0.910) 4.133 6.212 ( -0.769 1.355 0.420) 1.614 6.561 ( 3.535 -4.780 0.623) 5.978 6.808 ( 0.044 -2.907 0.355) 2.929 7.945 ( -6.660 0.380 -1.134) 6.766 ======================= Grid point 736 (242/288) ======================= q-point: ( 0.64 0.64 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 0.000 1.941 -0.056) 1.942 1.747 ( 0.000 5.226 -0.639) 5.265 2.032 ( -0.000 1.478 1.317) 1.980 2.402 ( -0.000 5.175 0.078) 5.176 2.595 ( -0.000 -5.450 1.769) 5.730 3.970 ( 0.000 7.799 -1.561) 7.953 5.634 ( -0.000 2.443 0.342) 2.467 5.946 ( 0.000 5.038 -1.291) 5.201 6.219 ( 0.000 2.257 -0.434) 2.298 6.517 ( -0.000 -6.843 0.435) 6.857 6.809 ( -0.000 -3.265 0.360) 3.285 8.080 ( 0.000 0.372 -1.733) 1.773 ======================= Grid point 738 (243/288) ======================= q-point: (-0.29 -0.36 -0.79) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 4.228 1.288 0.065) 4.420 1.835 ( 2.367 5.908 2.985) 7.030 2.041 ( -0.768 0.948 1.432) 1.881 2.489 ( 2.116 0.356 -1.017) 2.375 2.567 ( 6.236 -3.270 0.707) 7.076 4.014 ( -1.137 3.607 -1.975) 4.267 5.723 ( 6.947 1.748 0.411) 7.175 5.987 ( -1.555 5.315 0.606) 5.571 6.234 ( -0.056 1.192 -0.438) 1.272 6.455 ( 1.632 -6.313 -2.131) 6.860 6.794 ( -0.100 -0.378 1.498) 1.549 8.043 ( -3.927 0.501 -1.310) 4.170 ======================= Grid point 753 (244/288) ======================= q-point: (-0.29 -0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -0.000 1.269 1.068) 1.659 1.899 ( -0.000 7.186 5.609) 9.116 2.061 ( -0.000 0.680 2.472) 2.564 2.451 ( 0.000 -0.352 -0.255) 0.435 2.474 ( 0.000 -5.617 -2.471) 6.137 4.035 ( 0.000 -0.289 -2.425) 2.442 5.672 ( -0.000 0.774 1.110) 1.353 6.068 ( -0.000 5.084 3.000) 5.904 6.231 ( 0.000 -0.668 -1.158) 1.336 6.373 ( 0.000 -3.904 -4.758) 6.155 6.808 ( -0.000 1.474 1.992) 2.478 8.079 ( 0.000 0.487 -1.406) 1.488 ======================= Grid point 860 (245/288) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -0.000 0.000 19.175) 19.175 0.769 ( -0.000 0.000 19.175) 19.175 1.460 ( -0.000 0.000 37.924) 37.924 1.578 ( 0.000 -0.000 -7.598) 7.598 1.578 ( 0.000 -0.000 -7.598) 7.598 3.221 ( 0.000 -0.000 -20.105) 20.105 5.028 ( -0.000 0.000 1.224) 1.224 5.028 ( -0.000 0.000 1.224) 1.224 6.303 ( 0.000 -0.000 -0.750) 0.750 6.303 ( 0.000 -0.000 -0.750) 0.750 8.107 ( -0.000 0.000 2.317) 2.317 8.387 ( 0.000 -0.000 -0.990) 0.990 ======================= Grid point 861 (246/288) ======================= q-point: ( 0.36 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 2.361 1.363 17.613) 17.823 1.024 ( 7.387 4.265 19.962) 21.708 1.584 ( 4.368 2.522 -9.875) 11.088 1.620 ( 3.490 2.015 -6.735) 7.849 1.704 ( 12.248 7.072 28.467) 31.787 2.964 ( -8.997 -5.194 -13.289) 16.867 5.062 ( 2.450 1.414 1.069) 3.024 5.636 ( 36.112 20.849 -14.690) 44.210 6.254 ( -3.794 -2.190 -0.905) 4.473 6.280 ( -1.702 -0.982 -0.731) 2.096 8.080 ( -3.616 -2.088 3.286) 5.314 8.277 ( -7.419 -4.283 -1.434) 8.686 ======================= Grid point 862 (247/288) ======================= q-point: ( 0.43 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 7.236 4.178 12.491) 15.028 1.176 ( 1.525 0.880 18.567) 18.651 1.706 ( 5.507 3.179 -5.396) 8.340 1.708 ( 7.575 4.373 -7.023) 11.217 2.156 ( 18.994 10.966 11.949) 24.976 2.837 ( 1.316 0.760 -9.696) 9.814 5.148 ( 4.642 2.680 0.832) 5.424 6.116 ( -5.136 -2.965 -0.968) 6.009 6.226 ( -2.528 -1.460 -0.696) 3.001 6.311 ( 21.762 12.564 -12.817) 28.209 7.909 ( -12.108 -6.991 5.575) 15.052 8.123 ( -4.152 -2.397 -4.036) 6.267 ======================= Grid point 863 (248/288) ======================= q-point: ( 0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 7.274 4.199 7.079) 10.984 1.267 ( 3.303 1.907 11.270) 11.898 1.852 ( 7.980 4.607 -3.364) 9.809 1.855 ( 5.674 3.276 -2.843) 7.142 2.555 ( 11.539 6.662 -0.804) 13.348 2.994 ( 13.667 7.891 -1.440) 15.847 5.280 ( 6.229 3.596 0.637) 7.221 5.970 ( -6.002 -3.465 -0.152) 6.932 6.169 ( -1.942 -1.121 -0.627) 2.328 6.652 ( 9.941 5.740 -8.833) 14.485 7.592 ( -15.311 -8.840 3.262) 17.978 8.043 ( -2.006 -1.158 -1.331) 2.672 ======================= Grid point 864 (249/288) ======================= q-point: ( 0.57 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 5.184 2.993 2.894) 6.649 1.410 ( 6.357 3.670 6.474) 9.787 1.952 ( 3.325 1.920 -1.782) 4.233 2.052 ( 9.263 5.348 -1.397) 10.786 2.712 ( 3.391 1.958 -2.946) 4.900 3.378 ( 16.680 9.630 0.959) 19.284 5.432 ( 6.235 3.600 0.385) 7.210 5.860 ( -2.943 -1.699 0.666) 3.463 6.142 ( -0.058 -0.034 -0.387) 0.392 6.754 ( 1.610 0.929 -7.781) 8.000 7.234 ( -15.201 -8.776 2.221) 17.693 8.022 ( 0.027 0.015 1.370) 1.370 ======================= Grid point 865 (250/288) ======================= q-point: ( 0.64 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 3.388 1.956 0.537) 3.949 1.587 ( 7.237 4.178 2.424) 8.701 2.009 ( 2.113 1.220 -1.560) 2.896 2.256 ( 7.874 4.546 -0.338) 9.098 2.713 ( -2.496 -1.441 -1.848) 3.423 3.727 ( 12.328 7.118 1.260) 14.291 5.561 ( 4.468 2.580 -0.130) 5.161 5.848 ( 1.759 1.016 1.105) 2.313 6.165 ( 1.862 1.075 0.167) 2.157 6.701 ( -4.609 -2.661 -6.458) 8.369 6.933 ( -9.634 -5.562 2.381) 11.376 8.040 ( 0.818 0.472 2.146) 2.345 ======================= Grid point 866 (251/288) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 2.126 1.227 -0.584) 2.523 1.755 ( 6.934 4.004 -2.245) 8.316 2.045 ( 1.289 0.744 -1.472) 2.093 2.402 ( 4.336 2.504 0.090) 5.008 2.605 ( -5.774 -3.334 -0.362) 6.677 3.954 ( 6.402 3.696 2.046) 7.670 5.639 ( 2.386 1.377 -0.743) 2.853 5.940 ( 5.456 3.150 0.100) 6.301 6.213 ( 1.693 0.977 0.803) 2.113 6.518 ( -8.354 -4.823 0.145) 9.648 6.816 ( -1.762 -1.017 -1.025) 2.278 8.064 ( 0.593 0.342 1.767) 1.894 ======================= Grid point 875 (252/288) ======================= q-point: ( 0.36 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -0.000 9.252 16.840) 19.215 1.070 ( -0.000 11.782 14.836) 18.946 1.492 ( 0.000 -1.064 -9.713) 9.771 1.650 ( 0.000 7.772 -4.647) 9.055 1.771 ( -0.000 9.831 27.349) 29.062 2.922 ( 0.000 -9.779 -15.042) 17.941 5.061 ( -0.000 2.753 1.066) 2.952 5.589 ( 0.000 38.899 -11.570) 40.583 6.257 ( 0.000 -3.735 -1.117) 3.899 6.276 ( 0.000 -2.113 -0.620) 2.202 8.084 ( -0.000 -4.742 3.202) 5.722 8.281 ( 0.000 -7.327 -1.841) 7.554 ======================= Grid point 876 (253/288) ======================= q-point: ( 0.43 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -1.545 11.988 12.146) 17.136 1.267 ( 0.372 7.502 17.007) 18.592 1.523 ( 7.942 1.219 -9.860) 12.719 1.735 ( 1.479 9.064 -5.813) 10.869 2.058 ( 10.516 13.600 16.894) 24.103 2.795 ( -0.301 -1.724 -11.880) 12.008 5.124 ( 2.582 4.305 0.860) 5.093 6.072 ( 13.383 20.436 -8.353) 25.817 6.184 ( -0.982 -0.361 -3.612) 3.760 6.240 ( -1.134 -2.272 -0.814) 2.666 7.980 ( -4.903 -11.191 5.250) 13.298 8.165 ( -4.271 -3.100 -4.389) 6.864 ======================= Grid point 877 (254/288) ======================= q-point: ( 0.50 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 1.664 10.865 6.901) 12.979 1.334 ( -2.053 4.871 11.514) 12.670 1.710 ( 9.866 4.836 -2.652) 11.303 1.846 ( 2.940 7.703 -4.564) 9.424 2.432 ( 11.456 10.309 2.654) 15.638 2.866 ( 8.817 7.819 -4.117) 12.483 5.242 ( 4.337 6.116 0.725) 7.533 6.026 ( -5.127 -4.974 -0.235) 7.147 6.188 ( -1.730 -1.697 -0.640) 2.506 6.504 ( 11.891 10.615 -7.800) 17.746 7.727 ( -10.565 -12.704 3.566) 16.903 8.066 ( -3.066 -1.564 -2.718) 4.386 ======================= Grid point 878 (255/288) ======================= q-point: ( 0.57 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 1.754 9.257 3.040) 9.900 1.410 ( 1.739 5.529 8.487) 10.277 1.895 ( 5.075 3.076 -0.288) 5.942 1.988 ( 6.320 9.372 -2.900) 11.670 2.646 ( 5.868 3.772 -3.072) 7.622 3.204 ( 15.312 12.432 0.333) 19.726 5.397 ( 4.810 7.518 0.687) 8.951 5.898 ( -3.927 -3.430 0.622) 5.251 6.150 ( -0.952 -0.213 -0.672) 1.184 6.689 ( 4.673 2.178 -6.466) 8.270 7.398 ( -13.319 -10.965 1.700) 17.335 8.013 ( -0.393 -2.041 0.482) 2.134 ======================= Grid point 879 (256/288) ======================= q-point: ( 0.64 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 0.194 6.824 1.873) 7.079 1.556 ( 4.467 6.725 5.175) 9.590 1.972 ( 2.664 0.959 -1.253) 3.096 2.209 ( 6.394 10.550 -0.629) 12.352 2.715 ( 0.664 0.202 -2.650) 2.739 3.582 ( 13.611 9.620 0.476) 16.675 5.552 ( 3.224 7.882 0.516) 8.531 5.840 ( -0.256 -0.834 1.545) 1.774 6.152 ( 0.834 1.241 -0.447) 1.560 6.703 ( -0.633 -1.378 -6.395) 6.572 7.072 ( -12.349 -8.003 1.790) 14.824 8.009 ( 1.862 -2.624 2.052) 3.816 ======================= Grid point 880 (257/288) ======================= q-point: ( 0.71 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -0.360 5.350 0.736) 5.412 1.710 ( 4.082 6.344 1.363) 7.666 2.015 ( 2.094 0.225 -1.348) 2.501 2.398 ( 3.371 8.903 0.141) 9.520 2.665 ( -4.251 -1.321 -2.032) 4.893 3.864 ( 9.248 5.161 1.279) 10.667 5.664 ( 0.443 7.484 0.065) 7.498 5.882 ( 3.797 1.390 1.440) 4.292 6.194 ( 1.932 1.466 0.072) 2.426 6.605 ( -6.047 -3.130 -3.336) 7.582 6.854 ( -5.439 -3.283 0.842) 6.408 8.027 ( 2.546 -3.041 1.901) 4.398 ======================= Grid point 890 (258/288) ======================= q-point: ( 0.43 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -0.000 11.325 10.120) 15.188 1.399 ( -0.000 9.360 10.768) 14.267 1.429 ( 0.000 4.452 -11.084) 11.944 1.794 ( 0.000 8.003 -4.660) 9.261 2.169 ( -0.000 16.082 13.498) 20.995 2.754 ( 0.000 1.673 -9.499) 9.645 5.152 ( -0.000 5.594 0.671) 5.635 6.121 ( 0.000 0.727 -0.194) 0.752 6.213 ( 0.000 17.858 -8.562) 19.804 6.217 ( 0.000 -3.162 -0.329) 3.180 7.903 ( -0.000 -14.866 4.816) 15.627 8.162 ( 0.000 -2.105 -5.134) 5.549 ======================= Grid point 891 (259/288) ======================= q-point: ( 0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -1.927 9.575 1.910) 9.952 1.429 ( 0.331 3.132 0.379) 3.173 1.634 ( 6.843 12.079 3.895) 14.418 1.865 ( 1.524 6.110 -5.226) 8.183 2.407 ( 5.319 12.429 3.672) 14.009 2.830 ( 4.572 11.257 -2.061) 12.324 5.246 ( 3.062 7.076 0.473) 7.724 6.043 ( -3.064 -5.686 -1.029) 6.540 6.183 ( -0.327 -2.563 -0.349) 2.608 6.446 ( 6.123 13.333 -4.076) 15.228 7.718 ( -4.204 -15.990 3.635) 16.928 8.100 ( -3.098 -1.153 -4.612) 5.674 ======================= Grid point 892 (260/288) ======================= q-point: ( 0.57 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 2.121 8.488 -0.408) 8.759 1.481 ( -0.158 5.452 2.845) 6.152 1.865 ( 4.015 6.727 3.692) 8.660 1.971 ( 5.976 9.522 -4.450) 12.090 2.589 ( 4.669 5.798 -1.489) 7.591 3.119 ( 10.418 16.241 1.154) 19.329 5.401 ( 4.862 8.816 0.488) 10.079 5.926 ( -3.550 -4.318 -0.503) 5.613 6.156 ( -0.364 -0.896 -0.588) 1.132 6.620 ( 4.412 3.921 -2.597) 6.449 7.465 ( -7.729 -14.159 1.814) 16.233 8.017 ( -2.938 -1.846 -2.095) 4.053 ======================= Grid point 893 (261/288) ======================= q-point: ( 0.64 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -0.665 7.916 0.096) 7.944 1.568 ( 4.495 6.733 3.816) 8.950 1.941 ( 1.629 1.286 0.021) 2.075 2.218 ( 6.923 13.346 -0.452) 15.041 2.690 ( 2.544 2.416 -1.743) 3.917 3.470 ( 11.284 12.753 0.251) 17.031 5.584 ( 4.378 9.907 0.623) 10.849 5.847 ( -1.515 -1.839 0.661) 2.473 6.153 ( 0.321 0.875 -0.683) 1.156 6.673 ( 1.019 -0.405 -3.215) 3.397 7.184 ( -9.755 -10.518 0.823) 14.369 7.958 ( -0.214 -3.511 0.502) 3.553 ======================= Grid point 894 (262/288) ======================= q-point: ( 0.71 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -1.138 6.572 0.907) 6.731 1.728 ( 3.410 7.477 2.768) 8.672 1.975 ( 1.885 -0.045 -0.889) 2.085 2.437 ( 3.635 9.460 0.262) 10.137 2.722 ( -1.277 3.992 -2.043) 4.662 3.755 ( 9.456 6.650 0.400) 11.567 5.742 ( 1.734 9.573 0.684) 9.752 5.848 ( 1.805 0.798 1.494) 2.475 6.179 ( 1.289 1.353 -0.537) 1.944 6.645 ( -2.208 -0.786 -3.420) 4.146 6.937 ( -8.133 -5.959 0.930) 10.126 7.940 ( 2.446 -4.946 1.432) 5.701 ======================= Grid point 906 (263/288) ======================= q-point: ( 0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 0.000 1.628 -7.639) 7.811 1.465 ( 0.000 8.475 -0.882) 8.520 1.728 ( -0.000 13.784 4.828) 14.605 1.885 ( 0.000 3.842 -4.649) 6.031 2.495 ( -0.000 10.234 2.183) 10.464 2.939 ( -0.000 17.891 2.252) 18.032 5.290 ( -0.000 7.479 0.018) 7.479 6.008 ( 0.000 -5.570 -2.336) 6.040 6.156 ( -0.000 -2.418 0.151) 2.423 6.515 ( -0.000 9.780 0.178) 9.781 7.591 ( -0.000 -17.226 2.654) 17.430 8.106 ( 0.000 -0.608 -5.081) 5.117 ======================= Grid point 907 (264/288) ======================= q-point: ( 0.57 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 3.011 3.430 -4.427) 6.358 1.537 ( 0.572 6.749 -4.690) 8.238 1.901 ( 1.013 5.658 2.211) 6.159 1.949 ( 5.814 10.501 -1.810) 12.139 2.600 ( 1.384 6.245 1.550) 6.582 3.184 ( 4.117 19.933 2.494) 20.506 5.406 ( 4.074 8.135 -0.188) 9.101 5.928 ( -2.016 -4.182 -2.397) 5.225 6.142 ( 0.429 -1.033 0.077) 1.122 6.607 ( 1.598 3.743 2.125) 4.591 7.400 ( -2.609 -16.390 1.302) 16.647 8.056 ( -3.230 -0.563 -3.974) 5.152 ======================= Grid point 908 (265/288) ======================= q-point: ( 0.64 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 5.972 4.002 0.433) 7.202 1.608 ( 1.341 7.424 -4.520) 8.794 1.940 ( 0.381 1.615 0.280) 1.682 2.216 ( 8.510 12.952 0.100) 15.498 2.677 ( 1.780 2.949 1.125) 3.624 3.468 ( 5.787 16.198 0.773) 17.218 5.587 ( 6.221 8.894 -0.160) 10.855 5.856 ( -1.660 -1.774 -1.354) 2.781 6.150 ( 0.671 0.644 -0.126) 0.939 6.651 ( 0.749 -0.093 1.585) 1.756 7.186 ( -4.269 -13.494 0.288) 14.156 7.969 ( -4.021 -1.519 -1.857) 4.683 ======================= Grid point 909 (266/288) ======================= q-point: ( 0.71 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 2.294 3.973 0.000) 4.588 1.739 ( 4.606 7.978 -0.000) 9.213 1.955 ( 0.208 0.360 -0.000) 0.415 2.453 ( 4.348 7.531 -0.000) 8.696 2.757 ( 3.541 6.133 -0.000) 7.082 3.700 ( 5.328 9.228 -0.000) 10.655 5.778 ( 4.624 8.009 -0.000) 9.248 5.840 ( 0.800 1.385 -0.000) 1.600 6.173 ( 0.675 1.170 -0.000) 1.351 6.655 ( -0.037 -0.064 -0.000) 0.074 6.988 ( -5.104 -8.840 -0.000) 10.208 7.887 ( -1.924 -3.333 -0.000) 3.848 ======================= Grid point 922 (267/288) ======================= q-point: ( 0.57 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 0.000 2.717 -4.712) 5.439 1.569 ( 0.000 5.602 -9.686) 11.189 1.933 ( 0.000 2.858 -0.031) 2.859 2.018 ( -0.000 12.419 2.204) 12.613 2.653 ( -0.000 4.028 3.323) 5.222 3.367 ( -0.000 20.285 2.043) 20.387 5.441 ( 0.000 7.100 -0.541) 7.120 5.900 ( 0.000 -2.886 -3.470) 4.514 6.133 ( -0.000 0.111 0.536) 0.547 6.635 ( -0.000 1.335 4.949) 5.126 7.253 ( 0.000 -16.344 -0.010) 16.344 8.074 ( 0.000 0.140 -4.035) 4.037 ======================= Grid point 923 (268/288) ======================= q-point: ( 0.64 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 5.124 3.036 -1.874) 6.244 1.617 ( 2.400 5.679 -7.952) 10.062 1.962 ( -0.246 2.443 1.007) 2.654 2.203 ( 6.335 11.348 0.789) 13.021 2.688 ( 0.176 0.757 3.224) 3.317 3.582 ( 1.628 17.112 0.579) 17.199 5.557 ( 5.323 6.641 -0.570) 8.530 5.861 ( -0.988 -0.553 -2.889) 3.103 6.148 ( 0.592 1.470 0.379) 1.630 6.651 ( -0.063 -1.245 5.175) 5.322 7.084 ( -0.989 -14.159 -0.973) 14.227 8.031 ( -3.693 0.172 -2.934) 4.719 ======================= Grid point 939 (269/288) ======================= q-point: (-0.36 -0.36 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 0.000 2.974 -1.530) 3.344 1.626 ( 0.000 5.802 -6.081) 8.405 1.996 ( -0.000 2.487 1.524) 2.917 2.251 ( -0.000 9.469 0.645) 9.491 2.690 ( -0.000 -2.337 3.149) 3.922 3.735 ( 0.000 14.799 -0.441) 14.805 5.561 ( 0.000 4.858 -0.227) 4.863 5.866 ( 0.000 1.703 -2.743) 3.229 6.165 ( -0.000 2.466 0.147) 2.470 6.645 ( -0.000 -3.781 5.766) 6.895 6.952 ( 0.000 -11.528 -1.889) 11.682 8.062 ( 0.000 0.653 -2.715) 2.792 ======================= Grid point 1078 (270/288) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -0.000 0.000 17.022) 17.022 0.933 ( -0.000 0.000 17.022) 17.022 1.503 ( 0.000 -0.000 -9.098) 9.098 1.503 ( 0.000 -0.000 -9.098) 9.098 1.790 ( -0.000 0.000 34.965) 34.965 3.025 ( 0.000 -0.000 -23.147) 23.147 5.038 ( -0.000 0.000 0.986) 0.986 5.038 ( -0.000 0.000 0.986) 0.986 6.297 ( 0.000 -0.000 -0.607) 0.607 6.297 ( 0.000 -0.000 -0.607) 0.607 8.126 ( -0.000 0.000 1.981) 1.981 8.378 ( 0.000 -0.000 -0.927) 0.927 ======================= Grid point 1079 (271/288) ======================= q-point: ( 0.43 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 1.339 0.773 16.923) 16.993 1.191 ( 9.411 5.433 17.141) 20.296 1.485 ( 3.534 2.041 -11.826) 12.511 1.552 ( 4.093 2.363 -8.423) 9.658 1.957 ( 6.713 3.876 26.960) 28.053 2.824 ( -6.480 -3.741 -17.347) 18.892 5.070 ( 2.396 1.384 0.736) 2.863 5.536 ( 32.595 18.819 -7.829) 38.443 6.247 ( -3.911 -2.258 -0.609) 4.557 6.274 ( -1.710 -0.987 -0.564) 2.053 8.107 ( -2.447 -1.413 2.639) 3.866 8.263 ( -8.464 -4.887 -1.477) 9.885 ======================= Grid point 1080 (272/288) ======================= q-point: ( 0.50 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 5.152 2.974 13.613) 14.856 1.328 ( -0.644 -0.372 13.844) 13.864 1.643 ( 10.555 6.094 -5.886) 13.535 1.651 ( 6.431 3.713 -6.996) 10.202 2.261 ( 13.017 7.516 10.665) 18.430 2.745 ( 4.230 2.442 -10.352) 11.447 5.154 ( 4.614 2.664 0.530) 5.354 6.111 ( -3.704 -2.138 0.033) 4.277 6.216 ( 21.333 12.316 -8.397) 26.025 6.220 ( -2.541 -1.467 -0.548) 2.985 7.952 ( -13.047 -7.532 3.665) 15.504 8.092 ( -3.155 -1.822 -2.464) 4.398 ======================= Grid point 1081 (273/288) ======================= q-point: ( 0.57 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 5.130 2.962 8.558) 10.408 1.367 ( 1.935 1.117 10.147) 10.390 1.817 ( 9.082 5.243 -4.372) 11.362 1.836 ( 6.175 3.565 -0.887) 7.186 2.542 ( 9.028 5.212 -2.007) 10.616 2.978 ( 15.915 9.189 -1.975) 18.483 5.285 ( 6.218 3.590 0.504) 7.198 5.974 ( -5.784 -3.339 1.037) 6.758 6.163 ( -1.929 -1.113 -0.571) 2.299 6.581 ( 10.238 5.911 -6.782) 13.629 7.611 ( -15.663 -9.043 0.952) 18.111 8.043 ( -1.148 -0.663 1.320) 1.871 ======================= Grid point 1082 (274/288) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 3.721 2.149 4.157) 5.979 1.482 ( 4.890 2.823 9.158) 10.759 1.938 ( 3.215 1.856 -1.162) 3.890 2.037 ( 9.980 5.762 -1.922) 11.683 2.684 ( 3.646 2.105 -3.359) 5.386 3.379 ( 17.029 9.832 -0.601) 19.673 5.436 ( 6.130 3.539 0.511) 7.097 5.873 ( -2.787 -1.609 2.251) 3.927 6.137 ( 0.070 0.041 -0.510) 0.517 6.688 ( 1.533 0.885 -6.785) 7.012 7.249 ( -14.823 -8.558 1.011) 17.146 8.042 ( 0.270 0.156 3.005) 3.021 ======================= Grid point 1094 (275/288) ======================= q-point: ( 0.43 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -0.000 7.731 16.687) 18.391 1.186 ( -0.000 10.147 9.810) 14.113 1.406 ( 0.000 -1.154 -8.199) 8.279 1.575 ( 0.000 9.285 -10.025) 13.664 2.025 ( -0.000 4.434 26.564) 26.931 2.771 ( 0.000 -6.660 -17.780) 18.986 5.070 ( -0.000 2.713 0.748) 2.814 5.513 ( 0.000 35.901 -5.695) 36.350 6.249 ( 0.000 -4.155 -0.761) 4.224 6.271 ( 0.000 -2.075 -0.378) 2.109 8.111 ( -0.000 -3.305 2.473) 4.128 8.265 ( 0.000 -8.935 -1.719) 9.099 ======================= Grid point 1095 (276/288) ======================= q-point: ( 0.50 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -1.993 8.468 11.988) 14.812 1.391 ( -0.679 1.314 3.593) 3.886 1.448 ( 11.530 6.707 0.372) 13.345 1.664 ( 2.084 10.720 -9.432) 14.430 2.208 ( 6.242 8.102 14.794) 17.986 2.686 ( 1.254 1.423 -11.470) 11.626 5.130 ( 2.537 4.298 0.477) 5.013 6.010 ( 15.596 25.731 -4.839) 30.476 6.165 ( -3.129 -4.746 -1.208) 5.812 6.235 ( -1.286 -2.419 -0.362) 2.764 8.026 ( -4.968 -11.450 4.697) 13.336 8.125 ( -4.014 -3.330 -4.282) 6.748 ======================= Grid point 1096 (277/288) ======================= q-point: ( 0.57 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 1.502 6.797 7.421) 10.175 1.408 ( -0.126 2.952 4.382) 5.286 1.703 ( 9.075 7.570 0.601) 11.833 1.802 ( 4.167 7.647 -3.859) 9.526 2.447 ( 7.843 7.201 0.466) 10.657 2.834 ( 10.775 10.954 -2.711) 15.603 5.247 ( 4.360 6.163 0.369) 7.559 6.028 ( -4.765 -5.186 0.510) 7.062 6.183 ( -1.802 -1.723 -0.402) 2.526 6.449 ( 11.538 11.813 -4.313) 17.067 7.748 ( -11.406 -12.738 0.967) 17.126 8.053 ( -1.530 -1.897 -0.041) 2.438 ======================= Grid point 1097 (278/288) ======================= q-point: ( 0.64 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 1.659 6.638 4.155) 8.005 1.483 ( 2.613 4.269 7.272) 8.828 1.900 ( 3.299 2.864 1.227) 4.538 1.960 ( 7.924 10.724 -3.123) 13.695 2.619 ( 5.458 3.950 -2.698) 7.258 3.201 ( 15.355 13.020 -1.151) 20.165 5.402 ( 4.833 7.586 0.484) 9.007 5.909 ( -3.386 -3.612 1.748) 5.250 6.145 ( -0.957 -0.248 -0.458) 1.090 6.638 ( 3.785 2.882 -4.631) 6.639 7.406 ( -13.310 -10.806 0.036) 17.144 8.027 ( 0.597 -2.481 2.510) 3.579 ======================= Grid point 1110 (279/288) ======================= q-point: ( 0.50 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 0.000 2.877 -12.938) 13.254 1.324 ( -0.000 6.714 9.815) 11.892 1.497 ( -0.000 10.157 10.057) 14.293 1.723 ( 0.000 10.150 -10.022) 14.265 2.287 ( -0.000 9.652 10.662) 14.382 2.678 ( 0.000 6.615 -6.137) 9.024 5.157 ( -0.000 5.459 0.307) 5.467 6.125 ( -0.000 -0.870 0.861) 1.224 6.155 ( 0.000 20.758 -4.077) 21.155 6.215 ( 0.000 -3.070 -0.025) 3.070 7.943 ( -0.000 -15.506 3.857) 15.979 8.118 ( 0.000 -2.256 -4.473) 5.010 ======================= Grid point 1111 (280/288) ======================= q-point: ( 0.57 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 0.750 4.596 -4.162) 6.245 1.423 ( 1.999 3.924 -0.438) 4.426 1.684 ( 5.314 11.573 5.483) 13.865 1.810 ( 2.120 7.284 -5.452) 9.342 2.437 ( 3.137 9.173 2.531) 10.019 2.821 ( 4.937 14.907 0.129) 15.704 5.248 ( 3.134 6.951 0.057) 7.625 6.034 ( -2.627 -6.293 -0.927) 6.882 6.181 ( -0.497 -2.504 0.013) 2.553 6.429 ( 5.495 15.114 0.201) 16.083 7.744 ( -4.671 -16.426 1.795) 17.172 8.066 ( -2.130 -1.472 -2.790) 3.807 ======================= Grid point 1112 (281/288) ======================= q-point: ( 0.64 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 3.953 6.846 -0.000) 7.906 1.494 ( 2.122 3.675 0.000) 4.243 1.893 ( 1.897 3.286 0.000) 3.794 1.940 ( 7.795 13.501 -0.000) 15.589 2.582 ( 3.601 6.237 -0.000) 7.202 3.124 ( 9.757 16.900 -0.000) 19.514 5.403 ( 5.040 8.729 -0.000) 10.079 5.924 ( -2.773 -4.803 -0.000) 5.546 6.153 ( -0.511 -0.884 -0.000) 1.021 6.608 ( 2.955 5.118 -0.000) 5.909 7.473 ( -8.168 -14.148 -0.000) 16.337 8.007 ( -1.438 -2.491 -0.000) 2.877 ======================= Grid point 1126 (282/288) ======================= q-point: ( 0.57 0.57 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 0.000 3.611 -8.892) 9.597 1.439 ( 0.000 4.115 -5.375) 6.770 1.774 ( -0.000 12.037 5.055) 13.056 1.846 ( 0.000 5.985 -3.131) 6.754 2.519 ( -0.000 9.307 2.941) 9.761 2.959 ( -0.000 19.192 2.203) 19.318 5.289 ( 0.000 7.282 -0.270) 7.287 5.988 ( 0.000 -6.227 -2.002) 6.541 6.159 ( -0.000 -2.290 0.401) 2.325 6.533 ( -0.000 11.232 3.813) 11.862 7.609 ( -0.000 -17.901 1.199) 17.941 8.066 ( 0.000 -0.747 -3.651) 3.727 ======================= Grid point 1300 (283/288) ======================= q-point: ( 0.43 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -0.000 0.000 12.864) 12.864 1.070 ( -0.000 0.000 12.864) 12.864 1.419 ( 0.000 -0.000 -8.838) 8.838 1.419 ( 0.000 -0.000 -8.838) 8.838 2.079 ( -0.000 0.000 28.094) 28.094 2.815 ( 0.000 -0.000 -22.207) 22.207 5.045 ( -0.000 0.000 0.549) 0.549 5.045 ( -0.000 0.000 0.549) 0.549 6.293 ( 0.000 -0.000 -0.339) 0.339 6.293 ( 0.000 -0.000 -0.339) 0.339 8.141 ( -0.000 0.000 1.163) 1.163 8.371 ( 0.000 -0.000 -0.582) 0.582 ======================= Grid point 1301 (284/288) ======================= q-point: ( 0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 1.328 0.767 14.951) 15.029 1.313 ( 13.139 7.586 3.389) 15.546 1.391 ( 0.540 0.312 -2.508) 2.584 1.470 ( 4.425 2.555 -9.522) 10.806 2.171 ( 2.474 1.428 18.429) 18.649 2.670 ( -3.800 -2.194 -14.791) 15.428 5.074 ( 2.357 1.361 0.255) 2.734 5.489 ( 30.403 17.553 -2.893) 35.226 6.243 ( -3.923 -2.265 -0.182) 4.533 6.271 ( -1.731 -0.999 -0.281) 2.019 8.125 ( -1.540 -0.889 1.203) 2.147 8.253 ( -9.287 -5.362 -0.695) 10.746 ======================= Grid point 1302 (285/288) ======================= q-point: ( 0.57 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 3.620 2.090 13.657) 14.282 1.387 ( 0.619 0.357 -2.010) 2.133 1.580 ( 7.505 4.333 -8.568) 12.187 1.639 ( 11.351 6.554 6.238) 14.516 2.328 ( 7.749 4.474 2.426) 9.271 2.669 ( 7.268 4.196 -4.778) 9.657 5.157 ( 4.645 2.682 0.122) 5.365 6.118 ( -3.107 -1.794 1.575) 3.918 6.159 ( 20.830 12.026 -4.139) 24.406 6.216 ( -2.588 -1.494 -0.289) 3.002 7.966 ( -14.142 -8.165 -0.807) 16.350 8.087 ( -1.757 -1.014 1.701) 2.647 ======================= Grid point 1316 (286/288) ======================= q-point: ( 0.50 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 0.000 4.266 -8.135) 9.186 1.218 ( -0.000 8.018 15.192) 17.178 1.392 ( -0.000 3.337 6.155) 7.002 1.475 ( 0.000 8.361 -12.024) 14.645 2.213 ( -0.000 1.386 11.581) 11.663 2.633 ( 0.000 -3.693 -9.085) 9.807 5.074 ( -0.000 2.702 0.276) 2.716 5.482 ( 0.000 34.529 -1.253) 34.551 6.244 ( 0.000 -4.413 -0.304) 4.423 6.269 ( 0.000 -2.035 -0.056) 2.035 8.126 ( -0.000 -1.964 0.906) 2.163 8.253 ( 0.000 -10.426 -0.771) 10.455 ======================= Grid point 1317 (287/288) ======================= q-point: ( 0.57 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 1.939 3.358 0.000) 3.878 1.350 ( 2.229 3.861 -0.000) 4.458 1.516 ( 3.659 6.338 -0.000) 7.319 1.593 ( 6.519 11.291 -0.000) 13.038 2.286 ( 3.140 5.439 0.000) 6.281 2.622 ( 2.332 4.039 -0.000) 4.664 5.132 ( 2.490 4.312 -0.000) 4.979 5.988 ( 15.513 26.869 -0.000) 31.025 6.159 ( -3.247 -5.625 -0.000) 6.495 6.233 ( -1.375 -2.381 -0.000) 2.750 8.055 ( -7.543 -13.065 -0.000) 15.086 8.098 ( -1.158 -2.006 -0.000) 2.317 ======================= Grid point 1527 (288/288) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -0.000 0.000 0.000) 0.000 1.138 ( -0.000 0.000 0.000) 0.000 1.370 ( -0.000 0.000 0.000) 0.000 1.370 ( -0.000 0.000 0.000) 0.000 2.233 ( 0.000 -0.000 -0.000) 0.000 2.688 ( -0.000 0.000 0.000) 0.000 5.047 ( -0.000 0.000 0.000) 0.000 5.047 ( -0.000 0.000 0.000) 0.000 6.291 ( -0.000 0.000 0.000) 0.000 6.291 ( -0.000 0.000 0.000) 0.000 8.146 ( -0.000 0.000 0.000) 0.000 8.368 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/32928 10.0 316.156 316.156 497.618 0.000 -0.000 0.000 3/32928 20.0 93.744 93.744 87.243 0.000 -0.000 0.000 3/32928 30.0 53.169 53.169 41.893 0.000 -0.000 0.000 3/32928 40.0 36.678 36.678 26.658 0.000 -0.000 0.000 3/32928 50.0 27.348 27.348 19.183 0.000 -0.000 0.000 3/32928 60.0 21.398 21.398 14.801 0.000 -0.000 0.000 3/32928 70.0 17.384 17.384 11.968 0.000 -0.000 0.000 3/32928 80.0 14.559 14.559 10.013 0.000 -0.000 0.000 3/32928 90.0 12.494 12.494 8.596 0.000 -0.000 0.000 3/32928 100.0 10.934 10.934 7.529 0.000 -0.000 0.000 3/32928 110.0 9.719 9.719 6.699 0.000 -0.000 0.000 3/32928 120.0 8.750 8.750 6.036 0.000 -0.000 0.000 3/32928 130.0 7.960 7.960 5.495 0.000 -0.000 0.000 3/32928 140.0 7.304 7.304 5.045 0.000 -0.000 0.000 3/32928 150.0 6.750 6.750 4.665 0.000 -0.000 0.000 3/32928 160.0 6.276 6.276 4.339 0.000 -0.000 0.000 3/32928 170.0 5.866 5.866 4.057 0.000 -0.000 0.000 3/32928 180.0 5.508 5.508 3.811 0.000 -0.000 0.000 3/32928 190.0 5.192 5.192 3.593 0.000 -0.000 0.000 3/32928 200.0 4.911 4.911 3.400 0.000 -0.000 0.000 3/32928 210.0 4.660 4.660 3.226 0.000 -0.000 0.000 3/32928 220.0 4.434 4.434 3.070 0.000 -0.000 0.000 3/32928 230.0 4.229 4.229 2.929 0.000 -0.000 0.000 3/32928 240.0 4.043 4.043 2.800 0.000 -0.000 0.000 3/32928 250.0 3.873 3.873 2.683 0.000 -0.000 0.000 3/32928 260.0 3.717 3.717 2.575 0.000 -0.000 0.000 3/32928 270.0 3.573 3.573 2.475 0.000 -0.000 0.000 3/32928 280.0 3.440 3.440 2.383 0.000 -0.000 0.000 3/32928 290.0 3.317 3.317 2.298 0.000 -0.000 0.000 3/32928 300.0 3.202 3.202 2.219 0.000 -0.000 0.000 3/32928 310.0 3.095 3.095 2.145 0.000 -0.000 0.000 3/32928 320.0 2.996 2.996 2.076 0.000 -0.000 0.000 3/32928 330.0 2.902 2.902 2.011 0.000 -0.000 0.000 3/32928 340.0 2.814 2.814 1.950 0.000 -0.000 0.000 3/32928 350.0 2.732 2.732 1.893 0.000 -0.000 0.000 3/32928 360.0 2.654 2.654 1.839 0.000 -0.000 0.000 3/32928 370.0 2.581 2.581 1.788 0.000 -0.000 0.000 3/32928 380.0 2.511 2.511 1.740 0.000 -0.000 0.000 3/32928 390.0 2.445 2.445 1.695 0.000 -0.000 0.000 3/32928 400.0 2.383 2.383 1.652 0.000 -0.000 0.000 3/32928 410.0 2.324 2.324 1.611 0.000 -0.000 0.000 3/32928 420.0 2.268 2.268 1.572 0.000 -0.000 0.000 3/32928 430.0 2.214 2.214 1.534 0.000 -0.000 0.000 3/32928 440.0 2.163 2.163 1.499 0.000 -0.000 0.000 3/32928 450.0 2.114 2.114 1.465 0.000 -0.000 0.000 3/32928 460.0 2.067 2.067 1.433 0.000 -0.000 0.000 3/32928 470.0 2.023 2.023 1.402 0.000 -0.000 0.000 3/32928 480.0 1.980 1.980 1.372 0.000 -0.000 0.000 3/32928 490.0 1.939 1.939 1.344 0.000 -0.000 0.000 3/32928 500.0 1.900 1.900 1.317 0.000 -0.000 0.000 3/32928 510.0 1.862 1.862 1.291 0.000 -0.000 0.000 3/32928 520.0 1.826 1.826 1.266 0.000 -0.000 0.000 3/32928 530.0 1.791 1.791 1.242 0.000 -0.000 0.000 3/32928 540.0 1.758 1.758 1.218 0.000 -0.000 0.000 3/32928 550.0 1.725 1.725 1.196 0.000 -0.000 0.000 3/32928 560.0 1.694 1.694 1.174 0.000 -0.000 0.000 3/32928 570.0 1.664 1.664 1.154 0.000 -0.000 0.000 3/32928 580.0 1.635 1.635 1.133 0.000 -0.000 0.000 3/32928 590.0 1.607 1.607 1.114 0.000 -0.000 0.000 3/32928 600.0 1.580 1.580 1.095 0.000 -0.000 0.000 3/32928 610.0 1.554 1.554 1.077 0.000 -0.000 0.000 3/32928 620.0 1.529 1.529 1.060 0.000 -0.000 0.000 3/32928 630.0 1.504 1.504 1.043 0.000 -0.000 0.000 3/32928 640.0 1.481 1.481 1.026 0.000 -0.000 0.000 3/32928 650.0 1.458 1.458 1.011 0.000 -0.000 0.000 3/32928 660.0 1.436 1.436 0.995 0.000 -0.000 0.000 3/32928 670.0 1.414 1.414 0.980 0.000 -0.000 0.000 3/32928 680.0 1.393 1.393 0.966 0.000 -0.000 0.000 3/32928 690.0 1.373 1.373 0.952 0.000 -0.000 0.000 3/32928 700.0 1.353 1.353 0.938 0.000 -0.000 0.000 3/32928 710.0 1.334 1.334 0.925 0.000 -0.000 0.000 3/32928 720.0 1.315 1.315 0.912 0.000 -0.000 0.000 3/32928 730.0 1.297 1.297 0.899 0.000 -0.000 0.000 3/32928 740.0 1.280 1.280 0.887 0.000 -0.000 0.000 3/32928 750.0 1.262 1.262 0.875 0.000 -0.000 0.000 3/32928 760.0 1.246 1.246 0.863 0.000 -0.000 0.000 3/32928 770.0 1.229 1.229 0.852 0.000 -0.000 0.000 3/32928 780.0 1.214 1.214 0.841 0.000 -0.000 0.000 3/32928 790.0 1.198 1.198 0.831 0.000 -0.000 0.000 3/32928 800.0 1.183 1.183 0.820 0.000 -0.000 0.000 3/32928 810.0 1.168 1.168 0.810 0.000 -0.000 0.000 3/32928 820.0 1.154 1.154 0.800 0.000 -0.000 0.000 3/32928 830.0 1.140 1.140 0.790 0.000 -0.000 0.000 3/32928 840.0 1.127 1.127 0.781 0.000 -0.000 0.000 3/32928 850.0 1.113 1.113 0.772 0.000 -0.000 0.000 3/32928 860.0 1.100 1.100 0.763 0.000 -0.000 0.000 3/32928 870.0 1.088 1.088 0.754 0.000 -0.000 0.000 3/32928 880.0 1.075 1.075 0.745 0.000 -0.000 0.000 3/32928 890.0 1.063 1.063 0.737 0.000 -0.000 0.000 3/32928 900.0 1.051 1.051 0.729 0.000 -0.000 0.000 3/32928 910.0 1.040 1.040 0.721 0.000 -0.000 0.000 3/32928 920.0 1.028 1.028 0.713 0.000 -0.000 0.000 3/32928 930.0 1.017 1.017 0.705 0.000 -0.000 0.000 3/32928 940.0 1.006 1.006 0.698 0.000 -0.000 0.000 3/32928 950.0 0.996 0.996 0.690 0.000 -0.000 0.000 3/32928 960.0 0.985 0.985 0.683 0.000 -0.000 0.000 3/32928 970.0 0.975 0.975 0.676 0.000 -0.000 0.000 3/32928 980.0 0.965 0.965 0.669 0.000 -0.000 0.000 3/32928 990.0 0.955 0.955 0.662 0.000 -0.000 0.000 3/32928 1000.0 0.946 0.946 0.656 0.000 -0.000 0.000 3/32928 Thermal conductivity related properties were written into "kappa-m141414.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:13:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|