----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:45:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.095681809693016 1.209942456962062 7.886703153333325 b -2.095681809693012 1.209942456962062 7.886703153333325 c 0.000000000000002 -2.419884913924129 7.886703153333325 Atomic positions (fractional): *1 Se 0.23228491533871 0.23228491533871 0.23228491533871 78.960 2 Se 0.76771508466129 0.76771508466129 0.76771508466129 78.960 *3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 *4 Tb 0.50000000000000 0.50000000000000 0.50000000000000 158.925 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.191363619386028 0.000000000000000 0.000000000000000 b -2.095681809693014 3.629827370886191 0.000000000000000 c 0.000000000000000 0.000000000000000 23.660109460000001 Atomic positions (fractional): *1 Se 0.00000000000000 0.00000000000000 0.23228491533871 78.960 > 1 2 Se 0.66666666666667 0.33333333333333 0.10104841799462 78.960 > 2 3 Se 0.66666666666667 0.33333333333333 0.56561824867204 78.960 > 1 4 Se 0.33333333333333 0.66666666666667 0.43438175132796 78.960 > 2 5 Se 0.33333333333333 0.66666666666667 0.89895158200537 78.960 > 1 6 Se 0.00000000000000 0.00000000000000 0.76771508466129 78.960 > 2 *7 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 8 Rb 0.66666666666667 0.33333333333333 0.33333333333333 85.468 > 3 9 Rb 0.33333333333333 0.66666666666667 0.66666666666667 85.468 > 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 12.574090858158083 0.000000000000000 0.000000000000000 b -6.287045429079042 10.889482112658573 0.000000000000000 c 0.000000000000000 0.000000000000000 23.660109460000001 Atomic positions (fractional): *1 Se 0.00000000000000 0.00000000000000 0.23228491533871 78.960 > 1 2 Se 0.33333333333333 0.00000000000000 0.23228491533871 78.960 > 1 3 Se 0.66666666666667 0.00000000000000 0.23228491533871 78.960 > 1 4 Se 0.00000000000000 0.33333333333333 0.23228491533871 78.960 > 1 5 Se 0.33333333333333 0.33333333333333 0.23228491533871 78.960 > 1 6 Se 0.66666666666667 0.33333333333333 0.23228491533871 78.960 > 1 7 Se 0.00000000000000 0.66666666666667 0.23228491533871 78.960 > 1 8 Se 0.33333333333333 0.66666666666667 0.23228491533871 78.960 > 1 9 Se 0.66666666666667 0.66666666666667 0.23228491533871 78.960 > 1 10 Se 0.22222222222222 0.11111111111111 0.10104841799462 78.960 > 2 11 Se 0.55555555555556 0.11111111111111 0.10104841799462 78.960 > 2 12 Se 0.88888888888889 0.11111111111111 0.10104841799462 78.960 > 2 13 Se 0.22222222222222 0.44444444444444 0.10104841799462 78.960 > 2 14 Se 0.55555555555556 0.44444444444444 0.10104841799462 78.960 > 2 15 Se 0.88888888888889 0.44444444444444 0.10104841799462 78.960 > 2 16 Se 0.22222222222222 0.77777777777778 0.10104841799462 78.960 > 2 17 Se 0.55555555555556 0.77777777777778 0.10104841799462 78.960 > 2 18 Se 0.88888888888889 0.77777777777778 0.10104841799462 78.960 > 2 19 Se 0.22222222222222 0.11111111111111 0.56561824867204 78.960 > 1 20 Se 0.55555555555556 0.11111111111111 0.56561824867204 78.960 > 1 21 Se 0.88888888888889 0.11111111111111 0.56561824867204 78.960 > 1 22 Se 0.22222222222222 0.44444444444444 0.56561824867204 78.960 > 1 23 Se 0.55555555555556 0.44444444444444 0.56561824867204 78.960 > 1 24 Se 0.88888888888889 0.44444444444444 0.56561824867204 78.960 > 1 25 Se 0.22222222222222 0.77777777777778 0.56561824867204 78.960 > 1 26 Se 0.55555555555556 0.77777777777778 0.56561824867204 78.960 > 1 27 Se 0.88888888888889 0.77777777777778 0.56561824867204 78.960 > 1 28 Se 0.11111111111111 0.22222222222222 0.43438175132796 78.960 > 2 29 Se 0.44444444444444 0.22222222222222 0.43438175132796 78.960 > 2 30 Se 0.77777777777778 0.22222222222222 0.43438175132796 78.960 > 2 31 Se 0.11111111111111 0.55555555555556 0.43438175132796 78.960 > 2 32 Se 0.44444444444444 0.55555555555556 0.43438175132796 78.960 > 2 33 Se 0.77777777777778 0.55555555555556 0.43438175132796 78.960 > 2 34 Se 0.11111111111111 0.88888888888889 0.43438175132796 78.960 > 2 35 Se 0.44444444444444 0.88888888888889 0.43438175132796 78.960 > 2 36 Se 0.77777777777778 0.88888888888889 0.43438175132796 78.960 > 2 37 Se 0.11111111111111 0.22222222222222 0.89895158200537 78.960 > 1 38 Se 0.44444444444444 0.22222222222222 0.89895158200537 78.960 > 1 39 Se 0.77777777777778 0.22222222222222 0.89895158200537 78.960 > 1 40 Se 0.11111111111111 0.55555555555556 0.89895158200537 78.960 > 1 41 Se 0.44444444444444 0.55555555555556 0.89895158200537 78.960 > 1 42 Se 0.77777777777778 0.55555555555556 0.89895158200537 78.960 > 1 43 Se 0.11111111111111 0.88888888888889 0.89895158200537 78.960 > 1 44 Se 0.44444444444444 0.88888888888889 0.89895158200537 78.960 > 1 45 Se 0.77777777777778 0.88888888888889 0.89895158200537 78.960 > 1 46 Se 0.00000000000000 0.00000000000000 0.76771508466129 78.960 > 2 47 Se 0.33333333333333 0.00000000000000 0.76771508466129 78.960 > 2 48 Se 0.66666666666667 0.00000000000000 0.76771508466129 78.960 > 2 49 Se 0.00000000000000 0.33333333333333 0.76771508466129 78.960 > 2 50 Se 0.33333333333333 0.33333333333333 0.76771508466129 78.960 > 2 51 Se 0.66666666666667 0.33333333333333 0.76771508466129 78.960 > 2 52 Se 0.00000000000000 0.66666666666667 0.76771508466129 78.960 > 2 53 Se 0.33333333333333 0.66666666666667 0.76771508466129 78.960 > 2 54 Se 0.66666666666667 0.66666666666667 0.76771508466129 78.960 > 2 *55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 3 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 3 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 3 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 3 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 3 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 3 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 3 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 3 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 3 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 3 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 3 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 3 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 3 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 3 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 3 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 3 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 3 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 3 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 3 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 3 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 3 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 3 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 3 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 3 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 3 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 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 ---------------------------- 6.5413046 0.0000000 0.0000000 0.0000000 6.5413046 0.0000000 0.0000000 0.0000000 4.7230582 -------------------------- Born effective charges -------------------------- 1 Se -2.8245561 -0.0000000 0.0000000 0.0000000 -2.8245561 0.0000000 0.0000000 0.0000000 -1.8491209 2 Se -2.8245561 -0.0000000 0.0000000 0.0000000 -2.8245561 0.0000000 0.0000000 0.0000000 -1.8491209 3 Rb 1.0498613 0.0000000 0.0000000 0.0000000 1.0498613 0.0000000 0.0000000 0.0000000 1.9412920 4 Tb 4.5992509 0.0000000 0.0000000 0.0000000 4.5992509 0.0000000 0.0000000 0.0000000 1.7569498 ---------------------------------------------------------------------------- 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): 7 --- Eigsh_solver_block: 1 / 7 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 7 --- Block_size: 60 Use standard eigh solver. --- Eigsh_solver_block: 3 / 7 --- Block_size: 54 Use standard eigh solver. --- Eigsh_solver_block: 4 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 7 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (54, 51), data: True |-- (60, 60), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 80 / 80 - Time: 0.109 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.116 --------------------------------- 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): 7 --- Eigsh_solver_block: 1 / 7 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 7 --- Block_size: 60 Use standard eigh solver. --- Eigsh_solver_block: 3 / 7 --- Block_size: 54 Use standard eigh solver. --- Eigsh_solver_block: 4 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 7 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (54, 51), data: True |-- (60, 60), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:45:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:45:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.095681809693016 1.209942456962062 7.886703153333325 b -2.095681809693012 1.209942456962062 7.886703153333325 c 0.000000000000002 -2.419884913924129 7.886703153333325 Atomic positions (fractional): 1 Se 0.23228491533871 0.23228491533871 0.23228491533871 78.960 2 Se 0.76771508466129 0.76771508466129 0.76771508466129 78.960 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Tb 0.50000000000000 0.50000000000000 0.50000000000000 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.574090858158083 0.000000000000000 0.000000000000000 b -6.287045429079042 10.889482112658573 0.000000000000000 c 0.000000000000000 0.000000000000000 23.660109460000001 Atomic positions (fractional): 1 Se 0.00000000000000 0.00000000000000 0.23228491533871 78.960 > 1 2 Se 0.33333333333333 0.00000000000000 0.23228491533871 78.960 > 1 3 Se 0.66666666666667 0.00000000000000 0.23228491533871 78.960 > 1 4 Se 0.00000000000000 0.33333333333333 0.23228491533871 78.960 > 1 5 Se 0.33333333333333 0.33333333333333 0.23228491533871 78.960 > 1 6 Se 0.66666666666667 0.33333333333333 0.23228491533871 78.960 > 1 7 Se 0.00000000000000 0.66666666666667 0.23228491533871 78.960 > 1 8 Se 0.33333333333333 0.66666666666667 0.23228491533871 78.960 > 1 9 Se 0.66666666666667 0.66666666666667 0.23228491533871 78.960 > 1 10 Se 0.22222222222222 0.11111111111111 0.10104841799462 78.960 > 10 11 Se 0.55555555555556 0.11111111111111 0.10104841799462 78.960 > 10 12 Se 0.88888888888889 0.11111111111111 0.10104841799462 78.960 > 10 13 Se 0.22222222222222 0.44444444444444 0.10104841799462 78.960 > 10 14 Se 0.55555555555556 0.44444444444444 0.10104841799462 78.960 > 10 15 Se 0.88888888888889 0.44444444444444 0.10104841799462 78.960 > 10 16 Se 0.22222222222222 0.77777777777778 0.10104841799462 78.960 > 10 17 Se 0.55555555555556 0.77777777777778 0.10104841799462 78.960 > 10 18 Se 0.88888888888889 0.77777777777778 0.10104841799462 78.960 > 10 19 Se 0.22222222222222 0.11111111111111 0.56561824867204 78.960 > 1 20 Se 0.55555555555556 0.11111111111111 0.56561824867204 78.960 > 1 21 Se 0.88888888888889 0.11111111111111 0.56561824867204 78.960 > 1 22 Se 0.22222222222222 0.44444444444444 0.56561824867204 78.960 > 1 23 Se 0.55555555555556 0.44444444444444 0.56561824867204 78.960 > 1 24 Se 0.88888888888889 0.44444444444444 0.56561824867204 78.960 > 1 25 Se 0.22222222222222 0.77777777777778 0.56561824867204 78.960 > 1 26 Se 0.55555555555556 0.77777777777778 0.56561824867204 78.960 > 1 27 Se 0.88888888888889 0.77777777777778 0.56561824867204 78.960 > 1 28 Se 0.11111111111111 0.22222222222222 0.43438175132796 78.960 > 10 29 Se 0.44444444444444 0.22222222222222 0.43438175132796 78.960 > 10 30 Se 0.77777777777778 0.22222222222222 0.43438175132796 78.960 > 10 31 Se 0.11111111111111 0.55555555555556 0.43438175132796 78.960 > 10 32 Se 0.44444444444444 0.55555555555556 0.43438175132796 78.960 > 10 33 Se 0.77777777777778 0.55555555555556 0.43438175132796 78.960 > 10 34 Se 0.11111111111111 0.88888888888889 0.43438175132796 78.960 > 10 35 Se 0.44444444444444 0.88888888888889 0.43438175132796 78.960 > 10 36 Se 0.77777777777778 0.88888888888889 0.43438175132796 78.960 > 10 37 Se 0.11111111111111 0.22222222222222 0.89895158200537 78.960 > 1 38 Se 0.44444444444444 0.22222222222222 0.89895158200537 78.960 > 1 39 Se 0.77777777777778 0.22222222222222 0.89895158200537 78.960 > 1 40 Se 0.11111111111111 0.55555555555556 0.89895158200537 78.960 > 1 41 Se 0.44444444444444 0.55555555555556 0.89895158200537 78.960 > 1 42 Se 0.77777777777778 0.55555555555556 0.89895158200537 78.960 > 1 43 Se 0.11111111111111 0.88888888888889 0.89895158200537 78.960 > 1 44 Se 0.44444444444444 0.88888888888889 0.89895158200537 78.960 > 1 45 Se 0.77777777777778 0.88888888888889 0.89895158200537 78.960 > 1 46 Se 0.00000000000000 0.00000000000000 0.76771508466129 78.960 > 10 47 Se 0.33333333333333 0.00000000000000 0.76771508466129 78.960 > 10 48 Se 0.66666666666667 0.00000000000000 0.76771508466129 78.960 > 10 49 Se 0.00000000000000 0.33333333333333 0.76771508466129 78.960 > 10 50 Se 0.33333333333333 0.33333333333333 0.76771508466129 78.960 > 10 51 Se 0.66666666666667 0.33333333333333 0.76771508466129 78.960 > 10 52 Se 0.00000000000000 0.66666666666667 0.76771508466129 78.960 > 10 53 Se 0.33333333333333 0.66666666666667 0.76771508466129 78.960 > 10 54 Se 0.66666666666667 0.66666666666667 0.76771508466129 78.960 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 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 ---------------------------- 6.5413046 0.0000000 0.0000000 0.0000000 6.5413046 0.0000000 0.0000000 0.0000000 4.7230582 -------------------------- Born effective charges -------------------------- 1 Se -2.8245561 -0.0000000 0.0000000 0.0000000 -2.8245561 0.0000000 0.0000000 0.0000000 -1.8491209 2 Se -2.8245561 -0.0000000 0.0000000 0.0000000 -2.8245561 0.0000000 0.0000000 0.0000000 -1.8491209 3 Rb 1.0498613 0.0000000 0.0000000 0.0000000 1.0498613 0.0000000 0.0000000 0.0000000 1.9412920 4 Tb 4.5992509 0.0000000 0.0000000 0.0000000 4.5992509 0.0000000 0.0000000 0.0000000 1.7569498 ---------------------------------------------------------------------------- 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 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:45:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:45:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.095681809693016 1.209942456962062 7.886703153333325 b -2.095681809693012 1.209942456962062 7.886703153333325 c 0.000000000000002 -2.419884913924129 7.886703153333325 Atomic positions (fractional): 1 Se 0.23228491533871 0.23228491533871 0.23228491533871 78.960 2 Se 0.76771508466129 0.76771508466129 0.76771508466129 78.960 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Tb 0.50000000000000 0.50000000000000 0.50000000000000 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.574090858158083 0.000000000000000 0.000000000000000 b -6.287045429079042 10.889482112658573 0.000000000000000 c 0.000000000000000 0.000000000000000 23.660109460000001 Atomic positions (fractional): 1 Se 0.00000000000000 0.00000000000000 0.23228491533871 78.960 > 1 2 Se 0.33333333333333 0.00000000000000 0.23228491533871 78.960 > 1 3 Se 0.66666666666667 0.00000000000000 0.23228491533871 78.960 > 1 4 Se 0.00000000000000 0.33333333333333 0.23228491533871 78.960 > 1 5 Se 0.33333333333333 0.33333333333333 0.23228491533871 78.960 > 1 6 Se 0.66666666666667 0.33333333333333 0.23228491533871 78.960 > 1 7 Se 0.00000000000000 0.66666666666667 0.23228491533871 78.960 > 1 8 Se 0.33333333333333 0.66666666666667 0.23228491533871 78.960 > 1 9 Se 0.66666666666667 0.66666666666667 0.23228491533871 78.960 > 1 10 Se 0.22222222222222 0.11111111111111 0.10104841799462 78.960 > 10 11 Se 0.55555555555556 0.11111111111111 0.10104841799462 78.960 > 10 12 Se 0.88888888888889 0.11111111111111 0.10104841799462 78.960 > 10 13 Se 0.22222222222222 0.44444444444444 0.10104841799462 78.960 > 10 14 Se 0.55555555555556 0.44444444444444 0.10104841799462 78.960 > 10 15 Se 0.88888888888889 0.44444444444444 0.10104841799462 78.960 > 10 16 Se 0.22222222222222 0.77777777777778 0.10104841799462 78.960 > 10 17 Se 0.55555555555556 0.77777777777778 0.10104841799462 78.960 > 10 18 Se 0.88888888888889 0.77777777777778 0.10104841799462 78.960 > 10 19 Se 0.22222222222222 0.11111111111111 0.56561824867204 78.960 > 1 20 Se 0.55555555555556 0.11111111111111 0.56561824867204 78.960 > 1 21 Se 0.88888888888889 0.11111111111111 0.56561824867204 78.960 > 1 22 Se 0.22222222222222 0.44444444444444 0.56561824867204 78.960 > 1 23 Se 0.55555555555556 0.44444444444444 0.56561824867204 78.960 > 1 24 Se 0.88888888888889 0.44444444444444 0.56561824867204 78.960 > 1 25 Se 0.22222222222222 0.77777777777778 0.56561824867204 78.960 > 1 26 Se 0.55555555555556 0.77777777777778 0.56561824867204 78.960 > 1 27 Se 0.88888888888889 0.77777777777778 0.56561824867204 78.960 > 1 28 Se 0.11111111111111 0.22222222222222 0.43438175132796 78.960 > 10 29 Se 0.44444444444444 0.22222222222222 0.43438175132796 78.960 > 10 30 Se 0.77777777777778 0.22222222222222 0.43438175132796 78.960 > 10 31 Se 0.11111111111111 0.55555555555556 0.43438175132796 78.960 > 10 32 Se 0.44444444444444 0.55555555555556 0.43438175132796 78.960 > 10 33 Se 0.77777777777778 0.55555555555556 0.43438175132796 78.960 > 10 34 Se 0.11111111111111 0.88888888888889 0.43438175132796 78.960 > 10 35 Se 0.44444444444444 0.88888888888889 0.43438175132796 78.960 > 10 36 Se 0.77777777777778 0.88888888888889 0.43438175132796 78.960 > 10 37 Se 0.11111111111111 0.22222222222222 0.89895158200537 78.960 > 1 38 Se 0.44444444444444 0.22222222222222 0.89895158200537 78.960 > 1 39 Se 0.77777777777778 0.22222222222222 0.89895158200537 78.960 > 1 40 Se 0.11111111111111 0.55555555555556 0.89895158200537 78.960 > 1 41 Se 0.44444444444444 0.55555555555556 0.89895158200537 78.960 > 1 42 Se 0.77777777777778 0.55555555555556 0.89895158200537 78.960 > 1 43 Se 0.11111111111111 0.88888888888889 0.89895158200537 78.960 > 1 44 Se 0.44444444444444 0.88888888888889 0.89895158200537 78.960 > 1 45 Se 0.77777777777778 0.88888888888889 0.89895158200537 78.960 > 1 46 Se 0.00000000000000 0.00000000000000 0.76771508466129 78.960 > 10 47 Se 0.33333333333333 0.00000000000000 0.76771508466129 78.960 > 10 48 Se 0.66666666666667 0.00000000000000 0.76771508466129 78.960 > 10 49 Se 0.00000000000000 0.33333333333333 0.76771508466129 78.960 > 10 50 Se 0.33333333333333 0.33333333333333 0.76771508466129 78.960 > 10 51 Se 0.66666666666667 0.33333333333333 0.76771508466129 78.960 > 10 52 Se 0.00000000000000 0.66666666666667 0.76771508466129 78.960 > 10 53 Se 0.33333333333333 0.66666666666667 0.76771508466129 78.960 > 10 54 Se 0.66666666666667 0.66666666666667 0.76771508466129 78.960 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 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 ---------------------------- 6.5413046 0.0000000 0.0000000 0.0000000 6.5413046 0.0000000 0.0000000 0.0000000 4.7230582 -------------------------- Born effective charges -------------------------- 1 Se -2.8245561 -0.0000000 0.0000000 0.0000000 -2.8245561 0.0000000 0.0000000 0.0000000 -1.8491209 2 Se -2.8245561 -0.0000000 0.0000000 0.0000000 -2.8245561 0.0000000 0.0000000 0.0000000 -1.8491209 3 Rb 1.0498613 0.0000000 0.0000000 0.0000000 1.0498613 0.0000000 0.0000000 0.0000000 1.9412920 4 Tb 4.5992509 0.0000000 0.0000000 0.0000000 4.5992509 0.0000000 0.0000000 0.0000000 1.7569498 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 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: 0.84, Number of G-points: 301, 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: 4.63e-04 4.63e-04 1.10e-04 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 2.049 ( 0.000 0.000 0.000) 0.000 2.049 ( 0.000 0.000 0.000) 0.000 3.211 ( 0.000 0.000 0.000) 0.000 3.627 ( 0.000 0.000 0.000) 0.000 3.627 ( 0.000 0.000 0.000) 0.000 3.840 ( 0.000 0.000 0.000) 0.000 3.840 ( 0.000 0.000 0.000) 0.000 4.833 ( 0.000 0.000 0.000) 0.000 5.120 ( 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: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( 15.860 9.157 -5.098) 19.010 0.381 ( 17.385 10.037 -5.027) 20.695 0.748 ( 30.828 17.799 12.473) 37.719 2.053 ( 0.180 0.104 1.103) 1.122 2.082 ( 3.052 1.762 -2.685) 4.430 3.177 ( -2.986 -1.724 0.232) 3.456 3.635 ( 0.612 0.353 0.346) 0.787 3.832 ( -0.677 -0.391 -0.255) 0.822 3.895 ( 4.332 2.501 0.772) 5.061 4.803 ( -2.201 -1.271 -1.751) 3.086 5.052 ( -3.628 -2.095 -5.571) 6.970 5.697 ( -2.448 -1.414 -2.199) 3.582 ======================= Grid point 2 (3/288) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 16.365 9.449 -5.243) 19.611 0.757 ( 17.110 9.879 -6.505) 20.801 1.465 ( 28.925 16.700 10.369) 34.972 2.063 ( 0.251 0.145 2.232) 2.251 2.156 ( 4.145 2.393 -5.265) 7.115 3.094 ( -4.144 -2.393 1.036) 4.896 3.658 ( 1.362 0.786 0.539) 1.662 3.812 ( -0.909 -0.525 -0.474) 1.152 4.019 ( 5.737 3.312 1.380) 6.767 4.733 ( -3.173 -1.832 -2.375) 4.367 4.900 ( -9.457 -5.460 4.299) 11.736 5.609 ( -3.934 -2.272 -7.248) 8.554 ======================= Grid point 3 (4/288) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 16.252 9.383 -5.619) 19.590 1.112 ( 15.987 9.230 -8.468) 20.310 2.077 ( 0.170 0.098 3.436) 3.441 2.103 ( 23.757 13.716 3.115) 27.609 2.232 ( 4.754 2.745 -2.748) 6.139 3.010 ( -3.884 -2.242 5.441) 7.051 3.700 ( 2.124 1.226 0.645) 2.536 3.792 ( -0.546 -0.315 -0.727) 0.962 4.140 ( 4.160 2.402 0.964) 4.900 4.647 ( -6.931 -4.001 -1.683) 8.178 4.667 ( -8.734 -5.043 5.705) 11.588 5.482 ( -4.995 -2.884 -8.836) 10.552 ======================= Grid point 4 (5/288) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 14.781 8.534 -6.271) 18.183 1.425 ( 13.882 8.015 -10.138) 18.966 2.091 ( -0.070 -0.040 4.744) 4.745 2.273 ( 3.745 2.162 -7.500) 8.658 2.616 ( 15.384 8.882 4.679) 18.369 2.964 ( -1.495 -0.863 11.215) 11.347 3.754 ( 2.071 1.196 1.241) 2.695 3.787 ( 0.607 0.350 -1.486) 1.643 4.198 ( 0.644 0.372 -0.781) 1.079 4.384 ( -11.988 -6.921 5.079) 14.745 4.600 ( -1.281 -0.740 -1.927) 2.429 5.338 ( -5.307 -3.064 -7.695) 9.838 ======================= Grid point 5 (6/288) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 11.657 6.730 -6.957) 15.152 1.679 ( 11.233 6.485 -9.958) 16.352 2.101 ( -0.475 -0.274 5.972) 5.997 2.351 ( 4.697 2.712 -3.419) 6.411 2.753 ( -2.798 -1.615 6.964) 7.677 3.062 ( 5.067 2.926 6.332) 8.622 3.779 ( 0.403 0.233 0.491) 0.676 3.827 ( 2.518 1.454 -0.791) 3.013 4.134 ( -5.913 -3.414 1.657) 7.026 4.210 ( -3.461 -1.998 -0.432) 4.019 4.606 ( 2.657 1.534 -1.632) 3.475 5.196 ( -5.513 -3.183 -4.988) 8.087 ======================= Grid point 6 (7/288) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 6.907 3.987 -6.283) 10.152 1.874 ( 7.874 4.546 -6.741) 11.319 2.104 ( -0.852 -0.492 5.793) 5.876 2.448 ( 3.513 2.028 -1.095) 4.202 2.672 ( -4.628 -2.672 7.908) 9.544 3.114 ( -0.966 -0.558 0.184) 1.130 3.789 ( 0.318 0.184 0.075) 0.375 3.874 ( 1.592 0.919 -0.277) 1.859 4.048 ( -1.960 -1.132 1.650) 2.801 4.144 ( -2.129 -1.229 -1.844) 3.073 4.712 ( 6.623 3.824 -0.234) 7.651 5.050 ( -6.479 -3.741 -2.589) 7.917 ======================= Grid point 7 (8/288) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -0.000 -0.000 0.000) 0.000 1.964 ( 0.000 0.000 -0.000) 0.000 2.101 ( 0.000 0.000 0.000) 0.000 2.476 ( -0.000 -0.000 0.000) 0.000 2.638 ( 0.000 0.000 0.000) 0.000 3.088 ( 0.000 0.000 0.000) 0.000 3.793 ( 0.000 0.000 0.000) 0.000 3.892 ( 0.000 0.000 0.000) 0.000 4.032 ( 0.000 0.000 0.000) 0.000 4.114 ( 0.000 0.000 0.000) 0.000 4.866 ( 0.000 0.000 0.000) 0.000 4.899 ( 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: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( 0.000 17.768 13.124) 22.089 0.456 ( 0.000 20.801 7.737) 22.193 0.701 ( -0.000 33.848 4.614) 34.161 2.033 ( -0.000 -0.613 -3.299) 3.356 2.096 ( -0.000 4.381 0.212) 4.387 3.173 ( 0.000 -4.283 -0.534) 4.316 3.630 ( -0.000 0.486 -0.764) 0.906 3.838 ( 0.000 -0.555 0.954) 1.103 3.887 ( -0.000 4.679 -1.010) 4.787 4.790 ( -0.000 -2.241 -6.280) 6.668 5.004 ( -0.000 -0.555 -12.357) 12.369 5.723 ( 0.000 -2.619 2.387) 3.544 ======================= Grid point 17 (10/288) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 1.800 16.216 9.422) 18.841 0.785 ( 6.084 22.954 -2.617) 23.890 1.261 ( 21.269 25.547 9.456) 34.561 2.036 ( 2.324 -0.777 -3.374) 4.170 2.147 ( 0.258 5.324 -1.133) 5.450 3.106 ( -1.647 -4.924 -1.551) 5.419 3.643 ( 1.048 0.556 -0.369) 1.243 3.824 ( -0.936 -0.309 0.442) 1.080 3.976 ( 4.082 5.003 0.171) 6.459 4.734 ( -1.048 -3.338 -5.610) 6.612 4.944 ( -2.003 -7.125 0.595) 7.425 5.646 ( -5.096 -2.238 -3.108) 6.375 ======================= Grid point 18 (11/288) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 10.581 12.361 2.797) 16.509 1.100 ( 6.870 21.049 -5.791) 22.886 1.882 ( 20.787 18.602 4.517) 28.258 2.081 ( 4.030 2.053 1.260) 4.695 2.195 ( 0.794 4.142 -3.218) 5.305 3.028 ( -1.312 -4.955 1.313) 5.291 3.673 ( 1.881 0.533 0.105) 1.958 3.808 ( -1.042 0.399 -0.005) 1.116 4.097 ( 4.303 3.535 0.748) 5.619 4.661 ( -1.792 -3.434 -4.036) 5.594 4.792 ( -7.708 -8.267 5.835) 12.720 5.505 ( -5.780 -3.625 -7.369) 10.043 ======================= Grid point 19 (12/288) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 13.102 9.451 -1.696) 16.244 1.393 ( 7.266 17.817 -7.435) 20.628 2.097 ( 2.560 1.538 -0.513) 3.031 2.226 ( 1.393 4.139 -6.030) 7.446 2.464 ( 17.095 13.857 7.110) 23.126 2.983 ( 0.155 -3.989 6.590) 7.705 3.717 ( 2.700 0.224 0.610) 2.777 3.799 ( -0.903 1.360 -0.409) 1.683 4.177 ( 2.031 0.845 -0.399) 2.236 4.547 ( -9.621 -5.481 3.334) 11.564 4.614 ( -3.581 -2.591 0.001) 4.420 5.346 ( -4.581 -5.523 -8.225) 10.915 ======================= Grid point 20 (13/288) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 12.486 6.612 -4.891) 14.951 1.651 ( 6.885 14.568 -7.570) 17.802 2.139 ( -0.360 2.409 3.527) 4.286 2.292 ( 4.070 3.450 -4.174) 6.774 2.762 ( 4.030 2.764 2.725) 5.595 3.032 ( 4.774 1.944 9.092) 10.452 3.765 ( 2.218 -0.541 1.745) 2.874 3.806 ( 0.387 2.303 -1.288) 2.667 4.175 ( -1.267 -1.837 -1.563) 2.725 4.332 ( -11.114 -1.060 3.487) 11.696 4.577 ( 0.730 -0.154 -2.018) 2.152 5.199 ( -3.005 -6.642 -6.044) 9.469 ======================= Grid point 21 (14/288) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 10.479 3.961 -5.916) 12.668 1.864 ( 5.228 11.651 -6.523) 14.340 2.155 ( -1.851 1.948 5.136) 5.797 2.400 ( 4.827 3.600 -1.535) 6.214 2.752 ( -4.108 -2.129 5.350) 7.074 3.131 ( 0.500 1.397 2.827) 3.193 3.788 ( 0.432 0.302 1.329) 1.430 3.850 ( 2.151 1.658 -0.713) 2.808 4.113 ( -3.121 -0.352 -0.584) 3.195 4.189 ( -6.431 0.767 0.162) 6.478 4.633 ( 5.340 1.912 -1.036) 5.766 5.070 ( -3.024 -6.934 -3.283) 8.246 ======================= Grid point 22 (15/288) ======================= q-point: ( 0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 6.409 0.843 -4.290) 7.758 2.009 ( 1.762 8.173 -3.936) 9.240 2.144 ( -2.817 0.981 4.397) 5.314 2.485 ( 1.321 2.282 -0.517) 2.687 2.668 ( -4.133 -0.665 1.822) 4.566 3.119 ( -2.182 0.955 1.948) 3.077 3.798 ( -0.120 0.484 0.405) 0.643 3.890 ( 0.855 0.885 -0.230) 1.252 4.078 ( -2.420 3.114 -0.534) 3.980 4.120 ( -1.993 -0.186 0.168) 2.009 4.774 ( 8.195 1.907 0.323) 8.421 4.932 ( -4.440 -6.545 -1.601) 8.069 ======================= Grid point 23 (16/288) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -1.089 -4.276 1.553) 4.678 2.038 ( -5.257 3.296 2.274) 6.609 2.115 ( -2.040 1.921 -1.618) 3.236 2.489 ( -2.217 0.201 0.247) 2.239 2.629 ( 0.075 2.413 -6.383) 6.824 3.126 ( -0.320 2.477 3.398) 4.217 3.794 ( -0.515 -0.178 -0.445) 0.704 3.891 ( -1.061 -0.126 0.151) 1.079 4.078 ( -2.060 4.802 -0.689) 5.270 4.125 ( 1.898 0.823 1.285) 2.435 4.770 ( -5.336 -5.850 -0.484) 7.933 4.946 ( 8.569 0.755 1.476) 8.728 ======================= Grid point 24 (17/288) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -7.502 -8.132 6.490) 12.827 1.921 ( -11.181 0.499 6.052) 12.723 2.108 ( -1.203 3.458 -5.045) 6.233 2.413 ( -4.512 -2.477 1.311) 5.311 2.686 ( 4.094 4.038 -8.984) 10.667 3.119 ( -4.532 -0.192 0.185) 4.540 3.776 ( -0.343 -1.248 -1.254) 1.802 3.857 ( -2.333 -0.612 0.803) 2.542 4.112 ( 1.275 4.620 -0.762) 4.852 4.193 ( 2.422 3.952 0.917) 4.725 4.641 ( -3.694 -3.414 0.716) 5.081 5.100 ( 8.565 -0.598 3.289) 9.194 ======================= Grid point 25 (18/288) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -11.952 -9.727 6.964) 16.911 1.720 ( -15.090 0.323 7.495) 16.852 2.101 ( -1.661 3.048 -4.660) 5.811 2.329 ( -3.143 -2.172 3.808) 5.394 2.736 ( -2.340 0.198 -3.275) 4.031 2.948 ( -8.338 -3.595 -8.935) 12.740 3.750 ( -0.353 -2.267 -1.544) 2.766 3.819 ( -2.126 0.476 1.417) 2.599 4.186 ( 2.356 0.435 0.895) 2.558 4.302 ( 4.907 8.652 -3.093) 10.417 4.594 ( 0.019 -0.748 1.575) 1.743 5.252 ( 8.574 -0.638 5.380) 10.142 ======================= Grid point 26 (19/288) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -15.010 -9.922 5.334) 18.767 1.461 ( -18.781 1.284 7.365) 20.214 2.083 ( -1.734 1.586 -3.052) 3.852 2.279 ( -2.490 -1.857 4.357) 5.351 2.414 ( -24.586 -7.297 -3.028) 25.824 2.917 ( 5.492 0.265 -7.770) 9.519 3.710 ( -1.207 -2.045 -1.037) 2.592 3.806 ( -0.925 1.072 1.063) 1.770 4.178 ( -2.414 -1.405 -0.199) 2.800 4.511 ( 10.388 7.542 -4.189) 13.504 4.623 ( 2.609 0.444 1.462) 3.023 5.411 ( 8.093 0.266 6.082) 10.127 ======================= Grid point 27 (20/288) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -16.365 -7.831 3.219) 18.426 1.154 ( -21.542 2.250 5.595) 22.370 1.833 ( -30.579 -7.696 -4.976) 31.923 2.068 ( -1.343 0.451 -2.281) 2.685 2.228 ( -4.079 -0.922 3.683) 5.573 3.011 ( 6.313 0.557 -2.285) 6.736 3.670 ( -1.295 -0.989 -0.538) 1.716 3.810 ( 0.087 0.671 0.569) 0.884 4.091 ( -5.513 -1.471 -0.775) 5.759 4.688 ( 3.784 0.594 0.810) 3.915 4.747 ( 11.479 3.677 -2.835) 12.382 5.559 ( 6.455 0.778 4.237) 7.760 ======================= Grid point 28 (21/288) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( -16.331 0.000 0.000) 16.331 0.800 ( -22.886 0.000 0.000) 22.886 1.215 ( -34.552 0.000 0.000) 34.552 2.052 ( -0.427 0.000 0.000) 0.427 2.151 ( -4.753 0.000 0.000) 4.753 3.113 ( 5.247 -0.000 -0.000) 5.247 3.645 ( -0.985 0.000 0.000) 0.985 3.822 ( 0.708 -0.000 -0.000) 0.708 3.976 ( -6.340 0.000 0.000) 6.340 4.759 ( 3.722 -0.000 -0.000) 3.722 4.943 ( 9.548 -0.000 -0.000) 9.548 5.661 ( 4.053 -0.000 -0.000) 4.053 ======================= Grid point 31 (22/288) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 0.000 18.120 11.748) 21.595 0.910 ( 0.000 20.782 6.671) 21.826 1.380 ( -0.000 32.396 3.913) 32.632 1.987 ( -0.000 -1.113 -5.896) 6.000 2.205 ( -0.000 6.225 -0.561) 6.250 3.052 ( -0.000 -6.687 -2.971) 7.318 3.640 ( -0.000 1.238 -1.257) 1.765 3.832 ( 0.000 -0.669 1.547) 1.685 3.993 ( -0.000 6.356 -1.314) 6.491 4.676 ( -0.000 -4.766 -8.426) 9.680 4.883 ( 0.000 -8.411 2.895) 8.896 5.667 ( -0.000 -3.390 -1.205) 3.598 ======================= Grid point 32 (23/288) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -4.006 18.997 11.596) 22.614 1.204 ( 4.608 20.137 -0.319) 20.660 1.821 ( 11.964 25.466 2.546) 28.251 2.000 ( 5.297 0.822 -3.206) 6.246 2.251 ( -1.145 5.698 -2.058) 6.166 2.974 ( 0.163 -7.260 -1.349) 7.386 3.657 ( 0.792 1.276 -0.736) 1.672 3.826 ( -0.514 0.080 0.950) 1.083 4.077 ( 2.734 4.966 -0.557) 5.696 4.607 ( 0.882 -6.060 -6.159) 8.686 4.792 ( -1.960 -9.156 4.341) 10.321 5.567 ( -6.245 -3.889 -3.212) 8.027 ======================= Grid point 33 (24/288) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 1.338 17.058 7.776) 18.795 1.454 ( 4.252 17.471 -4.782) 18.606 2.031 ( 5.505 3.263 -6.656) 9.234 2.263 ( -0.648 3.662 -0.775) 3.799 2.367 ( 14.253 18.894 3.764) 23.965 2.923 ( 2.024 -6.395 2.989) 7.343 3.686 ( 1.496 0.817 0.390) 1.748 3.827 ( -0.466 1.350 0.232) 1.447 4.153 ( 1.835 1.896 -0.634) 2.714 4.550 ( 0.718 -5.864 -2.358) 6.361 4.669 ( -4.373 -6.364 3.194) 8.356 5.379 ( -8.321 -5.259 -5.346) 11.202 ======================= Grid point 34 (25/288) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 4.328 12.989 2.683) 13.951 1.675 ( 5.144 14.557 -5.475) 16.381 2.145 ( 4.396 4.589 -2.362) 6.780 2.280 ( 0.114 3.323 -1.024) 3.479 2.706 ( 7.346 5.629 -0.717) 9.283 2.976 ( 6.523 1.637 7.400) 9.999 3.726 ( 2.172 0.202 1.702) 2.767 3.837 ( -0.622 2.438 -0.185) 2.523 4.163 ( -0.397 -1.519 -1.639) 2.270 4.482 ( -4.470 -3.049 2.419) 5.927 4.571 ( -1.887 -1.181 -1.263) 2.560 5.173 ( -5.847 -7.563 -5.515) 11.036 ======================= Grid point 35 (26/288) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 5.701 9.168 -0.679) 10.817 1.880 ( 4.886 12.256 -4.351) 13.893 2.220 ( -0.769 3.652 2.390) 4.431 2.352 ( 4.329 3.736 -0.598) 5.750 2.774 ( 1.185 -1.387 0.843) 2.010 3.132 ( 3.247 3.891 2.396) 5.606 3.774 ( 2.232 0.162 2.949) 3.702 3.853 ( -0.224 2.725 -0.662) 2.813 4.119 ( -1.076 -2.538 -2.049) 3.435 4.364 ( -8.901 2.433 1.298) 9.318 4.574 ( 2.608 0.875 -1.501) 3.134 5.013 ( -1.811 -9.086 -3.381) 9.863 ======================= Grid point 36 (27/288) ======================= q-point: ( 0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 4.977 6.115 -1.970) 8.127 2.044 ( 2.926 9.204 -3.236) 10.186 2.221 ( -3.007 1.469 4.275) 5.429 2.458 ( 3.893 2.142 -0.023) 4.443 2.757 ( -3.579 2.026 -0.050) 4.113 3.167 ( -1.115 1.558 0.722) 2.047 3.806 ( 0.137 0.245 1.910) 1.931 3.881 ( 1.065 1.564 -0.522) 1.962 4.085 ( 0.370 -1.354 -1.577) 2.111 4.255 ( -8.119 5.091 0.379) 9.591 4.659 ( 6.227 0.828 -0.290) 6.289 4.898 ( -1.060 -8.476 -1.559) 8.683 ======================= Grid point 37 (28/288) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 0.856 1.751 -1.415) 2.409 2.129 ( -0.863 5.100 -0.859) 5.244 2.182 ( -3.487 0.762 2.577) 4.402 2.502 ( 0.492 -1.463 -0.386) 1.591 2.706 ( -5.583 6.562 -4.533) 9.735 3.180 ( -0.517 3.096 4.171) 5.220 3.799 ( -0.814 -0.541 -0.432) 1.068 3.902 ( 0.160 0.344 0.141) 0.404 4.096 ( 1.893 -0.779 0.718) 2.170 4.202 ( -5.010 7.584 -0.375) 9.097 4.753 ( 1.998 -5.310 -0.067) 5.674 4.819 ( 3.552 -2.870 -0.129) 4.569 ======================= Grid point 38 (29/288) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -5.224 -3.334 1.995) 6.511 2.088 ( -6.593 0.602 1.450) 6.777 2.168 ( -1.787 4.177 -0.684) 4.594 2.450 ( -2.798 -3.418 -0.934) 4.515 2.690 ( -2.094 6.768 -6.613) 9.692 3.208 ( -2.892 3.054 4.550) 6.197 3.768 ( -1.091 -1.668 -1.967) 2.800 3.894 ( -1.489 0.220 0.723) 1.670 4.118 ( 1.257 -0.831 1.717) 2.284 4.243 ( -0.540 9.816 -0.794) 9.863 4.662 ( -2.994 -4.544 -0.057) 5.442 4.928 ( 9.373 -3.413 1.556) 10.096 ======================= Grid point 39 (30/288) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -9.894 -4.990 3.996) 11.779 1.950 ( -10.171 -0.081 2.413) 10.453 2.176 ( -2.712 5.099 -1.447) 5.954 2.359 ( -3.031 -3.569 0.143) 4.685 2.718 ( 1.497 3.336 -5.328) 6.462 3.112 ( -11.855 -0.582 0.366) 11.875 3.728 ( -0.456 -2.045 -1.752) 2.731 3.868 ( -2.214 0.809 0.928) 2.533 4.147 ( 2.432 -0.302 0.938) 2.624 4.339 ( 0.847 8.926 -1.378) 9.072 4.594 ( -1.124 -1.748 0.701) 2.193 5.073 ( 11.000 -3.473 2.827) 11.877 ======================= Grid point 40 (31/288) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -14.459 -3.856 2.761) 15.216 1.760 ( -13.351 0.263 2.716) 13.627 2.153 ( -4.290 3.216 -1.417) 5.546 2.297 ( -1.103 -2.381 1.278) 2.919 2.746 ( -10.186 1.087 3.974) 10.988 2.829 ( -7.059 -2.754 -8.589) 11.453 3.702 ( -0.367 -1.301 -0.743) 1.542 3.843 ( -1.879 0.804 0.581) 2.125 4.182 ( 1.026 -0.574 0.314) 1.217 4.442 ( 4.135 5.270 -1.847) 6.948 4.591 ( 1.422 -0.331 0.767) 1.649 5.251 ( 11.288 -1.331 2.627) 11.666 ======================= Grid point 41 (32/288) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -17.031 0.000 0.000) 17.031 1.506 ( -17.456 0.000 0.000) 17.456 2.102 ( -2.906 0.000 0.000) 2.906 2.238 ( -10.190 0.000 0.000) 10.190 2.351 ( -20.657 0.000 0.000) 20.657 2.893 ( 6.852 -0.000 -0.000) 6.852 3.683 ( -0.944 0.000 0.000) 0.944 3.823 ( -1.026 0.000 0.000) 1.026 4.160 ( -3.115 0.000 0.000) 3.115 4.581 ( 9.299 -0.000 -0.000) 9.299 4.631 ( 3.114 -0.000 -0.000) 3.114 5.430 ( 9.516 -0.000 -0.000) 9.516 ======================= Grid point 46 (33/288) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 0.000 17.841 9.385) 20.158 1.344 ( 0.000 19.459 4.837) 20.051 1.923 ( -0.000 -1.342 -6.931) 7.059 2.010 ( -0.000 28.743 3.253) 28.926 2.307 ( -0.000 5.122 -4.679) 6.937 2.890 ( 0.000 -8.264 -0.010) 8.264 3.665 ( -0.000 2.169 -1.298) 2.528 3.832 ( 0.000 -0.286 1.528) 1.554 4.102 ( -0.000 5.187 -1.417) 5.377 4.501 ( -0.000 -8.900 -4.690) 10.060 4.736 ( 0.000 -7.677 3.202) 8.318 5.574 ( -0.000 -4.998 -2.358) 5.526 ======================= Grid point 47 (34/288) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -4.394 18.402 10.512) 21.644 1.553 ( 1.659 15.068 -1.961) 15.285 1.944 ( 5.442 1.718 -6.114) 8.363 2.299 ( 0.803 5.172 0.326) 5.244 2.384 ( 6.657 19.953 -4.712) 21.555 2.832 ( 1.746 -6.329 4.829) 8.150 3.687 ( 0.267 2.108 -0.384) 2.159 3.838 ( 0.301 0.482 0.845) 1.019 4.153 ( 0.829 3.079 -1.361) 3.467 4.424 ( 3.175 -9.609 -1.743) 10.269 4.663 ( -1.639 -5.253 1.243) 5.642 5.454 ( -6.628 -5.714 -3.068) 9.273 ======================= Grid point 48 (35/288) ======================= q-point: ( 0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -3.264 13.643 5.620) 15.112 1.723 ( 3.736 13.273 -2.163) 13.957 2.085 ( 7.201 5.708 -3.555) 9.852 2.312 ( -0.206 2.370 -2.774) 3.654 2.624 ( 5.564 1.776 -3.548) 6.834 2.921 ( 6.672 7.744 7.696) 12.795 3.714 ( 0.729 1.436 1.502) 2.202 3.857 ( 0.592 1.494 0.121) 1.612 4.160 ( -1.065 -0.471 -1.730) 2.085 4.416 ( 5.121 -6.593 0.176) 8.350 4.594 ( -2.114 -1.982 -0.416) 2.928 5.236 ( -9.980 -6.529 -3.566) 12.448 ======================= Grid point 49 (36/288) ======================= q-point: ( 0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 0.702 10.205 2.531) 10.537 1.914 ( 3.785 12.020 -0.475) 12.611 2.241 ( 4.358 5.690 -1.523) 7.328 2.338 ( 0.945 2.441 1.200) 2.879 2.679 ( 6.087 -3.965 -2.632) 7.726 3.131 ( 3.923 8.286 1.500) 9.289 3.752 ( 1.640 0.842 3.184) 3.679 3.883 ( 0.110 2.101 -0.091) 2.106 4.112 ( -1.903 -2.071 -1.988) 3.444 4.444 ( 2.201 -2.077 0.530) 3.073 4.561 ( -0.670 1.048 -1.272) 1.779 4.993 ( -8.099 -7.857 -2.795) 11.625 ======================= Grid point 50 (37/288) ======================= q-point: ( 0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 2.088 8.951 2.129) 9.434 2.071 ( 3.030 8.374 -1.063) 8.969 2.295 ( -2.295 2.020 2.663) 4.055 2.409 ( 3.784 1.129 1.318) 4.163 2.769 ( 5.763 2.617 -2.539) 6.820 3.201 ( -1.228 3.083 -2.543) 4.181 3.799 ( 1.727 0.229 3.143) 3.594 3.896 ( -0.820 1.673 -0.116) 1.866 4.060 ( -0.634 -1.874 -1.746) 2.639 4.430 ( -4.826 3.447 -0.013) 5.931 4.587 ( 2.744 0.915 -0.876) 3.022 4.819 ( -1.732 -8.561 -1.008) 8.792 ======================= Grid point 51 (38/288) ======================= q-point: ( 0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -0.225 6.204 0.964) 6.283 2.172 ( 1.252 4.997 -0.926) 5.234 2.255 ( -3.686 -0.245 3.025) 4.775 2.458 ( 1.951 -2.079 0.086) 2.852 2.862 ( -2.549 9.523 -3.821) 10.573 3.201 ( 1.341 1.157 0.410) 1.819 3.814 ( -1.098 -0.096 0.725) 1.319 3.894 ( 0.363 -0.444 0.244) 0.623 4.052 ( 1.687 -1.370 -0.126) 2.177 4.375 ( -6.287 6.785 -0.395) 9.259 4.644 ( 4.207 -2.680 -0.092) 4.989 4.747 ( 1.105 -5.534 -0.239) 5.649 ======================= Grid point 52 (39/288) ======================= q-point: (-0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -4.913 1.197 0.446) 5.077 2.182 ( -3.679 0.865 0.180) 3.784 2.227 ( -0.896 2.609 1.010) 2.938 2.438 ( -0.539 -3.549 -1.196) 3.784 2.838 ( -7.576 7.888 -4.571) 11.854 3.273 ( 1.769 3.147 4.206) 5.543 3.774 ( -2.246 -1.125 -1.532) 2.942 3.903 ( 0.804 -0.477 0.667) 1.149 4.076 ( 2.260 -1.700 1.233) 3.085 4.371 ( -3.069 9.080 -0.658) 9.607 4.645 ( 0.188 -4.271 -0.082) 4.276 4.756 ( 5.583 -4.289 0.369) 7.050 ======================= Grid point 53 (40/288) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -7.888 -1.292 0.915) 8.046 2.097 ( -6.867 0.071 0.131) 6.869 2.250 ( -0.417 3.553 0.664) 3.638 2.370 ( -2.899 -3.371 -1.213) 4.609 2.768 ( -4.987 3.183 -2.694) 6.501 3.283 ( -5.889 1.758 2.442) 6.614 3.721 ( -1.496 -1.296 -1.437) 2.446 3.905 ( -0.891 0.362 0.458) 1.066 4.102 ( 2.339 -1.032 0.775) 2.672 4.421 ( -1.211 6.872 -0.611) 7.004 4.601 ( -1.328 -1.615 0.111) 2.094 4.850 ( 10.466 -4.004 0.876) 11.240 ======================= Grid point 54 (41/288) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -10.874 0.000 0.000) 10.874 1.955 ( -9.644 0.000 0.000) 9.644 2.265 ( -5.709 0.000 0.000) 5.709 2.283 ( 0.507 -0.000 -0.000) 0.507 2.738 ( 0.515 -0.000 -0.000) 0.515 3.106 ( -15.693 0.000 0.000) 15.693 3.699 ( -0.331 0.000 0.000) 0.331 3.882 ( -1.976 0.000 0.000) 1.976 4.143 ( 2.723 -0.000 -0.000) 2.723 4.440 ( -0.196 0.000 0.000) 0.196 4.579 ( -0.223 0.000 0.000) 0.223 5.036 ( 12.713 -0.000 -0.000) 12.713 ======================= Grid point 61 (42/288) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -0.000 14.841 3.233) 15.189 1.711 ( -0.000 15.035 0.840) 15.059 1.867 ( -0.000 0.034 -3.036) 3.036 2.311 ( -0.000 0.703 -7.375) 7.408 2.500 ( -0.000 13.813 -2.780) 14.090 2.808 ( 0.000 2.688 10.090) 10.442 3.708 ( -0.000 2.813 -0.867) 2.943 3.839 ( 0.000 0.251 0.895) 0.929 4.172 ( -0.000 2.745 -1.801) 3.283 4.287 ( 0.000 -10.779 0.171) 10.781 4.637 ( 0.000 -3.109 -0.209) 3.116 5.442 ( -0.000 -6.809 -2.771) 7.352 ======================= Grid point 62 (43/288) ======================= q-point: ( 0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -3.557 4.542 -6.038) 8.352 1.835 ( 0.702 15.736 6.665) 17.104 1.992 ( 7.964 4.630 -3.220) 9.759 2.301 ( 1.172 1.071 -6.697) 6.883 2.557 ( 0.897 -2.732 1.685) 3.333 2.970 ( 3.524 14.933 7.419) 17.043 3.733 ( -0.124 2.439 0.499) 2.493 3.853 ( 0.895 0.663 0.185) 1.129 4.170 ( -0.957 -1.408 -1.586) 2.327 4.244 ( 5.326 -6.522 0.523) 8.436 4.606 ( -1.122 -0.587 -1.000) 1.613 5.306 ( -6.358 -7.381 -2.859) 10.152 ======================= Grid point 63 (44/288) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 1.174 4.804 -2.225) 5.423 2.011 ( 0.068 12.494 5.617) 13.698 2.166 ( 9.864 3.684 -5.043) 11.675 2.340 ( 2.102 2.805 -1.646) 3.872 2.535 ( 2.349 -5.650 0.981) 6.197 3.180 ( 2.460 11.507 2.156) 11.963 3.757 ( 0.208 1.457 2.782) 3.148 3.881 ( 1.433 0.915 -0.431) 1.754 4.128 ( -1.761 -1.036 -1.645) 2.623 4.305 ( 7.554 -4.773 -0.043) 8.935 4.588 ( -1.170 1.848 -0.934) 2.378 5.082 ( -9.896 -7.186 -2.402) 12.464 ======================= Grid point 64 (45/288) ======================= q-point: ( 0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 4.030 6.605 1.606) 7.902 2.115 ( 0.692 6.574 1.162) 6.712 2.339 ( 3.641 5.075 -0.012) 6.246 2.371 ( -0.099 -1.633 3.603) 3.957 2.606 ( 11.456 0.132 -3.959) 12.122 3.265 ( -2.092 5.408 -2.680) 6.388 3.786 ( 0.965 0.328 3.360) 3.511 3.911 ( 0.922 0.813 -0.208) 1.247 4.079 ( -2.964 0.158 -1.586) 3.365 4.396 ( 7.299 -2.902 -0.328) 7.862 4.595 ( -0.809 2.746 -0.488) 2.904 4.843 ( -8.912 -5.925 -1.117) 10.760 ======================= Grid point 65 (46/288) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 1.619 6.619 2.637) 7.307 2.187 ( 1.557 4.024 -0.245) 4.322 2.314 ( -3.156 -2.031 2.239) 4.370 2.412 ( 1.377 -0.516 0.800) 1.674 2.856 ( 12.701 6.563 -2.162) 14.459 3.221 ( -4.520 0.994 -3.778) 5.975 3.813 ( 1.302 -0.308 1.750) 2.203 3.912 ( -1.984 -0.091 0.475) 2.042 4.032 ( -1.246 -0.256 -0.806) 1.506 4.478 ( 2.951 0.857 -0.333) 3.091 4.586 ( -1.708 -0.261 -0.731) 1.876 4.698 ( -2.003 -3.036 0.422) 3.661 ======================= Grid point 66 (47/288) ======================= q-point: (-0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( -4.339 2.998 1.194) 5.407 2.232 ( -0.649 1.497 -0.002) 1.631 2.259 ( -1.216 -0.180 0.646) 1.389 2.407 ( 0.052 -2.088 -0.281) 2.107 3.031 ( -5.751 7.731 -2.738) 10.017 3.201 ( 8.177 -1.671 0.940) 8.399 3.821 ( -3.150 1.030 -0.630) 3.374 3.866 ( 1.061 -2.355 1.088) 2.803 4.033 ( 1.358 -0.538 0.214) 1.476 4.498 ( -2.913 5.320 -0.557) 6.091 4.577 ( 2.616 -2.971 0.030) 3.958 4.672 ( 0.820 -2.638 0.257) 2.775 ======================= Grid point 67 (48/288) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -7.498 0.000 0.000) 7.498 2.190 ( -4.079 0.000 0.000) 4.079 2.265 ( 0.343 -0.000 -0.000) 0.343 2.387 ( -1.063 0.000 0.000) 1.063 2.909 ( -9.137 0.000 0.000) 9.137 3.324 ( 3.198 -0.000 -0.000) 3.198 3.754 ( -3.421 0.000 0.000) 3.421 3.898 ( 1.973 -0.000 -0.000) 1.973 4.059 ( 2.026 -0.000 -0.000) 2.026 4.490 ( -2.196 0.000 0.000) 2.196 4.598 ( 1.185 -0.000 -0.000) 1.185 4.690 ( 4.648 -0.000 -0.000) 4.648 ======================= Grid point 76 (49/288) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -0.000 0.704 -7.977) 8.008 1.869 ( -0.000 1.791 -9.422) 9.591 2.027 ( 0.000 10.833 7.218) 13.017 2.296 ( -0.000 3.821 -2.462) 4.545 2.530 ( 0.000 -4.280 4.757) 6.399 3.120 ( 0.000 15.848 6.275) 17.045 3.761 ( -0.000 2.709 -0.113) 2.711 3.850 ( -0.000 0.495 -0.057) 0.498 4.098 ( 0.000 -8.031 1.452) 8.161 4.198 ( -0.000 0.817 -1.693) 1.879 4.617 ( -0.000 1.691 -1.225) 2.088 5.274 ( -0.000 -8.547 -2.799) 8.993 ======================= Grid point 77 (50/288) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 0.141 0.943 -5.031) 5.120 1.944 ( 10.806 -3.340 -10.380) 15.351 2.150 ( 0.574 10.501 5.988) 12.102 2.347 ( 0.649 4.208 0.927) 4.357 2.496 ( -0.708 -3.531 3.410) 4.959 3.281 ( 0.318 11.465 3.585) 12.017 3.783 ( -0.331 1.945 1.542) 2.504 3.862 ( 1.021 0.347 -0.761) 1.320 4.078 ( 4.439 -4.658 0.498) 6.454 4.199 ( 0.420 -0.351 -1.303) 1.413 4.633 ( -1.010 4.066 -0.827) 4.270 5.131 ( -5.367 -8.750 -2.485) 10.562 ======================= Grid point 78 (51/288) ======================= q-point: ( 0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 5.870 3.147 -0.251) 6.665 2.066 ( 9.644 -3.008 -6.264) 11.887 2.310 ( 4.639 7.987 5.150) 10.575 2.379 ( 0.170 0.172 1.118) 1.144 2.479 ( 1.449 -0.142 -0.180) 1.467 3.354 ( -2.379 5.563 -0.350) 6.061 3.797 ( -0.433 0.657 2.834) 2.942 3.887 ( 1.880 0.268 -0.979) 2.137 4.121 ( 0.381 1.264 -1.121) 1.732 4.222 ( 6.375 -3.695 -0.151) 7.370 4.654 ( -1.878 5.046 -0.033) 5.384 4.926 ( -7.753 -7.328 -1.653) 10.795 ======================= Grid point 79 (52/288) ======================= q-point: ( 0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 6.752 3.259 1.393) 7.626 2.170 ( 5.299 0.471 -1.734) 5.595 2.331 ( -2.292 -2.472 2.156) 4.002 2.429 ( -1.087 2.498 1.265) 3.004 2.629 ( 15.165 2.221 -1.518) 15.402 3.317 ( -5.208 1.600 -1.929) 5.780 3.801 ( 0.108 -0.153 1.432) 1.444 3.918 ( 1.253 0.166 -0.084) 1.266 4.090 ( -4.181 1.021 -0.667) 4.355 4.339 ( 9.408 -2.039 -0.106) 9.627 4.651 ( -3.746 2.619 0.183) 4.574 4.748 ( -5.443 -3.197 -0.522) 6.334 ======================= Grid point 80 (53/288) ======================= q-point: (-0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 1.928 -0.000 -0.000) 1.928 2.239 ( 2.173 -0.000 -0.000) 2.173 2.271 ( -2.516 0.000 0.000) 2.516 2.412 ( -1.581 0.000 0.000) 1.581 2.931 ( 17.301 -0.000 -0.000) 17.301 3.212 ( -7.365 0.000 0.000) 7.365 3.814 ( 1.477 -0.000 -0.000) 1.477 3.910 ( -3.147 0.000 0.000) 3.147 4.030 ( -1.879 0.000 0.000) 1.879 4.472 ( 6.839 -0.000 -0.000) 6.839 4.586 ( -3.883 0.000 0.000) 3.883 4.677 ( -2.368 0.000 0.000) 2.368 ======================= Grid point 92 (54/288) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( -0.000 -0.145 -4.358) 4.360 1.751 ( -0.000 -4.489 -8.864) 9.936 2.238 ( 0.000 6.520 3.698) 7.496 2.385 ( 0.000 2.056 2.702) 3.395 2.488 ( 0.000 -0.706 1.542) 1.696 3.393 ( 0.000 8.304 3.507) 9.014 3.809 ( 0.000 1.833 0.629) 1.938 3.855 ( -0.000 0.189 -0.818) 0.839 3.989 ( 0.000 -3.841 0.995) 3.968 4.199 ( -0.000 0.266 -1.168) 1.198 4.694 ( -0.000 6.624 -0.324) 6.632 5.076 ( -0.000 -9.834 -2.339) 10.109 ======================= Grid point 93 (55/288) ======================= q-point: ( 0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 3.819 0.773 -0.930) 4.006 1.815 ( 10.365 -3.144 -5.223) 12.025 2.320 ( 2.898 3.840 2.161) 5.274 2.390 ( -0.829 -0.596 1.835) 2.100 2.490 ( -0.746 1.117 0.136) 1.350 3.443 ( -2.140 3.613 1.172) 4.360 3.824 ( -0.713 0.987 1.913) 2.267 3.855 ( 1.151 -0.248 -1.506) 1.911 4.023 ( 6.321 -1.338 0.132) 6.463 4.190 ( -0.955 -0.035 -0.570) 1.112 4.753 ( -1.805 7.888 0.469) 8.105 4.938 ( -3.827 -9.265 -1.719) 10.171 ======================= Grid point 94 (56/288) ======================= q-point: (-0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 7.537 -0.000 -0.000) 7.537 1.996 ( 12.699 -0.000 -0.000) 12.699 2.365 ( -1.965 0.000 0.000) 1.965 2.435 ( 8.131 -0.000 -0.000) 8.131 2.475 ( -1.616 0.000 0.000) 1.616 3.405 ( -4.197 0.000 0.000) 4.197 3.812 ( -1.011 0.000 0.000) 1.011 3.886 ( 2.243 -0.000 -0.000) 2.243 4.157 ( -2.725 0.000 0.000) 2.725 4.159 ( 9.677 -0.000 -0.000) 9.677 4.770 ( -5.978 0.000 0.000) 5.978 4.785 ( -3.013 0.000 0.000) 3.013 ======================= Grid point 109 (57/288) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 0.000 0.000 0.000) 0.000 1.700 ( 0.000 0.000 0.000) 0.000 2.315 ( 0.000 0.000 0.000) 0.000 2.397 ( 0.000 0.000 0.000) 0.000 2.504 ( 0.000 0.000 0.000) 0.000 3.485 ( 0.000 0.000 0.000) 0.000 3.834 ( 0.000 0.000 0.000) 0.000 3.850 ( 0.000 0.000 0.000) 0.000 3.955 ( 0.000 0.000 0.000) 0.000 4.198 ( 0.000 0.000 0.000) 0.000 4.841 ( 0.000 0.000 0.000) 0.000 4.890 ( 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: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.192 ( 0.000 -0.000 21.033) 21.033 0.192 ( 0.000 -0.000 21.033) 21.033 0.319 ( 0.000 -0.000 35.017) 35.017 2.039 ( -0.000 0.000 -2.285) 2.285 2.039 ( -0.000 0.000 -2.285) 2.285 3.626 ( -0.000 0.000 -0.402) 0.402 3.626 ( -0.000 0.000 -0.402) 0.402 3.721 ( -0.000 0.000 -8.063) 8.063 3.844 ( 0.000 -0.000 0.710) 0.710 3.844 ( 0.000 -0.000 0.710) 0.710 4.854 ( 0.000 -0.000 4.442) 4.442 5.839 ( -0.000 0.000 -0.464) 0.464 ======================= Grid point 219 (59/288) ======================= q-point: ( 0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.348 ( 11.882 6.860 6.555) 15.205 0.407 ( 11.681 6.744 10.809) 17.285 0.893 ( 27.850 16.079 18.386) 37.043 2.048 ( 2.301 1.329 -4.714) 5.411 2.053 ( 0.938 0.542 -1.179) 1.601 3.174 ( -4.329 -2.499 -1.055) 5.109 3.635 ( 0.757 0.437 -0.199) 0.897 3.833 ( -0.854 -0.493 0.551) 1.130 3.901 ( 4.728 2.730 0.685) 5.503 4.724 ( 4.977 2.873 -19.109) 19.955 4.965 ( 6.169 3.562 -5.970) 9.294 5.689 ( -7.070 -4.082 -0.011) 8.164 ======================= Grid point 220 (60/288) ======================= q-point: ( 0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 14.865 8.582 0.310) 17.168 0.730 ( 14.406 8.317 1.075) 16.669 1.564 ( 26.552 15.330 10.582) 32.435 2.074 ( 1.035 0.597 0.047) 1.196 2.106 ( 4.095 2.364 -5.273) 7.083 3.093 ( -2.674 -1.544 -1.343) 3.367 3.660 ( 1.456 0.840 -0.264) 1.702 3.812 ( -1.083 -0.626 0.505) 1.349 4.031 ( 5.807 3.353 1.443) 6.859 4.695 ( -2.008 -1.159 -6.000) 6.432 4.942 ( -6.818 -3.936 4.663) 9.150 5.535 ( -5.456 -3.150 -8.742) 10.775 ======================= Grid point 221 (61/288) ======================= q-point: ( 0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 15.304 8.836 -2.355) 17.827 1.052 ( 14.186 8.190 -4.457) 16.976 2.067 ( 12.327 7.117 -8.986) 16.833 2.099 ( 0.986 0.569 1.443) 1.838 2.272 ( 14.682 8.477 9.373) 19.372 3.049 ( -1.375 -0.794 3.029) 3.420 3.701 ( 2.266 1.308 -0.497) 2.663 3.791 ( -0.785 -0.453 0.517) 1.043 4.147 ( 3.621 2.091 0.556) 4.218 4.622 ( -3.274 -1.890 -2.956) 4.798 4.731 ( -12.186 -7.035 7.524) 15.956 5.390 ( -4.544 -2.623 -11.035) 12.219 ======================= Grid point 222 (62/288) ======================= q-point: ( 0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 14.029 8.099 -4.191) 16.732 1.342 ( 12.942 7.472 -7.865) 16.887 2.126 ( 0.757 0.437 3.035) 3.158 2.202 ( 5.757 3.324 -7.797) 10.246 2.665 ( 12.726 7.347 5.820) 15.805 3.054 ( 0.633 0.365 8.513) 8.545 3.758 ( 2.842 1.641 -0.775) 3.372 3.781 ( -0.228 -0.132 0.589) 0.645 4.188 ( 0.063 0.036 -1.396) 1.398 4.432 ( -12.583 -7.265 5.475) 15.527 4.581 ( -1.603 -0.926 -2.125) 2.818 5.264 ( -4.012 -2.317 -8.287) 9.494 ======================= Grid point 223 (63/288) ======================= q-point: ( 0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 11.479 6.628 -8.764) 15.891 1.612 ( 11.163 6.445 -5.645) 14.072 2.149 ( 0.181 0.104 4.653) 4.658 2.320 ( 6.065 3.502 -3.208) 7.703 2.802 ( -1.046 -0.604 3.840) 4.026 3.127 ( 1.997 1.153 7.615) 7.956 3.783 ( 0.229 0.132 0.255) 0.368 3.820 ( 2.691 1.554 -0.521) 3.151 4.141 ( -3.941 -2.275 -0.318) 4.562 4.213 ( -6.335 -3.658 1.249) 7.421 4.589 ( 3.125 1.804 -1.920) 4.088 5.152 ( -4.360 -2.517 -4.607) 6.824 ======================= Grid point 224 (64/288) ======================= q-point: ( 0.50 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 7.390 4.267 -6.233) 10.567 1.809 ( 9.390 5.422 -7.507) 13.188 2.156 ( -1.134 -0.655 5.595) 5.746 2.438 ( 4.079 2.355 -1.011) 4.818 2.721 ( -5.518 -3.186 2.864) 6.985 3.137 ( -2.137 -1.234 4.801) 5.399 3.790 ( 0.260 0.150 0.255) 0.394 3.871 ( 1.710 0.988 -0.447) 2.025 4.059 ( -2.423 -1.399 0.584) 2.858 4.132 ( -1.789 -1.033 -0.699) 2.181 4.709 ( 7.254 4.188 -0.464) 8.389 5.028 ( -5.820 -3.360 -2.342) 7.116 ======================= Grid point 225 (65/288) ======================= q-point: (-0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 3.379 1.951 -4.483) 5.943 1.950 ( 3.526 2.036 -3.142) 5.143 2.123 ( -3.162 -1.826 4.275) 5.622 2.474 ( -0.106 -0.061 -0.435) 0.452 2.620 ( -2.998 -1.731 -3.609) 5.001 3.116 ( -0.378 -0.218 5.895) 5.912 3.794 ( -0.047 -0.027 0.233) 0.240 3.891 ( 0.134 0.078 -0.249) 0.294 4.028 ( -0.511 -0.295 -0.973) 1.138 4.120 ( 0.690 0.399 1.218) 1.456 4.864 ( -3.708 -2.141 -0.451) 4.306 4.899 ( 4.717 2.723 0.111) 5.447 ======================= Grid point 226 (66/288) ======================= q-point: (-0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( -4.303 -2.484 3.993) 6.374 1.928 ( -5.220 -3.013 5.001) 7.832 2.057 ( -1.524 -0.880 -3.742) 4.135 2.457 ( -2.760 -1.594 0.955) 3.327 2.585 ( 3.503 2.022 -10.810) 11.542 3.131 ( -1.124 -0.649 3.652) 3.876 3.789 ( -0.430 -0.248 0.093) 0.505 3.875 ( -1.411 -0.815 0.079) 1.631 4.031 ( 1.596 0.921 -2.049) 2.756 4.163 ( 2.248 1.298 2.227) 3.420 4.713 ( -6.031 -3.482 -0.063) 6.964 5.073 ( 7.273 4.199 2.346) 8.719 ======================= Grid point 227 (67/288) ======================= q-point: (-0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -11.812 -6.820 7.832) 15.729 1.770 ( -10.387 -5.997 9.915) 15.561 2.042 ( 0.886 0.512 -7.044) 7.118 2.380 ( -3.380 -1.951 2.912) 4.870 2.676 ( 5.533 3.194 -10.046) 11.906 3.019 ( -9.394 -5.423 -3.131) 11.290 3.775 ( -0.806 -0.465 -0.538) 1.075 3.834 ( -2.098 -1.212 0.813) 2.556 4.116 ( 6.716 3.878 -2.109) 8.037 4.216 ( 1.713 0.989 0.777) 2.126 4.618 ( -2.204 -1.272 1.153) 2.794 5.239 ( 6.564 3.790 4.348) 8.738 ======================= Grid point 228 (68/288) ======================= q-point: (-0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -15.124 -8.732 7.742) 19.103 1.520 ( -14.226 -8.214 10.652) 19.579 2.041 ( 0.728 0.420 -6.169) 6.226 2.330 ( -2.484 -1.434 4.656) 5.469 2.589 ( -17.758 -10.253 -0.642) 20.516 2.854 ( 3.793 2.190 -12.903) 13.626 3.741 ( -1.905 -1.100 -1.446) 2.632 3.802 ( -0.814 -0.470 1.702) 1.944 4.202 ( -1.323 -0.764 -0.015) 1.527 4.342 ( 11.433 6.601 -4.108) 13.826 4.616 ( 1.286 0.743 1.612) 2.192 5.399 ( 6.133 3.541 5.780) 9.141 ======================= Grid point 229 (69/288) ======================= q-point: (-0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -16.517 -9.536 8.067) 20.708 1.198 ( -16.675 -9.627 9.945) 21.671 2.038 ( 0.505 0.291 -5.181) 5.214 2.048 ( -26.068 -15.051 -6.471) 30.789 2.284 ( -4.072 -2.351 6.085) 7.690 2.956 ( 6.214 3.588 -6.082) 9.406 3.691 ( -1.947 -1.124 -1.312) 2.603 3.803 ( 0.305 0.176 1.480) 1.521 4.129 ( -4.466 -2.578 -1.345) 5.329 4.603 ( 11.369 6.564 -6.347) 14.582 4.678 ( 4.092 2.362 3.058) 5.628 5.547 ( 5.154 2.976 5.431) 8.057 ======================= Grid point 230 (70/288) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -16.489 -9.520 9.447) 21.255 0.833 ( -17.725 -10.234 9.459) 22.547 1.390 ( -29.660 -17.124 -5.444) 34.678 2.034 ( 0.435 0.251 -4.247) 4.277 2.194 ( -4.886 -2.821 2.879) 6.334 3.077 ( 5.314 3.068 -2.438) 6.603 3.651 ( -1.207 -0.697 -1.090) 1.769 3.820 ( 0.711 0.411 1.215) 1.466 4.006 ( -5.617 -3.243 -1.430) 6.642 4.732 ( 3.849 2.222 -3.228) 5.493 4.873 ( 9.435 5.447 -1.094) 10.950 5.658 ( 3.358 1.939 3.278) 5.078 ======================= Grid point 233 (71/288) ======================= q-point: ( 0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 0.000 21.297 5.253) 21.935 0.563 ( 0.000 15.545 15.972) 22.287 0.832 ( 0.000 24.539 21.366) 32.537 1.994 ( -0.000 -1.308 -5.224) 5.386 2.086 ( -0.000 5.003 -2.279) 5.497 3.165 ( -0.000 -6.876 -1.661) 7.074 3.622 ( -0.000 0.293 -0.926) 0.971 3.848 ( 0.000 -0.386 1.357) 1.411 3.877 ( -0.000 4.516 -1.014) 4.628 4.638 ( -0.000 11.019 -25.129) 27.438 4.946 ( -0.000 3.894 0.622) 3.943 5.733 ( 0.000 -5.000 -0.096) 5.001 ======================= Grid point 234 (72/288) ======================= q-point: ( 0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -2.739 15.954 14.786) 21.924 0.770 ( 3.875 22.187 0.180) 22.523 1.367 ( 20.508 21.499 12.860) 32.375 1.997 ( 3.696 -1.103 -5.011) 6.324 2.129 ( -0.407 5.752 -2.761) 6.394 3.084 ( -0.939 -4.732 -3.361) 5.880 3.639 ( 1.437 0.410 -0.587) 1.606 3.829 ( -1.305 -0.196 0.689) 1.489 3.980 ( 4.933 4.589 0.617) 6.766 4.657 ( 1.698 -1.047 -11.079) 11.257 4.959 ( -0.383 -4.486 2.860) 5.334 5.610 ( -7.601 -2.599 -4.576) 9.245 ======================= Grid point 235 (73/288) ======================= q-point: ( 0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 5.637 13.617 8.348) 16.938 1.056 ( 5.609 20.116 -3.576) 21.188 1.888 ( 14.325 11.234 -3.723) 18.581 2.105 ( 7.884 6.485 3.358) 10.747 2.178 ( 3.446 5.081 0.624) 6.171 3.032 ( 0.696 -3.847 -0.515) 3.943 3.672 ( 1.998 0.739 -0.310) 2.152 3.810 ( -1.156 0.238 0.479) 1.274 4.104 ( 4.288 2.965 0.787) 5.272 4.621 ( -0.455 -2.872 -4.842) 5.648 4.847 ( -6.502 -8.668 6.424) 12.597 5.429 ( -7.631 -2.309 -9.234) 12.199 ======================= Grid point 236 (74/288) ======================= q-point: ( 0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 9.201 10.598 2.314) 14.225 1.331 ( 6.600 17.521 -5.923) 19.637 2.068 ( 6.585 2.323 -5.640) 8.976 2.185 ( -0.024 5.367 -3.110) 6.203 2.533 ( 15.092 10.489 7.676) 19.917 3.033 ( 2.739 -2.703 4.479) 5.905 3.720 ( 2.720 0.922 -0.080) 2.873 3.799 ( -1.029 1.001 0.407) 1.492 4.171 ( 1.481 0.279 -0.901) 1.756 4.560 ( -3.315 -3.080 -0.465) 4.548 4.634 ( -9.801 -5.960 4.188) 12.211 5.266 ( -4.353 -4.000 -9.119) 10.867 ======================= Grid point 237 (75/288) ======================= q-point: ( 0.43 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 9.856 7.748 -2.297) 12.745 1.587 ( 6.587 15.034 -6.264) 17.568 2.163 ( 1.944 2.389 1.572) 3.458 2.257 ( 4.241 5.062 -3.425) 7.439 2.784 ( 4.638 1.782 2.086) 5.388 3.108 ( 4.373 0.433 7.498) 8.690 3.779 ( 2.974 0.392 0.939) 3.143 3.798 ( -0.627 2.064 -0.286) 2.176 4.158 ( -1.170 -1.884 -1.984) 2.976 4.364 ( -12.188 -2.252 3.430) 12.860 4.557 ( 0.867 0.055 -2.311) 2.469 5.146 ( -1.954 -5.515 -5.443) 7.991 ======================= Grid point 238 (76/288) ======================= q-point: ( 0.50 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 9.199 5.247 -4.430) 11.479 1.806 ( 5.038 12.698 -6.193) 14.999 2.198 ( -1.021 1.884 4.373) 4.869 2.386 ( 5.280 4.289 -1.449) 6.955 2.781 ( -3.480 -2.748 1.345) 4.634 3.168 ( -0.131 -0.551 5.101) 5.133 3.799 ( -0.387 0.953 1.080) 1.492 3.845 ( 2.459 1.593 -0.419) 2.960 4.103 ( -2.101 -1.248 -1.377) 2.805 4.194 ( -7.492 1.034 0.799) 7.605 4.623 ( 5.880 2.345 -1.146) 6.433 5.042 ( -2.398 -6.275 -2.604) 7.205 ======================= Grid point 239 (77/288) ======================= q-point: ( 0.57 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 6.648 2.293 -4.923) 8.585 1.968 ( 2.676 10.015 -5.118) 11.561 2.188 ( -3.290 0.247 5.157) 6.122 2.480 ( 1.556 2.416 -0.657) 2.948 2.663 ( -5.795 -2.396 -2.552) 6.770 3.159 ( -1.535 0.381 6.471) 6.661 3.801 ( -0.506 0.410 0.362) 0.745 3.887 ( 0.928 1.002 -0.313) 1.401 4.071 ( -2.027 2.528 -0.965) 3.381 4.126 ( -1.936 0.465 0.903) 2.186 4.776 ( 8.698 2.187 0.161) 8.970 4.918 ( -4.165 -6.196 -1.465) 7.608 ======================= Grid point 240 (78/288) ======================= q-point: (-0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 2.036 -2.137 -2.283) 3.732 2.047 ( -2.056 5.664 -0.392) 6.039 2.120 ( -5.446 -0.642 2.805) 6.160 2.489 ( -1.688 0.799 -0.186) 1.877 2.561 ( -2.278 0.905 -8.106) 8.469 3.174 ( -1.268 1.842 6.702) 7.065 3.790 ( -0.571 -0.819 -0.360) 1.061 3.892 ( -0.934 0.158 -0.002) 0.947 4.068 ( -2.402 5.296 -1.344) 5.968 4.141 ( 2.247 0.575 1.998) 3.062 4.765 ( -5.053 -5.596 -0.599) 7.564 4.958 ( 9.321 0.998 1.105) 9.439 ======================= Grid point 241 (79/288) ======================= q-point: (-0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -4.988 -8.104 5.335) 10.910 1.969 ( -9.316 -0.914 4.151) 10.240 2.070 ( -3.060 4.805 -2.654) 6.285 2.422 ( -3.437 -2.722 0.565) 4.421 2.595 ( 3.950 5.636 -10.606) 12.644 3.133 ( -7.547 -1.142 2.586) 8.060 3.766 ( -0.223 -2.007 -0.857) 2.194 3.864 ( -2.121 -0.198 0.679) 2.235 4.102 ( 0.842 6.069 -1.361) 6.277 4.203 ( 2.119 2.386 1.151) 3.393 4.646 ( -3.150 -3.180 0.321) 4.488 5.127 ( 9.543 -0.376 2.646) 9.910 ======================= Grid point 242 (80/288) ======================= q-point: (-0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -11.566 -11.170 8.349) 18.118 1.780 ( -13.271 -1.335 5.350) 14.371 2.059 ( -2.543 4.553 -4.429) 6.842 2.357 ( -1.737 -2.455 2.313) 3.794 2.697 ( 3.875 4.119 -5.744) 8.060 2.883 ( -16.150 -5.456 -4.651) 17.670 3.738 ( -0.391 -2.332 -1.054) 2.588 3.831 ( -1.935 0.390 1.303) 2.365 4.191 ( 2.641 0.848 0.147) 2.778 4.277 ( 3.442 8.000 -2.461) 9.050 4.605 ( 0.312 -0.784 1.012) 1.317 5.294 ( 9.510 -0.775 3.779) 10.262 ======================= Grid point 243 (81/288) ======================= q-point: (-0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -14.783 -12.147 8.152) 20.798 1.521 ( -17.675 -1.002 5.388) 18.505 2.047 ( -1.745 3.358 -4.798) 6.110 2.291 ( -7.265 -4.046 -0.940) 8.368 2.417 ( -21.627 -6.160 2.424) 22.618 2.850 ( 7.291 3.251 -6.493) 10.290 3.700 ( -1.221 -1.687 -1.034) 2.325 3.817 ( -0.917 0.635 1.311) 1.722 4.173 ( -2.905 -1.323 -0.771) 3.284 4.475 ( 9.501 8.056 -3.681) 12.989 4.637 ( 3.068 0.343 1.597) 3.476 5.453 ( 8.630 -0.818 3.177) 9.232 ======================= Grid point 244 (82/288) ======================= q-point: (-0.07 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -15.670 -11.360 8.278) 21.051 1.194 ( -20.648 -1.804 2.825) 20.919 1.807 ( -31.343 -4.788 -0.448) 31.709 2.038 ( -1.084 2.494 -4.164) 4.973 2.254 ( -4.398 -3.072 1.502) 5.571 2.990 ( 6.833 2.567 -2.159) 7.612 3.664 ( -1.334 -0.457 -0.773) 1.608 3.817 ( 0.096 0.078 0.938) 0.946 4.083 ( -5.666 -0.834 -0.775) 5.779 4.661 ( 5.547 2.914 -5.437) 8.296 4.756 ( 9.255 2.814 3.362) 10.241 5.580 ( 6.640 -1.523 0.436) 6.826 ======================= Grid point 248 (83/288) ======================= q-point: ( 0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -0.000 21.290 3.547) 21.583 0.967 ( 0.000 16.660 12.183) 20.639 1.457 ( 0.000 27.938 12.134) 30.460 1.929 ( -0.000 -1.445 -6.887) 7.037 2.185 ( -0.000 6.099 -3.805) 7.188 3.024 ( -0.000 -6.036 -3.304) 6.881 3.629 ( -0.000 1.131 -1.141) 1.606 3.847 ( 0.000 -0.617 1.537) 1.656 3.984 ( -0.000 6.234 -0.774) 6.282 4.590 ( -0.000 -2.098 -10.097) 10.312 4.918 ( 0.000 -7.271 4.560) 8.582 5.640 ( -0.000 -3.333 -4.513) 5.610 ======================= Grid point 249 (84/288) ======================= q-point: ( 0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -4.295 17.809 13.019) 22.475 1.195 ( 1.637 20.365 -1.256) 20.470 1.823 ( 6.019 14.789 -3.161) 16.277 2.001 ( 11.659 8.711 3.737) 15.026 2.220 ( -0.712 4.992 -4.392) 6.687 2.965 ( 0.929 -5.579 -0.767) 5.708 3.651 ( 1.287 1.288 -0.535) 1.897 3.834 ( -1.021 0.177 0.684) 1.241 4.074 ( 3.240 4.422 -0.057) 5.482 4.552 ( 1.859 -4.332 -5.871) 7.529 4.833 ( -1.767 -9.790 4.759) 11.028 5.524 ( -7.324 -3.001 -6.100) 9.993 ======================= Grid point 250 (85/288) ======================= q-point: ( 0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -1.458 16.513 9.857) 19.286 1.410 ( 3.134 17.663 -4.431) 18.478 1.966 ( 6.678 4.828 -7.433) 11.098 2.232 ( -0.397 4.788 -5.603) 7.381 2.419 ( 14.148 13.679 6.984) 20.882 2.953 ( 3.281 -4.169 3.382) 6.291 3.691 ( 1.878 1.202 0.588) 2.306 3.828 ( -0.660 1.346 -0.000) 1.499 4.147 ( 1.636 1.224 -0.793) 2.191 4.529 ( 1.755 -4.259 -2.221) 5.114 4.701 ( -4.306 -8.641 3.952) 10.432 5.322 ( -9.328 -3.679 -7.176) 12.331 ======================= Grid point 251 (86/288) ======================= q-point: ( 0.43 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 1.626 12.844 4.109) 13.583 1.631 ( 4.589 15.926 -3.676) 16.977 2.120 ( 6.442 5.571 -3.143) 9.078 2.264 ( 0.703 4.474 -2.592) 5.218 2.704 ( 7.416 2.753 0.155) 7.912 3.038 ( 6.392 1.338 6.291) 9.068 3.741 ( 2.411 0.969 1.738) 3.126 3.835 ( -0.715 2.410 -0.109) 2.516 4.146 ( -0.598 -1.724 -1.944) 2.666 4.502 ( -2.175 -3.239 1.734) 4.269 4.562 ( -4.387 -2.170 -0.517) 4.922 5.121 ( -5.574 -6.056 -5.696) 10.009 ======================= Grid point 252 (87/288) ======================= q-point: ( 0.50 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 3.731 10.069 1.152) 10.800 1.844 ( 4.132 13.726 -3.462) 14.746 2.238 ( 1.353 3.942 1.503) 4.430 2.345 ( 4.039 4.947 -0.997) 6.464 2.773 ( 2.115 -2.255 -0.885) 3.216 3.156 ( 2.706 1.063 2.821) 4.051 3.799 ( 2.271 0.678 2.638) 3.546 3.848 ( -0.654 2.839 -0.317) 2.931 4.100 ( -1.000 -2.540 -2.016) 3.394 4.375 ( -9.458 1.676 0.919) 9.649 4.559 ( 3.063 1.278 -1.579) 3.676 4.985 ( -1.163 -8.132 -2.592) 8.614 ======================= Grid point 253 (88/288) ======================= q-point: ( 0.57 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 3.347 7.362 -0.746) 8.122 2.013 ( 2.661 10.707 -3.518) 11.580 2.261 ( -2.447 1.287 4.349) 5.154 2.456 ( 3.700 2.753 -0.450) 4.634 2.740 ( -4.157 0.533 -3.541) 5.486 3.187 ( 0.690 0.170 3.264) 3.341 3.820 ( -0.975 0.131 1.324) 1.650 3.878 ( 1.276 1.681 -0.184) 2.119 4.074 ( 0.881 -0.938 -0.855) 1.545 4.256 ( -8.048 4.770 -0.091) 9.356 4.656 ( 6.631 1.121 -0.310) 6.733 4.886 ( -0.943 -7.990 -1.116) 8.123 ======================= Grid point 254 (89/288) ======================= q-point: (-0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 0.694 3.285 -1.863) 3.840 2.117 ( 0.207 6.682 -1.768) 6.915 2.213 ( -4.539 -0.645 4.153) 6.186 2.497 ( 0.297 -1.829 -0.718) 1.987 2.653 ( -6.535 6.297 -6.731) 11.299 3.228 ( 0.615 2.455 6.091) 6.596 3.795 ( -1.396 -1.086 -0.504) 1.839 3.904 ( 0.241 0.624 0.089) 0.675 4.105 ( 2.752 -0.231 1.255) 3.034 4.197 ( -5.377 7.262 -0.706) 9.063 4.752 ( 1.182 -5.702 -0.038) 5.824 4.817 ( 4.799 -2.100 -0.313) 5.247 ======================= Grid point 255 (90/288) ======================= q-point: (-0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -3.343 -2.395 0.479) 4.140 2.100 ( -6.250 -0.490 1.487) 6.443 2.173 ( -2.498 4.505 1.512) 5.369 2.439 ( -2.422 -3.687 -1.568) 4.682 2.625 ( -2.949 8.219 -7.485) 11.501 3.253 ( -3.927 2.169 5.116) 6.805 3.753 ( -1.163 -2.103 -1.203) 2.687 3.900 ( -1.312 0.423 0.477) 1.459 4.131 ( 0.719 -0.720 1.079) 1.483 4.236 ( -0.295 9.563 -0.669) 9.591 4.660 ( -2.742 -4.354 -0.201) 5.149 4.941 ( 10.072 -3.382 1.071) 10.679 ======================= Grid point 256 (91/288) ======================= q-point: (-0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -8.421 -6.421 4.461) 11.491 1.960 ( -9.233 -0.674 -0.024) 9.257 2.174 ( -4.158 5.378 1.010) 6.873 2.359 ( -1.817 -3.702 -0.173) 4.127 2.662 ( 1.658 5.986 -6.826) 9.229 3.121 ( -13.924 -1.203 1.570) 14.064 3.717 ( -0.265 -1.869 -0.448) 1.940 3.876 ( -2.084 0.616 0.779) 2.309 4.152 ( 2.239 -0.296 0.120) 2.262 4.327 ( 0.355 8.844 -1.279) 8.943 4.598 ( -0.825 -1.774 0.243) 1.972 5.094 ( 11.672 -3.912 1.688) 12.425 ======================= Grid point 257 (92/288) ======================= q-point: (-0.14 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -13.946 -6.865 5.224) 16.399 1.769 ( -12.465 -1.221 -0.625) 12.540 2.136 ( -5.170 4.189 -2.189) 7.005 2.310 ( -0.881 -2.960 1.420) 3.399 2.748 ( -0.550 1.120 -8.251) 8.344 2.794 ( -16.807 0.714 5.512) 17.702 3.699 ( -0.471 -0.878 0.054) 0.998 3.849 ( -1.816 0.297 0.658) 1.954 4.181 ( 0.892 -0.640 -0.473) 1.195 4.427 ( 3.721 6.408 -1.344) 7.531 4.596 ( 1.670 -0.703 0.301) 1.837 5.265 ( 11.523 -2.862 0.511) 11.884 ======================= Grid point 258 (93/288) ======================= q-point: (-0.07 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -16.612 -4.019 4.212) 17.602 1.491 ( -17.442 -2.962 -3.077) 17.957 2.082 ( -3.835 2.008 -4.185) 6.021 2.251 ( -7.327 0.556 2.304) 7.701 2.352 ( -22.060 -0.977 0.322) 22.084 2.901 ( 6.246 3.221 1.762) 7.245 3.684 ( -1.082 0.527 0.167) 1.215 3.824 ( -1.001 -0.638 0.236) 1.210 4.158 ( -2.978 0.355 -0.357) 3.021 4.570 ( 7.195 2.701 -1.997) 7.941 4.643 ( 5.220 -1.198 2.298) 5.827 5.417 ( 9.304 -2.417 -2.857) 10.029 ======================= Grid point 263 (94/288) ======================= q-point: ( 0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 0.000 16.304 7.322) 17.873 1.372 ( -0.000 19.220 1.652) 19.291 1.864 ( -0.000 -0.882 -5.744) 5.811 2.052 ( -0.000 26.299 4.285) 26.645 2.251 ( -0.000 3.456 -5.880) 6.821 2.903 ( 0.000 -5.316 2.666) 5.947 3.655 ( -0.000 2.202 -1.015) 2.424 3.844 ( 0.000 -0.403 1.206) 1.272 4.091 ( -0.000 4.847 -0.915) 4.932 4.464 ( -0.000 -6.478 -3.427) 7.329 4.764 ( 0.000 -9.389 3.147) 9.902 5.537 ( -0.000 -4.159 -5.598) 6.974 ======================= Grid point 264 (95/288) ======================= q-point: ( 0.36 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -4.167 14.862 1.326) 15.492 1.533 ( 0.921 16.023 3.564) 16.440 1.892 ( 4.976 3.811 -5.030) 8.037 2.241 ( 1.014 3.458 -11.535) 12.085 2.399 ( 7.406 16.978 6.531) 19.641 2.888 ( 1.702 -2.552 6.882) 7.534 3.685 ( 0.958 2.314 -0.068) 2.506 3.843 ( -0.087 0.418 0.393) 0.580 4.140 ( 0.893 2.549 -1.295) 2.995 4.414 ( 3.305 -7.815 -0.434) 8.496 4.674 ( -1.586 -7.095 1.132) 7.358 5.414 ( -6.947 -4.679 -5.636) 10.095 ======================= Grid point 265 (96/288) ======================= q-point: ( 0.43 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -1.612 9.923 -1.088) 10.112 1.733 ( 1.583 16.574 5.136) 17.424 2.050 ( 7.775 6.551 -4.224) 11.009 2.267 ( 2.132 3.198 -6.973) 7.962 2.613 ( 4.681 1.371 0.914) 4.963 2.990 ( 5.272 6.284 7.353) 11.016 3.729 ( 1.417 1.947 1.781) 2.995 3.857 ( 0.470 1.477 -0.287) 1.577 4.143 ( -1.119 -0.642 -1.965) 2.351 4.421 ( 5.178 -6.328 1.038) 8.243 4.590 ( -2.165 -3.063 -0.445) 3.777 5.197 ( -10.093 -5.295 -4.977) 12.437 ======================= Grid point 266 (97/288) ======================= q-point: ( 0.50 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 1.705 9.621 1.380) 9.868 1.922 ( 1.509 13.442 2.521) 13.759 2.226 ( 5.864 6.022 -1.804) 8.597 2.336 ( 2.754 4.405 -1.769) 5.488 2.662 ( 5.381 -4.682 -0.968) 7.198 3.145 ( 2.433 5.451 1.455) 6.144 3.780 ( 1.810 1.286 3.086) 3.802 3.881 ( 0.225 2.106 -0.199) 2.127 4.093 ( -1.934 -1.994 -2.045) 3.449 4.451 ( 2.444 -2.888 0.993) 3.912 4.548 ( -1.082 1.367 -1.583) 2.355 4.967 ( -7.584 -6.753 -2.902) 10.561 ======================= Grid point 267 (98/288) ======================= q-point: ( 0.57 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 1.541 9.331 2.648) 9.821 2.064 ( 1.882 9.062 -0.459) 9.267 2.319 ( -0.818 2.526 2.521) 3.661 2.418 ( 3.087 1.680 0.608) 3.567 2.740 ( 5.757 2.097 -3.773) 7.196 3.182 ( -0.509 1.244 -1.482) 2.001 3.825 ( 1.193 0.012 2.415) 2.694 3.896 ( -0.961 1.861 0.086) 2.096 4.046 ( -0.229 -1.580 -1.285) 2.049 4.428 ( -5.139 3.225 -0.271) 6.073 4.579 ( 3.251 1.082 -0.856) 3.531 4.812 ( -1.443 -7.838 -0.611) 7.993 ======================= Grid point 268 (99/288) ======================= q-point: ( 0.64 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -1.409 6.763 1.596) 7.090 2.163 ( 1.221 5.774 -1.078) 6.000 2.284 ( -3.745 -1.354 3.465) 5.279 2.457 ( 1.422 -2.243 -0.395) 2.685 2.817 ( -3.568 10.135 -5.870) 12.243 3.212 ( 4.170 0.483 1.877) 4.598 3.818 ( -2.113 -0.561 0.203) 2.195 3.898 ( 0.455 -0.059 0.582) 0.741 4.053 ( 2.377 -1.146 0.418) 2.672 4.370 ( -6.311 6.711 -0.735) 9.242 4.644 ( 4.459 -2.752 0.014) 5.239 4.745 ( 0.928 -5.092 -0.177) 5.179 ======================= Grid point 269 (100/288) ======================= q-point: (-0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -5.100 1.670 0.778) 5.423 2.185 ( -3.497 0.597 0.516) 3.585 2.240 ( -0.986 2.035 1.796) 2.888 2.427 ( -0.893 -3.419 -1.145) 3.715 2.792 ( -7.706 9.532 -5.455) 13.417 3.307 ( 2.497 1.955 3.284) 4.565 3.764 ( -2.635 -1.192 -0.682) 2.971 3.909 ( 0.664 -0.345 0.603) 0.961 4.086 ( 2.502 -2.076 1.000) 3.401 4.364 ( -3.109 9.177 -0.845) 9.726 4.644 ( 0.077 -4.144 -0.024) 4.145 4.759 ( 5.906 -4.221 0.183) 7.262 ======================= Grid point 270 (101/288) ======================= q-point: (-0.21 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -7.338 -1.978 1.572) 7.761 2.096 ( -6.950 -0.120 -0.168) 6.953 2.265 ( -0.298 2.960 2.639) 3.977 2.360 ( -2.947 -2.869 -1.060) 4.247 2.737 ( -5.215 5.889 -4.113) 8.876 3.299 ( -6.212 -0.014 0.905) 6.277 3.717 ( -1.382 -0.644 0.479) 1.598 3.909 ( -0.876 0.090 0.357) 0.950 4.105 ( 2.183 -1.489 -0.034) 2.642 4.415 ( -1.293 7.229 -0.778) 7.385 4.601 ( -1.283 -1.593 -0.033) 2.045 4.856 ( 10.711 -4.460 0.355) 11.608 ======================= Grid point 271 (102/288) ======================= q-point: (-0.14 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -10.617 -2.358 1.525) 10.982 1.946 ( -10.059 -0.294 -1.840) 10.230 2.262 ( -5.769 -0.352 -0.635) 5.815 2.294 ( 0.114 0.233 2.253) 2.268 2.729 ( 0.325 3.096 -1.908) 3.651 3.110 ( -14.749 -0.468 0.707) 14.773 3.706 ( -0.520 0.503 1.506) 1.671 3.883 ( -1.949 -0.491 0.043) 2.011 4.139 ( 2.734 -0.233 -0.859) 2.875 4.440 ( -0.092 1.090 0.040) 1.095 4.577 ( -0.279 -0.324 -0.460) 0.628 5.031 ( 12.491 -1.313 -1.183) 12.615 ======================= Grid point 272 (103/288) ======================= q-point: (-0.07 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -14.280 0.481 0.056) 14.288 1.723 ( -14.270 -1.708 -5.001) 15.217 2.159 ( -4.700 -0.853 -0.388) 4.793 2.287 ( -1.828 0.344 -0.835) 2.039 2.718 ( -10.487 1.263 -2.184) 10.786 2.905 ( -5.269 4.081 8.185) 10.555 3.711 ( -0.653 1.646 1.357) 2.230 3.839 ( -1.868 -1.358 -0.367) 2.338 4.175 ( 1.244 0.495 -1.056) 1.705 4.460 ( 4.602 -3.921 2.235) 6.445 4.582 ( 1.431 -0.200 -1.152) 1.848 5.218 ( 10.591 -0.134 -4.396) 11.468 ======================= Grid point 278 (104/288) ======================= q-point: ( 0.36 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -0.000 9.237 -4.898) 10.455 1.696 ( -0.000 12.842 -4.073) 13.472 1.874 ( 0.000 5.183 4.441) 6.825 2.221 ( -0.000 2.547 -11.146) 11.434 2.517 ( 0.000 12.127 5.354) 13.256 2.901 ( 0.000 4.057 10.085) 10.870 3.702 ( -0.000 2.999 -0.570) 3.053 3.846 ( 0.000 -0.014 0.484) 0.484 4.155 ( -0.000 2.390 -1.847) 3.020 4.295 ( 0.000 -9.769 1.756) 9.925 4.632 ( 0.000 -4.069 -0.848) 4.156 5.406 ( -0.000 -5.937 -5.184) 7.882 ======================= Grid point 279 (105/288) ======================= q-point: ( 0.43 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -1.643 4.581 -7.419) 8.873 1.868 ( 6.994 10.927 -2.226) 13.163 1.976 ( 1.838 6.337 2.067) 6.914 2.243 ( 1.603 4.669 -5.791) 7.609 2.590 ( 0.038 -1.179 5.143) 5.276 3.039 ( 2.359 12.166 7.634) 14.555 3.738 ( 0.783 2.817 0.664) 2.998 3.853 ( 0.685 0.424 -0.135) 0.817 4.154 ( -1.075 -0.522 -2.016) 2.344 4.256 ( 5.058 -7.558 2.025) 9.317 4.594 ( -1.048 -0.761 -1.557) 2.025 5.272 ( -6.282 -6.515 -4.561) 10.135 ======================= Grid point 280 (106/288) ======================= q-point: ( 0.50 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 3.453 5.508 -2.559) 6.987 2.056 ( 0.296 6.053 1.568) 6.260 2.117 ( 11.185 8.417 -2.973) 14.311 2.323 ( 2.713 5.497 -1.971) 6.439 2.561 ( 0.146 -5.796 4.258) 7.194 3.197 ( 0.636 9.445 1.702) 9.618 3.783 ( 0.899 1.844 2.766) 3.444 3.876 ( 1.476 0.686 -0.650) 1.752 4.112 ( -1.974 -0.731 -1.880) 2.822 4.308 ( 7.414 -5.401 0.823) 9.209 4.578 ( -1.040 2.214 -1.196) 2.723 5.056 ( -9.518 -6.367 -3.199) 11.890 ======================= Grid point 281 (107/288) ======================= q-point: ( 0.57 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 5.292 6.895 1.334) 8.794 2.121 ( 1.073 4.581 -0.039) 4.705 2.343 ( 3.985 6.469 1.157) 7.686 2.395 ( 0.808 -0.043 1.572) 1.768 2.582 ( 9.692 -0.676 -1.040) 9.771 3.239 ( -3.197 4.551 -2.900) 6.272 3.814 ( 0.677 -0.008 2.793) 2.874 3.909 ( 1.334 0.815 -0.283) 1.588 4.064 ( -2.846 0.471 -1.577) 3.288 4.395 ( 7.212 -3.136 0.196) 7.866 4.589 ( -0.992 3.250 -0.703) 3.471 4.832 ( -8.199 -5.396 -1.207) 9.889 ======================= Grid point 282 (108/288) ======================= q-point: ( 0.64 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 1.749 6.161 2.287) 6.801 2.184 ( 1.487 3.936 -0.320) 4.220 2.334 ( -3.285 -3.123 2.111) 5.000 2.418 ( 0.781 -0.546 0.392) 1.030 2.838 ( 12.377 7.990 -1.763) 14.837 3.190 ( -3.613 1.121 -2.967) 4.807 3.826 ( 0.670 -0.803 1.152) 1.556 3.915 ( -1.737 -0.052 0.314) 1.766 4.027 ( -0.774 -0.017 -0.472) 0.907 4.476 ( 2.696 0.963 -0.161) 2.868 4.579 ( -1.590 -0.144 -0.737) 1.759 4.702 ( -1.766 -2.872 0.375) 3.392 ======================= Grid point 283 (109/288) ======================= q-point: (-0.29 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( -4.640 2.117 1.486) 5.312 2.232 ( -0.436 1.729 0.096) 1.786 2.264 ( -1.241 -1.210 0.610) 1.837 2.405 ( -0.245 -1.858 -0.135) 1.878 3.004 ( -6.243 9.709 -3.080) 11.947 3.208 ( 9.131 -2.022 0.643) 9.375 3.816 ( -3.182 0.808 -0.484) 3.318 3.877 ( 0.847 -2.490 1.329) 2.946 4.034 ( 1.579 -0.740 0.067) 1.745 4.492 ( -2.995 5.510 -0.725) 6.313 4.578 ( 2.779 -2.830 0.161) 3.970 4.674 ( 0.676 -2.695 0.235) 2.788 ======================= Grid point 284 (110/288) ======================= q-point: (-0.21 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -7.422 -0.804 1.005) 7.533 2.190 ( -4.153 0.037 -0.029) 4.154 2.269 ( 0.641 -1.035 0.790) 1.452 2.389 ( -1.031 0.864 0.491) 1.432 2.905 ( -9.350 2.838 -0.903) 9.813 3.315 ( 3.012 -1.902 -1.973) 4.072 3.760 ( -3.105 0.763 1.310) 3.456 3.899 ( 1.875 -0.642 0.246) 1.997 4.057 ( 1.942 -0.505 -0.556) 2.082 4.489 ( -2.202 0.808 -0.258) 2.360 4.597 ( 1.194 -0.285 -0.092) 1.231 4.691 ( 4.556 -0.273 0.093) 4.565 ======================= Grid point 285 (111/288) ======================= q-point: (-0.14 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -8.376 0.025 0.060) 8.377 2.092 ( -7.417 -0.115 -0.902) 7.473 2.254 ( -0.110 -3.978 1.353) 4.203 2.382 ( -2.953 3.597 1.391) 4.857 2.785 ( -4.992 -0.355 0.956) 5.095 3.257 ( -4.925 -2.944 -3.260) 6.599 3.741 ( -1.530 1.620 2.796) 3.575 3.901 ( -0.924 -0.759 -0.440) 1.274 4.092 ( 2.375 0.655 -1.449) 2.858 4.426 ( -1.075 -6.453 0.398) 6.554 4.599 ( -1.514 1.660 -0.339) 2.273 4.841 ( 9.920 3.509 -1.193) 10.590 ======================= Grid point 286 (112/288) ======================= q-point: (-0.07 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -10.621 2.790 -2.556) 11.275 1.919 ( -11.689 -0.815 -4.121) 12.421 2.196 ( -2.202 -4.018 2.710) 5.323 2.356 ( -4.279 2.882 -0.400) 5.174 2.756 ( 0.980 -0.517 3.062) 3.256 3.115 ( -8.532 0.408 1.176) 8.622 3.748 ( -0.823 2.019 2.640) 3.424 3.860 ( -2.269 -1.139 -0.875) 2.685 4.136 ( 2.621 0.318 -1.644) 3.111 4.352 ( 1.514 -8.935 1.399) 9.170 4.586 ( -1.549 1.752 -1.146) 2.604 5.044 ( 9.983 3.131 -3.447) 11.016 ======================= Grid point 293 (113/288) ======================= q-point: ( 0.43 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -0.000 1.922 -7.189) 7.441 1.769 ( -0.000 0.484 -12.043) 12.052 2.088 ( 0.000 9.617 6.215) 11.450 2.281 ( -0.000 7.230 -1.230) 7.334 2.583 ( 0.000 -4.820 6.623) 8.192 3.177 ( 0.000 13.900 6.087) 15.175 3.761 ( -0.000 2.992 0.051) 2.992 3.848 ( -0.000 0.193 -0.311) 0.366 4.113 ( 0.000 -7.594 1.668) 7.775 4.184 ( -0.000 0.194 -1.271) 1.286 4.604 ( -0.000 2.019 -1.645) 2.604 5.242 ( -0.000 -7.798 -4.143) 8.830 ======================= Grid point 294 (114/288) ======================= q-point: ( 0.50 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 1.692 2.529 -3.952) 4.988 1.850 ( 11.165 -2.011 -10.107) 15.194 2.200 ( 1.028 9.028 4.852) 10.300 2.354 ( 0.396 6.031 0.523) 6.067 2.537 ( -1.127 -5.644 5.451) 7.927 3.308 ( -0.946 10.167 2.292) 10.465 3.797 ( 0.718 2.372 1.436) 2.865 3.855 ( 0.801 -0.055 -0.774) 1.115 4.084 ( 3.290 -4.547 0.683) 5.654 4.188 ( 1.054 -0.651 -1.124) 1.673 4.625 ( -0.890 4.670 -0.914) 4.841 5.105 ( -5.147 -8.067 -3.201) 10.090 ======================= Grid point 295 (115/288) ======================= q-point: ( 0.57 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 6.893 4.047 0.230) 7.997 2.009 ( 11.740 -1.660 -6.110) 13.338 2.348 ( 5.041 8.052 2.836) 9.914 2.395 ( -0.527 0.456 2.151) 2.261 2.488 ( 0.152 -2.665 2.402) 3.590 3.345 ( -3.680 5.439 -1.636) 6.768 3.821 ( -0.433 -0.001 2.362) 2.401 3.879 ( 2.270 0.428 -0.905) 2.481 4.110 ( -0.171 1.579 -1.363) 2.093 4.222 ( 6.766 -3.727 0.289) 7.730 4.654 ( -1.831 5.584 -0.020) 5.877 4.911 ( -7.340 -6.838 -1.797) 10.191 ======================= Grid point 296 (116/288) ======================= q-point: ( 0.64 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 6.989 2.449 0.454) 7.420 2.155 ( 6.336 1.479 -1.466) 6.670 2.347 ( -2.585 -3.693 1.226) 4.672 2.438 ( -1.541 1.514 0.660) 2.258 2.629 ( 14.972 2.773 1.505) 15.301 3.297 ( -5.583 3.157 -2.251) 6.798 3.811 ( -0.032 -1.183 0.849) 1.456 3.917 ( 1.394 0.279 -0.221) 1.439 4.083 ( -3.949 1.578 -0.846) 4.336 4.340 ( 9.296 -2.049 0.364) 9.526 4.652 ( -4.120 2.744 -0.067) 4.950 4.744 ( -4.901 -2.903 -0.330) 5.706 ======================= Grid point 297 (117/288) ======================= q-point: (-0.29 -0.57 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 2.130 -1.536 -0.637) 2.702 2.238 ( 2.120 0.675 -0.180) 2.232 2.272 ( -2.407 -1.137 0.017) 2.662 2.410 ( -1.460 -0.434 -0.291) 1.551 2.937 ( 16.806 0.283 1.259) 16.855 3.212 ( -7.327 2.487 0.098) 7.738 3.814 ( 1.539 -0.753 -0.109) 1.717 3.907 ( -3.042 -0.266 -0.559) 3.104 4.030 ( -1.881 0.309 0.163) 1.913 4.474 ( 6.795 0.071 0.365) 6.805 4.585 ( -3.869 0.488 -0.212) 3.905 4.677 ( -2.407 -0.374 -0.003) 2.436 ======================= Grid point 298 (118/288) ======================= q-point: (-0.21 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( -3.631 -3.863 -0.663) 5.343 2.232 ( -0.752 -1.354 0.053) 1.549 2.253 ( -1.016 -0.651 -0.434) 1.282 2.409 ( 0.540 2.112 0.212) 2.190 3.052 ( -4.959 -6.453 1.722) 8.319 3.192 ( 5.784 2.153 -0.782) 6.221 3.827 ( -2.501 -1.434 0.465) 2.920 3.858 ( 1.272 2.195 -0.627) 2.613 4.031 ( 0.941 0.524 -0.190) 1.093 4.502 ( -2.889 -5.165 0.300) 5.925 4.577 ( 2.335 3.187 0.025) 3.951 4.670 ( 1.047 2.496 -0.172) 2.713 ======================= Grid point 299 (119/288) ======================= q-point: (-0.14 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -4.994 -1.301 -0.107) 5.162 2.181 ( -3.784 -1.093 -0.043) 3.939 2.223 ( -0.340 -3.058 0.188) 3.083 2.448 ( -0.136 3.429 0.989) 3.571 2.872 ( -7.497 -6.501 2.627) 10.265 3.235 ( 0.813 -3.334 -3.832) 5.144 3.790 ( -1.505 0.698 1.776) 2.431 3.897 ( 0.781 0.505 -0.558) 1.085 4.065 ( 1.757 1.594 -1.145) 2.635 4.375 ( -2.976 -8.977 0.361) 9.465 4.645 ( 0.247 4.457 0.030) 4.464 4.753 ( 5.149 4.233 -0.412) 6.679 ======================= Grid point 300 (120/288) ======================= q-point: (-0.07 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -6.863 2.813 -2.516) 7.832 2.070 ( -7.970 -1.330 -2.531) 8.467 2.186 ( -0.442 -3.842 3.169) 5.000 2.456 ( -3.302 2.880 0.438) 4.403 2.739 ( -1.178 -5.110 3.899) 6.535 3.176 ( -1.691 -3.025 -2.447) 4.242 3.787 ( -0.801 0.922 2.191) 2.509 3.887 ( -1.677 -0.037 -0.744) 1.835 4.101 ( 1.333 0.871 -1.901) 2.479 4.250 ( -0.536 -9.761 0.696) 9.800 4.661 ( -3.374 4.755 -0.138) 5.832 4.913 ( 8.586 3.398 -1.723) 9.393 ======================= Grid point 308 (121/288) ======================= q-point: ( 0.50 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -0.000 -1.439 -6.551) 6.707 1.682 ( -0.000 1.415 -2.832) 3.166 2.266 ( 0.000 5.193 2.320) 5.688 2.407 ( 0.000 3.320 1.832) 3.792 2.511 ( 0.000 -3.875 3.551) 5.256 3.414 ( -0.000 7.224 0.961) 7.288 3.813 ( -0.000 2.002 0.397) 2.041 3.848 ( -0.000 0.088 -0.600) 0.606 4.001 ( 0.000 -4.442 1.632) 4.733 4.186 ( -0.000 0.774 -1.609) 1.786 4.692 ( -0.000 7.348 -0.132) 7.349 5.053 ( -0.000 -9.173 -2.674) 9.555 ======================= Grid point 309 (122/288) ======================= q-point: ( 0.57 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 4.739 1.648 -0.489) 5.042 1.782 ( 9.881 0.504 -1.723) 10.042 2.331 ( 2.876 2.337 0.189) 3.711 2.414 ( -0.600 -1.884 3.155) 3.724 2.493 ( -0.875 0.214 0.707) 1.145 3.441 ( -2.557 3.192 -1.608) 4.394 3.837 ( -0.937 -0.721 -0.171) 1.194 3.846 ( 1.714 1.170 0.521) 2.140 4.027 ( 5.965 -1.637 0.713) 6.227 4.182 ( -0.838 0.557 -1.107) 1.496 4.759 ( -1.819 8.473 0.715) 8.695 4.922 ( -3.670 -8.680 -1.689) 9.574 ======================= Grid point 310 (123/288) ======================= q-point: (-0.36 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 7.429 -0.576 -0.881) 7.503 2.008 ( 12.077 3.527 2.507) 12.829 2.356 ( -1.089 -2.038 -1.976) 3.040 2.442 ( 5.928 -2.904 1.657) 6.806 2.480 ( -0.011 1.320 1.080) 1.705 3.397 ( -3.826 0.937 -1.684) 4.284 3.808 ( -0.850 -1.311 -0.853) 1.780 3.889 ( 1.983 0.449 0.597) 2.119 4.152 ( 0.068 2.930 -0.775) 3.032 4.164 ( 6.913 -2.257 0.694) 7.306 4.765 ( -5.498 -4.160 -0.726) 6.933 4.790 ( -3.545 4.832 0.917) 6.062 ======================= Grid point 311 (124/288) ======================= q-point: (-0.29 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 6.387 -3.631 -1.699) 7.541 2.183 ( 3.938 -0.300 1.178) 4.121 2.309 ( -1.345 0.982 -2.708) 3.179 2.418 ( -0.933 -2.871 -0.906) 3.152 2.654 ( 14.872 -1.654 3.694) 15.413 3.331 ( -4.329 0.007 1.230) 4.501 3.786 ( 0.362 -0.950 -1.726) 2.003 3.918 ( 0.817 -0.023 -0.056) 0.819 4.095 ( -4.169 -0.364 0.359) 4.200 4.342 ( 9.495 2.027 0.520) 9.723 4.649 ( -3.501 -2.435 -0.307) 4.275 4.753 ( -5.950 3.344 0.539) 6.847 ======================= Grid point 312 (125/288) ======================= q-point: (-0.21 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 1.835 -6.905 -2.459) 7.556 2.189 ( 1.801 -3.959 0.138) 4.351 2.295 ( -2.818 1.079 -1.985) 3.612 2.404 ( 1.774 0.296 -0.975) 2.046 2.876 ( 11.614 -5.895 2.112) 13.194 3.257 ( -4.703 -0.417 3.941) 6.150 3.795 ( 1.870 -0.446 -2.145) 2.881 3.907 ( -1.997 0.367 -0.532) 2.099 4.041 ( -1.565 0.613 1.009) 1.961 4.482 ( 2.827 -0.940 0.448) 3.012 4.592 ( -1.512 0.489 0.529) 1.674 4.695 ( -2.288 3.256 -0.353) 3.995 ======================= Grid point 313 (126/288) ======================= q-point: (-0.14 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 0.795 -5.518 -0.355) 5.586 2.179 ( 1.135 -4.313 0.537) 4.492 2.232 ( -3.272 -0.918 -1.860) 3.874 2.455 ( 2.536 1.851 -0.589) 3.195 2.882 ( -1.676 -9.375 0.510) 9.537 3.208 ( -1.569 -1.358 1.957) 2.852 3.804 ( 0.215 -0.445 -1.409) 1.493 3.894 ( 0.160 0.753 0.224) 0.801 4.056 ( 0.998 1.805 0.726) 2.187 4.377 ( -6.275 -6.915 0.007) 9.338 4.645 ( 3.946 2.571 0.066) 4.710 4.749 ( 1.161 6.065 0.341) 6.184 ======================= Grid point 314 (127/288) ======================= q-point: (-0.07 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -0.250 -0.433 -0.000) 0.500 2.133 ( -2.284 -3.957 -0.000) 4.569 2.170 ( -1.369 -2.371 -0.000) 2.738 2.504 ( 0.722 1.250 -0.000) 1.444 2.728 ( -4.165 -7.214 -0.000) 8.330 3.160 ( -1.688 -2.924 -0.000) 3.377 3.801 ( -0.011 -0.019 -0.000) 0.022 3.902 ( -0.070 -0.121 -0.000) 0.139 4.093 ( 0.819 1.419 -0.000) 1.638 4.203 ( -4.552 -7.885 -0.000) 9.105 4.753 ( 2.811 4.869 -0.000) 5.623 4.819 ( 2.138 3.703 -0.000) 4.276 ======================= Grid point 324 (128/288) ======================= q-point: (-0.43 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 0.000 3.430 3.126) 4.641 1.707 ( 0.000 1.510 1.710) 2.281 2.308 ( -0.000 -1.246 -1.482) 1.936 2.402 ( 0.000 -2.281 1.218) 2.586 2.505 ( 0.000 -0.196 0.196) 0.278 3.468 ( -0.000 -0.639 -3.570) 3.627 3.828 ( -0.000 -0.386 -1.010) 1.081 3.856 ( 0.000 0.487 1.023) 1.133 3.959 ( 0.000 -0.686 0.945) 1.168 4.194 ( -0.000 0.775 -0.737) 1.069 4.842 ( 0.000 -3.886 0.150) 3.889 4.891 ( -0.000 5.042 0.236) 5.048 ======================= Grid point 325 (129/288) ======================= q-point: (-0.36 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 2.388 0.682 2.287) 3.376 1.871 ( 10.495 5.682 6.916) 13.794 2.292 ( 2.173 -4.993 -3.871) 6.681 2.383 ( -0.060 -1.623 0.138) 1.630 2.490 ( -0.639 -1.402 0.057) 1.542 3.420 ( -1.231 -3.626 -3.872) 5.446 3.807 ( -1.027 -1.245 -1.618) 2.285 3.869 ( 1.061 0.155 1.359) 1.731 4.024 ( 6.491 0.966 0.491) 6.581 4.192 ( -0.984 0.781 -0.146) 1.265 4.750 ( -1.866 -7.421 -0.119) 7.653 4.952 ( -3.940 9.707 1.404) 10.570 ======================= Grid point 326 (130/288) ======================= q-point: (-0.29 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 4.369 -2.181 1.018) 4.988 2.114 ( 6.103 2.151 3.848) 7.529 2.261 ( 4.764 -5.639 -5.269) 9.070 2.378 ( 0.958 -2.343 0.947) 2.703 2.488 ( 3.547 -0.515 1.807) 4.014 3.350 ( -0.640 -5.318 -1.223) 5.494 3.772 ( -0.685 -1.182 -2.489) 2.839 3.895 ( 1.563 -0.316 0.764) 1.769 4.130 ( 0.668 -0.979 0.836) 1.450 4.224 ( 6.300 3.910 0.336) 7.422 4.655 ( -2.003 -4.637 0.104) 5.052 4.939 ( -8.049 7.629 1.162) 11.151 ======================= Grid point 327 (131/288) ======================= q-point: (-0.21 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 2.720 -6.628 -1.787) 7.384 2.103 ( 1.686 -7.279 -1.140) 7.558 2.332 ( 3.463 1.095 -3.690) 5.178 2.345 ( -0.950 -3.400 0.123) 3.532 2.648 ( 11.243 -0.447 5.109) 12.357 3.287 ( -0.558 -5.955 1.993) 6.305 3.755 ( 1.000 -0.674 -3.251) 3.468 3.912 ( 0.600 -0.801 0.047) 1.002 4.092 ( -2.886 0.253 1.318) 3.183 4.401 ( 7.273 2.727 0.689) 7.798 4.598 ( -0.718 -2.315 0.286) 2.440 4.852 ( -9.353 6.423 0.773) 11.372 ======================= Grid point 328 (132/288) ======================= q-point: (-0.14 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 3.100 -8.230 -1.162) 8.871 2.082 ( 3.590 -7.401 1.255) 8.321 2.272 ( -3.261 -1.902 -2.444) 4.498 2.395 ( 4.413 -0.859 -1.498) 4.739 2.785 ( 4.396 -3.390 0.879) 5.620 3.227 ( -1.058 -4.700 3.224) 5.797 3.770 ( 2.089 -0.398 -3.338) 3.958 3.898 ( -0.542 -1.433 0.312) 1.564 4.077 ( -0.760 2.157 1.807) 2.914 4.429 ( -4.830 -3.790 -0.190) 6.142 4.594 ( 2.408 -0.693 0.636) 2.585 4.830 ( -1.911 9.458 1.233) 9.728 ======================= Grid point 339 (133/288) ======================= q-point: (-0.36 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 0.000 1.500 5.540) 5.740 1.836 ( 0.000 6.517 9.454) 11.483 2.199 ( -0.000 -7.735 -4.870) 9.140 2.364 ( -0.000 -2.176 -1.601) 2.702 2.479 ( -0.000 -1.070 -0.597) 1.225 3.352 ( -0.000 -8.469 -5.513) 10.105 3.803 ( -0.000 -1.524 -0.631) 1.649 3.862 ( 0.000 -0.455 0.769) 0.894 3.984 ( -0.000 3.070 -0.120) 3.073 4.206 ( 0.000 0.453 0.421) 0.619 4.698 ( 0.000 -6.145 0.480) 6.164 5.094 ( -0.000 10.217 1.552) 10.334 ======================= Grid point 340 (134/288) ======================= q-point: (-0.29 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -1.439 0.131 5.396) 5.586 2.028 ( 9.846 3.086 7.480) 12.745 2.093 ( 0.409 -11.575 -6.490) 13.276 2.344 ( 1.006 -2.038 1.084) 2.518 2.475 ( -0.066 1.658 -1.361) 2.146 3.245 ( 1.549 -11.877 -4.411) 12.764 3.771 ( -1.250 -1.631 -1.195) 2.377 3.868 ( 1.152 -0.750 0.492) 1.460 4.076 ( 5.159 4.438 0.090) 6.806 4.209 ( 0.184 0.678 0.860) 1.110 4.640 ( -1.116 -3.720 0.648) 3.937 5.148 ( -5.477 9.129 1.311) 10.727 ======================= Grid point 341 (135/288) ======================= q-point: (-0.21 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -1.277 -5.765 0.014) 5.904 1.970 ( 2.195 -11.969 -3.083) 12.553 2.194 ( 7.842 -3.683 0.983) 8.719 2.351 ( -0.320 -1.295 0.754) 1.532 2.549 ( 5.095 5.389 3.915) 8.386 3.159 ( 4.160 -12.971 -2.344) 13.822 3.734 ( -0.509 -1.167 -2.143) 2.492 3.883 ( 1.406 -1.150 0.019) 1.817 4.141 ( -1.510 1.358 1.217) 2.368 4.308 ( 7.572 4.435 0.690) 8.802 4.595 ( -1.238 -1.601 0.593) 2.109 5.099 ( -9.971 7.806 1.177) 12.718 ======================= Grid point 342 (136/288) ======================= q-point: (-0.14 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 1.425 -10.643 -2.552) 11.037 1.927 ( 4.671 -10.174 2.112) 11.393 2.253 ( 3.282 -5.354 1.149) 6.384 2.319 ( 0.201 -0.820 -2.779) 2.905 2.706 ( 4.906 2.925 2.999) 6.451 3.119 ( 5.523 -11.017 -1.239) 12.386 3.725 ( 1.242 -0.428 -2.642) 2.950 3.883 ( 0.223 -2.060 -0.014) 2.072 4.128 ( -1.764 2.159 1.565) 3.197 4.441 ( 1.708 1.236 -0.198) 2.118 4.571 ( -0.379 -0.705 0.892) 1.198 5.016 ( -8.009 9.056 2.174) 12.284 ======================= Grid point 354 (137/288) ======================= q-point: (-0.29 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 0.000 0.104 8.322) 8.322 1.926 ( 0.000 -5.271 2.580) 5.868 1.959 ( -0.000 -11.786 -7.917) 14.198 2.332 ( 0.000 0.020 5.732) 5.732 2.499 ( -0.000 4.377 -1.917) 4.779 3.066 ( -0.000 -16.968 -5.419) 17.812 3.763 ( 0.000 -2.341 0.263) 2.356 3.849 ( -0.000 -0.896 -0.214) 0.921 4.089 ( -0.000 7.987 -0.512) 8.003 4.212 ( 0.000 -0.570 1.252) 1.376 4.625 ( 0.000 -1.601 0.672) 1.737 5.291 ( -0.000 8.941 0.981) 8.994 ======================= Grid point 355 (138/288) ======================= q-point: (-0.21 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -6.455 -11.071 -5.135) 13.806 1.799 ( 2.181 -11.287 0.838) 11.526 2.013 ( 8.730 -4.335 1.405) 9.848 2.352 ( -0.305 -0.900 3.833) 3.949 2.569 ( 1.822 6.353 4.569) 8.035 2.909 ( 4.440 -17.989 -5.794) 19.414 3.730 ( -0.961 -2.053 -0.112) 2.269 3.849 ( 1.076 -0.958 -0.597) 1.560 4.182 ( -0.625 2.573 1.005) 2.832 4.246 ( 5.276 5.617 0.802) 7.748 4.612 ( -1.099 0.376 0.339) 1.210 5.323 ( -6.231 7.939 0.699) 10.117 ======================= Grid point 356 (139/288) ======================= q-point: (-0.14 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -1.539 -15.510 -6.756) 16.987 1.751 ( 4.110 -11.639 3.146) 12.738 2.114 ( 6.821 -3.983 2.813) 8.385 2.320 ( -1.596 -2.174 -0.574) 2.758 2.675 ( 4.311 -2.143 7.295) 8.740 2.853 ( 7.853 -9.700 -7.193) 14.405 3.703 ( 0.059 -1.030 -0.872) 1.351 3.854 ( 0.811 -1.499 -0.491) 1.774 4.173 ( -1.021 0.407 1.193) 1.622 4.418 ( 4.591 6.576 0.669) 8.048 4.596 ( -1.841 1.378 0.131) 2.303 5.260 ( -9.338 7.651 1.650) 12.185 ======================= Grid point 369 (140/288) ======================= q-point: (-0.21 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -0.000 -16.996 -7.682) 18.652 1.681 ( -0.000 -15.986 -5.700) 16.972 1.916 ( 0.000 1.538 6.859) 7.030 2.347 ( 0.000 -3.620 1.587) 3.953 2.566 ( 0.000 -15.832 9.602) 18.516 2.727 ( -0.000 2.240 -6.698) 7.063 3.717 ( 0.000 -2.592 1.121) 2.824 3.830 ( -0.000 -0.531 -1.257) 1.364 4.187 ( 0.000 -2.716 1.487) 3.097 4.292 ( -0.000 11.761 1.315) 11.835 4.636 ( -0.000 2.344 -0.481) 2.393 5.454 ( -0.000 7.356 -0.096) 7.357 ======================= Grid point 370 (141/288) ======================= q-point: (-0.14 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -4.255 -18.963 -9.941) 21.829 1.554 ( 4.644 -15.723 -1.791) 16.492 1.998 ( 4.900 -0.171 5.810) 7.603 2.287 ( 2.114 -10.669 -0.662) 10.896 2.425 ( 4.070 -19.031 1.982) 19.562 2.813 ( 0.961 9.103 1.016) 9.210 3.692 ( -0.358 -1.943 0.752) 2.114 3.828 ( 0.653 -0.523 -1.199) 1.462 4.164 ( 0.613 -3.285 1.184) 3.545 4.445 ( 2.823 11.124 2.835) 11.821 4.651 ( -1.494 3.821 -1.449) 4.351 5.468 ( -5.982 6.554 0.016) 8.873 ======================= Grid point 384 (142/288) ======================= q-point: (-0.14 -0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -0.000 -18.723 -9.416) 20.958 1.283 ( -0.000 -19.386 -8.467) 21.154 1.984 ( 0.000 1.135 6.473) 6.572 2.006 ( 0.000 -29.843 2.389) 29.939 2.321 ( -0.000 -5.867 -1.567) 6.072 2.908 ( 0.000 8.904 3.978) 9.753 3.678 ( 0.000 -2.166 1.445) 2.604 3.817 ( -0.000 0.248 -1.666) 1.684 4.116 ( 0.000 -5.278 1.546) 5.500 4.548 ( 0.000 11.114 5.662) 12.473 4.707 ( -0.000 6.173 -3.208) 6.957 5.578 ( -0.000 5.672 -1.480) 5.862 ======================= Grid point 431 (143/288) ======================= q-point: ( 0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 0.000 -0.000 20.306) 20.306 0.380 ( 0.000 -0.000 20.306) 20.306 0.633 ( 0.000 -0.000 34.217) 34.217 2.008 ( -0.000 0.000 -4.392) 4.392 2.008 ( -0.000 0.000 -4.392) 4.392 3.618 ( -0.000 0.000 -14.228) 14.228 3.621 ( -0.000 0.000 -0.651) 0.651 3.621 ( -0.000 0.000 -0.651) 0.651 3.853 ( 0.000 -0.000 1.204) 1.204 3.853 ( 0.000 -0.000 1.204) 1.204 4.908 ( 0.000 -0.000 7.129) 7.129 5.833 ( -0.000 0.000 -0.882) 0.882 ======================= Grid point 432 (144/288) ======================= q-point: ( 0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( 6.488 3.746 13.702) 15.616 0.550 ( 5.792 3.344 19.175) 20.308 1.069 ( 23.276 13.438 19.943) 33.468 1.999 ( 1.950 1.126 -5.878) 6.294 2.032 ( 1.687 0.974 -3.376) 3.897 3.153 ( -6.135 -3.542 -3.797) 8.038 3.631 ( 0.797 0.460 -0.643) 1.123 3.841 ( -0.945 -0.546 1.184) 1.611 3.908 ( 5.260 3.037 0.894) 6.139 4.497 ( 19.526 11.273 -26.902) 35.101 4.967 ( 3.011 1.739 3.904) 5.228 5.689 ( -9.713 -5.608 -0.191) 11.217 ======================= Grid point 433 (145/288) ======================= q-point: ( 0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 12.195 7.041 5.748) 15.210 0.779 ( 9.864 5.695 9.501) 14.833 1.639 ( 21.491 12.408 4.990) 25.313 2.064 ( 1.859 1.073 -2.147) 3.036 2.075 ( 6.632 3.829 -0.707) 7.691 3.068 ( -1.183 -0.683 -4.189) 4.407 3.654 ( 1.426 0.824 -0.926) 1.890 3.820 ( -1.156 -0.667 1.293) 1.858 4.045 ( 5.734 3.310 1.635) 6.819 4.625 ( 1.451 0.838 -9.270) 9.420 4.985 ( -4.008 -2.314 4.878) 6.724 5.459 ( -8.595 -4.963 -7.663) 12.539 ======================= Grid point 434 (146/288) ======================= q-point: ( 0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 13.698 7.909 1.271) 15.868 1.036 ( 11.144 6.434 1.091) 12.914 1.974 ( 9.781 5.647 -10.768) 15.605 2.103 ( 1.895 1.094 -0.646) 2.281 2.367 ( 16.129 9.312 10.905) 21.582 3.062 ( 1.144 0.660 -0.042) 1.321 3.692 ( 2.233 1.289 -1.310) 2.892 3.801 ( -0.863 -0.498 1.427) 1.740 4.150 ( 2.864 1.654 0.148) 3.311 4.594 ( -1.900 -1.097 -3.225) 3.900 4.802 ( -13.021 -7.517 7.950) 17.008 5.287 ( -3.896 -2.249 -11.520) 12.367 ======================= Grid point 435 (147/288) ======================= q-point: ( 0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 11.302 6.525 -4.121) 13.686 1.311 ( 12.853 7.421 -1.687) 14.937 2.135 ( 7.759 4.480 -6.848) 11.276 2.145 ( 1.727 0.997 1.167) 2.310 2.716 ( 10.189 5.882 5.099) 12.822 3.117 ( 2.865 1.654 5.447) 6.373 3.745 ( 2.689 1.552 -1.640) 3.512 3.792 ( -0.150 -0.087 1.551) 1.561 4.173 ( -0.414 -0.239 -1.776) 1.839 4.480 ( -12.927 -7.463 5.104) 15.775 4.561 ( -2.411 -1.392 -2.433) 3.697 5.193 ( -2.391 -1.380 -6.995) 7.520 ======================= Grid point 436 (148/288) ======================= q-point: ( 0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 10.960 6.328 -6.391) 14.178 1.568 ( 10.318 5.957 -3.941) 12.549 2.185 ( 1.055 0.609 3.142) 3.370 2.294 ( 7.279 4.202 -2.552) 8.784 2.825 ( -0.895 -0.517 1.288) 1.652 3.194 ( 1.041 0.601 6.791) 6.897 3.783 ( 0.670 0.387 -0.195) 0.797 3.818 ( 2.234 1.290 0.018) 2.580 4.131 ( -2.648 -1.529 -1.517) 3.414 4.229 ( -8.304 -4.794 1.885) 9.772 4.572 ( 3.595 2.075 -1.839) 4.540 5.116 ( -3.395 -1.960 -3.174) 5.044 ======================= Grid point 437 (149/288) ======================= q-point: ( 0.57 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 9.758 5.634 -7.241) 13.394 1.752 ( 7.119 4.110 -5.415) 9.843 2.203 ( -0.728 -0.420 4.749) 4.823 2.430 ( 4.476 2.584 -0.746) 5.222 2.726 ( -6.565 -3.790 -1.490) 7.726 3.195 ( -1.993 -1.150 7.600) 7.940 3.793 ( 0.261 0.150 0.442) 0.535 3.866 ( 1.748 1.009 -0.586) 2.102 4.059 ( -2.727 -1.574 -0.457) 3.182 4.131 ( -1.457 -0.841 0.441) 1.740 4.704 ( 7.811 4.510 -0.554) 9.036 5.009 ( -5.453 -3.148 -1.641) 6.507 ======================= Grid point 438 (150/288) ======================= q-point: (-0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 4.315 2.491 -5.702) 7.572 1.909 ( 6.196 3.577 -5.707) 9.152 2.168 ( -3.921 -2.264 5.323) 6.988 2.468 ( -0.663 -0.383 -0.901) 1.182 2.581 ( -4.503 -2.600 -4.589) 6.935 3.185 ( -0.896 -0.518 8.915) 8.975 3.797 ( -0.102 -0.059 0.467) 0.482 3.888 ( 0.259 0.149 -0.495) 0.578 4.016 ( -0.886 -0.512 -1.492) 1.809 4.135 ( 1.185 0.684 1.858) 2.308 4.859 ( -5.846 -3.375 -0.644) 6.781 4.900 ( 7.662 4.423 0.021) 8.847 ======================= Grid point 439 (151/288) ======================= q-point: (-0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 1.330 0.768 -3.215) 3.563 1.961 ( -1.476 -0.852 2.038) 2.657 2.054 ( -6.944 -4.009 3.179) 8.626 2.463 ( -0.540 -0.312 -0.231) 0.665 2.487 ( 0.115 0.066 -9.561) 9.562 3.175 ( -3.383 -1.953 5.907) 7.081 3.790 ( -0.591 -0.341 0.251) 0.728 3.875 ( -1.184 -0.684 -0.143) 1.375 4.013 ( 1.464 0.845 -1.931) 2.566 4.182 ( 2.078 1.200 1.986) 3.115 4.711 ( -5.555 -3.207 -0.333) 6.424 5.092 ( 8.025 4.633 1.659) 9.414 ======================= Grid point 440 (152/288) ======================= q-point: (-0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -11.686 -6.747 8.265) 15.824 1.855 ( -9.117 -5.264 8.377) 13.453 1.974 ( 1.058 0.611 -7.819) 7.914 2.400 ( -2.347 -1.355 1.063) 2.911 2.579 ( 7.407 4.277 -10.611) 13.629 3.007 ( -12.856 -7.423 0.469) 14.853 3.770 ( -1.241 -0.717 -0.490) 1.515 3.841 ( -1.634 -0.943 0.687) 2.008 4.099 ( 6.862 3.962 -1.542) 8.072 4.221 ( 0.708 0.409 0.258) 0.857 4.626 ( -1.801 -1.040 0.573) 2.157 5.273 ( 7.330 4.232 2.921) 8.954 ======================= Grid point 441 (153/288) ======================= q-point: (-0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -15.116 -8.727 8.404) 19.373 1.612 ( -14.172 -8.182 9.194) 18.771 1.980 ( 1.194 0.690 -7.090) 7.223 2.352 ( -3.271 -1.888 0.507) 3.810 2.603 ( -20.205 -11.665 2.208) 23.435 2.741 ( 7.940 4.584 -10.361) 13.835 3.729 ( -2.047 -1.182 -1.326) 2.710 3.817 ( -0.681 -0.393 1.543) 1.732 4.198 ( -1.972 -1.138 -0.855) 2.432 4.310 ( 10.887 6.286 -2.771) 12.873 4.628 ( 1.550 0.895 1.118) 2.110 5.440 ( 6.474 3.738 3.085) 8.087 ======================= Grid point 446 (154/288) ======================= q-point: ( 0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 0.000 15.707 10.807) 19.066 0.709 ( 0.000 13.422 16.044) 20.918 1.047 ( 0.000 18.228 24.811) 30.788 1.940 ( -0.000 -1.791 -6.629) 6.867 2.055 ( -0.000 5.384 -4.378) 6.940 3.138 ( -0.000 -8.846 -4.364) 9.864 3.613 ( -0.000 0.163 -0.857) 0.872 3.861 ( 0.000 -0.307 1.443) 1.476 3.869 ( -0.000 4.677 -0.724) 4.732 4.408 ( -0.000 22.122 -23.611) 32.355 4.978 ( 0.000 1.686 5.308) 5.569 5.725 ( 0.000 -6.908 -1.395) 7.047 ======================= Grid point 447 (155/288) ======================= q-point: ( 0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -0.140 19.740 5.554) 20.507 0.836 ( -1.407 12.951 16.427) 20.966 1.477 ( 15.831 17.446 10.331) 25.724 1.954 ( 5.866 -0.325 -3.904) 7.054 2.098 ( 0.077 5.817 -3.900) 7.004 3.044 ( -0.596 -3.824 -5.378) 6.625 3.633 ( 1.588 0.445 -0.652) 1.773 3.836 ( -1.370 -0.325 0.761) 1.601 3.988 ( 5.596 4.263 1.263) 7.147 4.544 ( 4.832 3.864 -13.317) 14.685 4.993 ( -0.178 -3.249 4.480) 5.537 5.567 ( -9.231 -4.577 -4.733) 11.339 ======================= Grid point 448 (156/288) ======================= q-point: ( 0.36 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 1.706 14.967 11.307) 18.836 1.041 ( 4.273 16.078 1.016) 16.668 1.826 ( 9.996 7.382 -8.974) 15.328 2.103 ( 2.817 5.214 -3.397) 6.831 2.231 ( 13.045 8.571 9.618) 18.335 3.018 ( 2.175 -1.935 -2.587) 3.894 3.668 ( 1.828 1.195 -0.588) 2.261 3.816 ( -0.938 -0.222 0.758) 1.227 4.111 ( 3.923 2.338 0.773) 4.632 4.575 ( 1.364 -1.429 -5.327) 5.681 4.908 ( -5.342 -9.007 7.010) 12.602 5.342 ( -9.424 -1.781 -9.761) 13.685 ======================= Grid point 449 (157/288) ======================= q-point: ( 0.43 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 4.986 10.954 5.792) 13.357 1.290 ( 6.201 16.381 -3.007) 17.772 2.008 ( 8.713 4.586 -6.971) 12.064 2.160 ( 0.886 4.710 -2.906) 5.605 2.598 ( 13.037 7.659 6.545) 16.476 3.064 ( 4.804 -0.723 2.276) 5.365 3.717 ( 2.351 1.850 -0.597) 3.050 3.805 ( -0.716 0.415 0.932) 1.247 4.161 ( 0.868 -0.239 -1.240) 1.532 4.548 ( -0.911 -1.796 -1.892) 2.763 4.679 ( -12.646 -8.181 5.279) 15.960 5.186 ( -3.292 -2.581 -8.197) 9.203 ======================= Grid point 450 (158/288) ======================= q-point: ( 0.50 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 6.943 8.678 0.427) 11.122 1.541 ( 6.061 14.717 -3.793) 16.362 2.167 ( 5.205 3.222 -0.499) 6.142 2.231 ( 3.639 5.671 -2.276) 7.112 2.798 ( 4.269 0.441 0.836) 4.373 3.166 ( 4.726 0.038 5.187) 7.017 3.778 ( 2.400 2.417 -0.792) 3.497 3.805 ( -0.307 0.758 1.478) 1.689 4.140 ( -1.129 -1.896 -2.020) 2.992 4.391 ( -13.292 -3.336 2.489) 13.929 4.537 ( 1.237 0.317 -2.183) 2.529 5.105 ( -0.809 -4.670 -3.480) 5.880 ======================= Grid point 451 (159/288) ======================= q-point: ( 0.57 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 7.235 6.368 -2.343) 9.919 1.754 ( 4.421 12.983 -5.172) 14.658 2.233 ( 0.016 2.240 3.226) 3.928 2.374 ( 5.729 4.667 -1.182) 7.483 2.779 ( -3.837 -3.587 -1.793) 5.550 3.218 ( 0.712 -1.488 5.593) 5.832 3.807 ( -0.745 1.533 0.648) 1.823 3.843 ( 2.284 1.522 -0.046) 2.745 4.091 ( -1.555 -1.397 -1.152) 2.387 4.200 ( -7.798 0.748 0.469) 7.848 4.613 ( 6.317 2.709 -0.930) 6.936 5.024 ( -2.058 -5.909 -1.378) 6.407 ======================= Grid point 452 (160/288) ======================= q-point: ( 0.64 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 5.662 3.331 -4.249) 7.823 1.918 ( 2.790 11.365 -5.773) 13.049 2.234 ( -3.027 0.270 4.859) 5.731 2.474 ( 1.665 2.348 -0.678) 2.957 2.629 ( -6.648 -3.618 -4.717) 8.918 3.227 ( -0.471 -0.184 8.196) 8.212 3.805 ( -0.734 0.189 0.428) 0.870 3.884 ( 0.879 1.163 -0.472) 1.533 4.062 ( -2.303 2.654 -0.920) 3.632 4.135 ( -1.243 0.473 1.110) 1.732 4.776 ( 9.150 2.506 -0.014) 9.487 4.906 ( -4.195 -6.095 -1.050) 7.473 ======================= Grid point 453 (161/288) ======================= q-point: (-0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 3.215 -0.257 -4.333) 5.402 2.031 ( 0.241 8.388 -2.993) 8.909 2.158 ( -6.623 -2.129 5.002) 8.568 2.476 ( -2.392 3.378 -4.652) 6.227 2.501 ( -2.930 -3.085 -2.948) 5.177 3.241 ( -2.141 0.794 7.864) 8.189 3.788 ( -0.566 -1.403 -0.083) 1.515 3.891 ( -0.803 0.460 -0.266) 0.963 4.055 ( -2.653 5.533 -1.478) 6.311 4.159 ( 2.343 0.458 1.995) 3.111 4.759 ( -4.928 -5.407 -0.611) 7.342 4.965 ( 9.981 1.235 0.533) 10.071 ======================= Grid point 454 (162/288) ======================= q-point: (-0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -0.661 -5.953 0.711) 6.032 1.997 ( -9.409 -3.222 2.993) 10.386 2.066 ( -4.805 6.129 1.136) 7.871 2.417 ( -2.114 -2.420 -2.324) 3.966 2.506 ( 2.784 5.890 -7.725) 10.105 3.163 ( -9.801 -2.284 4.040) 10.845 3.761 ( -0.191 -2.373 -0.213) 2.391 3.869 ( -1.872 0.162 0.366) 1.914 4.089 ( 0.713 6.706 -1.249) 6.858 4.211 ( 1.618 1.439 0.659) 2.263 4.647 ( -2.758 -2.987 -0.063) 4.066 5.146 ( 10.273 -0.223 1.508) 10.386 ======================= Grid point 455 (163/288) ======================= q-point: (-0.14 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -10.546 -11.866 8.793) 18.148 1.809 ( -10.414 -3.022 0.574) 10.859 2.027 ( -5.289 5.727 -2.335) 8.138 2.368 ( -1.110 -2.252 -0.068) 2.511 2.631 ( 6.908 6.172 -8.115) 12.315 2.872 ( -19.770 -6.031 1.927) 20.759 3.731 ( -0.716 -2.210 -0.449) 2.366 3.842 ( -1.680 0.414 1.006) 2.002 4.189 ( 2.848 1.128 -0.488) 3.102 4.258 ( 2.391 7.388 -1.721) 7.954 4.612 ( 0.612 -0.794 0.356) 1.063 5.319 ( 9.983 -1.061 1.627) 10.171 ======================= Grid point 461 (164/288) ======================= q-point: ( 0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 0.000 19.874 4.543) 20.386 1.072 ( 0.000 14.839 10.671) 18.277 1.579 ( 0.000 23.142 13.401) 26.742 1.866 ( -0.000 -1.316 -6.698) 6.826 2.142 ( -0.000 5.685 -4.941) 7.532 2.991 ( -0.000 -4.141 -4.029) 5.778 3.619 ( -0.000 1.060 -0.865) 1.368 3.860 ( 0.000 -0.644 1.287) 1.439 3.981 ( -0.000 6.101 0.225) 6.105 4.499 ( -0.000 1.939 -9.663) 9.856 4.962 ( 0.000 -7.043 5.137) 8.717 5.590 ( -0.000 -4.230 -6.322) 7.606 ======================= Grid point 462 (165/288) ======================= q-point: ( 0.36 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -0.167 18.338 0.053) 18.338 1.222 ( -2.900 16.416 12.264) 20.696 1.772 ( 1.529 8.485 -7.076) 11.154 2.032 ( 11.911 10.450 -0.254) 15.847 2.198 ( 2.866 6.536 2.017) 7.416 2.958 ( 1.158 -2.586 -0.986) 3.000 3.647 ( 1.709 1.382 -0.311) 2.220 3.838 ( -1.478 0.159 0.354) 1.528 4.077 ( 3.466 3.714 0.577) 5.113 4.503 ( 2.538 -1.892 -4.957) 5.882 4.878 ( -1.435 -10.686 5.124) 11.937 5.460 ( -7.945 -2.656 -8.027) 11.602 ======================= Grid point 463 (166/288) ======================= q-point: ( 0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -1.111 13.475 2.036) 13.673 1.400 ( 0.591 18.632 5.769) 19.513 1.900 ( 7.524 6.752 -6.890) 12.234 2.167 ( 2.214 4.456 -8.435) 9.794 2.484 ( 11.811 9.880 7.178) 16.990 2.982 ( 3.822 -0.998 3.005) 4.963 3.696 ( 2.119 1.740 0.630) 2.813 3.827 ( -0.659 1.167 -0.252) 1.364 4.139 ( 1.226 0.498 -0.817) 1.555 4.511 ( 2.102 -2.787 -1.851) 3.951 4.740 ( -3.918 -10.753 4.743) 12.389 5.252 ( -9.594 -2.283 -8.132) 12.783 ======================= Grid point 464 (167/288) ======================= q-point: ( 0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 1.243 11.664 2.314) 11.957 1.619 ( 2.441 17.322 1.792) 17.585 2.092 ( 7.884 6.725 -2.864) 10.751 2.231 ( 2.641 4.820 -4.785) 7.287 2.706 ( 6.587 0.776 0.335) 6.641 3.089 ( 5.842 1.426 4.772) 7.677 3.756 ( 2.377 1.915 1.420) 3.366 3.835 ( -0.450 2.198 -0.044) 2.244 4.129 ( -0.767 -1.897 -1.870) 2.772 4.508 ( 0.712 -1.542 -0.429) 1.752 4.566 ( -8.104 -4.884 1.392) 9.564 5.073 ( -4.398 -4.929 -4.663) 8.085 ======================= Grid point 465 (168/288) ======================= q-point: ( 0.57 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 2.519 10.460 2.275) 10.997 1.821 ( 2.412 14.721 -1.379) 14.981 2.248 ( 3.329 4.543 0.779) 5.686 2.332 ( 4.388 5.728 -1.813) 7.440 2.759 ( 1.829 -3.126 -2.224) 4.250 3.181 ( 2.872 -0.759 2.516) 3.893 3.819 ( 2.266 1.394 1.661) 3.136 3.848 ( -1.019 2.642 0.251) 2.843 4.083 ( -0.751 -2.435 -1.506) 2.960 4.379 ( -10.087 1.115 0.038) 10.148 4.547 ( 3.586 1.576 -1.101) 4.069 4.968 ( -0.500 -7.603 -1.230) 7.718 ======================= Grid point 466 (169/288) ======================= q-point: ( 0.64 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 1.499 8.191 0.695) 8.356 1.981 ( 1.860 11.939 -3.328) 12.533 2.298 ( -1.638 1.624 3.845) 4.484 2.450 ( 3.681 3.182 -0.831) 4.936 2.697 ( -4.900 -0.845 -5.636) 7.516 3.222 ( 2.816 -0.892 4.284) 5.203 3.830 ( -1.759 -0.065 0.837) 1.949 3.877 ( 1.261 1.824 -0.051) 2.218 4.070 ( 1.453 -0.486 0.033) 1.533 4.253 ( -7.930 4.502 -0.604) 9.139 4.654 ( 6.906 1.372 -0.191) 7.043 4.879 ( -1.028 -7.797 -0.479) 7.879 ======================= Grid point 467 (170/288) ======================= q-point: (-0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -0.465 4.538 -1.352) 4.758 2.097 ( 0.780 8.581 -2.695) 9.028 2.254 ( -4.670 -1.467 4.653) 6.754 2.489 ( 0.005 -2.407 -1.006) 2.609 2.590 ( -6.696 6.286 -6.827) 11.444 3.285 ( 1.614 1.300 6.098) 6.440 3.791 ( -1.741 -1.476 -0.148) 2.287 3.903 ( 0.192 0.924 -0.144) 0.955 4.118 ( 3.276 0.161 1.500) 3.606 4.189 ( -5.615 6.927 -0.944) 8.967 4.752 ( 0.373 -6.062 0.119) 6.074 4.813 ( 5.778 -1.445 -0.554) 5.982 ======================= Grid point 468 (171/288) ======================= q-point: (-0.21 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -2.355 -0.483 -0.979) 2.596 2.117 ( -5.762 -1.319 2.156) 6.292 2.192 ( -2.765 4.944 2.488) 6.187 2.421 ( -2.468 -3.127 -2.472) 4.688 2.560 ( -3.552 8.172 -6.391) 10.965 3.297 ( -4.541 0.657 4.441) 6.385 3.747 ( -1.075 -2.123 0.018) 2.380 3.902 ( -1.158 0.654 0.076) 1.332 4.137 ( -0.099 -0.376 0.250) 0.462 4.231 ( 0.085 8.868 -0.460) 8.881 4.658 ( -2.652 -4.192 -0.244) 4.967 4.947 ( 10.557 -3.323 0.359) 11.074 ======================= Grid point 469 (172/288) ======================= q-point: (-0.14 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -6.159 -6.262 3.119) 9.320 1.957 ( -10.049 -1.671 -0.005) 10.187 2.189 ( -5.751 4.977 1.657) 7.784 2.356 ( -0.805 -2.907 -0.406) 3.044 2.599 ( 1.601 7.585 -6.715) 10.256 3.138 ( -14.359 -2.030 2.196) 14.667 3.720 ( -0.358 -1.501 0.970) 1.823 3.882 ( -1.901 0.569 0.435) 2.031 4.150 ( 2.075 -0.378 -0.628) 2.201 4.316 ( 0.071 8.756 -1.076) 8.822 4.599 ( -0.699 -1.817 -0.195) 1.957 5.103 ( 11.924 -4.358 0.268) 12.698 ======================= Grid point 476 (173/288) ======================= q-point: ( 0.36 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -0.000 17.727 0.397) 17.732 1.400 ( -0.000 13.591 2.244) 13.775 1.827 ( -0.000 0.920 -1.760) 1.986 2.034 ( -0.000 15.731 -9.210) 18.229 2.254 ( 0.000 10.214 7.474) 12.656 2.930 ( 0.000 -1.527 2.935) 3.309 3.647 ( -0.000 2.236 -0.654) 2.330 3.854 ( 0.000 -0.555 0.769) 0.948 4.087 ( -0.000 4.204 -0.113) 4.205 4.440 ( -0.000 -3.960 -1.886) 4.386 4.793 ( 0.000 -11.279 3.175) 11.718 5.475 ( -0.000 -3.391 -8.004) 8.693 ======================= Grid point 477 (174/288) ======================= q-point: ( 0.43 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -2.139 11.320 -6.149) 13.059 1.597 ( 2.324 15.436 5.577) 16.577 1.860 ( 2.344 6.069 -1.352) 6.645 2.126 ( 2.858 4.888 -12.927) 14.112 2.471 ( 5.374 12.924 8.608) 16.432 2.950 ( 1.503 0.841 6.505) 6.729 3.685 ( 1.599 2.511 0.152) 2.980 3.845 ( -0.482 0.360 -0.028) 0.602 4.130 ( 0.784 1.758 -0.987) 2.163 4.417 ( 3.157 -5.852 0.939) 6.716 4.684 ( -1.249 -9.352 1.254) 9.518 5.354 ( -6.942 -3.560 -7.480) 10.808 ======================= Grid point 478 (175/288) ======================= q-point: ( 0.50 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 1.411 9.109 -4.172) 10.118 1.802 ( -0.102 16.895 8.897) 19.095 2.008 ( 8.456 5.728 -5.063) 11.399 2.195 ( 3.832 5.141 -8.133) 10.356 2.632 ( 2.897 1.301 3.003) 4.371 3.052 ( 3.820 5.267 6.229) 9.007 3.745 ( 2.042 2.445 1.661) 3.592 3.853 ( 0.404 1.500 -0.556) 1.650 4.125 ( -1.173 -0.914 -1.805) 2.338 4.434 ( 4.635 -5.534 1.668) 7.409 4.587 ( -1.891 -4.842 -0.165) 5.201 5.148 ( -9.624 -4.073 -5.639) 11.874 ======================= Grid point 479 (176/288) ======================= q-point: ( 0.57 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 3.624 9.661 0.207) 10.320 1.958 ( -1.309 13.124 5.139) 14.155 2.208 ( 8.163 6.392 -2.306) 10.621 2.309 ( 4.528 6.242 -3.840) 8.615 2.660 ( 3.290 -4.507 0.464) 5.600 3.157 ( 1.233 2.993 1.132) 3.429 3.806 ( 1.763 1.667 2.418) 3.426 3.879 ( 0.501 2.107 -0.222) 2.177 4.076 ( -1.820 -1.962 -1.697) 3.169 4.462 ( 2.412 -3.539 1.457) 4.523 4.532 ( -1.613 1.638 -1.806) 2.923 4.942 ( -6.502 -5.963 -2.418) 9.148 ======================= Grid point 480 (177/288) ======================= q-point: ( 0.64 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 1.700 9.453 2.403) 9.901 2.064 ( 0.295 9.102 0.542) 9.122 2.341 ( 0.594 3.262 2.377) 4.080 2.418 ( 2.963 2.633 -0.623) 4.012 2.702 ( 4.172 1.760 -4.472) 6.364 3.174 ( 0.881 -0.394 -0.233) 0.993 3.842 ( 0.587 -0.189 1.392) 1.523 3.897 ( -0.918 1.979 0.239) 2.195 4.038 ( 0.379 -1.362 -0.568) 1.523 4.424 ( -5.690 3.234 -0.632) 6.575 4.573 ( 3.839 1.127 -0.455) 4.027 4.808 ( -1.135 -7.455 -0.150) 7.543 ======================= Grid point 481 (178/288) ======================= q-point: ( 0.71 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( -2.385 7.039 1.991) 7.694 2.153 ( 0.946 6.558 -0.993) 6.700 2.315 ( -3.562 -2.342 3.204) 5.333 2.452 ( 1.088 -2.242 -0.687) 2.585 2.760 ( -4.163 11.085 -6.477) 13.497 3.232 ( 6.049 -0.465 2.391) 6.521 3.819 ( -2.520 -0.879 0.004) 2.668 3.904 ( 0.314 0.375 0.672) 0.832 4.059 ( 2.935 -1.215 0.756) 3.265 4.362 ( -6.333 6.714 -0.949) 9.278 4.645 ( 4.639 -2.766 0.199) 5.404 4.743 ( 0.659 -4.836 -0.145) 4.883 ======================= Grid point 482 (179/288) ======================= q-point: (-0.21 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -5.544 2.414 1.168) 6.159 2.190 ( -2.858 0.934 0.371) 3.030 2.259 ( -0.826 1.073 2.477) 2.823 2.418 ( -1.272 -3.050 -0.769) 3.393 2.742 ( -7.969 10.891 -5.556) 14.593 3.330 ( 2.874 0.163 1.658) 3.322 3.763 ( -2.557 -0.938 0.476) 2.765 3.914 ( 0.380 -0.078 0.438) 0.585 4.093 ( 2.477 -2.638 0.563) 3.662 4.356 ( -3.095 9.245 -0.896) 9.790 4.644 ( -0.075 -4.076 0.121) 4.078 4.759 ( 6.075 -4.053 -0.095) 7.304 ======================= Grid point 483 (180/288) ======================= q-point: (-0.14 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -6.984 -1.834 1.832) 7.449 2.096 ( -7.308 -0.976 0.387) 7.383 2.295 ( 0.196 2.698 3.838) 4.695 2.351 ( -3.202 -2.264 -0.910) 4.026 2.695 ( -5.626 8.097 -5.009) 11.059 3.300 ( -5.823 -1.901 -0.758) 6.172 3.730 ( -1.263 0.067 2.251) 2.582 3.912 ( -0.900 0.005 0.167) 0.915 4.102 ( 1.947 -1.960 -0.780) 2.871 4.408 ( -1.319 7.488 -0.828) 7.648 4.600 ( -1.397 -1.629 -0.143) 2.151 4.856 ( 10.631 -4.779 -0.242) 11.658 ======================= Grid point 491 (181/288) ======================= q-point: ( 0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -0.000 6.446 -8.096) 10.349 1.639 ( -0.000 9.377 -8.177) 12.441 1.930 ( 0.000 7.721 7.059) 10.461 2.127 ( -0.000 6.974 -9.140) 11.496 2.580 ( 0.000 9.786 7.847) 12.543 2.988 ( 0.000 5.209 8.972) 10.375 3.698 ( -0.000 3.139 -0.233) 3.148 3.848 ( 0.000 -0.240 0.049) 0.245 4.139 ( -0.000 1.711 -1.572) 2.323 4.318 ( 0.000 -8.868 3.355) 9.482 4.622 ( -0.000 -5.245 -1.347) 5.416 5.350 ( -0.000 -4.829 -6.877) 8.404 ======================= Grid point 492 (182/288) ======================= q-point: ( 0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -0.174 5.489 -6.919) 8.834 1.802 ( 11.408 4.544 -10.091) 15.894 2.025 ( -1.271 9.481 6.892) 11.790 2.199 ( 1.516 8.524 -3.850) 9.475 2.643 ( -0.796 -0.539 6.225) 6.299 3.105 ( 1.138 9.853 6.822) 12.037 3.744 ( 1.553 3.108 0.668) 3.538 3.851 ( 0.534 0.296 -0.363) 0.710 4.135 ( -1.048 -0.281 -1.975) 2.254 4.280 ( 4.601 -8.422 3.324) 10.156 4.578 ( -0.876 -0.891 -1.955) 2.320 5.226 ( -6.011 -5.422 -5.557) 9.819 ======================= Grid point 493 (183/288) ======================= q-point: ( 0.57 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 5.204 6.754 -1.972) 8.751 2.007 ( 11.025 -0.138 -8.684) 14.035 2.148 ( 2.432 13.109 6.197) 14.703 2.306 ( 2.384 7.341 -1.685) 7.900 2.606 ( -1.174 -5.367 5.322) 7.649 3.210 ( -1.040 7.176 1.016) 7.322 3.805 ( 1.480 2.236 2.163) 3.445 3.870 ( 1.489 0.468 -0.640) 1.686 4.095 ( -2.048 -0.574 -1.799) 2.786 4.320 ( 7.115 -6.203 1.693) 9.590 4.567 ( -0.885 2.663 -1.339) 3.109 5.026 ( -8.882 -5.458 -3.410) 10.969 ======================= Grid point 494 (184/288) ======================= q-point: ( 0.64 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 6.172 7.234 0.827) 9.545 2.113 ( 3.297 2.611 -1.672) 4.525 2.360 ( 3.597 7.292 2.386) 8.474 2.397 ( 2.080 2.224 -0.953) 3.191 2.589 ( 6.184 -1.335 2.399) 6.766 3.214 ( -3.735 3.540 -2.692) 5.808 3.835 ( 0.302 -0.281 1.858) 1.903 3.906 ( 1.711 0.775 -0.314) 1.905 4.051 ( -2.527 0.628 -1.313) 2.916 4.399 ( 6.989 -3.400 0.720) 7.805 4.582 ( -1.200 3.741 -0.808) 4.011 4.822 ( -7.362 -4.921 -1.053) 8.917 ======================= Grid point 495 (185/288) ======================= q-point: ( 0.71 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 2.220 5.614 1.358) 6.188 2.182 ( 1.662 3.734 -0.248) 4.094 2.351 ( -3.260 -4.262 1.396) 5.544 2.419 ( 0.323 -0.305 0.019) 0.445 2.825 ( 10.381 10.032 -0.986) 14.470 3.169 ( -2.040 0.715 -1.636) 2.711 3.834 ( 0.043 -0.999 0.548) 1.140 3.917 ( -1.173 -0.256 0.144) 1.209 4.024 ( -0.329 0.068 -0.188) 0.385 4.475 ( 2.025 1.298 -0.037) 2.406 4.574 ( -1.097 -0.252 -0.473) 1.221 4.705 ( -1.628 -2.767 0.218) 3.218 ======================= Grid point 496 (186/288) ======================= q-point: (-0.21 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -4.422 1.385 1.474) 4.863 2.234 ( -0.223 2.001 0.190) 2.022 2.269 ( -1.036 -2.151 0.385) 2.419 2.405 ( -0.286 -1.594 0.149) 1.626 2.977 ( -6.770 11.787 -2.904) 13.900 3.212 ( 8.856 -2.824 0.237) 9.299 3.813 ( -2.773 0.716 -0.187) 2.870 3.889 ( 0.811 -2.585 1.308) 3.009 4.034 ( 1.598 -1.025 -0.124) 1.903 4.485 ( -3.107 5.695 -0.762) 6.532 4.580 ( 2.800 -2.802 0.289) 3.972 4.676 ( 0.625 -2.643 0.145) 2.720 ======================= Grid point 497 (187/288) ======================= q-point: (-0.14 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -7.210 -1.466 1.871) 7.591 2.190 ( -4.283 -0.119 -0.067) 4.285 2.279 ( 1.395 -1.704 1.476) 2.651 2.395 ( -0.904 1.482 0.853) 1.934 2.893 ( -9.968 5.336 -1.655) 11.427 3.290 ( 2.555 -3.403 -3.355) 5.419 3.776 ( -2.308 1.249 2.066) 3.340 3.902 ( 1.622 -1.182 0.443) 2.055 4.050 ( 1.698 -0.887 -0.930) 2.129 4.486 ( -2.217 1.503 -0.426) 2.712 4.596 ( 1.205 -0.653 -0.274) 1.398 4.692 ( 4.303 -0.402 0.219) 4.327 ======================= Grid point 506 (188/288) ======================= q-point: ( 0.50 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -0.000 3.450 -5.959) 6.886 1.660 ( -0.000 1.257 -11.440) 11.509 2.139 ( 0.000 8.244 4.957) 9.619 2.271 ( -0.000 9.215 -0.967) 9.266 2.647 ( 0.000 -5.108 7.262) 8.879 3.228 ( 0.000 11.440 4.996) 12.483 3.762 ( -0.000 3.159 0.222) 3.167 3.845 ( -0.000 0.024 -0.522) 0.523 4.122 ( 0.000 -4.729 0.032) 4.729 4.182 ( 0.000 -3.315 1.083) 3.488 4.588 ( -0.000 2.564 -1.851) 3.162 5.201 ( -0.000 -6.771 -4.784) 8.291 ======================= Grid point 507 (189/288) ======================= q-point: ( 0.57 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 3.218 4.221 -2.763) 5.984 1.767 ( 10.919 0.245 -7.931) 13.498 2.237 ( 1.535 7.316 3.346) 8.190 2.356 ( 0.263 7.193 0.043) 7.198 2.592 ( -1.426 -6.935 6.525) 9.628 3.322 ( -1.996 8.221 0.670) 8.486 3.808 ( 1.616 2.679 0.899) 3.255 3.849 ( 0.583 -0.301 -0.516) 0.835 4.089 ( 1.733 -3.649 0.186) 4.044 4.181 ( 2.171 -2.025 -0.140) 2.972 4.617 ( -0.783 5.445 -0.874) 5.570 5.075 ( -4.850 -7.169 -3.308) 9.266 ======================= Grid point 508 (190/288) ======================= q-point: ( 0.64 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 7.434 4.296 -0.276) 8.590 1.962 ( 12.520 1.003 -3.773) 13.114 2.360 ( 4.131 4.343 0.021) 5.994 2.414 ( 0.088 4.370 1.875) 4.756 2.524 ( -0.132 -5.276 5.391) 7.545 3.325 ( -4.376 5.006 -2.697) 7.175 3.837 ( -0.485 -1.032 1.120) 1.599 3.873 ( 2.527 1.072 -0.327) 2.765 4.097 ( -0.648 1.823 -1.475) 2.433 4.227 ( 7.157 -3.957 0.797) 8.217 4.654 ( -1.881 6.145 -0.050) 6.427 4.895 ( -6.882 -6.233 -1.555) 9.414 ======================= Grid point 509 (191/288) ======================= q-point: ( 0.71 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 7.283 1.528 -0.865) 7.492 2.146 ( 6.561 2.845 -0.471) 7.167 2.352 ( -2.167 -4.335 -0.348) 4.859 2.442 ( -1.837 0.558 0.284) 1.941 2.656 ( 14.025 2.775 4.283) 14.924 3.276 ( -5.425 4.432 -2.389) 7.401 3.817 ( 0.053 -2.021 0.345) 2.051 3.914 ( 1.175 0.366 -0.399) 1.294 4.075 ( -3.520 1.952 -0.919) 4.128 4.345 ( 9.170 -2.073 0.758) 9.432 4.650 ( -4.475 2.775 -0.287) 5.274 4.742 ( -4.498 -2.507 -0.087) 5.150 ======================= Grid point 510 (192/288) ======================= q-point: (-0.21 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 2.677 -2.660 -1.165) 3.949 2.236 ( 1.993 0.941 -0.238) 2.217 2.271 ( -2.039 -1.827 -0.122) 2.740 2.407 ( -1.253 -0.793 -0.352) 1.524 2.953 ( 15.462 0.331 2.276) 15.632 3.213 ( -7.186 4.678 0.039) 8.575 3.813 ( 1.726 -1.463 -0.055) 2.263 3.900 ( -2.820 -0.487 -1.029) 3.041 4.032 ( -1.839 0.614 0.220) 1.952 4.479 ( 6.671 0.126 0.638) 6.703 4.583 ( -3.841 0.852 -0.321) 3.948 4.677 ( -2.500 -0.650 -0.052) 2.584 ======================= Grid point 511 (193/288) ======================= q-point: (-0.14 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -2.649 -4.587 -0.000) 5.297 2.233 ( -0.755 -1.308 -0.000) 1.511 2.251 ( -0.651 -1.128 -0.000) 1.302 2.410 ( 1.097 1.899 -0.000) 2.193 3.060 ( -3.740 -6.478 -0.000) 7.480 3.189 ( 2.204 3.818 -0.000) 4.409 3.829 ( -1.233 -2.136 -0.000) 2.466 3.855 ( 1.252 2.168 -0.000) 2.504 4.030 ( 0.421 0.728 -0.000) 0.841 4.503 ( -2.932 -5.078 0.000) 5.864 4.577 ( 1.974 3.420 -0.000) 3.949 4.669 ( 1.338 2.318 -0.000) 2.676 ======================= Grid point 522 (194/288) ======================= q-point: ( 0.57 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -0.000 2.039 -3.309) 3.886 1.664 ( -0.000 3.072 -1.082) 3.257 2.280 ( -0.000 3.814 0.825) 3.902 2.418 ( -0.000 4.699 0.643) 4.743 2.552 ( 0.000 -6.768 5.322) 8.610 3.410 ( -0.000 5.410 -1.768) 5.691 3.815 ( -0.000 1.677 -0.185) 1.687 3.845 ( -0.000 0.494 0.009) 0.494 4.017 ( 0.000 -4.699 1.803) 5.033 4.171 ( -0.000 0.892 -1.659) 1.884 4.692 ( -0.000 8.187 0.053) 8.187 5.029 ( -0.000 -8.343 -2.458) 8.697 ======================= Grid point 523 (195/288) ======================= q-point: ( 0.64 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 4.566 2.332 -0.371) 5.140 1.785 ( 9.594 4.284 2.305) 10.756 2.325 ( 2.466 0.758 -1.415) 2.943 2.442 ( 0.187 -0.868 2.668) 2.812 2.506 ( -1.030 -2.550 2.367) 3.628 3.415 ( -2.409 2.406 -4.196) 5.403 3.827 ( 0.154 -0.986 -1.268) 1.614 3.859 ( 0.826 1.305 1.475) 2.136 4.035 ( 5.445 -1.735 1.053) 5.811 4.171 ( -0.596 0.803 -1.385) 1.708 4.765 ( -1.922 9.081 0.753) 9.313 4.909 ( -3.484 -8.084 -1.266) 8.894 ======================= Grid point 524 (196/288) ======================= q-point: (-0.29 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 6.856 -0.120 -0.632) 6.886 2.036 ( 10.594 5.445 3.577) 12.437 2.331 ( -0.038 -3.567 -3.452) 4.964 2.462 ( 0.852 -4.099 2.228) 4.743 2.496 ( 4.787 1.098 2.838) 5.672 3.374 ( -2.790 1.657 -3.408) 4.706 3.799 ( -0.629 -2.117 -0.938) 2.399 3.895 ( 1.500 0.631 0.679) 1.764 4.143 ( -0.890 3.140 -1.157) 3.463 4.171 ( 7.956 -1.935 0.934) 8.241 4.759 ( -5.315 -4.217 -0.622) 6.813 4.799 ( -3.868 5.441 0.967) 6.745 ======================= Grid point 525 (197/288) ======================= q-point: (-0.21 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 5.741 -3.668 -1.540) 6.985 2.190 ( 2.812 -0.951 0.299) 2.983 2.284 ( 0.017 -0.045 -2.849) 2.850 2.414 ( -1.369 -2.774 0.017) 3.094 2.694 ( 14.331 -1.374 4.980) 15.234 3.337 ( -2.984 1.466 0.004) 3.325 3.772 ( 0.520 -1.971 -1.411) 2.479 3.917 ( 0.260 0.139 -0.237) 0.378 4.096 ( -3.928 0.289 -0.070) 3.939 4.348 ( 9.548 1.994 0.791) 9.785 4.646 ( -3.430 -2.251 -0.265) 4.111 4.757 ( -6.327 3.353 0.371) 7.170 ======================= Grid point 537 (198/288) ======================= q-point: (-0.36 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 0.000 6.330 5.658) 8.490 1.730 ( 0.000 2.894 3.282) 4.376 2.289 ( -0.000 -2.422 -2.877) 3.761 2.418 ( 0.000 -3.932 2.126) 4.470 2.509 ( 0.000 -0.741 0.661) 0.993 3.422 ( -0.000 -1.180 -6.529) 6.635 3.818 ( -0.000 -0.363 -1.044) 1.105 3.865 ( 0.000 0.544 1.068) 1.199 3.971 ( 0.000 -1.179 1.540) 1.940 4.185 ( -0.000 1.381 -1.373) 1.947 4.844 ( 0.000 -6.614 0.312) 6.621 4.894 ( -0.000 8.700 0.368) 8.707 ======================= Grid point 538 (199/288) ======================= q-point: (-0.29 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 0.862 2.024 3.660) 4.270 1.935 ( 9.932 7.034 6.989) 14.035 2.252 ( 1.525 -6.055 -4.877) 7.923 2.393 ( 1.048 -3.325 2.315) 4.185 2.490 ( -0.560 -1.602 0.155) 1.704 3.374 ( -0.104 -3.252 -6.115) 6.926 3.795 ( -1.283 -1.370 -1.013) 2.133 3.879 ( 1.026 -0.018 1.021) 1.447 4.031 ( 6.490 0.646 1.006) 6.599 4.187 ( -0.952 1.490 -0.912) 1.990 4.751 ( -1.974 -7.104 0.228) 7.377 4.963 ( -3.996 9.882 0.842) 10.692 ======================= Grid point 539 (200/288) ======================= q-point: (-0.21 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 2.560 -1.707 1.441) 3.397 2.131 ( 2.489 -2.109 -0.224) 3.270 2.219 ( 5.672 -2.183 -3.835) 7.186 2.396 ( 0.258 -3.354 2.760) 4.351 2.513 ( 6.568 0.018 3.884) 7.630 3.331 ( 1.237 -4.650 -2.963) 5.651 3.754 ( -1.060 -1.654 -1.414) 2.420 3.901 ( 1.321 -0.462 0.377) 1.450 4.136 ( 0.424 -0.688 0.423) 0.912 4.227 ( 6.764 4.258 0.362) 8.001 4.656 ( -2.161 -4.416 0.195) 4.920 4.947 ( -8.188 7.687 0.440) 11.240 ======================= Grid point 552 (201/288) ======================= q-point: (-0.29 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 0.000 2.552 6.245) 6.747 1.914 ( 0.000 6.458 7.304) 9.750 2.151 ( -0.000 -8.761 -5.698) 10.451 2.364 ( 0.000 -2.169 1.856) 2.854 2.475 ( 0.000 -1.944 -0.380) 1.981 3.296 ( -0.000 -7.719 -6.687) 10.212 3.797 ( -0.000 -1.208 -0.536) 1.322 3.868 ( 0.000 -0.762 0.599) 0.969 3.987 ( 0.000 2.350 0.752) 2.467 4.206 ( -0.000 1.225 -0.475) 1.314 4.703 ( 0.000 -5.961 0.553) 5.986 5.103 ( -0.000 10.252 0.486) 10.263 ======================= Grid point 553 (202/288) ======================= q-point: (-0.21 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -3.226 -0.082 4.053) 5.181 2.037 ( 0.881 -11.766 -5.651) 13.082 2.069 ( 8.493 0.767 1.490) 8.657 2.375 ( 0.863 -0.495 5.425) 5.516 2.471 ( 1.331 1.718 0.854) 2.335 3.203 ( 2.483 -11.265 -4.611) 12.423 3.763 ( -1.831 -1.460 -0.538) 2.403 3.870 ( 1.170 -1.145 0.067) 1.638 4.080 ( 5.509 4.182 0.752) 6.957 4.214 ( 0.200 1.317 0.113) 1.337 4.645 ( -1.186 -3.664 0.391) 3.871 5.154 ( -5.463 9.147 -0.104) 10.655 ======================= Grid point 567 (203/288) ======================= q-point: (-0.21 -0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -0.000 -13.870 -7.788) 15.907 1.902 ( 0.000 1.928 7.765) 8.001 1.915 ( -0.000 -8.493 -4.491) 9.608 2.387 ( 0.000 -0.555 4.614) 4.647 2.505 ( 0.000 7.200 4.245) 8.359 3.025 ( 0.000 -16.809 -3.446) 17.159 3.766 ( 0.000 -1.910 0.392) 1.950 3.846 ( -0.000 -1.368 -0.474) 1.448 4.089 ( -0.000 7.945 0.574) 7.966 4.220 ( 0.000 -0.001 0.513) 0.513 4.629 ( 0.000 -1.743 0.054) 1.744 5.291 ( -0.000 8.923 -1.032) 8.982 ======================= Grid point 644 (204/288) ======================= q-point: ( 0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 0.000 -0.000 18.982) 18.982 0.558 ( 0.000 -0.000 18.982) 18.982 0.936 ( 0.000 -0.000 32.684) 32.684 1.960 ( -0.000 0.000 -6.106) 6.106 1.960 ( -0.000 0.000 -6.106) 6.106 3.470 ( -0.000 0.000 -18.059) 18.059 3.614 ( -0.000 0.000 -0.704) 0.704 3.614 ( -0.000 0.000 -0.704) 0.704 3.865 ( 0.000 -0.000 1.393) 1.393 3.865 ( 0.000 -0.000 1.393) 1.393 4.977 ( 0.000 -0.000 7.844) 7.844 5.823 ( -0.000 0.000 -1.194) 1.194 ======================= Grid point 645 (205/288) ======================= q-point: ( 0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( 3.050 1.761 16.021) 16.404 0.734 ( 4.091 2.362 20.562) 21.097 1.245 ( 16.703 9.644 18.357) 26.627 1.947 ( 2.790 1.611 -5.303) 6.205 1.992 ( 2.359 1.362 -5.301) 5.959 3.104 ( -7.042 -4.066 -7.166) 10.839 3.624 ( 0.732 0.422 -0.856) 1.203 3.854 ( -0.941 -0.543 1.479) 1.835 3.917 ( 6.076 3.508 1.179) 7.114 4.274 ( 23.411 13.517 -21.670) 34.646 5.013 ( 1.000 0.577 5.803) 5.917 5.685 ( -10.571 -6.103 -0.764) 12.230 ======================= Grid point 646 (206/288) ======================= q-point: ( 0.36 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 9.265 5.349 9.705) 14.445 0.894 ( 5.349 3.088 15.545) 16.727 1.641 ( 14.150 8.170 -4.433) 16.930 2.035 ( 2.661 1.536 -4.188) 5.194 2.103 ( 11.750 6.784 6.740) 15.149 3.018 ( 0.187 0.108 -6.701) 6.704 3.644 ( 1.310 0.757 -1.222) 1.945 3.834 ( -1.142 -0.659 1.641) 2.105 4.061 ( 5.425 3.132 1.677) 6.484 4.532 ( 6.079 3.510 -11.009) 13.057 5.030 ( -1.941 -1.120 5.087) 5.559 5.399 ( -12.452 -7.189 -5.538) 15.408 ======================= Grid point 647 (207/288) ======================= q-point: ( 0.43 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 11.680 6.744 4.683) 14.277 1.072 ( 7.363 4.251 6.616) 10.773 1.878 ( 10.273 5.931 -10.154) 15.615 2.087 ( 2.843 1.641 -2.697) 4.249 2.462 ( 14.974 8.645 9.542) 19.749 3.049 ( 3.575 2.064 -2.711) 4.939 3.679 ( 2.148 1.240 -1.527) 2.913 3.815 ( -0.880 -0.508 1.717) 1.995 4.149 ( 2.018 1.165 -0.348) 2.356 4.563 ( -0.369 -0.213 -3.689) 3.714 4.873 ( -14.354 -8.288 7.653) 18.256 5.188 ( -2.655 -1.533 -9.740) 10.212 ======================= Grid point 648 (208/288) ======================= q-point: ( 0.50 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 9.091 5.249 0.528) 10.511 1.308 ( 11.327 6.540 0.998) 13.118 2.080 ( 9.577 5.529 -5.268) 12.249 2.147 ( 2.803 1.618 -0.759) 3.324 2.754 ( 7.930 4.578 3.082) 9.662 3.153 ( 4.995 2.884 2.468) 6.273 3.731 ( 2.692 1.554 -1.558) 3.476 3.807 ( -0.223 -0.129 1.584) 1.604 4.157 ( -0.753 -0.435 -1.877) 2.069 4.522 ( -11.478 -6.627 3.923) 13.822 4.536 ( -4.798 -2.770 -3.154) 6.375 5.144 ( -0.897 -0.518 -3.578) 3.725 ======================= Grid point 649 (209/288) ======================= q-point: ( 0.57 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 9.619 5.554 -2.977) 11.499 1.541 ( 9.144 5.279 -1.937) 10.735 2.206 ( 2.110 1.218 1.502) 2.863 2.275 ( 8.230 4.751 -1.683) 9.651 2.826 ( -1.673 -0.966 -1.059) 2.203 3.247 ( 1.631 0.942 4.684) 5.049 3.780 ( 1.528 0.882 -0.538) 1.845 3.821 ( 1.346 0.777 0.486) 1.628 4.117 ( -2.056 -1.187 -1.359) 2.736 4.242 ( -9.069 -5.236 0.843) 10.506 4.558 ( 3.965 2.289 -1.170) 4.725 5.097 ( -2.928 -1.690 -0.979) 3.520 ======================= Grid point 650 (210/288) ======================= q-point: ( 0.64 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 9.010 5.202 -5.860) 11.940 1.708 ( 6.402 3.696 -4.140) 8.472 2.241 ( 0.028 0.016 3.576) 3.576 2.425 ( 4.705 2.717 -0.419) 5.449 2.700 ( -7.416 -4.282 -4.091) 9.491 3.267 ( -0.869 -0.502 7.851) 7.915 3.798 ( 0.334 0.193 0.616) 0.727 3.860 ( 1.683 0.972 -0.681) 2.060 4.053 ( -2.988 -1.725 -0.824) 3.547 4.137 ( -1.027 -0.593 0.842) 1.455 4.700 ( 8.145 4.703 -0.501) 9.419 4.999 ( -5.468 -3.157 -0.597) 6.342 ======================= Grid point 651 (211/288) ======================= q-point: (-0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 4.158 2.401 -5.474) 7.281 1.850 ( 7.422 4.285 -7.132) 11.150 2.215 ( -3.661 -2.114 4.991) 6.541 2.457 ( -2.032 -1.173 -1.602) 2.841 2.543 ( -3.864 -2.231 -3.523) 5.685 3.270 ( -1.258 -0.726 9.509) 9.619 3.802 ( -0.168 -0.097 0.695) 0.722 3.882 ( 0.364 0.210 -0.729) 0.841 4.002 ( -1.129 -0.652 -1.714) 2.154 4.153 ( 1.458 0.842 2.010) 2.622 4.853 ( -6.763 -3.905 -0.618) 7.834 4.899 ( 9.023 5.210 -0.179) 10.421 ======================= Grid point 652 (212/288) ======================= q-point: (-0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 2.665 1.539 -6.113) 6.844 1.960 ( 2.795 1.614 -2.547) 4.111 2.098 ( -8.119 -4.688 5.793) 11.020 2.403 ( -0.016 -0.009 -6.879) 6.879 2.472 ( -2.392 -1.381 0.428) 2.795 3.234 ( -5.322 -3.072 6.856) 9.207 3.793 ( -0.799 -0.461 0.402) 1.006 3.873 ( -0.929 -0.536 -0.377) 1.137 3.997 ( 1.611 0.930 -1.466) 2.368 4.197 ( 1.657 0.956 1.340) 2.335 4.707 ( -5.251 -3.032 -0.507) 6.084 5.102 ( 8.592 4.960 0.654) 9.942 ======================= Grid point 659 (213/288) ======================= q-point: ( 0.29 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 0.000 10.124 14.585) 17.755 0.848 ( 0.000 11.442 14.282) 18.301 1.268 ( 0.000 13.182 23.391) 26.849 1.877 ( -0.000 -1.920 -7.110) 7.365 2.010 ( -0.000 5.820 -5.454) 7.976 3.083 ( -0.000 -8.946 -7.809) 11.875 3.607 ( -0.000 0.097 -0.644) 0.652 3.864 ( -0.000 5.620 -0.351) 5.631 3.874 ( 0.000 -0.309 1.268) 1.305 4.224 ( -0.000 24.226 -16.855) 29.513 5.031 ( 0.000 0.297 5.945) 5.952 5.710 ( 0.000 -8.433 -1.897) 8.643 ======================= Grid point 660 (214/288) ======================= q-point: ( 0.36 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -0.153 14.922 8.765) 17.307 0.992 ( -1.197 10.827 17.175) 20.338 1.536 ( 7.248 11.938 2.001) 14.109 1.931 ( 9.129 1.442 -1.611) 9.381 2.069 ( 2.275 6.814 -1.299) 7.300 2.987 ( -0.421 -2.282 -7.147) 7.514 3.627 ( 1.526 0.611 -0.612) 1.754 3.843 ( -1.215 -0.618 0.736) 1.549 4.002 ( 5.949 4.047 1.843) 7.427 4.426 ( 6.704 8.733 -12.435) 16.609 5.037 ( -0.248 -2.770 4.920) 5.652 5.526 ( -10.059 -7.310 -4.347) 13.173 ======================= Grid point 661 (215/288) ======================= q-point: ( 0.43 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 3.545 15.291 3.671) 16.120 1.122 ( -1.397 10.928 14.403) 18.133 1.738 ( 9.056 7.206 -10.143) 15.389 2.059 ( 3.195 3.755 -6.072) 7.821 2.324 ( 14.124 9.082 10.120) 19.606 2.987 ( 3.202 0.519 -4.130) 5.252 3.662 ( 1.499 1.727 -0.713) 2.396 3.823 ( -0.532 -0.823 0.838) 1.289 4.118 ( 3.226 1.750 0.516) 3.706 4.526 ( 3.060 0.656 -5.250) 6.112 4.975 ( -4.061 -9.169 7.703) 12.645 5.255 ( -10.986 -2.239 -9.339) 14.592 ======================= Grid point 662 (216/288) ======================= q-point: ( 0.50 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 3.473 9.785 3.091) 10.834 1.293 ( 3.754 15.341 5.812) 16.830 1.949 ( 10.209 6.581 -5.765) 13.445 2.128 ( 2.676 4.007 -4.383) 6.513 2.647 ( 10.934 5.316 4.072) 12.821 3.076 ( 6.284 1.658 0.508) 6.519 3.710 ( 1.910 2.639 -0.812) 3.357 3.814 ( -0.260 -0.119 1.084) 1.121 4.149 ( 0.311 -0.590 -1.374) 1.527 4.528 ( -0.254 -1.206 -2.372) 2.673 4.722 ( -14.678 -9.254 3.806) 17.764 5.125 ( -1.111 -1.766 -4.737) 5.176 ======================= Grid point 663 (217/288) ======================= q-point: ( 0.57 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 4.810 9.027 2.390) 10.504 1.523 ( 4.564 13.877 0.090) 14.609 2.158 ( 7.680 4.657 -1.124) 9.052 2.211 ( 3.822 5.344 -2.368) 6.983 2.798 ( 3.527 -0.697 -0.913) 3.709 3.201 ( 5.236 0.348 2.542) 5.831 3.770 ( 1.873 3.078 -0.865) 3.706 3.819 ( 0.032 0.689 1.450) 1.606 4.123 ( -1.007 -1.806 -1.580) 2.603 4.404 ( -13.891 -3.879 -0.052) 14.422 4.522 ( 1.522 0.474 -0.796) 1.782 5.086 ( 0.031 -4.433 -0.559) 4.468 ======================= Grid point 664 (218/288) ======================= q-point: ( 0.64 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 4.956 7.197 -0.011) 8.738 1.714 ( 3.261 12.503 -3.379) 13.356 2.256 ( 1.146 2.863 1.856) 3.599 2.365 ( 6.192 4.729 -0.849) 7.838 2.752 ( -4.606 -4.411 -4.059) 7.560 3.265 ( 2.432 -1.465 4.669) 5.464 3.811 ( -0.389 2.037 0.327) 2.099 3.844 ( 1.490 1.373 0.131) 2.030 4.084 ( -1.227 -1.256 -0.421) 1.806 4.201 ( -7.589 0.490 -0.341) 7.612 4.607 ( 6.487 2.894 -0.411) 7.115 5.018 ( -2.097 -5.937 0.137) 6.298 ======================= Grid point 665 (219/288) ======================= q-point: ( 0.71 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 3.888 4.160 -2.816) 6.352 1.865 ( 2.193 11.928 -5.670) 13.388 2.274 ( -2.409 0.748 4.001) 4.730 2.468 ( 1.572 2.052 -0.736) 2.688 2.583 ( -6.449 -4.158 -5.232) 9.288 3.301 ( 0.796 -0.624 7.868) 7.933 3.809 ( -0.856 -0.058 0.644) 1.073 3.878 ( 0.781 1.295 -0.731) 1.680 4.054 ( -2.997 2.993 -0.958) 4.342 4.146 ( -0.258 0.316 1.267) 1.331 4.775 ( 9.400 2.796 -0.262) 9.810 4.900 ( -4.484 -6.268 -0.353) 7.715 ======================= Grid point 666 (220/288) ======================= q-point: (-0.21 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 2.733 0.933 -4.515) 5.359 1.993 ( 1.433 10.831 -5.472) 12.219 2.205 ( -6.529 -2.301 5.354) 8.752 2.426 ( -4.188 0.371 -4.875) 6.437 2.492 ( -1.455 -1.577 -0.307) 2.168 3.312 ( -2.658 -0.437 7.540) 8.006 3.789 ( -0.546 -1.765 0.392) 1.889 3.887 ( -0.666 0.708 -0.625) 1.156 4.042 ( -2.768 5.738 -1.344) 6.511 4.176 ( 2.181 0.245 1.577) 2.703 4.754 ( -4.970 -5.293 -0.487) 7.277 4.967 ( 10.419 1.409 -0.155) 10.515 ======================= Grid point 674 (221/288) ======================= q-point: ( 0.36 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 0.000 16.578 7.506) 18.198 1.153 ( 0.000 12.497 6.701) 14.180 1.673 ( 0.000 17.270 5.788) 18.215 1.814 ( -0.000 -0.401 -4.484) 4.502 2.113 ( -0.000 6.969 -0.295) 6.975 2.950 ( -0.000 -1.420 -5.050) 5.246 3.613 ( -0.000 1.018 -0.511) 1.139 3.869 ( 0.000 -0.720 0.875) 1.133 3.989 ( 0.000 5.947 1.520) 6.138 4.419 ( -0.000 5.945 -8.000) 9.967 5.009 ( 0.000 -6.967 5.119) 8.645 5.529 ( -0.000 -6.155 -7.020) 9.336 ======================= Grid point 675 (222/288) ======================= q-point: ( 0.43 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -1.529 15.113 0.754) 15.209 1.326 ( 0.934 13.806 10.078) 17.118 1.709 ( -1.400 8.645 -6.478) 10.893 1.982 ( 7.802 4.985 -8.779) 12.759 2.262 ( 7.351 10.548 10.102) 16.350 2.946 ( 1.212 0.927 -1.742) 2.316 3.645 ( 1.995 1.524 -0.122) 2.513 3.840 ( -1.831 0.019 0.113) 1.834 4.084 ( 3.260 2.941 1.107) 4.528 4.464 ( 2.888 0.803 -3.494) 4.604 4.926 ( -0.856 -11.564 5.541) 12.851 5.381 ( -8.200 -2.981 -9.091) 12.601 ======================= Grid point 676 (223/288) ======================= q-point: ( 0.50 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 1.459 12.012 -2.541) 12.364 1.493 ( -2.106 16.807 11.830) 20.661 1.845 ( 8.117 8.712 -5.313) 13.039 2.084 ( 4.549 3.521 -9.726) 11.300 2.544 ( 9.084 7.486 5.711) 13.083 3.006 ( 4.066 2.318 2.141) 5.146 3.701 ( 2.196 2.328 0.482) 3.237 3.824 ( -0.511 0.840 -0.337) 1.039 4.133 ( 0.702 -0.104 -0.680) 0.983 4.496 ( 1.852 -1.512 -1.328) 2.735 4.786 ( -3.734 -12.701 5.205) 14.225 5.178 ( -8.805 -1.169 -7.933) 11.909 ======================= Grid point 677 (224/288) ======================= q-point: ( 0.57 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 3.340 10.987 -0.149) 11.485 1.666 ( -1.294 17.288 7.829) 19.023 2.069 ( 9.070 7.407 -2.137) 11.904 2.179 ( 4.978 4.835 -6.557) 9.547 2.708 ( 5.203 -0.077 -0.170) 5.207 3.123 ( 5.045 1.785 2.791) 6.035 3.766 ( 2.078 2.868 0.779) 3.626 3.835 ( 0.105 1.842 0.139) 1.850 4.114 ( -0.870 -1.996 -1.385) 2.581 4.498 ( 0.750 -0.377 -1.489) 1.709 4.581 ( -9.577 -6.476 1.566) 11.666 5.041 ( -2.383 -4.628 -2.302) 5.692 ======================= Grid point 678 (225/288) ======================= q-point: ( 0.64 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 2.674 10.496 2.048) 11.023 1.823 ( -0.603 14.870 2.145) 15.036 2.252 ( 4.733 5.231 0.041) 7.054 2.312 ( 5.606 6.110 -2.566) 8.680 2.733 ( 0.641 -3.783 -3.395) 5.124 3.200 ( 3.500 -1.422 1.765) 4.170 3.828 ( 1.792 2.453 0.384) 3.063 3.853 ( -0.824 1.918 0.792) 2.232 4.074 ( -0.348 -2.271 -0.615) 2.379 4.374 ( -10.361 1.050 -1.223) 10.486 4.541 ( 3.811 1.600 -0.091) 4.134 4.964 ( -0.017 -7.665 0.391) 7.675 ======================= Grid point 679 (226/288) ======================= q-point: ( 0.71 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 0.025 8.572 1.738) 8.746 1.955 ( 0.296 12.680 -2.292) 12.889 2.329 ( -0.766 2.375 2.990) 3.894 2.441 ( 3.928 3.406 -1.176) 5.330 2.641 ( -5.331 -1.957 -6.598) 8.705 3.261 ( 4.636 -1.511 4.207) 6.440 3.836 ( -2.018 -0.363 0.610) 2.139 3.876 ( 1.002 2.084 -0.237) 2.324 4.074 ( 1.893 -0.120 0.815) 2.064 4.245 ( -7.718 4.354 -0.990) 8.916 4.653 ( 6.942 1.528 -0.031) 7.109 4.878 ( -1.280 -7.952 0.262) 8.058 ======================= Grid point 680 (227/288) ======================= q-point: (-0.21 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -2.065 5.396 -0.336) 5.788 2.069 ( 0.606 10.489 -3.440) 11.055 2.295 ( -4.162 -1.768 4.356) 6.279 2.478 ( -0.980 -3.040 -1.433) 3.500 2.534 ( -5.397 6.426 -5.425) 9.993 3.336 ( 2.411 -0.120 5.011) 5.562 3.793 ( -1.820 -1.643 0.452) 2.493 3.901 ( 0.045 1.252 -0.448) 1.330 4.131 ( 3.418 0.440 1.445) 3.737 4.180 ( -5.710 6.534 -1.032) 8.738 4.754 ( -0.399 -6.402 0.366) 6.425 4.807 ( 6.429 -0.943 -0.798) 6.546 ======================= Grid point 689 (228/288) ======================= q-point: ( 0.43 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -0.000 14.341 0.009) 14.341 1.391 ( -0.000 10.141 -4.249) 10.995 1.836 ( 0.000 3.737 3.571) 5.169 1.922 ( -0.000 10.703 -13.747) 17.422 2.349 ( 0.000 13.351 11.966) 17.928 2.952 ( 0.000 2.288 1.809) 2.916 3.643 ( -0.000 2.265 -0.244) 2.278 3.858 ( 0.000 -0.709 0.261) 0.756 4.090 ( 0.000 3.278 0.804) 3.375 4.431 ( 0.000 -1.495 -0.158) 1.504 4.823 ( 0.000 -13.270 3.412) 13.702 5.395 ( -0.000 -2.798 -9.522) 9.925 ======================= Grid point 690 (229/288) ======================= q-point: ( 0.50 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -1.518 9.407 -6.632) 11.610 1.614 ( 8.247 11.319 -1.855) 14.127 1.873 ( -1.751 9.028 3.867) 9.976 2.019 ( 3.527 6.664 -9.986) 12.513 2.548 ( 3.287 10.519 8.159) 13.712 3.003 ( 1.357 3.913 5.052) 6.532 3.687 ( 2.068 2.673 0.311) 3.394 3.843 ( -0.794 0.291 -0.354) 0.917 4.123 ( 0.524 0.867 -0.448) 1.108 4.431 ( 2.626 -3.878 2.099) 5.132 4.697 ( -0.600 -11.997 1.666) 12.127 5.281 ( -6.607 -2.406 -8.397) 10.952 ======================= Grid point 691 (230/288) ======================= q-point: ( 0.57 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 3.479 9.390 -3.646) 10.657 1.874 ( 5.348 14.797 4.468) 16.356 1.964 ( 4.588 4.501 -2.549) 6.914 2.131 ( 4.107 8.246 -5.623) 10.793 2.661 ( 1.123 1.577 3.118) 3.670 3.101 ( 2.414 4.707 4.416) 6.890 3.758 ( 2.487 2.838 1.234) 3.970 3.847 ( 0.406 1.554 -0.629) 1.725 4.111 ( -1.221 -1.248 -1.239) 2.141 4.450 ( 3.443 -4.027 1.898) 5.628 4.587 ( -1.321 -7.373 0.265) 7.495 5.098 ( -8.521 -3.035 -5.296) 10.481 ======================= Grid point 692 (231/288) ======================= q-point: ( 0.64 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 5.104 10.064 -0.161) 11.286 2.009 ( -2.705 10.144 5.417) 11.814 2.183 ( 10.942 8.143 -3.164) 14.001 2.276 ( 4.684 7.617 -2.861) 9.388 2.666 ( 0.923 -3.583 0.650) 3.756 3.165 ( 0.491 1.286 0.612) 1.506 3.823 ( 1.558 1.958 1.324) 2.831 3.878 ( 0.835 2.088 -0.139) 2.253 4.063 ( -1.571 -2.018 -0.971) 2.736 4.477 ( 1.888 -4.036 1.710) 4.773 4.516 ( -1.951 2.028 -1.851) 3.368 4.924 ( -5.044 -5.717 -1.382) 7.748 ======================= Grid point 693 (232/288) ======================= q-point: ( 0.71 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 2.372 9.486 1.371) 9.874 2.074 ( -1.089 8.141 1.731) 8.393 2.362 ( 1.473 4.010 2.296) 4.850 2.406 ( 3.625 3.907 -1.938) 5.671 2.661 ( 1.361 1.742 -4.648) 5.147 3.178 ( 2.493 -1.481 1.018) 3.074 3.850 ( 0.038 -0.287 0.279) 0.402 3.900 ( -0.701 2.039 0.330) 2.182 4.036 ( 1.020 -1.329 0.187) 1.686 4.417 ( -6.194 3.504 -0.967) 7.182 4.572 ( 4.226 1.045 0.163) 4.356 4.809 ( -0.872 -7.513 0.308) 7.569 ======================= Grid point 694 (233/288) ======================= q-point: ( 0.79 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -2.762 7.062 1.813) 7.796 2.146 ( 0.278 7.129 -0.505) 7.153 2.340 ( -3.213 -3.280 2.131) 5.062 2.446 ( 1.062 -1.924 -0.595) 2.277 2.703 ( -4.403 12.273 -5.935) 14.326 3.254 ( 6.804 -1.505 2.456) 7.389 3.818 ( -2.348 -1.027 -0.092) 2.564 3.909 ( 0.026 0.828 0.580) 1.011 4.067 ( 3.304 -1.556 0.899) 3.761 4.353 ( -6.353 6.788 -0.967) 9.348 4.647 ( 4.707 -2.689 0.330) 5.430 4.742 ( 0.349 -4.842 -0.078) 4.855 ======================= Grid point 704 (234/288) ======================= q-point: ( 0.50 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -0.000 6.372 -8.365) 10.515 1.552 ( -0.000 6.198 -10.694) 12.360 1.994 ( 0.000 7.796 6.923) 10.427 2.060 ( -0.000 11.061 -5.483) 12.345 2.651 ( 0.000 7.900 7.682) 11.019 3.061 ( 0.000 6.518 7.154) 9.678 3.698 ( -0.000 3.228 0.140) 3.231 3.847 ( -0.000 -0.402 -0.385) 0.557 4.128 ( -0.000 0.838 -0.905) 1.233 4.355 ( 0.000 -8.166 4.739) 9.442 4.608 ( -0.000 -6.703 -1.666) 6.907 5.284 ( -0.000 -3.549 -7.611) 8.398 ======================= Grid point 705 (235/288) ======================= q-point: ( 0.57 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 1.432 6.693 -5.643) 8.871 1.705 ( 12.043 3.452 -10.834) 16.562 2.086 ( -0.728 8.882 6.346) 10.940 2.172 ( 1.391 10.806 -2.105) 11.096 2.699 ( -1.607 -0.000 5.885) 6.100 3.160 ( -0.034 8.004 5.181) 9.534 3.750 ( 2.035 3.261 0.640) 3.897 3.846 ( 0.498 0.289 -0.581) 0.818 4.120 ( -1.008 -0.498 -1.400) 1.795 4.315 ( 4.124 -9.360 4.189) 11.053 4.559 ( -0.636 -0.918 -2.150) 2.423 5.174 ( -5.564 -4.205 -5.628) 8.962 ======================= Grid point 706 (236/288) ======================= q-point: ( 0.64 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 6.424 7.813 -1.303) 10.198 1.927 ( 13.449 1.196 -8.388) 15.895 2.203 ( 1.737 10.983 5.555) 12.430 2.294 ( 2.030 8.293 -0.961) 8.592 2.654 ( -2.199 -4.362 5.186) 7.125 3.215 ( -2.336 5.050 0.146) 5.566 3.821 ( 1.870 2.538 1.243) 3.389 3.865 ( 1.478 0.303 -0.553) 1.607 4.081 ( -1.996 -0.656 -1.299) 2.470 4.338 ( 6.723 -7.088 2.244) 10.023 4.555 ( -0.740 3.183 -1.274) 3.507 4.997 ( -8.083 -4.606 -2.962) 9.763 ======================= Grid point 707 (237/288) ======================= q-point: ( 0.71 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 6.672 7.260 -0.100) 9.860 2.093 ( 5.981 2.099 -2.346) 6.759 2.380 ( 3.774 5.126 -0.463) 6.382 2.386 ( 1.517 4.909 1.094) 5.253 2.620 ( 3.040 -0.293 4.170) 5.168 3.192 ( -3.547 2.467 -2.049) 4.782 3.847 ( -0.022 -0.356 0.809) 0.884 3.903 ( 1.968 0.642 -0.343) 2.098 4.041 ( -2.086 0.559 -0.834) 2.315 4.408 ( 6.620 -3.609 1.024) 7.608 4.576 ( -1.305 4.102 -0.647) 4.353 4.814 ( -6.594 -4.598 -0.726) 8.071 ======================= Grid point 708 (238/288) ======================= q-point: ( 0.79 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 2.942 5.096 -0.000) 5.885 2.180 ( 2.016 3.492 0.000) 4.033 2.357 ( -2.908 -5.037 -0.000) 5.816 2.419 ( 0.011 0.019 -0.000) 0.022 2.821 ( 7.079 12.261 -0.000) 14.157 3.161 ( -0.117 -0.202 -0.000) 0.233 3.836 ( -0.507 -0.877 -0.000) 1.013 3.918 ( -0.382 -0.662 -0.000) 0.764 4.023 ( -0.003 -0.006 -0.000) 0.006 4.475 ( 1.058 1.832 -0.000) 2.115 4.571 ( -0.351 -0.608 -0.000) 0.702 4.706 ( -1.578 -2.734 -0.000) 3.157 ======================= Grid point 720 (239/288) ======================= q-point: ( 0.57 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -0.000 3.293 -8.956) 9.542 1.576 ( -0.000 5.204 -4.324) 6.766 2.178 ( 0.000 6.777 3.496) 7.626 2.264 ( -0.000 10.199 -0.625) 10.218 2.711 ( 0.000 -4.917 6.746) 8.348 3.265 ( 0.000 8.726 3.148) 9.277 3.765 ( -0.000 3.174 0.390) 3.198 3.839 ( -0.000 0.027 -0.670) 0.671 4.116 ( -0.000 -2.007 -1.017) 2.250 4.201 ( 0.000 -7.184 2.760) 7.695 4.571 ( -0.000 3.283 -1.723) 3.708 5.158 ( -0.000 -5.583 -4.551) 7.203 ======================= Grid point 721 (240/288) ======================= q-point: ( 0.64 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 4.534 5.472 -2.236) 7.450 1.711 ( 10.104 3.384 -4.017) 11.388 2.260 ( 1.896 5.518 1.581) 6.045 2.356 ( 0.320 7.818 0.084) 7.825 2.651 ( -1.609 -7.349 6.523) 9.957 3.320 ( -2.657 5.909 -1.159) 6.582 3.813 ( 2.046 2.396 0.236) 3.160 3.846 ( 0.551 0.037 -0.184) 0.582 4.087 ( 0.387 -2.337 -0.412) 2.405 4.185 ( 3.241 -4.064 0.896) 5.275 4.610 ( -0.715 6.240 -0.648) 6.314 5.047 ( -4.529 -6.193 -2.751) 8.151 ======================= Grid point 722 (241/288) ======================= q-point: ( 0.71 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 7.686 3.973 -1.537) 8.788 1.944 ( 12.058 4.283 -0.227) 12.798 2.351 ( 3.047 1.928 -1.800) 4.030 2.429 ( 0.723 5.393 1.500) 5.644 2.580 ( 0.316 -5.924 6.641) 8.905 3.296 ( -4.372 4.281 -3.581) 7.089 3.841 ( 0.115 -1.888 -0.193) 1.901 3.873 ( 1.975 1.745 0.335) 2.657 4.084 ( -0.918 1.852 -1.313) 2.449 4.236 ( 7.423 -4.259 1.077) 8.626 4.653 ( -2.005 6.585 -0.056) 6.883 4.883 ( -6.482 -5.609 -0.993) 8.629 ======================= Grid point 736 (242/288) ======================= q-point: ( 0.64 0.64 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( -0.000 5.467 0.214) 5.471 1.663 ( -0.000 4.705 0.759) 4.766 2.281 ( -0.000 2.445 -0.707) 2.546 2.421 ( -0.000 5.317 0.168) 5.320 2.603 ( 0.000 -8.356 5.898) 10.228 3.382 ( -0.000 3.193 -4.358) 5.402 3.811 ( -0.000 1.024 -0.644) 1.210 3.848 ( 0.000 1.223 0.531) 1.333 4.032 ( 0.000 -4.512 1.513) 4.759 4.157 ( -0.000 0.478 -1.384) 1.464 4.693 ( -0.000 8.938 0.217) 8.941 5.010 ( -0.000 -7.482 -1.713) 7.676 ======================= Grid point 738 (243/288) ======================= q-point: (-0.29 -0.36 -0.79) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 3.308 3.857 1.039) 5.187 1.818 ( 9.554 6.635 4.630) 12.520 2.306 ( 2.105 -0.605 -2.811) 3.563 2.459 ( 0.718 1.440 1.250) 2.038 2.538 ( -0.853 -6.141 4.488) 7.653 3.366 ( -1.813 1.402 -6.375) 6.774 3.817 ( 0.261 -0.918 -0.966) 1.357 3.870 ( 0.812 1.289 1.083) 1.869 4.045 ( 4.803 -1.538 1.081) 5.158 4.158 ( -0.183 0.577 -1.405) 1.530 4.772 ( -2.095 9.509 0.562) 9.754 4.900 ( -3.304 -7.529 -0.510) 8.238 ======================= Grid point 753 (244/288) ======================= q-point: (-0.29 -0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 0.000 4.033 4.583) 6.105 1.784 ( 0.000 8.195 7.101) 10.844 2.257 ( -0.000 -3.452 -4.089) 5.351 2.439 ( 0.000 -4.034 2.291) 4.639 2.519 ( 0.000 -2.218 1.777) 2.842 3.353 ( -0.000 -1.492 -8.573) 8.702 3.809 ( -0.000 -0.281 -0.900) 0.942 3.875 ( 0.000 0.507 0.931) 1.060 3.986 ( 0.000 -1.380 1.753) 2.231 4.170 ( -0.000 1.698 -1.821) 2.489 4.848 ( 0.000 -7.831 0.481) 7.846 4.897 ( -0.000 10.437 0.341) 10.442 ======================= Grid point 860 (245/288) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 0.000 -0.000 16.820) 16.820 0.721 ( 0.000 -0.000 16.820) 16.820 1.221 ( 0.000 -0.000 29.964) 29.964 1.900 ( -0.000 0.000 -7.101) 7.101 1.900 ( -0.000 0.000 -7.101) 7.101 3.298 ( -0.000 0.000 -19.627) 19.627 3.608 ( -0.000 0.000 -0.609) 0.609 3.608 ( -0.000 0.000 -0.609) 0.609 3.877 ( 0.000 -0.000 1.296) 1.296 3.877 ( 0.000 -0.000 1.296) 1.296 5.046 ( 0.000 -0.000 7.100) 7.100 5.812 ( -0.000 0.000 -1.320) 1.320 ======================= Grid point 861 (246/288) ======================= q-point: ( 0.36 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 1.339 0.773 15.820) 15.895 0.912 ( 5.486 3.167 18.408) 19.467 1.388 ( 6.877 3.970 12.547) 14.849 1.914 ( 6.132 3.541 -1.208) 7.183 1.937 ( 2.862 1.652 -6.695) 7.466 3.025 ( -6.610 -3.816 -9.929) 12.524 3.617 ( 0.601 0.347 -0.855) 1.101 3.867 ( -0.869 -0.502 1.437) 1.752 3.929 ( 7.615 4.397 1.322) 8.892 4.107 ( 21.639 12.493 -15.228) 29.261 5.065 ( -0.079 -0.046 5.486) 5.487 5.677 ( -10.813 -6.243 -1.023) 12.528 ======================= Grid point 862 (247/288) ======================= q-point: ( 0.43 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 6.879 3.972 11.764) 14.195 1.051 ( 1.960 1.132 18.564) 18.701 1.571 ( 9.872 5.700 -10.166) 15.274 1.989 ( 3.357 1.938 -5.879) 7.042 2.181 ( 14.410 8.320 9.294) 19.060 2.951 ( 1.420 0.820 -7.914) 8.082 3.633 ( 1.170 0.676 -1.201) 1.808 3.849 ( -1.085 -0.626 1.591) 2.025 4.074 ( 4.816 2.781 1.166) 5.682 4.434 ( 9.980 5.762 -10.216) 15.400 5.074 ( -0.471 -0.272 4.492) 4.525 5.359 ( -15.601 -9.007 -3.160) 18.289 ======================= Grid point 863 (248/288) ======================= q-point: ( 0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 9.636 5.563 7.387) 13.355 1.151 ( 3.773 2.178 10.459) 11.330 1.794 ( 11.840 6.836 -8.118) 15.899 2.054 ( 3.758 2.170 -4.569) 6.301 2.534 ( 13.129 7.580 6.037) 16.318 3.018 ( 5.748 3.319 -3.895) 7.696 3.665 ( 2.082 1.202 -1.384) 2.774 3.830 ( -0.886 -0.511 1.611) 1.908 4.143 ( 1.312 0.758 -0.964) 1.796 4.528 ( 1.118 0.646 -4.075) 4.274 4.930 ( -17.391 -10.040 3.940) 20.464 5.123 ( 0.265 0.153 -3.513) 3.527 ======================= Grid point 864 (249/288) ======================= q-point: ( 0.57 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 6.742 3.892 5.196) 9.359 1.329 ( 9.609 5.548 3.581) 11.659 2.041 ( 11.030 6.368 -3.265) 13.148 2.131 ( 3.934 2.271 -2.643) 5.255 2.769 ( 6.251 3.609 0.153) 7.219 3.163 ( 6.562 3.788 -0.182) 7.579 3.718 ( 2.756 1.591 -1.285) 3.432 3.821 ( -0.339 -0.196 1.421) 1.474 4.141 ( -0.854 -0.493 -1.628) 1.903 4.500 ( -4.598 -2.655 -4.544) 6.988 4.553 ( -11.713 -6.762 2.781) 13.808 5.132 ( -0.279 -0.161 1.040) 1.089 ======================= Grid point 865 (250/288) ======================= q-point: ( 0.64 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 7.583 4.378 1.119) 8.827 1.533 ( 7.710 4.451 0.223) 8.905 2.212 ( 3.300 1.905 -0.199) 3.816 2.264 ( 8.850 5.110 -0.779) 10.249 2.806 ( -2.728 -1.575 -3.333) 4.586 3.277 ( 3.154 1.821 2.011) 4.160 3.774 ( 2.203 1.272 -0.613) 2.617 3.826 ( 0.634 0.366 0.697) 1.011 4.109 ( -1.584 -0.914 -0.520) 1.901 4.242 ( -8.940 -5.161 -0.959) 10.367 4.552 ( 3.969 2.291 0.005) 4.583 5.099 ( -3.110 -1.795 1.408) 3.857 ======================= Grid point 866 (251/288) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 7.260 4.192 -3.427) 9.057 1.678 ( 5.356 3.092 -2.546) 6.688 2.267 ( 1.004 0.579 2.200) 2.487 2.422 ( 4.763 2.750 -0.173) 5.502 2.656 ( -7.700 -4.445 -5.462) 10.435 3.333 ( 0.817 0.472 6.520) 6.588 3.804 ( 0.518 0.299 0.723) 0.938 3.854 ( 1.478 0.853 -0.696) 1.843 4.044 ( -3.443 -1.988 -1.086) 4.121 4.146 ( -0.314 -0.181 1.046) 1.107 4.696 ( 8.130 4.694 -0.369) 9.395 4.999 ( -5.846 -3.375 0.606) 6.778 ======================= Grid point 875 (252/288) ======================= q-point: ( 0.36 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 0.000 7.126 15.568) 17.122 0.962 ( 0.000 9.286 10.522) 14.033 1.456 ( 0.000 7.340 17.208) 18.708 1.816 ( -0.000 -1.456 -5.984) 6.159 1.965 ( -0.000 7.209 -3.756) 8.129 3.000 ( -0.000 -7.322 -10.275) 12.617 3.602 ( -0.000 0.087 -0.366) 0.376 3.863 ( -0.000 7.957 0.070) 7.957 3.884 ( 0.000 -0.369 0.904) 0.976 4.101 ( -0.000 21.680 -10.529) 24.101 5.082 ( 0.000 -0.566 5.095) 5.126 5.692 ( 0.000 -9.713 -1.926) 9.902 ======================= Grid point 876 (253/288) ======================= q-point: ( 0.43 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -1.047 10.653 10.554) 15.032 1.139 ( 2.870 8.637 14.784) 17.360 1.516 ( -1.206 7.169 -5.284) 8.988 1.902 ( 7.698 1.361 -5.182) 9.379 2.094 ( 7.490 9.555 6.459) 13.752 2.918 ( -0.154 -0.416 -7.751) 7.763 3.622 ( 1.320 0.829 -0.481) 1.631 3.849 ( -1.002 -0.926 0.601) 1.491 4.021 ( 5.795 3.911 2.140) 7.312 4.324 ( 7.458 12.373 -9.672) 17.386 5.079 ( -0.229 -2.290 4.300) 4.877 5.489 ( -10.243 -10.162 -3.566) 14.863 ======================= Grid point 877 (254/288) ======================= q-point: ( 0.50 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 3.267 10.486 5.502) 12.284 1.259 ( -3.360 9.893 15.026) 18.301 1.650 ( 9.965 8.612 -8.884) 15.887 1.997 ( 4.416 2.662 -7.437) 9.049 2.404 ( 12.666 8.550 7.089) 16.846 2.948 ( 4.001 3.019 -4.217) 6.550 3.655 ( 1.143 2.180 -0.674) 2.553 3.830 ( -0.089 -1.379 0.731) 1.563 4.120 ( 2.319 1.409 -0.031) 2.713 4.482 ( 4.090 2.819 -4.336) 6.594 5.048 ( -2.432 -8.952 8.391) 12.509 5.174 ( -12.234 -3.595 -8.462) 15.304 ======================= Grid point 878 (255/288) ======================= q-point: ( 0.57 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 5.207 8.532 2.605) 10.329 1.377 ( -0.561 13.616 11.009) 17.518 1.907 ( 11.447 8.058 -3.337) 14.391 2.081 ( 4.496 3.364 -5.974) 8.198 2.669 ( 9.033 3.904 0.585) 9.858 3.075 ( 6.956 3.715 -0.720) 7.919 3.703 ( 1.580 3.154 -0.802) 3.618 3.824 ( 0.144 -0.501 1.001) 1.129 4.137 ( -0.076 -0.651 -1.254) 1.415 4.505 ( -0.290 -0.616 -2.719) 2.803 4.742 ( -16.207 -9.151 0.515) 18.619 5.107 ( 1.321 -2.334 1.000) 2.862 ======================= Grid point 879 (256/288) ======================= q-point: ( 0.64 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 4.710 8.346 3.012) 10.046 1.547 ( 1.289 13.038 5.225) 14.105 2.150 ( 8.517 5.425 -0.737) 10.125 2.186 ( 5.423 5.257 -3.293) 8.240 2.781 ( 2.643 -1.392 -2.861) 4.136 3.211 ( 5.723 1.157 -0.228) 5.843 3.763 ( 1.735 3.420 -0.760) 3.909 3.831 ( 0.071 0.705 1.163) 1.362 4.113 ( -0.730 -1.602 -0.694) 1.892 4.389 ( -12.638 -3.213 -3.064) 13.395 4.524 ( 0.531 -0.048 1.210) 1.322 5.095 ( 0.244 -4.898 2.414) 5.466 ======================= Grid point 880 (257/288) ======================= q-point: ( 0.71 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 3.103 7.437 1.803) 8.258 1.696 ( 1.196 11.489 -0.435) 11.559 2.266 ( 2.356 3.638 0.246) 4.341 2.359 ( 6.586 4.527 -0.461) 8.005 2.707 ( -5.275 -4.951 -5.647) 9.178 3.301 ( 4.465 -0.690 3.031) 5.440 3.813 ( 0.321 2.555 0.137) 2.579 3.845 ( 0.526 1.006 0.101) 1.140 4.083 ( -1.308 -1.061 0.275) 1.707 4.195 ( -6.769 0.523 -1.005) 6.863 4.606 ( 6.281 2.817 0.193) 6.887 5.027 ( -2.486 -6.347 1.619) 7.006 ======================= Grid point 890 (258/288) ======================= q-point: ( 0.43 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 0.000 12.571 10.309) 16.257 1.185 ( -0.000 9.544 0.222) 9.547 1.665 ( -0.000 10.093 -7.319) 12.467 1.792 ( -0.000 1.476 0.032) 1.476 2.150 ( 0.000 10.706 7.911) 13.311 2.901 ( -0.000 1.408 -5.471) 5.649 3.610 ( -0.000 1.005 -0.122) 1.013 3.875 ( 0.000 -0.824 0.357) 0.898 4.008 ( 0.000 5.698 2.789) 6.344 4.357 ( -0.000 9.404 -5.617) 10.954 5.054 ( 0.000 -6.450 4.602) 7.923 5.465 ( -0.000 -8.958 -6.930) 11.325 ======================= Grid point 891 (259/288) ======================= q-point: ( 0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -2.005 10.563 0.126) 10.753 1.396 ( 6.644 10.444 5.231) 13.439 1.658 ( -3.473 11.603 -4.978) 13.095 1.905 ( 5.883 2.781 -6.759) 9.382 2.355 ( 6.730 11.243 9.629) 16.261 2.927 ( 1.412 4.156 -2.112) 4.871 3.645 ( 2.096 1.681 0.059) 2.688 3.841 ( -2.015 -0.198 -0.056) 2.026 4.096 ( 2.581 2.261 1.354) 3.688 4.441 ( 2.915 3.309 -1.610) 4.695 4.979 ( 0.010 -12.173 6.069) 13.602 5.297 ( -8.169 -3.913 -9.494) 13.122 ======================= Grid point 892 (260/288) ======================= q-point: ( 0.57 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 2.759 9.908 -1.428) 10.384 1.594 ( -0.353 14.917 9.506) 17.692 1.807 ( 8.132 10.237 -2.966) 13.406 1.999 ( 5.320 3.088 -8.191) 10.243 2.585 ( 6.302 6.370 3.159) 9.501 3.020 ( 4.094 4.962 1.083) 6.523 3.705 ( 2.096 2.841 0.241) 3.538 3.821 ( -0.253 0.465 -0.225) 0.575 4.128 ( 0.181 -0.428 -0.386) 0.604 4.487 ( 1.147 -0.491 -0.696) 1.429 4.830 ( -4.799 -14.264 4.231) 15.633 5.114 ( -6.194 -0.571 -5.731) 8.458 ======================= Grid point 893 (261/288) ======================= q-point: ( 0.64 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 4.840 10.403 0.402) 11.480 1.749 ( -3.296 16.488 10.107) 19.618 2.049 ( 10.429 6.303 -2.928) 12.532 2.120 ( 6.502 5.909 -5.616) 10.428 2.702 ( 3.643 -0.018 -1.161) 3.824 3.138 ( 4.178 2.384 0.419) 4.829 3.770 ( 1.673 3.566 0.020) 3.939 3.837 ( 0.704 1.484 0.387) 1.688 4.105 ( -0.863 -1.989 -0.573) 2.242 4.483 ( -0.598 0.146 -1.717) 1.824 4.590 ( -9.706 -6.499 0.474) 11.690 5.034 ( -0.197 -5.459 0.885) 5.534 ======================= Grid point 894 (262/288) ======================= q-point: ( 0.71 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 3.421 10.292 1.264) 10.919 1.861 ( -3.825 13.941 5.986) 15.646 2.243 ( 6.264 6.090 -2.702) 9.144 2.293 ( 6.612 6.044 -1.065) 9.021 2.698 ( -1.009 -4.108 -4.437) 6.131 3.212 ( 4.425 -0.953 0.821) 4.600 3.828 ( 1.377 2.972 -0.402) 3.300 3.860 ( -0.562 1.500 0.659) 1.732 4.073 ( 0.098 -2.125 0.421) 2.169 4.358 ( -10.056 1.527 -2.136) 10.393 4.545 ( 3.551 1.331 0.832) 3.883 4.974 ( 0.168 -8.297 1.893) 8.512 ======================= Grid point 906 (263/288) ======================= q-point: ( 0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -0.000 8.141 -8.235) 11.579 1.376 ( -0.000 8.807 -1.893) 9.008 1.805 ( -0.000 12.065 -11.282) 16.519 1.884 ( 0.000 5.469 6.480) 8.479 2.455 ( 0.000 12.905 10.741) 16.790 2.963 ( -0.000 5.687 0.673) 5.727 3.643 ( -0.000 2.290 0.195) 2.298 3.858 ( -0.000 -0.845 -0.280) 0.890 4.101 ( 0.000 2.247 1.539) 2.723 4.437 ( 0.000 0.656 1.580) 1.711 4.856 ( 0.000 -15.299 3.915) 15.792 5.305 ( -0.000 -2.271 -10.146) 10.397 ======================= Grid point 907 (264/288) ======================= q-point: ( 0.57 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 0.027 8.337 -6.113) 10.338 1.568 ( 11.501 6.968 -7.956) 15.625 1.901 ( -0.845 13.411 -0.233) 13.440 1.972 ( 1.348 6.547 1.796) 6.921 2.614 ( 1.218 9.037 6.243) 11.050 3.040 ( 1.195 6.478 3.310) 7.373 3.691 ( 2.293 2.799 0.474) 3.649 3.839 ( -0.928 0.183 -0.600) 1.120 4.122 ( 0.162 0.098 0.226) 0.295 4.453 ( 1.687 -2.139 2.787) 3.897 4.715 ( 0.206 -14.871 2.150) 15.027 5.205 ( -5.885 -1.212 -8.079) 10.068 ======================= Grid point 908 (265/288) ======================= q-point: ( 0.64 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 5.167 9.600 -2.069) 11.096 1.839 ( 15.135 6.021 -8.979) 18.600 2.001 ( -2.827 10.871 7.222) 13.353 2.099 ( 3.831 9.991 -1.108) 10.758 2.686 ( -0.493 2.187 2.292) 3.206 3.131 ( 1.117 4.580 2.098) 5.160 3.767 ( 2.603 3.093 0.656) 4.095 3.842 ( 0.550 1.544 -0.560) 1.732 4.104 ( -1.262 -1.558 -0.378) 2.041 4.467 ( 1.871 -2.096 1.833) 3.355 4.590 ( -0.817 -10.046 0.321) 10.084 5.056 ( -6.775 -2.492 -3.697) 8.110 ======================= Grid point 909 (266/288) ======================= q-point: ( 0.71 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 5.850 10.132 -0.000) 11.699 2.039 ( 2.118 3.668 0.000) 4.236 2.163 ( 7.891 13.668 -0.000) 15.783 2.263 ( 4.545 7.872 -0.000) 9.090 2.670 ( -1.360 -2.355 -0.000) 2.720 3.168 ( 0.351 0.608 -0.000) 0.702 3.829 ( 1.257 2.177 -0.000) 2.514 3.877 ( 1.146 1.985 -0.000) 2.292 4.059 ( -1.251 -2.168 -0.000) 2.503 4.488 ( -2.253 -3.902 0.000) 4.506 4.503 ( 1.263 2.187 -0.000) 2.526 4.918 ( -3.557 -6.161 -0.000) 7.114 ======================= Grid point 922 (267/288) ======================= q-point: ( 0.57 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -0.000 7.456 -7.459) 10.547 1.453 ( -0.000 4.912 -10.925) 11.978 2.027 ( -0.000 13.296 -2.011) 13.447 2.053 ( 0.000 6.987 5.874) 9.128 2.714 ( 0.000 6.654 5.916) 8.904 3.116 ( 0.000 7.717 4.928) 9.156 3.701 ( -0.000 3.262 0.535) 3.306 3.841 ( -0.000 -0.484 -0.793) 0.929 4.124 ( 0.000 -0.045 0.042) 0.062 4.403 ( 0.000 -7.589 5.598) 9.430 4.592 ( 0.000 -8.553 -1.851) 8.751 5.216 ( -0.000 -2.167 -7.091) 7.415 ======================= Grid point 923 (268/288) ======================= q-point: ( 0.64 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 3.200 7.786 -4.075) 9.352 1.613 ( 11.704 4.713 -9.080) 15.545 2.135 ( 0.080 8.069 3.863) 8.946 2.163 ( 1.400 11.085 0.478) 11.183 2.747 ( -2.239 0.687 4.640) 5.198 3.197 ( -1.065 6.594 2.897) 7.281 3.756 ( 2.201 3.278 0.668) 4.005 3.840 ( 0.539 0.356 -0.851) 1.068 4.111 ( -0.997 -0.952 -0.414) 1.439 4.354 ( 3.728 -10.664 4.306) 12.089 4.540 ( -0.402 -0.614 -2.040) 2.168 5.127 ( -4.986 -3.040 -4.593) 7.429 ======================= Grid point 939 (269/288) ======================= q-point: (-0.36 -0.36 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -0.000 5.978 -5.313) 7.998 1.545 ( -0.000 7.069 -2.366) 7.454 2.202 ( 0.000 5.278 1.889) 5.606 2.260 ( -0.000 10.482 -0.025) 10.482 2.766 ( 0.000 -4.229 5.335) 6.808 3.283 ( -0.000 6.030 0.724) 6.074 3.769 ( -0.000 2.990 0.534) 3.037 3.833 ( -0.000 0.244 -0.737) 0.777 4.108 ( -0.000 -1.511 -0.483) 1.586 4.226 ( 0.000 -9.208 2.440) 9.526 4.558 ( -0.000 4.052 -1.112) 4.202 5.121 ( -0.000 -4.427 -3.383) 5.572 ======================= Grid point 1078 (270/288) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 0.000 -0.000 13.326) 13.326 0.859 ( 0.000 -0.000 13.326) 13.326 1.472 ( 0.000 -0.000 24.968) 24.968 1.836 ( -0.000 0.000 -6.826) 6.826 1.836 ( -0.000 0.000 -6.826) 6.826 3.123 ( -0.000 0.000 -18.321) 18.321 3.604 ( -0.000 0.000 -0.432) 0.432 3.604 ( -0.000 0.000 -0.432) 0.432 3.887 ( 0.000 -0.000 0.982) 0.982 3.887 ( 0.000 -0.000 0.982) 0.982 5.103 ( 0.000 -0.000 5.343) 5.343 5.800 ( -0.000 0.000 -1.170) 1.170 ======================= Grid point 1079 (271/288) ======================= q-point: ( 0.43 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 0.849 0.490 13.861) 13.896 1.056 ( 8.710 5.029 12.472) 16.022 1.465 ( -4.617 -2.666 4.760) 7.147 1.874 ( 3.043 1.757 -7.132) 7.951 1.933 ( 10.826 6.250 4.917) 13.433 2.931 ( -5.161 -2.980 -10.172) 11.789 3.609 ( 0.448 0.258 -0.712) 0.880 3.879 ( -0.761 -0.439 1.138) 1.437 3.940 ( 12.442 7.183 0.659) 14.382 3.997 ( 15.031 8.678 -8.887) 19.499 5.109 ( -0.662 -0.382 3.998) 4.070 5.668 ( -10.803 -6.237 -0.822) 12.501 ======================= Grid point 1080 (272/288) ======================= q-point: ( 0.50 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 5.404 3.120 12.015) 13.539 1.222 ( -0.861 -0.497 18.702) 18.728 1.469 ( 9.847 5.685 -11.802) 16.388 1.931 ( 3.815 2.202 -6.918) 8.202 2.254 ( 14.261 8.234 6.083) 17.555 2.883 ( 2.535 1.464 -6.432) 7.067 3.623 ( 1.044 0.603 -0.982) 1.555 3.862 ( -1.006 -0.581 1.267) 1.719 4.079 ( 4.073 2.351 -0.344) 4.715 4.355 ( 12.264 7.080 -6.847) 15.730 5.106 ( -0.095 -0.055 2.258) 2.261 5.344 ( -16.680 -9.630 0.010) 19.260 ======================= Grid point 1081 (273/288) ======================= q-point: ( 0.57 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 7.945 4.587 9.073) 12.903 1.251 ( 1.515 0.874 11.073) 11.210 1.738 ( 13.517 7.804 -3.927) 16.095 2.006 ( 4.534 2.618 -6.079) 8.023 2.564 ( 11.393 6.578 0.166) 13.157 2.986 ( 7.163 4.135 -2.850) 8.748 3.654 ( 2.037 1.176 -1.057) 2.579 3.844 ( -0.870 -0.502 1.276) 1.624 4.132 ( 1.005 0.580 -1.544) 1.932 4.491 ( 1.988 1.148 -3.942) 4.561 4.931 ( -17.562 -10.139 -3.149) 20.522 5.139 ( 0.576 0.332 6.265) 6.300 ======================= Grid point 1082 (274/288) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 4.899 2.829 8.919) 10.562 1.372 ( 7.909 4.567 5.802) 10.820 2.022 ( 11.825 6.827 -0.870) 13.682 2.099 ( 5.050 2.915 -4.387) 7.297 2.755 ( 5.496 3.173 -3.095) 7.061 3.150 ( 7.132 4.118 -2.583) 8.631 3.707 ( 2.809 1.622 -0.928) 3.374 3.832 ( -0.414 -0.239 1.148) 1.243 4.128 ( -0.614 -0.354 -0.981) 1.210 4.454 ( -5.899 -3.406 -5.567) 8.797 4.574 ( -9.423 -5.440 2.103) 11.082 5.160 ( -0.782 -0.451 4.942) 5.023 ======================= Grid point 1094 (275/288) ======================= q-point: ( 0.43 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 0.000 6.806 14.134) 15.688 1.031 ( 0.000 6.627 4.277) 7.887 1.558 ( 0.000 -0.605 4.383) 4.424 1.775 ( -0.000 -0.144 -2.549) 2.553 1.957 ( -0.000 10.525 2.299) 10.773 2.907 ( -0.000 -5.053 -9.439) 10.706 3.600 ( -0.000 0.128 -0.069) 0.145 3.867 ( -0.000 11.875 0.913) 11.910 3.890 ( 0.000 -0.470 0.415) 0.627 4.028 ( -0.000 16.939 -5.910) 17.941 5.120 ( 0.000 -1.021 3.297) 3.451 5.676 ( 0.000 -10.797 -1.518) 10.903 ======================= Grid point 1095 (276/288) ======================= q-point: ( 0.50 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -1.170 7.208 8.600) 11.282 1.249 ( 9.655 7.551 8.678) 15.018 1.461 ( -7.023 4.180 -5.555) 9.882 1.850 ( 5.267 1.192 -5.379) 7.622 2.160 ( 8.770 11.125 6.574) 15.617 2.855 ( 0.355 1.158 -5.657) 5.786 3.619 ( 1.037 1.046 -0.266) 1.496 3.853 ( -0.838 -1.143 0.340) 1.458 4.039 ( 4.717 3.863 1.753) 6.344 4.254 ( 8.007 14.717 -5.603) 17.666 5.111 ( -0.228 -1.573 2.603) 3.050 5.463 ( -9.756 -12.756 -2.137) 16.200 ======================= Grid point 1096 (277/288) ======================= q-point: ( 0.57 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 3.736 6.209 5.664) 9.197 1.380 ( -4.025 8.816 10.404) 14.219 1.589 ( 12.274 10.156 -3.288) 16.267 1.929 ( 4.801 2.079 -7.026) 8.759 2.444 ( 10.225 8.478 1.313) 13.347 2.917 ( 4.641 4.686 -2.110) 6.925 3.650 ( 0.830 2.492 -0.502) 2.674 3.836 ( 0.308 -1.765 0.500) 1.860 4.117 ( 1.435 1.576 -0.705) 2.245 4.450 ( 4.134 4.342 -2.639) 6.550 5.100 ( -8.740 -2.095 -6.908) 11.336 5.128 ( -4.789 -11.656 8.371) 15.129 ======================= Grid point 1097 (278/288) ======================= q-point: ( 0.64 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 6.016 6.107 4.676) 9.765 1.479 ( -1.701 13.267 11.046) 17.347 1.891 ( 12.064 8.554 0.048) 14.789 2.022 ( 5.775 2.904 -6.778) 9.367 2.657 ( 7.725 3.989 -3.154) 9.249 3.063 ( 6.536 4.639 -1.835) 8.222 3.696 ( 1.375 3.396 -0.657) 3.722 3.832 ( 0.447 -0.703 0.815) 1.165 4.127 ( -0.195 -0.370 -0.850) 0.948 4.479 ( -1.112 -0.003 -2.933) 3.137 4.734 ( -15.466 -8.162 -1.846) 17.585 5.140 ( 2.202 -4.051 5.860) 7.457 ======================= Grid point 1110 (279/288) ======================= q-point: ( 0.50 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -0.000 6.931 -6.303) 9.369 1.225 ( 0.000 8.392 11.954) 14.605 1.560 ( -0.000 6.508 -14.716) 16.091 1.814 ( 0.000 3.430 4.559) 5.705 2.230 ( 0.000 13.080 8.211) 15.444 2.858 ( -0.000 3.425 -3.681) 5.028 3.611 ( 0.000 1.029 0.275) 1.065 3.876 ( 0.000 -0.940 -0.214) 0.964 4.037 ( 0.000 5.178 3.430) 6.211 4.319 ( -0.000 12.297 -2.523) 12.553 5.090 ( 0.000 -4.915 3.410) 5.982 5.406 ( -0.000 -12.589 -5.979) 13.937 ======================= Grid point 1111 (280/288) ======================= q-point: ( 0.57 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -0.193 6.901 -3.096) 7.566 1.423 ( 9.600 5.501 0.373) 11.071 1.607 ( -0.299 14.368 -5.923) 15.544 1.883 ( 1.484 3.872 2.169) 4.679 2.425 ( 4.463 11.640 5.315) 13.552 2.912 ( 1.783 6.221 -0.846) 6.526 3.646 ( 2.007 1.830 0.273) 2.730 3.839 ( -1.976 -0.423 -0.251) 2.036 4.108 ( 1.592 1.887 1.215) 2.751 4.435 ( 2.553 5.125 0.522) 5.750 5.037 ( 1.139 -12.190 6.733) 13.973 5.211 ( -7.929 -5.366 -9.416) 13.429 ======================= Grid point 1112 (281/288) ======================= q-point: ( 0.64 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 4.707 8.153 -0.000) 9.414 1.643 ( 6.487 11.236 -0.000) 12.975 1.793 ( 6.578 11.394 -0.000) 13.156 1.957 ( 2.591 4.488 -0.000) 5.182 2.599 ( 3.901 6.756 -0.000) 7.801 3.025 ( 3.614 6.259 -0.000) 7.227 3.706 ( 1.825 3.162 -0.000) 3.651 3.820 ( 0.097 0.169 -0.000) 0.195 4.126 ( -0.235 -0.408 -0.000) 0.471 4.484 ( 0.156 0.270 -0.000) 0.312 4.852 ( -8.038 -13.923 -0.000) 16.076 5.086 ( -1.137 -1.970 0.000) 2.275 ======================= Grid point 1126 (282/288) ======================= q-point: ( 0.57 0.57 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -0.000 8.023 -9.511) 12.443 1.337 ( -0.000 3.020 -7.101) 7.716 1.734 ( -0.000 15.342 -3.669) 15.774 1.946 ( 0.000 5.754 6.926) 9.004 2.535 ( 0.000 12.388 6.395) 13.941 2.969 ( -0.000 7.986 0.958) 8.043 3.647 ( 0.000 2.317 0.641) 2.404 3.853 ( -0.000 -0.946 -0.810) 1.246 4.116 ( 0.000 1.436 1.806) 2.307 4.458 ( 0.000 2.066 3.057) 3.690 4.894 ( 0.000 -17.489 4.439) 18.043 5.215 ( -0.000 -1.369 -9.631) 9.728 ======================= Grid point 1300 (283/288) ======================= q-point: ( 0.43 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 0.000 -0.000 7.744) 7.744 0.956 ( 0.000 -0.000 7.744) 7.744 1.660 ( 0.000 -0.000 15.459) 15.459 1.782 ( -0.000 0.000 -4.489) 4.489 1.782 ( -0.000 0.000 -4.489) 4.489 2.980 ( -0.000 0.000 -12.199) 12.199 3.601 ( -0.000 0.000 -0.221) 0.221 3.601 ( -0.000 0.000 -0.221) 0.221 3.894 ( 0.000 -0.000 0.525) 0.525 3.894 ( 0.000 -0.000 0.525) 0.525 5.140 ( 0.000 -0.000 2.873) 2.873 5.792 ( -0.000 0.000 -0.701) 0.701 ======================= Grid point 1301 (284/288) ======================= q-point: ( 0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 1.470 0.848 9.898) 10.042 1.121 ( 10.389 5.998 1.021) 12.040 1.500 ( -9.790 -5.652 4.448) 12.148 1.813 ( 2.654 1.532 -5.898) 6.646 1.980 ( 12.123 6.999 4.050) 14.573 2.856 ( -3.630 -2.096 -5.484) 6.903 3.604 ( 0.304 0.175 -0.488) 0.601 3.887 ( -0.638 -0.368 0.675) 0.999 3.916 ( 19.841 11.455 -4.816) 23.411 3.968 ( 5.900 3.407 1.243) 6.925 5.136 ( -0.936 -0.540 1.735) 2.045 5.663 ( -10.577 -6.107 -0.166) 12.214 ======================= Grid point 1302 (285/288) ======================= q-point: ( 0.57 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 5.033 2.906 10.372) 11.889 1.325 ( -0.864 -0.499 -6.617) 6.692 1.421 ( 10.373 5.989 11.934) 16.908 1.867 ( 3.801 2.194 -6.768) 8.066 2.277 ( 12.866 7.428 -1.469) 14.928 2.845 ( 3.311 1.912 -1.399) 4.071 3.615 ( 0.949 0.548 -0.655) 1.276 3.871 ( -0.914 -0.528 0.779) 1.312 4.066 ( 3.928 2.268 -2.510) 5.184 4.315 ( 12.388 7.152 -1.834) 14.422 5.112 ( -1.896 -1.095 -1.052) 2.429 5.361 ( -14.508 -8.376 3.650) 17.145 ======================= Grid point 1316 (286/288) ======================= q-point: ( 0.50 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -0.000 3.749 -3.463) 5.104 1.078 ( 0.000 9.075 9.386) 13.056 1.547 ( -0.000 -7.678 -4.909) 9.113 1.774 ( 0.000 1.704 2.318) 2.877 1.987 ( -0.000 12.930 2.540) 13.178 2.845 ( -0.000 -3.681 -3.290) 4.938 3.601 ( 0.000 0.217 0.220) 0.309 3.882 ( -0.000 16.842 2.627) 17.046 3.891 ( 0.000 -0.597 -0.133) 0.611 3.988 ( -0.000 11.844 -3.195) 12.267 5.139 ( 0.000 -1.165 0.873) 1.455 5.666 ( 0.000 -11.652 -0.735) 11.676 ======================= Grid point 1317 (287/288) ======================= q-point: ( 0.57 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 2.137 3.701 -0.000) 4.274 1.287 ( 7.187 12.448 -0.000) 14.374 1.435 ( -1.591 -2.757 0.000) 3.183 1.822 ( 1.602 2.775 -0.000) 3.204 2.193 ( 7.097 12.292 -0.000) 14.194 2.827 ( 0.941 1.630 -0.000) 1.882 3.617 ( 0.719 1.245 -0.000) 1.438 3.855 ( -0.723 -1.252 -0.000) 1.445 4.048 ( 2.588 4.483 -0.000) 5.177 4.228 ( 8.896 15.409 -0.000) 17.792 5.124 ( -0.564 -0.976 -0.000) 1.128 5.453 ( -8.373 -14.502 -0.000) 16.745 ======================= Grid point 1527 (288/288) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 0.000 -0.000 0.000) 0.000 0.992 ( 0.000 -0.000 0.000) 0.000 1.733 ( 0.000 -0.000 0.000) 0.000 1.761 ( 0.000 -0.000 0.000) 0.000 1.761 ( 0.000 -0.000 0.000) 0.000 2.921 ( 0.000 -0.000 0.000) 0.000 3.600 ( 0.000 -0.000 0.000) 0.000 3.600 ( 0.000 -0.000 0.000) 0.000 3.897 ( 0.000 -0.000 0.000) 0.000 3.897 ( 0.000 -0.000 0.000) 0.000 5.153 ( 0.000 -0.000 0.000) 0.000 5.788 ( 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 10.0 355.821 355.821 749.085 -0.000 0.000 -0.000 3/32928 20.0 110.824 110.824 102.617 -0.000 0.000 -0.000 3/32928 30.0 52.506 52.506 39.609 -0.000 -0.000 -0.000 3/32928 40.0 31.982 31.982 22.713 -0.000 -0.000 -0.000 3/32928 50.0 22.621 22.621 15.692 -0.000 -0.000 -0.000 3/32928 60.0 17.516 17.516 12.001 -0.000 -0.000 -0.000 3/32928 70.0 14.354 14.354 9.756 -0.000 -0.000 -0.000 3/32928 80.0 12.208 12.208 8.249 -0.000 -0.000 -0.000 3/32928 90.0 10.653 10.653 7.165 -0.000 -0.000 -0.000 3/32928 100.0 9.470 9.470 6.346 -0.000 -0.000 -0.000 3/32928 110.0 8.537 8.537 5.703 -0.000 -0.000 -0.000 3/32928 120.0 7.780 7.780 5.184 -0.000 -0.000 -0.000 3/32928 130.0 7.151 7.151 4.756 -0.000 -0.000 -0.000 3/32928 140.0 6.621 6.621 4.395 -0.000 -0.000 -0.000 3/32928 150.0 6.166 6.166 4.087 -0.000 -0.000 -0.000 3/32928 160.0 5.772 5.772 3.820 -0.000 -0.000 -0.000 3/32928 170.0 5.426 5.426 3.587 -0.000 -0.000 -0.000 3/32928 180.0 5.121 5.121 3.382 -0.000 -0.000 -0.000 3/32928 190.0 4.848 4.848 3.199 -0.000 -0.000 -0.000 3/32928 200.0 4.604 4.604 3.035 -0.000 -0.000 -0.000 3/32928 210.0 4.384 4.384 2.888 -0.000 -0.000 -0.000 3/32928 220.0 4.184 4.184 2.754 -0.000 -0.000 -0.000 3/32928 230.0 4.002 4.002 2.633 -0.000 -0.000 -0.000 3/32928 240.0 3.835 3.835 2.522 -0.000 -0.000 -0.000 3/32928 250.0 3.682 3.682 2.420 -0.000 -0.000 -0.000 3/32928 260.0 3.540 3.540 2.326 -0.000 -0.000 -0.000 3/32928 270.0 3.410 3.410 2.239 -0.000 -0.000 -0.000 3/32928 280.0 3.288 3.288 2.159 -0.000 -0.000 -0.000 3/32928 290.0 3.175 3.175 2.084 -0.000 -0.000 -0.000 3/32928 300.0 3.070 3.070 2.014 -0.000 -0.000 -0.000 3/32928 310.0 2.971 2.971 1.949 -0.000 -0.000 -0.000 3/32928 320.0 2.879 2.879 1.888 -0.000 -0.000 -0.000 3/32928 330.0 2.792 2.792 1.830 -0.000 -0.000 -0.000 3/32928 340.0 2.711 2.711 1.776 -0.000 -0.000 -0.000 3/32928 350.0 2.634 2.634 1.725 -0.000 -0.000 -0.000 3/32928 360.0 2.561 2.561 1.677 -0.000 -0.000 -0.000 3/32928 370.0 2.492 2.492 1.632 -0.000 -0.000 -0.000 3/32928 380.0 2.427 2.427 1.589 -0.000 -0.000 -0.000 3/32928 390.0 2.365 2.365 1.548 -0.000 -0.000 -0.000 3/32928 400.0 2.306 2.306 1.510 -0.000 -0.000 -0.000 3/32928 410.0 2.250 2.250 1.473 -0.000 -0.000 -0.000 3/32928 420.0 2.197 2.197 1.438 -0.000 -0.000 -0.000 3/32928 430.0 2.146 2.146 1.404 -0.000 -0.000 -0.000 3/32928 440.0 2.098 2.098 1.372 -0.000 -0.000 -0.000 3/32928 450.0 2.052 2.052 1.342 -0.000 -0.000 -0.000 3/32928 460.0 2.007 2.007 1.313 -0.000 -0.000 -0.000 3/32928 470.0 1.965 1.965 1.285 -0.000 -0.000 -0.000 3/32928 480.0 1.924 1.924 1.258 -0.000 -0.000 -0.000 3/32928 490.0 1.885 1.885 1.232 -0.000 -0.000 -0.000 3/32928 500.0 1.848 1.848 1.208 -0.000 -0.000 -0.000 3/32928 510.0 1.812 1.812 1.184 -0.000 -0.000 -0.000 3/32928 520.0 1.777 1.777 1.162 -0.000 -0.000 -0.000 3/32928 530.0 1.744 1.744 1.140 -0.000 -0.000 -0.000 3/32928 540.0 1.712 1.712 1.119 -0.000 -0.000 -0.000 3/32928 550.0 1.681 1.681 1.098 -0.000 -0.000 -0.000 3/32928 560.0 1.651 1.651 1.079 -0.000 -0.000 -0.000 3/32928 570.0 1.622 1.622 1.060 -0.000 -0.000 -0.000 3/32928 580.0 1.594 1.594 1.042 -0.000 -0.000 -0.000 3/32928 590.0 1.568 1.568 1.024 -0.000 -0.000 -0.000 3/32928 600.0 1.542 1.542 1.007 -0.000 -0.000 -0.000 3/32928 610.0 1.516 1.516 0.990 -0.000 -0.000 -0.000 3/32928 620.0 1.492 1.492 0.975 -0.000 -0.000 -0.000 3/32928 630.0 1.469 1.469 0.959 -0.000 -0.000 -0.000 3/32928 640.0 1.446 1.446 0.944 -0.000 -0.000 -0.000 3/32928 650.0 1.424 1.424 0.930 -0.000 -0.000 -0.000 3/32928 660.0 1.402 1.402 0.916 -0.000 -0.000 -0.000 3/32928 670.0 1.381 1.381 0.902 -0.000 -0.000 -0.000 3/32928 680.0 1.361 1.361 0.889 -0.000 -0.000 -0.000 3/32928 690.0 1.342 1.342 0.876 -0.000 -0.000 -0.000 3/32928 700.0 1.323 1.323 0.863 -0.000 -0.000 -0.000 3/32928 710.0 1.304 1.304 0.851 -0.000 -0.000 -0.000 3/32928 720.0 1.286 1.286 0.839 -0.000 -0.000 -0.000 3/32928 730.0 1.269 1.269 0.828 -0.000 -0.000 -0.000 3/32928 740.0 1.251 1.251 0.817 -0.000 -0.000 -0.000 3/32928 750.0 1.235 1.235 0.806 -0.000 -0.000 -0.000 3/32928 760.0 1.219 1.219 0.795 -0.000 -0.000 -0.000 3/32928 770.0 1.203 1.203 0.785 -0.000 -0.000 -0.000 3/32928 780.0 1.188 1.188 0.775 -0.000 -0.000 -0.000 3/32928 790.0 1.173 1.173 0.765 -0.000 -0.000 -0.000 3/32928 800.0 1.158 1.158 0.756 -0.000 -0.000 -0.000 3/32928 810.0 1.144 1.144 0.746 -0.000 -0.000 -0.000 3/32928 820.0 1.130 1.130 0.737 -0.000 -0.000 -0.000 3/32928 830.0 1.116 1.116 0.729 -0.000 -0.000 -0.000 3/32928 840.0 1.103 1.103 0.720 -0.000 -0.000 -0.000 3/32928 850.0 1.090 1.090 0.711 -0.000 -0.000 -0.000 3/32928 860.0 1.078 1.078 0.703 -0.000 -0.000 -0.000 3/32928 870.0 1.065 1.065 0.695 -0.000 -0.000 -0.000 3/32928 880.0 1.053 1.053 0.687 -0.000 -0.000 -0.000 3/32928 890.0 1.042 1.042 0.680 -0.000 -0.000 -0.000 3/32928 900.0 1.030 1.030 0.672 -0.000 -0.000 -0.000 3/32928 910.0 1.019 1.019 0.665 -0.000 -0.000 -0.000 3/32928 920.0 1.008 1.008 0.657 -0.000 -0.000 -0.000 3/32928 930.0 0.997 0.997 0.650 -0.000 -0.000 -0.000 3/32928 940.0 0.986 0.986 0.643 -0.000 -0.000 -0.000 3/32928 950.0 0.976 0.976 0.637 -0.000 -0.000 -0.000 3/32928 960.0 0.966 0.966 0.630 -0.000 -0.000 -0.000 3/32928 970.0 0.956 0.956 0.624 -0.000 -0.000 -0.000 3/32928 980.0 0.946 0.946 0.617 -0.000 -0.000 -0.000 3/32928 990.0 0.937 0.937 0.611 -0.000 -0.000 -0.000 3/32928 1000.0 0.928 0.928 0.605 -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 23:46:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|