----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:38:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.847333239958685 1.066558343373088 6.211812893333327 b -1.847333239958682 1.066558343373088 6.211812893333327 c 0.000000000000002 -2.133116686746180 6.211812893333327 Atomic positions (fractional): *1 O 0.23014575515770 0.23014575515770 0.23014575515770 15.999 2 O 0.76985424484230 0.76985424484230 0.76985424484230 15.999 *3 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 *4 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.694666479917368 0.000000000000000 0.000000000000000 b -1.847333239958684 3.199675030119268 0.000000000000000 c 0.000000000000000 0.000000000000000 18.635438680000000 Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.23014575515770 15.999 > 1 2 O 0.66666666666667 0.33333333333333 0.10318757817563 15.999 > 2 3 O 0.66666666666667 0.33333333333333 0.56347908849103 15.999 > 1 4 O 0.33333333333333 0.66666666666667 0.43652091150897 15.999 > 2 5 O 0.33333333333333 0.66666666666667 0.89681242182437 15.999 > 1 6 O 0.00000000000000 0.00000000000000 0.76985424484230 15.999 > 2 *7 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 3 8 K 0.66666666666667 0.33333333333333 0.33333333333333 39.098 > 3 9 K 0.33333333333333 0.66666666666667 0.66666666666667 39.098 > 3 *10 La 0.33333333333333 0.66666666666667 0.16666666666667 138.905 > 4 11 La 0.00000000000000 0.00000000000000 0.50000000000000 138.905 > 4 12 La 0.66666666666667 0.33333333333333 0.83333333333333 138.905 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.083999439752104 0.000000000000000 0.000000000000000 b -5.541999719876052 9.599025090357804 0.000000000000000 c 0.000000000000000 0.000000000000000 18.635438680000000 Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.23014575515770 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.23014575515770 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.23014575515770 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.23014575515770 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.23014575515770 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.23014575515770 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.23014575515770 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.23014575515770 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.23014575515770 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.10318757817563 15.999 > 2 11 O 0.55555555555556 0.11111111111111 0.10318757817563 15.999 > 2 12 O 0.88888888888889 0.11111111111111 0.10318757817563 15.999 > 2 13 O 0.22222222222222 0.44444444444444 0.10318757817563 15.999 > 2 14 O 0.55555555555556 0.44444444444444 0.10318757817563 15.999 > 2 15 O 0.88888888888889 0.44444444444444 0.10318757817563 15.999 > 2 16 O 0.22222222222222 0.77777777777778 0.10318757817563 15.999 > 2 17 O 0.55555555555556 0.77777777777778 0.10318757817563 15.999 > 2 18 O 0.88888888888889 0.77777777777778 0.10318757817563 15.999 > 2 19 O 0.22222222222222 0.11111111111111 0.56347908849103 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.56347908849103 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.56347908849103 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.56347908849103 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.56347908849103 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.56347908849103 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.56347908849103 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.56347908849103 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.56347908849103 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.43652091150897 15.999 > 2 29 O 0.44444444444444 0.22222222222222 0.43652091150897 15.999 > 2 30 O 0.77777777777778 0.22222222222222 0.43652091150897 15.999 > 2 31 O 0.11111111111111 0.55555555555556 0.43652091150897 15.999 > 2 32 O 0.44444444444444 0.55555555555556 0.43652091150897 15.999 > 2 33 O 0.77777777777778 0.55555555555556 0.43652091150897 15.999 > 2 34 O 0.11111111111111 0.88888888888889 0.43652091150897 15.999 > 2 35 O 0.44444444444444 0.88888888888889 0.43652091150897 15.999 > 2 36 O 0.77777777777778 0.88888888888889 0.43652091150897 15.999 > 2 37 O 0.11111111111111 0.22222222222222 0.89681242182437 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.89681242182437 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.89681242182437 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.89681242182437 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.89681242182437 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.89681242182437 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.89681242182437 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.89681242182437 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.89681242182437 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.76985424484230 15.999 > 2 47 O 0.33333333333333 0.00000000000000 0.76985424484230 15.999 > 2 48 O 0.66666666666667 0.00000000000000 0.76985424484230 15.999 > 2 49 O 0.00000000000000 0.33333333333333 0.76985424484230 15.999 > 2 50 O 0.33333333333333 0.33333333333333 0.76985424484230 15.999 > 2 51 O 0.66666666666667 0.33333333333333 0.76985424484230 15.999 > 2 52 O 0.00000000000000 0.66666666666667 0.76985424484230 15.999 > 2 53 O 0.33333333333333 0.66666666666667 0.76985424484230 15.999 > 2 54 O 0.66666666666667 0.66666666666667 0.76985424484230 15.999 > 2 *55 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 3 56 K 0.33333333333333 0.00000000000000 0.00000000000000 39.098 > 3 57 K 0.66666666666667 0.00000000000000 0.00000000000000 39.098 > 3 58 K 0.00000000000000 0.33333333333333 0.00000000000000 39.098 > 3 59 K 0.33333333333333 0.33333333333333 0.00000000000000 39.098 > 3 60 K 0.66666666666667 0.33333333333333 0.00000000000000 39.098 > 3 61 K 0.00000000000000 0.66666666666667 0.00000000000000 39.098 > 3 62 K 0.33333333333333 0.66666666666667 0.00000000000000 39.098 > 3 63 K 0.66666666666667 0.66666666666667 0.00000000000000 39.098 > 3 64 K 0.22222222222222 0.11111111111111 0.33333333333333 39.098 > 3 65 K 0.55555555555556 0.11111111111111 0.33333333333333 39.098 > 3 66 K 0.88888888888889 0.11111111111111 0.33333333333333 39.098 > 3 67 K 0.22222222222222 0.44444444444444 0.33333333333333 39.098 > 3 68 K 0.55555555555556 0.44444444444444 0.33333333333333 39.098 > 3 69 K 0.88888888888889 0.44444444444444 0.33333333333333 39.098 > 3 70 K 0.22222222222222 0.77777777777778 0.33333333333333 39.098 > 3 71 K 0.55555555555556 0.77777777777778 0.33333333333333 39.098 > 3 72 K 0.88888888888889 0.77777777777778 0.33333333333333 39.098 > 3 73 K 0.11111111111111 0.22222222222222 0.66666666666667 39.098 > 3 74 K 0.44444444444444 0.22222222222222 0.66666666666667 39.098 > 3 75 K 0.77777777777778 0.22222222222222 0.66666666666667 39.098 > 3 76 K 0.11111111111111 0.55555555555556 0.66666666666667 39.098 > 3 77 K 0.44444444444444 0.55555555555556 0.66666666666667 39.098 > 3 78 K 0.77777777777778 0.55555555555556 0.66666666666667 39.098 > 3 79 K 0.11111111111111 0.88888888888889 0.66666666666667 39.098 > 3 80 K 0.44444444444444 0.88888888888889 0.66666666666667 39.098 > 3 81 K 0.77777777777778 0.88888888888889 0.66666666666667 39.098 > 3 *82 La 0.11111111111111 0.22222222222222 0.16666666666667 138.905 > 4 83 La 0.44444444444444 0.22222222222222 0.16666666666667 138.905 > 4 84 La 0.77777777777778 0.22222222222222 0.16666666666667 138.905 > 4 85 La 0.11111111111111 0.55555555555556 0.16666666666667 138.905 > 4 86 La 0.44444444444444 0.55555555555556 0.16666666666667 138.905 > 4 87 La 0.77777777777778 0.55555555555556 0.16666666666667 138.905 > 4 88 La 0.11111111111111 0.88888888888889 0.16666666666667 138.905 > 4 89 La 0.44444444444444 0.88888888888889 0.16666666666667 138.905 > 4 90 La 0.77777777777778 0.88888888888889 0.16666666666667 138.905 > 4 91 La 0.00000000000000 0.00000000000000 0.50000000000000 138.905 > 4 92 La 0.33333333333333 0.00000000000000 0.50000000000000 138.905 > 4 93 La 0.66666666666667 0.00000000000000 0.50000000000000 138.905 > 4 94 La 0.00000000000000 0.33333333333333 0.50000000000000 138.905 > 4 95 La 0.33333333333333 0.33333333333333 0.50000000000000 138.905 > 4 96 La 0.66666666666667 0.33333333333333 0.50000000000000 138.905 > 4 97 La 0.00000000000000 0.66666666666667 0.50000000000000 138.905 > 4 98 La 0.33333333333333 0.66666666666667 0.50000000000000 138.905 > 4 99 La 0.66666666666667 0.66666666666667 0.50000000000000 138.905 > 4 100 La 0.22222222222222 0.11111111111111 0.83333333333333 138.905 > 4 101 La 0.55555555555556 0.11111111111111 0.83333333333333 138.905 > 4 102 La 0.88888888888889 0.11111111111111 0.83333333333333 138.905 > 4 103 La 0.22222222222222 0.44444444444444 0.83333333333333 138.905 > 4 104 La 0.55555555555556 0.44444444444444 0.83333333333333 138.905 > 4 105 La 0.88888888888889 0.44444444444444 0.83333333333333 138.905 > 4 106 La 0.22222222222222 0.77777777777778 0.83333333333333 138.905 > 4 107 La 0.55555555555556 0.77777777777778 0.83333333333333 138.905 > 4 108 La 0.88888888888889 0.77777777777778 0.83333333333333 138.905 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0040501 -0.0000000 0.0000000 0.0000000 4.0040501 0.0000000 0.0000000 0.0000000 3.2131886 -------------------------- Born effective charges -------------------------- 1 O -2.7709340 0.0000000 0.0000000 0.0000000 -2.7709340 0.0000000 0.0000000 0.0000000 -1.9243310 2 O -2.7709340 0.0000000 0.0000000 0.0000000 -2.7709340 0.0000000 0.0000000 0.0000000 -1.9243310 3 K 1.0382014 -0.0000000 0.0000000 0.0000000 1.0382014 0.0000000 0.0000000 0.0000000 1.4866964 4 La 4.5036665 -0.0000000 0.0000000 0.0000000 4.5036665 0.0000000 0.0000000 0.0000000 2.3619656 ---------------------------------------------------------------------------- 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: 177 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 9 --- Eigsh_solver_block: 1 / 9 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 9 --- Block_size: 58 Use standard eigh solver. --- Eigsh_solver_block: 3 / 9 --- Block_size: 54 Use standard eigh solver. --- Eigsh_solver_block: 4 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 9 --- 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 |-- (1, 1), data: True |-- (1, 1), data: True |-- (54, 51), data: True |-- (58, 58), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.005 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: 177 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 9 --- Eigsh_solver_block: 1 / 9 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 9 --- Block_size: 58 Use standard eigh solver. --- Eigsh_solver_block: 3 / 9 --- Block_size: 54 Use standard eigh solver. --- Eigsh_solver_block: 4 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 9 --- 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 |-- (1, 1), data: True |-- (1, 1), data: True |-- (54, 51), data: True |-- (58, 58), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:38:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:38:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.847333239958685 1.066558343373088 6.211812893333327 b -1.847333239958682 1.066558343373088 6.211812893333327 c 0.000000000000002 -2.133116686746180 6.211812893333327 Atomic positions (fractional): 1 O 0.23014575515770 0.23014575515770 0.23014575515770 15.999 2 O 0.76985424484230 0.76985424484230 0.76985424484230 15.999 3 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 4 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.083999439752104 0.000000000000000 0.000000000000000 b -5.541999719876052 9.599025090357804 0.000000000000000 c 0.000000000000000 0.000000000000000 18.635438680000000 Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.23014575515770 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.23014575515770 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.23014575515770 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.23014575515770 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.23014575515770 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.23014575515770 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.23014575515770 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.23014575515770 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.23014575515770 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.10318757817563 15.999 > 10 11 O 0.55555555555556 0.11111111111111 0.10318757817563 15.999 > 10 12 O 0.88888888888889 0.11111111111111 0.10318757817563 15.999 > 10 13 O 0.22222222222222 0.44444444444444 0.10318757817563 15.999 > 10 14 O 0.55555555555556 0.44444444444444 0.10318757817563 15.999 > 10 15 O 0.88888888888889 0.44444444444444 0.10318757817563 15.999 > 10 16 O 0.22222222222222 0.77777777777778 0.10318757817563 15.999 > 10 17 O 0.55555555555556 0.77777777777778 0.10318757817563 15.999 > 10 18 O 0.88888888888889 0.77777777777778 0.10318757817563 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.56347908849103 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.56347908849103 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.56347908849103 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.56347908849103 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.56347908849103 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.56347908849103 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.56347908849103 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.56347908849103 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.56347908849103 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.43652091150897 15.999 > 10 29 O 0.44444444444444 0.22222222222222 0.43652091150897 15.999 > 10 30 O 0.77777777777778 0.22222222222222 0.43652091150897 15.999 > 10 31 O 0.11111111111111 0.55555555555556 0.43652091150897 15.999 > 10 32 O 0.44444444444444 0.55555555555556 0.43652091150897 15.999 > 10 33 O 0.77777777777778 0.55555555555556 0.43652091150897 15.999 > 10 34 O 0.11111111111111 0.88888888888889 0.43652091150897 15.999 > 10 35 O 0.44444444444444 0.88888888888889 0.43652091150897 15.999 > 10 36 O 0.77777777777778 0.88888888888889 0.43652091150897 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.89681242182437 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.89681242182437 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.89681242182437 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.89681242182437 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.89681242182437 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.89681242182437 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.89681242182437 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.89681242182437 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.89681242182437 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.76985424484230 15.999 > 10 47 O 0.33333333333333 0.00000000000000 0.76985424484230 15.999 > 10 48 O 0.66666666666667 0.00000000000000 0.76985424484230 15.999 > 10 49 O 0.00000000000000 0.33333333333333 0.76985424484230 15.999 > 10 50 O 0.33333333333333 0.33333333333333 0.76985424484230 15.999 > 10 51 O 0.66666666666667 0.33333333333333 0.76985424484230 15.999 > 10 52 O 0.00000000000000 0.66666666666667 0.76985424484230 15.999 > 10 53 O 0.33333333333333 0.66666666666667 0.76985424484230 15.999 > 10 54 O 0.66666666666667 0.66666666666667 0.76985424484230 15.999 > 10 55 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 55 56 K 0.33333333333333 0.00000000000000 0.00000000000000 39.098 > 55 57 K 0.66666666666667 0.00000000000000 0.00000000000000 39.098 > 55 58 K 0.00000000000000 0.33333333333333 0.00000000000000 39.098 > 55 59 K 0.33333333333333 0.33333333333333 0.00000000000000 39.098 > 55 60 K 0.66666666666667 0.33333333333333 0.00000000000000 39.098 > 55 61 K 0.00000000000000 0.66666666666667 0.00000000000000 39.098 > 55 62 K 0.33333333333333 0.66666666666667 0.00000000000000 39.098 > 55 63 K 0.66666666666667 0.66666666666667 0.00000000000000 39.098 > 55 64 K 0.22222222222222 0.11111111111111 0.33333333333333 39.098 > 55 65 K 0.55555555555556 0.11111111111111 0.33333333333333 39.098 > 55 66 K 0.88888888888889 0.11111111111111 0.33333333333333 39.098 > 55 67 K 0.22222222222222 0.44444444444444 0.33333333333333 39.098 > 55 68 K 0.55555555555556 0.44444444444444 0.33333333333333 39.098 > 55 69 K 0.88888888888889 0.44444444444444 0.33333333333333 39.098 > 55 70 K 0.22222222222222 0.77777777777778 0.33333333333333 39.098 > 55 71 K 0.55555555555556 0.77777777777778 0.33333333333333 39.098 > 55 72 K 0.88888888888889 0.77777777777778 0.33333333333333 39.098 > 55 73 K 0.11111111111111 0.22222222222222 0.66666666666667 39.098 > 55 74 K 0.44444444444444 0.22222222222222 0.66666666666667 39.098 > 55 75 K 0.77777777777778 0.22222222222222 0.66666666666667 39.098 > 55 76 K 0.11111111111111 0.55555555555556 0.66666666666667 39.098 > 55 77 K 0.44444444444444 0.55555555555556 0.66666666666667 39.098 > 55 78 K 0.77777777777778 0.55555555555556 0.66666666666667 39.098 > 55 79 K 0.11111111111111 0.88888888888889 0.66666666666667 39.098 > 55 80 K 0.44444444444444 0.88888888888889 0.66666666666667 39.098 > 55 81 K 0.77777777777778 0.88888888888889 0.66666666666667 39.098 > 55 82 La 0.11111111111111 0.22222222222222 0.16666666666667 138.905 > 82 83 La 0.44444444444444 0.22222222222222 0.16666666666667 138.905 > 82 84 La 0.77777777777778 0.22222222222222 0.16666666666667 138.905 > 82 85 La 0.11111111111111 0.55555555555556 0.16666666666667 138.905 > 82 86 La 0.44444444444444 0.55555555555556 0.16666666666667 138.905 > 82 87 La 0.77777777777778 0.55555555555556 0.16666666666667 138.905 > 82 88 La 0.11111111111111 0.88888888888889 0.16666666666667 138.905 > 82 89 La 0.44444444444444 0.88888888888889 0.16666666666667 138.905 > 82 90 La 0.77777777777778 0.88888888888889 0.16666666666667 138.905 > 82 91 La 0.00000000000000 0.00000000000000 0.50000000000000 138.905 > 82 92 La 0.33333333333333 0.00000000000000 0.50000000000000 138.905 > 82 93 La 0.66666666666667 0.00000000000000 0.50000000000000 138.905 > 82 94 La 0.00000000000000 0.33333333333333 0.50000000000000 138.905 > 82 95 La 0.33333333333333 0.33333333333333 0.50000000000000 138.905 > 82 96 La 0.66666666666667 0.33333333333333 0.50000000000000 138.905 > 82 97 La 0.00000000000000 0.66666666666667 0.50000000000000 138.905 > 82 98 La 0.33333333333333 0.66666666666667 0.50000000000000 138.905 > 82 99 La 0.66666666666667 0.66666666666667 0.50000000000000 138.905 > 82 100 La 0.22222222222222 0.11111111111111 0.83333333333333 138.905 > 82 101 La 0.55555555555556 0.11111111111111 0.83333333333333 138.905 > 82 102 La 0.88888888888889 0.11111111111111 0.83333333333333 138.905 > 82 103 La 0.22222222222222 0.44444444444444 0.83333333333333 138.905 > 82 104 La 0.55555555555556 0.44444444444444 0.83333333333333 138.905 > 82 105 La 0.88888888888889 0.44444444444444 0.83333333333333 138.905 > 82 106 La 0.22222222222222 0.77777777777778 0.83333333333333 138.905 > 82 107 La 0.55555555555556 0.77777777777778 0.83333333333333 138.905 > 82 108 La 0.88888888888889 0.77777777777778 0.83333333333333 138.905 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0040501 -0.0000000 0.0000000 0.0000000 4.0040501 0.0000000 0.0000000 0.0000000 3.2131886 -------------------------- Born effective charges -------------------------- 1 O -2.7709340 0.0000000 0.0000000 0.0000000 -2.7709340 0.0000000 0.0000000 0.0000000 -1.9243310 2 O -2.7709340 0.0000000 0.0000000 0.0000000 -2.7709340 0.0000000 0.0000000 0.0000000 -1.9243310 3 K 1.0382014 -0.0000000 0.0000000 0.0000000 1.0382014 0.0000000 0.0000000 0.0000000 1.4866964 4 La 4.5036665 -0.0000000 0.0000000 0.0000000 4.5036665 0.0000000 0.0000000 0.0000000 2.3619656 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:38:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:38:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.847333239958685 1.066558343373088 6.211812893333327 b -1.847333239958682 1.066558343373088 6.211812893333327 c 0.000000000000002 -2.133116686746180 6.211812893333327 Atomic positions (fractional): 1 O 0.23014575515770 0.23014575515770 0.23014575515770 15.999 2 O 0.76985424484230 0.76985424484230 0.76985424484230 15.999 3 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 4 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.083999439752104 0.000000000000000 0.000000000000000 b -5.541999719876052 9.599025090357804 0.000000000000000 c 0.000000000000000 0.000000000000000 18.635438680000000 Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.23014575515770 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.23014575515770 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.23014575515770 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.23014575515770 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.23014575515770 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.23014575515770 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.23014575515770 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.23014575515770 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.23014575515770 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.10318757817563 15.999 > 10 11 O 0.55555555555556 0.11111111111111 0.10318757817563 15.999 > 10 12 O 0.88888888888889 0.11111111111111 0.10318757817563 15.999 > 10 13 O 0.22222222222222 0.44444444444444 0.10318757817563 15.999 > 10 14 O 0.55555555555556 0.44444444444444 0.10318757817563 15.999 > 10 15 O 0.88888888888889 0.44444444444444 0.10318757817563 15.999 > 10 16 O 0.22222222222222 0.77777777777778 0.10318757817563 15.999 > 10 17 O 0.55555555555556 0.77777777777778 0.10318757817563 15.999 > 10 18 O 0.88888888888889 0.77777777777778 0.10318757817563 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.56347908849103 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.56347908849103 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.56347908849103 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.56347908849103 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.56347908849103 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.56347908849103 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.56347908849103 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.56347908849103 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.56347908849103 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.43652091150897 15.999 > 10 29 O 0.44444444444444 0.22222222222222 0.43652091150897 15.999 > 10 30 O 0.77777777777778 0.22222222222222 0.43652091150897 15.999 > 10 31 O 0.11111111111111 0.55555555555556 0.43652091150897 15.999 > 10 32 O 0.44444444444444 0.55555555555556 0.43652091150897 15.999 > 10 33 O 0.77777777777778 0.55555555555556 0.43652091150897 15.999 > 10 34 O 0.11111111111111 0.88888888888889 0.43652091150897 15.999 > 10 35 O 0.44444444444444 0.88888888888889 0.43652091150897 15.999 > 10 36 O 0.77777777777778 0.88888888888889 0.43652091150897 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.89681242182437 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.89681242182437 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.89681242182437 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.89681242182437 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.89681242182437 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.89681242182437 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.89681242182437 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.89681242182437 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.89681242182437 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.76985424484230 15.999 > 10 47 O 0.33333333333333 0.00000000000000 0.76985424484230 15.999 > 10 48 O 0.66666666666667 0.00000000000000 0.76985424484230 15.999 > 10 49 O 0.00000000000000 0.33333333333333 0.76985424484230 15.999 > 10 50 O 0.33333333333333 0.33333333333333 0.76985424484230 15.999 > 10 51 O 0.66666666666667 0.33333333333333 0.76985424484230 15.999 > 10 52 O 0.00000000000000 0.66666666666667 0.76985424484230 15.999 > 10 53 O 0.33333333333333 0.66666666666667 0.76985424484230 15.999 > 10 54 O 0.66666666666667 0.66666666666667 0.76985424484230 15.999 > 10 55 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 55 56 K 0.33333333333333 0.00000000000000 0.00000000000000 39.098 > 55 57 K 0.66666666666667 0.00000000000000 0.00000000000000 39.098 > 55 58 K 0.00000000000000 0.33333333333333 0.00000000000000 39.098 > 55 59 K 0.33333333333333 0.33333333333333 0.00000000000000 39.098 > 55 60 K 0.66666666666667 0.33333333333333 0.00000000000000 39.098 > 55 61 K 0.00000000000000 0.66666666666667 0.00000000000000 39.098 > 55 62 K 0.33333333333333 0.66666666666667 0.00000000000000 39.098 > 55 63 K 0.66666666666667 0.66666666666667 0.00000000000000 39.098 > 55 64 K 0.22222222222222 0.11111111111111 0.33333333333333 39.098 > 55 65 K 0.55555555555556 0.11111111111111 0.33333333333333 39.098 > 55 66 K 0.88888888888889 0.11111111111111 0.33333333333333 39.098 > 55 67 K 0.22222222222222 0.44444444444444 0.33333333333333 39.098 > 55 68 K 0.55555555555556 0.44444444444444 0.33333333333333 39.098 > 55 69 K 0.88888888888889 0.44444444444444 0.33333333333333 39.098 > 55 70 K 0.22222222222222 0.77777777777778 0.33333333333333 39.098 > 55 71 K 0.55555555555556 0.77777777777778 0.33333333333333 39.098 > 55 72 K 0.88888888888889 0.77777777777778 0.33333333333333 39.098 > 55 73 K 0.11111111111111 0.22222222222222 0.66666666666667 39.098 > 55 74 K 0.44444444444444 0.22222222222222 0.66666666666667 39.098 > 55 75 K 0.77777777777778 0.22222222222222 0.66666666666667 39.098 > 55 76 K 0.11111111111111 0.55555555555556 0.66666666666667 39.098 > 55 77 K 0.44444444444444 0.55555555555556 0.66666666666667 39.098 > 55 78 K 0.77777777777778 0.55555555555556 0.66666666666667 39.098 > 55 79 K 0.11111111111111 0.88888888888889 0.66666666666667 39.098 > 55 80 K 0.44444444444444 0.88888888888889 0.66666666666667 39.098 > 55 81 K 0.77777777777778 0.88888888888889 0.66666666666667 39.098 > 55 82 La 0.11111111111111 0.22222222222222 0.16666666666667 138.905 > 82 83 La 0.44444444444444 0.22222222222222 0.16666666666667 138.905 > 82 84 La 0.77777777777778 0.22222222222222 0.16666666666667 138.905 > 82 85 La 0.11111111111111 0.55555555555556 0.16666666666667 138.905 > 82 86 La 0.44444444444444 0.55555555555556 0.16666666666667 138.905 > 82 87 La 0.77777777777778 0.55555555555556 0.16666666666667 138.905 > 82 88 La 0.11111111111111 0.88888888888889 0.16666666666667 138.905 > 82 89 La 0.44444444444444 0.88888888888889 0.16666666666667 138.905 > 82 90 La 0.77777777777778 0.88888888888889 0.16666666666667 138.905 > 82 91 La 0.00000000000000 0.00000000000000 0.50000000000000 138.905 > 82 92 La 0.33333333333333 0.00000000000000 0.50000000000000 138.905 > 82 93 La 0.66666666666667 0.00000000000000 0.50000000000000 138.905 > 82 94 La 0.00000000000000 0.33333333333333 0.50000000000000 138.905 > 82 95 La 0.33333333333333 0.33333333333333 0.50000000000000 138.905 > 82 96 La 0.66666666666667 0.33333333333333 0.50000000000000 138.905 > 82 97 La 0.00000000000000 0.66666666666667 0.50000000000000 138.905 > 82 98 La 0.33333333333333 0.66666666666667 0.50000000000000 138.905 > 82 99 La 0.66666666666667 0.66666666666667 0.50000000000000 138.905 > 82 100 La 0.22222222222222 0.11111111111111 0.83333333333333 138.905 > 82 101 La 0.55555555555556 0.11111111111111 0.83333333333333 138.905 > 82 102 La 0.88888888888889 0.11111111111111 0.83333333333333 138.905 > 82 103 La 0.22222222222222 0.44444444444444 0.83333333333333 138.905 > 82 104 La 0.55555555555556 0.44444444444444 0.83333333333333 138.905 > 82 105 La 0.88888888888889 0.44444444444444 0.83333333333333 138.905 > 82 106 La 0.22222222222222 0.77777777777778 0.83333333333333 138.905 > 82 107 La 0.55555555555556 0.77777777777778 0.83333333333333 138.905 > 82 108 La 0.88888888888889 0.77777777777778 0.83333333333333 138.905 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0040501 -0.0000000 0.0000000 0.0000000 4.0040501 0.0000000 0.0000000 0.0000000 3.2131886 -------------------------- Born effective charges -------------------------- 1 O -2.7709340 0.0000000 0.0000000 0.0000000 -2.7709340 0.0000000 0.0000000 0.0000000 -1.9243310 2 O -2.7709340 0.0000000 0.0000000 0.0000000 -2.7709340 0.0000000 0.0000000 0.0000000 -1.9243310 3 K 1.0382014 -0.0000000 0.0000000 0.0000000 1.0382014 0.0000000 0.0000000 0.0000000 1.4866964 4 La 4.5036665 -0.0000000 0.0000000 0.0000000 4.5036665 0.0000000 0.0000000 0.0000000 2.3619656 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 16 16 16 ] 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: 0.99, Number of G-points: 325, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/417) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 417 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 2.718 ( 0.000 0.000 0.000) 0.000 2.718 ( 0.000 0.000 0.000) 0.000 5.200 ( 0.000 0.000 0.000) 0.000 6.243 ( 0.000 0.000 0.000) 0.000 6.243 ( 0.000 0.000 0.000) 0.000 8.472 ( 0.000 0.000 0.000) 0.000 8.472 ( 0.000 0.000 0.000) 0.000 8.785 ( 0.000 0.000 0.000) 0.000 12.395 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/417) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( 20.145 11.631 9.569) 25.153 0.586 ( 25.379 14.652 3.843) 29.556 1.133 ( 49.041 28.314 2.658) 56.690 2.737 ( 1.842 1.064 -1.150) 2.418 2.844 ( 9.947 5.743 0.215) 11.488 5.198 ( -0.948 -0.547 2.084) 2.354 6.270 ( 2.337 1.349 0.271) 2.712 8.227 ( -14.738 -8.509 -0.862) 17.040 8.439 ( -2.867 -1.655 -0.036) 3.311 8.966 ( 13.963 8.062 -15.154) 22.127 12.259 ( -11.781 -6.802 1.296) 13.665 14.421 ( 2.098 1.211 -23.134) 23.261 ======================= Grid point 2 (3/417) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 20.101 11.605 7.800) 24.487 1.168 ( 24.947 14.403 3.914) 29.071 2.204 ( 44.303 25.578 2.035) 51.197 2.792 ( 3.455 1.995 -2.207) 4.559 3.168 ( 18.661 10.774 0.607) 21.557 5.172 ( -1.761 -1.017 -0.457) 2.084 6.351 ( 4.726 2.729 0.328) 5.467 7.895 ( -13.847 -7.994 -0.302) 15.991 8.350 ( -4.754 -2.745 0.023) 5.490 9.192 ( 8.785 5.072 -7.305) 12.501 11.903 ( -19.878 -11.477 4.250) 23.344 14.355 ( -2.576 -1.487 -15.061) 15.352 ======================= Grid point 3 (4/417) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 19.559 11.293 6.063) 23.385 1.729 ( 23.330 13.470 4.066) 27.244 2.876 ( 4.718 2.724 -3.131) 6.283 3.078 ( 31.269 18.053 1.179) 36.125 3.711 ( 29.675 17.133 0.808) 34.276 5.111 ( -3.374 -1.948 -2.182) 4.465 6.481 ( 6.500 3.753 0.068) 7.505 7.621 ( -9.870 -5.699 -0.936) 11.436 8.239 ( -4.681 -2.703 0.240) 5.410 9.292 ( 1.430 0.826 -4.932) 5.201 11.423 ( -24.080 -13.903 8.872) 29.187 14.202 ( -6.355 -3.669 -14.735) 16.461 ======================= Grid point 4 (5/417) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 18.255 10.539 4.981) 21.659 2.232 ( 19.694 11.370 4.295) 23.142 2.982 ( 5.784 3.340 -3.904) 7.737 3.643 ( 20.242 11.687 0.856) 23.390 4.445 ( 32.727 18.895 -0.703) 37.796 5.003 ( -5.379 -3.105 -2.608) 6.736 6.629 ( 6.323 3.650 -0.415) 7.313 7.461 ( -3.553 -2.052 -1.475) 4.360 8.161 ( -1.976 -1.141 0.575) 2.353 9.210 ( -7.165 -4.137 -5.992) 10.215 10.894 ( -25.921 -14.965 13.447) 32.813 13.992 ( -7.230 -4.174 -14.642) 16.855 ======================= Grid point 5 (6/417) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 16.150 9.324 4.500) 19.183 2.626 ( 13.564 7.831 4.236) 16.226 3.113 ( 7.119 4.110 -4.173) 9.219 4.042 ( 15.185 8.767 0.610) 17.545 4.836 ( -5.971 -3.448 -7.911) 10.494 5.118 ( 23.893 13.795 2.964) 27.748 6.745 ( 3.882 2.241 -0.792) 4.552 7.464 ( 4.370 2.523 -1.529) 5.273 8.167 ( 2.367 1.367 0.802) 2.849 8.944 ( -13.534 -7.814 -7.730) 17.435 10.341 ( -27.436 -15.840 14.336) 34.773 13.807 ( -4.698 -2.712 -12.062) 13.225 ======================= Grid point 6 (7/417) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( 13.032 7.524 4.071) 15.589 2.865 ( 6.800 3.926 2.914) 8.375 3.271 ( 7.514 4.338 -2.990) 9.177 4.334 ( 10.514 6.070 -0.184) 12.141 4.655 ( -7.374 -4.257 -4.877) 9.812 5.566 ( 15.175 8.761 -0.139) 17.523 6.799 ( 1.351 0.780 -0.770) 1.739 7.639 ( 10.953 6.323 -1.509) 12.737 8.259 ( 4.929 2.846 0.704) 5.735 8.600 ( -13.364 -7.716 -6.579) 16.776 9.751 ( -28.329 -16.356 10.368) 34.315 13.707 ( -1.334 -0.770 -7.556) 7.712 ======================= Grid point 7 (8/417) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( 7.948 4.589 2.788) 9.591 2.974 ( 2.652 1.531 1.220) 3.297 3.406 ( 4.579 2.644 -1.295) 5.444 4.460 ( -2.366 -1.366 -4.713) 5.448 4.546 ( 2.457 1.419 1.426) 3.175 5.813 ( 7.157 4.132 -0.592) 8.286 6.813 ( 0.246 0.142 -0.440) 0.523 7.886 ( 8.893 5.134 -2.748) 10.630 8.365 ( 3.715 2.145 0.381) 4.306 8.388 ( -1.111 -0.642 -1.711) 2.139 9.156 ( -25.959 -14.987 4.857) 30.366 13.681 ( 0.231 0.133 -3.309) 3.320 ======================= Grid point 8 (9/417) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( 0.000 0.000 0.000) 0.000 3.005 ( 0.000 0.000 0.000) 0.000 3.456 ( 0.000 0.000 0.000) 0.000 4.401 ( 0.000 0.000 0.000) 0.000 4.595 ( 0.000 0.000 -0.000) 0.000 5.892 ( 0.000 0.000 0.000) 0.000 6.814 ( 0.000 0.000 0.000) 0.000 7.956 ( 0.000 0.000 0.000) 0.000 8.410 ( 0.000 0.000 0.000) 0.000 8.551 ( -0.000 -0.000 -0.000) 0.000 8.711 ( 0.000 0.000 0.000) 0.000 13.680 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 18 (10/417) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -0.000 21.147 16.007) 26.522 0.593 ( 0.000 28.395 5.252) 28.876 1.158 ( 0.000 55.936 7.624) 56.453 2.742 ( 0.000 2.468 -0.248) 2.481 2.834 ( 0.000 11.110 -1.817) 11.258 5.204 ( -0.000 -2.539 3.169) 4.060 6.271 ( 0.000 2.716 0.494) 2.761 8.206 ( 0.000 -15.484 -5.458) 16.417 8.436 ( -0.000 -3.401 -0.539) 3.444 8.908 ( 0.000 22.076 -24.521) 32.995 12.262 ( -0.000 -13.918 1.765) 14.030 14.319 ( 0.000 12.031 -38.950) 40.765 ======================= Grid point 19 (11/417) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 10.936 18.192 12.937) 24.858 1.039 ( 15.534 25.137 4.958) 29.963 1.950 ( 25.356 46.086 5.807) 52.921 2.780 ( 1.206 4.182 -1.491) 4.601 3.045 ( 10.130 14.993 -1.412) 18.150 5.179 ( -0.921 -1.949 -0.228) 2.168 6.327 ( 2.352 4.197 0.722) 4.865 7.973 ( -7.612 -14.353 -1.538) 16.320 8.373 ( -2.254 -4.476 -0.616) 5.050 9.095 ( 6.750 12.285 -13.569) 19.510 12.020 ( -9.750 -18.929 3.571) 21.590 14.311 ( 0.200 3.074 -22.738) 22.946 ======================= Grid point 20 (12/417) ======================= q-point: ( 0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 14.593 15.041 9.264) 22.913 1.581 ( 17.981 23.149 4.608) 29.672 2.818 ( 26.631 31.739 3.832) 41.608 2.855 ( 2.664 6.563 -2.612) 7.549 3.463 ( 20.539 19.704 -0.988) 28.480 5.129 ( -2.210 -2.327 -2.097) 3.834 6.437 ( 4.477 5.859 0.726) 7.409 7.700 ( -8.795 -10.626 -1.079) 13.836 8.279 ( -3.371 -3.997 -0.399) 5.244 9.236 ( 4.167 3.678 -8.297) 9.987 11.619 ( -15.774 -21.308 7.398) 27.524 14.213 ( -4.647 -1.508 -17.572) 18.239 ======================= Grid point 21 (13/417) ======================= q-point: ( 0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 16.000 12.022 6.498) 21.042 2.109 ( 16.492 21.249 4.365) 27.250 2.959 ( 2.898 8.429 -3.903) 9.730 3.452 ( 18.899 17.762 2.742) 26.080 4.117 ( 29.418 23.857 -1.753) 37.916 5.043 ( -3.946 -2.929 -2.370) 5.456 6.589 ( 5.193 7.507 0.431) 9.138 7.486 ( -5.211 -6.806 -1.589) 8.718 8.194 ( -2.790 -1.707 -0.009) 3.271 9.229 ( -2.417 -3.353 -7.452) 8.522 11.143 ( -19.027 -21.792 12.131) 31.370 14.022 ( -7.413 -3.665 -16.222) 18.209 ======================= Grid point 22 (14/417) ======================= q-point: ( 0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 16.125 8.669 4.745) 18.913 2.563 ( 12.014 18.200 4.028) 22.176 3.092 ( 3.292 11.170 -4.559) 12.506 3.882 ( 15.107 11.340 2.232) 19.021 4.752 ( 16.537 10.190 -12.636) 23.173 4.978 ( 4.162 5.278 7.285) 9.912 6.744 ( 3.133 8.697 -0.104) 9.245 7.397 ( 1.629 -3.379 -1.849) 4.182 8.169 ( 0.046 1.823 0.535) 1.901 9.039 ( -9.720 -7.910 -8.822) 15.326 10.633 ( -21.895 -21.270 14.512) 33.800 13.814 ( -5.851 -4.058 -13.861) 15.583 ======================= Grid point 23 (15/417) ======================= q-point: ( 0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 14.968 4.771 3.477) 16.090 2.880 ( 5.337 14.284 2.612) 15.471 3.261 ( 3.632 14.045 -3.790) 14.993 4.209 ( 11.822 7.364 1.694) 14.031 4.702 ( -5.438 -4.325 -8.443) 10.934 5.395 ( 16.922 12.317 2.627) 21.094 6.853 ( -0.799 9.640 -0.552) 9.689 7.466 ( 9.766 -1.567 -1.780) 10.050 8.236 ( 3.159 5.133 1.042) 6.116 8.726 ( -12.872 -8.241 -8.636) 17.555 10.076 ( -25.458 -19.873 11.884) 34.414 13.674 ( -1.387 -3.706 -9.302) 10.109 ======================= Grid point 24 (16/417) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 11.751 0.116 1.798) 11.888 3.058 ( 0.381 12.633 0.485) 12.648 3.437 ( 1.258 13.879 -1.832) 14.056 4.427 ( 6.161 3.598 -0.499) 7.152 4.548 ( -4.045 -3.185 -3.727) 6.356 5.716 ( 9.908 6.314 0.543) 11.761 6.908 ( -4.108 10.984 -0.568) 11.741 7.651 ( 14.296 -4.196 -2.077) 15.043 8.360 ( 3.416 5.902 1.181) 6.921 8.453 ( -7.788 -2.184 -5.317) 9.680 9.479 ( -26.954 -16.529 6.531) 32.286 13.626 ( 2.210 -3.734 -4.408) 6.185 ======================= Grid point 25 (17/417) ======================= q-point: ( 0.50 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( 6.124 -4.263 -0.808) 7.505 3.153 ( -3.335 11.338 -1.023) 11.862 3.543 ( -3.116 11.289 -0.170) 11.712 4.417 ( -2.190 0.361 -2.567) 3.393 4.569 ( 2.910 -0.450 1.177) 3.171 5.869 ( 3.599 1.562 0.326) 3.937 6.931 ( -6.170 12.058 -0.274) 13.548 7.785 ( 10.155 -10.682 -1.611) 14.826 8.379 ( 2.179 -0.249 -0.967) 2.397 8.539 ( 6.734 12.405 -0.014) 14.115 8.922 ( -23.813 -10.189 1.993) 25.978 13.629 ( 3.317 -4.220 -0.634) 5.405 ======================= Grid point 26 (18/417) ======================= q-point: (-0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( 0.082 -7.832 -3.599) 8.620 3.147 ( -8.237 8.764 -2.060) 12.202 3.551 ( -7.819 8.790 1.297) 11.836 4.439 ( 3.047 3.046 1.524) 4.570 4.562 ( -1.917 -3.308 -0.025) 3.824 5.872 ( -3.074 -2.380 0.957) 4.003 6.933 ( -7.142 11.468 0.123) 13.511 7.799 ( 5.473 -14.088 1.210) 15.163 8.391 ( -0.072 -0.915 1.404) 1.677 8.538 ( -14.783 0.369 -0.312) 14.791 8.894 ( 19.249 14.356 -3.439) 24.258 13.645 ( 3.165 -4.306 2.453) 5.880 ======================= Grid point 27 (19/417) ======================= q-point: (-0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( -6.108 -10.265 -5.432) 13.121 3.044 ( -11.611 6.343 -2.321) 13.433 3.460 ( -12.177 6.375 2.511) 13.973 4.433 ( -7.523 -5.572 0.722) 9.390 4.579 ( 7.373 3.859 2.279) 8.628 5.720 ( -10.825 -5.919 1.306) 12.407 6.913 ( -7.294 9.070 0.566) 11.653 7.668 ( -3.507 -14.778 1.308) 15.245 8.347 ( -7.071 -0.423 -1.195) 7.184 8.509 ( 7.479 7.492 5.665) 12.007 9.402 ( 25.762 13.759 -8.551) 30.432 13.678 ( 3.780 -2.957 5.789) 7.519 ======================= Grid point 28 (20/417) ======================= q-point: (-0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( -11.428 -10.593 -5.528) 16.533 2.852 ( -16.032 2.951 -2.979) 16.572 3.299 ( -13.405 4.172 3.553) 14.482 4.200 ( -12.492 -7.372 -0.136) 14.506 4.763 ( 8.254 3.638 3.356) 9.624 5.385 ( -20.572 -9.775 0.825) 22.791 6.860 ( -7.945 5.300 0.807) 9.584 7.482 ( -3.407 -9.153 1.252) 9.846 8.224 ( -5.742 -0.304 -1.235) 5.881 8.808 ( 13.831 7.833 7.363) 17.518 9.951 ( 28.298 11.506 -12.665) 33.069 13.768 ( 6.005 -0.061 9.194) 10.981 ======================= Grid point 29 (21/417) ======================= q-point: (-0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -15.668 -9.700 -4.769) 19.035 2.527 ( -22.380 -0.750 -3.152) 22.613 3.133 ( -11.285 2.606 3.548) 12.113 3.870 ( -17.496 -8.067 -0.254) 19.268 4.835 ( -30.936 -13.043 -0.317) 33.575 4.936 ( 7.003 2.591 3.203) 8.125 6.748 ( -9.216 1.174 0.617) 9.311 7.413 ( 2.143 -3.071 1.324) 3.972 8.161 ( -1.351 1.087 -0.946) 1.975 9.113 ( 11.107 4.546 5.539) 13.218 10.496 ( 29.234 9.291 -12.416) 33.093 13.940 ( 8.369 2.732 10.961) 14.059 ======================= Grid point 30 (22/417) ======================= q-point: (-0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -19.238 -8.023 -3.916) 21.209 2.074 ( -27.155 -3.148 -2.655) 27.466 2.992 ( -8.853 1.276 2.656) 9.330 3.438 ( -25.128 -8.247 -0.067) 26.447 4.121 ( -36.085 -12.916 -0.957) 38.338 5.065 ( 4.863 1.455 1.973) 5.446 6.588 ( -9.217 -1.180 0.214) 9.294 7.499 ( 8.365 1.012 0.919) 8.476 8.191 ( 3.043 1.914 -0.513) 3.631 9.283 ( 4.044 0.646 2.902) 5.020 11.040 ( 29.317 7.510 -8.098) 31.328 14.155 ( 8.512 3.407 9.829) 13.442 ======================= Grid point 31 (23/417) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -22.094 -5.291 -2.898) 22.903 1.549 ( -29.678 -3.429 -1.763) 29.928 2.797 ( -41.973 -8.402 -0.143) 42.806 2.876 ( -6.585 0.307 1.448) 6.749 3.464 ( -27.363 -6.782 -0.828) 28.203 5.143 ( 2.807 0.493 0.653) 2.924 6.433 ( -7.386 -1.189 -0.039) 7.481 7.707 ( 13.476 2.309 0.272) 13.675 8.280 ( 5.225 1.276 -0.170) 5.381 9.288 ( -3.607 -1.183 1.937) 4.262 11.564 ( 27.171 4.753 -3.279) 27.777 14.336 ( 6.094 1.929 6.352) 9.012 ======================= Grid point 32 (24/417) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -23.799 -0.000 0.000) 23.799 1.013 ( -30.386 -0.000 0.000) 30.386 1.920 ( -53.462 -0.000 0.000) 53.462 2.787 ( -4.229 -0.000 0.000) 4.229 3.053 ( -18.078 -0.000 0.000) 18.078 5.180 ( 1.375 0.000 -0.000) 1.375 6.323 ( -4.821 -0.000 0.000) 4.821 7.981 ( 16.761 0.000 -0.000) 16.761 8.376 ( 5.016 0.000 -0.000) 5.016 9.166 ( -10.092 -0.000 0.000) 10.092 12.002 ( 21.506 0.000 -0.000) 21.506 14.434 ( 3.018 0.000 -0.000) 3.018 ======================= Grid point 35 (25/417) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -0.000 20.392 13.464) 24.436 1.175 ( 0.000 27.582 4.476) 27.943 2.266 ( 0.000 51.333 7.812) 51.924 2.808 ( 0.000 4.573 -0.607) 4.613 3.124 ( 0.000 20.278 -3.700) 20.613 5.164 ( 0.000 -2.189 -1.165) 2.479 6.358 ( 0.000 5.675 0.994) 5.762 7.878 ( -0.000 -14.931 -1.905) 15.052 8.339 ( -0.000 -5.731 -1.009) 5.820 9.122 ( 0.000 12.087 -13.320) 17.987 11.896 ( -0.000 -24.727 3.487) 24.971 14.275 ( 0.000 3.919 -20.975) 21.338 ======================= Grid point 36 (26/417) ======================= q-point: ( 0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 6.192 18.152 11.001) 22.110 1.573 ( 12.644 25.748 4.071) 28.972 2.866 ( 8.116 28.895 3.625) 30.232 2.879 ( 5.577 18.317 1.876) 19.239 3.413 ( 9.871 25.323 -4.186) 27.499 5.128 ( -1.156 -2.219 -2.103) 3.269 6.446 ( 2.533 7.286 1.259) 7.816 7.696 ( -4.573 -12.365 -1.209) 13.238 8.266 ( -1.149 -5.516 -1.165) 5.753 9.194 ( 2.068 5.245 -10.580) 11.989 11.589 ( -6.865 -27.712 5.534) 29.081 14.215 ( -2.874 0.466 -16.948) 17.197 ======================= Grid point 37 (27/417) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 9.847 14.483 8.047) 19.274 2.077 ( 15.652 23.754 3.719) 28.689 2.993 ( 3.275 9.946 -3.018) 10.897 3.404 ( 11.582 23.264 4.873) 26.440 3.939 ( 20.404 29.972 -4.100) 36.490 5.067 ( -2.665 -1.911 -1.687) 3.688 6.595 ( 4.662 9.524 1.578) 10.721 7.497 ( -5.573 -8.673 -1.430) 10.408 8.199 ( -0.777 -3.402 -1.133) 3.669 9.194 ( -0.469 -2.307 -9.240) 9.535 11.185 ( -10.843 -28.352 9.369) 31.768 14.065 ( -7.115 -2.344 -15.080) 16.838 ======================= Grid point 38 (28/417) ======================= q-point: ( 0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 11.875 10.378 5.575) 16.727 2.560 ( 13.382 20.894 3.131) 25.009 3.157 ( 3.327 14.683 -4.189) 15.627 3.790 ( 11.433 14.461 3.950) 18.852 4.531 ( 19.044 18.038 -9.887) 28.032 5.023 ( -0.884 3.915 4.133) 5.761 6.788 ( 4.491 12.141 1.630) 13.047 7.350 ( -2.313 -5.572 -1.801) 6.296 8.179 ( 0.795 0.481 -0.842) 1.254 9.060 ( -5.740 -7.670 -9.967) 13.824 10.743 ( -13.622 -27.395 12.747) 33.144 13.848 ( -8.358 -3.862 -13.529) 16.365 ======================= Grid point 39 (29/417) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 12.492 6.135 3.604) 14.376 2.936 ( 7.951 17.003 1.578) 18.837 3.364 ( 3.009 19.201 -4.084) 19.859 4.108 ( 10.572 9.613 3.890) 14.809 4.684 ( -0.342 -2.671 -11.984) 12.283 5.284 ( 12.916 15.355 6.133) 20.981 6.973 ( 1.256 14.077 0.970) 14.166 7.312 ( 3.943 -3.623 -1.596) 5.587 8.238 ( 3.309 4.891 -0.131) 5.907 8.803 ( -9.934 -9.067 -10.354) 16.973 10.268 ( -17.551 -24.969 12.377) 32.935 13.647 ( -4.958 -4.801 -10.343) 12.435 ======================= Grid point 40 (30/417) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 11.281 1.924 1.538) 11.547 3.178 ( 2.365 15.258 -0.677) 15.455 3.584 ( 1.100 19.427 -2.454) 19.612 4.355 ( 7.771 6.284 3.424) 10.564 4.570 ( -4.017 -3.174 -7.661) 9.214 5.620 ( 10.097 8.571 2.641) 13.505 7.109 ( -2.311 15.473 0.112) 15.645 7.390 ( 9.206 -3.813 -1.038) 10.018 8.370 ( 3.862 7.146 0.895) 8.172 8.526 ( -8.232 -5.894 -8.532) 13.240 9.746 ( -21.702 -20.226 8.126) 30.759 13.530 ( 0.504 -5.930 -5.886) 8.370 ======================= Grid point 41 (31/417) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 7.673 -2.059 -1.123) 8.023 3.323 ( -1.936 14.726 -2.131) 15.004 3.740 ( -2.850 16.137 -0.380) 16.391 4.465 ( -3.463 1.326 -5.191) 6.380 4.513 ( 4.020 1.613 3.274) 5.430 5.811 ( 5.603 2.408 1.326) 6.242 7.204 ( -5.877 18.046 0.010) 18.979 7.498 ( 9.544 -8.261 -0.780) 12.647 8.352 ( -1.397 -1.884 -3.227) 3.989 8.545 ( 4.668 7.563 -0.319) 8.893 9.225 ( -22.155 -11.897 3.074) 25.334 13.498 ( 4.336 -7.110 -1.824) 8.525 ======================= Grid point 42 (32/417) ======================= q-point: (-0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 2.318 -5.471 -3.881) 7.097 3.376 ( -7.022 12.844 -2.848) 14.913 3.805 ( -6.760 13.597 2.037) 15.321 4.439 ( 0.276 2.176 -2.729) 3.501 4.559 ( -0.885 0.117 2.207) 2.381 5.873 ( 0.972 -1.834 1.281) 2.439 7.249 ( -10.798 19.039 0.278) 21.890 7.538 ( 8.127 -13.009 0.150) 15.340 8.365 ( 2.767 -0.530 0.632) 2.888 8.679 ( 1.589 -1.077 -0.082) 1.921 8.876 ( -8.268 7.263 -2.291) 11.241 13.514 ( 5.829 -7.458 1.311) 9.556 ======================= Grid point 43 (33/417) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( -3.133 -7.702 -5.492) 9.965 3.318 ( -11.766 10.141 -2.624) 15.753 3.784 ( -12.198 12.304 3.453) 17.666 4.458 ( -0.383 -4.618 -2.858) 5.444 4.541 ( 0.204 4.150 2.987) 5.117 5.812 ( -5.246 -4.560 1.613) 7.136 7.212 ( -12.870 14.884 0.811) 19.693 7.512 ( 3.782 -14.317 0.533) 14.818 8.414 ( 0.861 2.168 2.279) 3.261 8.561 ( -5.461 1.414 1.794) 5.920 9.117 ( 18.043 10.785 -7.277) 22.245 13.560 ( 6.669 -6.056 3.965) 9.842 ======================= Grid point 44 (34/417) ======================= q-point: (-0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( -7.876 -8.056 -5.395) 12.491 3.163 ( -15.522 6.900 -2.244) 17.134 3.652 ( -17.353 10.006 3.735) 20.376 4.307 ( -8.248 -6.661 -1.358) 10.688 4.669 ( 7.228 3.601 1.705) 8.253 5.605 ( -13.907 -6.507 1.533) 15.430 7.118 ( -12.819 9.621 1.094) 16.065 7.409 ( 0.035 -11.245 0.606) 11.261 8.342 ( -8.058 1.111 -1.811) 8.334 8.695 ( 10.511 6.400 7.486) 14.404 9.548 ( 25.082 7.405 -10.471) 28.171 13.658 ( 8.328 -2.900 6.092) 10.718 ======================= Grid point 45 (35/417) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -12.130 -6.634 -4.051) 14.407 2.903 ( -20.553 3.284 -1.942) 20.904 3.440 ( -17.928 6.625 3.136) 19.369 4.059 ( -12.975 -6.135 -0.822) 14.375 4.836 ( 8.077 2.418 0.855) 8.475 5.214 ( -24.759 -7.782 1.323) 25.987 6.970 ( -13.178 4.395 0.732) 13.911 7.339 ( 1.877 -5.606 0.854) 5.973 8.227 ( -5.513 1.204 -1.252) 5.780 8.976 ( 12.099 4.381 5.498) 13.993 10.030 ( 28.877 4.780 -9.621) 30.811 13.827 ( 10.318 0.301 6.595) 12.249 ======================= Grid point 46 (36/417) ======================= q-point: (-0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -16.267 -3.893 -2.147) 16.863 2.518 ( -26.237 0.610 -1.202) 26.271 3.217 ( -14.437 2.789 1.679) 14.799 3.746 ( -18.249 -3.738 -0.247) 18.630 4.637 ( -34.612 -5.660 -0.639) 35.077 4.984 ( 6.695 0.717 1.478) 6.894 6.773 ( -12.666 0.729 0.237) 12.689 7.376 ( 6.043 -1.237 0.582) 6.196 8.182 ( -0.711 1.065 -0.505) 1.377 9.192 ( 8.414 1.141 2.034) 8.731 10.552 ( 31.016 2.867 -4.960) 31.541 14.038 ( 10.846 1.365 4.491) 11.818 ======================= Grid point 47 (37/417) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -20.008 -0.000 0.000) 20.008 2.040 ( -29.585 -0.000 0.000) 29.585 3.024 ( -10.263 -0.000 0.000) 10.263 3.351 ( -27.256 -0.000 0.000) 27.256 3.981 ( -37.118 -0.000 0.000) 37.118 5.086 ( 4.574 0.000 -0.000) 4.574 6.578 ( -10.355 -0.000 0.000) 10.355 7.512 ( 10.269 0.000 -0.000) 10.269 8.211 ( 3.268 0.000 -0.000) 3.268 9.294 ( 2.711 0.000 -0.000) 2.711 11.085 ( 30.709 0.000 -0.000) 30.709 14.227 ( 9.136 0.000 -0.000) 9.136 ======================= Grid point 52 (38/417) ======================= q-point: ( 0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -0.000 18.005 9.792) 20.495 1.721 ( 0.000 25.333 3.498) 25.574 2.909 ( 0.000 6.194 -1.090) 6.289 3.191 ( -0.000 34.665 7.511) 35.469 3.600 ( 0.000 33.574 -6.112) 34.126 5.112 ( 0.000 -1.541 -1.941) 2.479 6.502 ( 0.000 7.973 1.324) 8.082 7.616 ( -0.000 -10.435 -0.982) 10.481 8.214 ( 0.000 -5.757 -1.248) 5.890 9.181 ( 0.000 2.068 -11.185) 11.374 11.369 ( -0.000 -31.520 5.399) 31.979 14.193 ( 0.000 0.044 -14.320) 14.320 ======================= Grid point 53 (39/417) ======================= q-point: ( 0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 3.576 15.210 7.603) 17.377 2.077 ( 11.510 22.896 2.906) 25.791 3.007 ( 4.159 8.217 -1.750) 9.374 3.527 ( 3.672 23.033 4.517) 23.757 4.004 ( 8.306 35.358 -5.867) 36.792 5.089 ( -1.308 0.548 -0.424) 1.481 6.620 ( 3.805 9.112 1.674) 10.015 7.494 ( -3.646 -7.140 -1.027) 8.082 8.159 ( 0.085 -4.069 -1.428) 4.313 9.140 ( -0.184 -3.415 -10.944) 11.466 11.036 ( -4.171 -32.766 7.396) 33.848 14.104 ( -4.691 -1.610 -12.328) 13.288 ======================= Grid point 54 (40/417) ======================= q-point: ( 0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 6.512 11.230 5.396) 14.059 2.524 ( 14.647 19.229 2.104) 24.263 3.200 ( 7.006 13.222 -2.767) 15.217 3.808 ( 5.758 16.104 3.291) 17.416 4.435 ( 10.269 20.183 -9.764) 24.661 5.109 ( -0.533 8.687 4.422) 9.762 6.821 ( 6.802 11.758 2.618) 13.834 7.358 ( -4.857 -4.228 -1.486) 6.609 8.142 ( 1.949 -1.055 -1.903) 2.921 9.024 ( -2.942 -7.700 -11.084) 13.814 10.655 ( -6.516 -32.203 10.206) 34.405 13.923 ( -8.881 -3.026 -11.169) 14.587 ======================= Grid point 55 (41/417) ======================= q-point: ( 0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 8.517 7.078 3.335) 11.566 2.928 ( 12.228 15.203 0.614) 19.520 3.468 ( 6.424 19.041 -3.429) 20.386 4.067 ( 7.960 10.903 4.007) 14.082 4.604 ( 2.827 1.132 -11.650) 12.042 5.313 ( 5.507 17.421 6.747) 19.476 7.069 ( 4.856 13.942 2.775) 15.022 7.261 ( -1.304 -1.728 -1.023) 2.394 8.200 ( 4.921 2.770 -2.349) 6.116 8.821 ( -6.711 -8.721 -11.173) 15.682 10.258 ( -8.802 -30.132 11.378) 33.390 13.692 ( -9.387 -4.159 -9.597) 14.054 ======================= Grid point 56 (42/417) ======================= q-point: ( 0.44 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 9.150 3.176 1.285) 9.771 3.238 ( 7.892 14.015 -1.439) 16.148 3.729 ( 3.073 18.534 -2.790) 18.993 4.319 ( 8.023 9.375 5.068) 13.340 4.561 ( -1.427 -2.067 -8.859) 9.209 5.585 ( 6.194 11.154 4.409) 13.499 7.174 ( 1.680 0.402 -1.777) 2.478 7.363 ( 2.685 14.010 3.817) 14.767 8.343 ( 7.225 6.086 -2.174) 9.694 8.575 ( -8.540 -6.533 -9.721) 14.495 9.841 ( -12.299 -25.665 9.254) 29.926 13.487 ( -5.332 -5.647 -6.828) 10.341 ======================= Grid point 57 (43/417) ======================= q-point: ( 0.50 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 7.750 -0.355 -1.017) 7.825 3.463 ( 2.770 15.036 -3.140) 15.608 3.902 ( 0.407 12.237 -0.475) 12.253 4.466 ( -1.379 -2.166 0.032) 2.568 4.559 ( 2.677 12.495 -1.708) 12.893 5.752 ( 4.327 2.697 2.810) 5.821 7.219 ( 6.213 -3.597 -1.695) 7.376 7.542 ( -2.221 18.007 3.806) 18.539 8.370 ( -5.578 -3.494 -6.701) 9.392 8.519 ( 6.003 6.476 -1.355) 8.934 9.418 ( -14.889 -17.212 4.866) 23.272 13.366 ( 0.658 -7.453 -3.406) 8.221 ======================= Grid point 58 (44/417) ======================= q-point: ( 0.56 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( 4.098 -3.313 -3.268) 6.201 3.597 ( -3.328 15.269 -3.923) 16.113 3.993 ( -1.203 7.961 2.647) 8.475 4.415 ( -0.026 -3.718 -1.474) 3.999 4.686 ( -4.381 14.645 0.029) 15.286 5.816 ( 3.064 -3.306 2.156) 4.996 7.284 ( 7.488 -7.209 -0.827) 10.427 7.640 ( -9.528 18.868 2.430) 21.277 8.306 ( 2.510 -0.649 -1.651) 3.074 8.633 ( 2.714 1.322 -0.844) 3.134 9.083 ( -11.862 -3.542 -0.298) 12.383 13.335 ( 5.332 -8.386 -0.321) 9.943 ======================= Grid point 59 (45/417) ======================= q-point: (-0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( -0.672 -5.044 -4.454) 6.763 3.610 ( -10.142 12.934 -3.395) 16.783 4.045 ( -3.410 7.431 5.334) 9.762 4.383 ( 1.800 -5.204 -2.345) 5.985 4.694 ( -9.248 11.799 -0.358) 14.996 5.811 ( 0.466 -5.602 1.915) 5.938 7.306 ( 5.042 -10.160 0.380) 11.348 7.604 ( -14.079 14.771 0.427) 20.410 8.404 ( 5.159 3.905 4.450) 7.853 8.633 ( -1.538 -1.718 -0.683) 2.405 8.995 ( 2.210 5.219 -5.902) 8.183 13.375 ( 8.057 -7.255 1.986) 11.022 ======================= Grid point 60 (46/417) ======================= q-point: (-0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( -5.070 -4.954 -3.992) 8.135 3.489 ( -14.992 8.270 -2.143) 17.255 4.027 ( -11.156 8.229 6.134) 15.159 4.328 ( -2.106 -5.546 -4.198) 7.267 4.657 ( -2.880 5.728 0.468) 6.428 5.724 ( -5.783 -5.079 1.487) 7.839 7.268 ( 1.824 -8.766 1.065) 9.017 7.475 ( -14.537 8.829 -0.095) 17.009 8.494 ( -6.653 4.277 -0.833) 7.952 8.626 ( 5.900 2.720 6.708) 9.338 9.195 ( 18.110 2.862 -8.507) 20.212 13.480 ( 9.991 -4.195 3.199) 11.298 ======================= Grid point 61 (47/417) ======================= q-point: (-0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( -8.840 -3.113 -2.264) 9.642 3.258 ( -18.206 3.270 -1.028) 18.526 3.848 ( -19.889 5.981 3.146) 21.006 4.178 ( -7.565 -4.334 -2.083) 8.964 4.732 ( 6.070 1.770 0.375) 6.333 5.508 ( -15.589 -3.409 0.790) 15.977 7.217 ( -4.034 -1.840 1.159) 4.583 7.301 ( -9.383 1.393 -0.342) 9.492 8.361 ( -9.129 1.237 -0.945) 9.261 8.835 ( 10.612 2.926 4.240) 11.796 9.568 ( 25.727 1.362 -5.607) 26.366 13.649 ( 11.612 -1.060 2.682) 11.965 ======================= Grid point 62 (48/417) ======================= q-point: (-0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( -12.516 -0.000 0.000) 12.516 2.932 ( -22.054 -0.000 0.000) 22.054 3.532 ( -19.955 -0.000 0.000) 19.955 3.985 ( -12.498 -0.000 0.000) 12.498 4.865 ( 7.889 0.000 -0.000) 7.889 5.134 ( -26.455 -0.000 0.000) 26.455 7.017 ( -14.910 -0.000 0.000) 14.910 7.286 ( 3.532 0.000 -0.000) 3.532 8.238 ( -5.428 -0.000 0.000) 5.428 9.039 ( 10.706 0.000 -0.000) 10.706 10.038 ( 29.689 0.000 -0.000) 29.689 13.854 ( 12.101 0.000 -0.000) 12.101 ======================= Grid point 69 (49/417) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -0.000 13.724 5.350) 14.730 2.196 ( 0.000 20.771 2.539) 20.926 3.035 ( 0.000 7.636 -1.516) 7.785 3.723 ( 0.000 19.945 1.937) 20.039 4.252 ( 0.000 30.414 -6.883) 31.183 5.131 ( -0.000 6.179 2.132) 6.537 6.667 ( 0.000 7.357 1.049) 7.431 7.470 ( 0.000 -3.744 -0.838) 3.836 8.122 ( 0.000 -2.173 -0.928) 2.363 9.053 ( 0.000 -6.795 -12.015) 13.803 10.762 ( -0.000 -34.536 7.387) 35.317 14.093 ( 0.000 -1.743 -9.796) 9.950 ======================= Grid point 70 (50/417) ======================= q-point: ( 0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 2.088 10.499 3.364) 11.220 2.486 ( 10.307 16.880 1.644) 19.846 3.173 ( 7.310 10.030 -1.695) 12.526 3.914 ( 1.444 15.602 0.010) 15.668 4.483 ( 2.439 15.356 -8.579) 17.759 5.248 ( 0.086 15.683 5.266) 16.544 6.798 ( 7.174 7.286 1.372) 10.316 7.411 ( -4.146 -0.579 -1.281) 4.377 8.113 ( 0.224 0.753 -0.991) 1.264 8.930 ( -0.439 -9.362 -12.041) 15.258 10.430 ( -2.255 -34.370 8.644) 35.512 13.995 ( -5.847 -2.263 -8.283) 10.389 ======================= Grid point 71 (51/417) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 4.497 6.798 1.814) 8.350 2.839 ( 13.399 12.169 0.181) 18.101 3.465 ( 12.530 14.960 -1.842) 19.601 4.076 ( 3.478 9.645 -0.593) 10.270 4.570 ( 0.417 4.382 -7.200) 8.439 5.458 ( 1.515 18.823 5.454) 19.655 7.061 ( 12.247 10.035 2.863) 16.090 7.315 ( -6.208 0.747 -1.702) 6.480 8.148 ( 2.507 3.252 -2.008) 4.571 8.777 ( -2.449 -8.720 -11.389) 14.551 10.081 ( -3.511 -32.954 9.639) 34.514 13.803 ( -10.356 -2.840 -7.330) 13.002 ======================= Grid point 72 (52/417) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 6.308 3.465 0.413) 7.208 3.168 ( 13.039 9.933 -1.413) 16.452 3.809 ( 7.832 16.550 -2.325) 18.457 4.250 ( 10.097 5.935 0.077) 11.713 4.560 ( -2.340 1.600 -3.810) 4.749 5.662 ( 1.195 13.236 4.126) 13.916 7.200 ( -5.195 1.491 -2.027) 5.772 7.411 ( 11.128 12.362 5.230) 17.436 8.254 ( 6.596 4.782 -3.804) 8.992 8.607 ( -5.165 -4.903 -9.839) 12.146 9.735 ( -4.660 -29.996 9.057) 31.678 13.561 ( -11.012 -3.734 -6.107) 13.134 ======================= Grid point 73 (53/417) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 6.639 0.702 -0.967) 6.745 3.463 ( 10.871 10.411 -2.919) 15.333 3.986 ( 0.603 8.489 -0.947) 8.563 4.503 ( -3.290 0.652 -4.051) 5.259 4.558 ( 12.508 12.145 2.795) 17.657 5.766 ( -0.895 4.814 3.177) 5.837 7.142 ( -0.968 -0.596 -1.520) 1.898 7.705 ( 5.215 14.746 6.245) 16.841 8.384 ( 0.906 -0.195 -7.203) 7.262 8.491 ( 0.897 4.815 -4.986) 6.989 9.408 ( -5.546 -23.658 6.602) 25.180 13.341 ( -7.083 -5.226 -4.178) 9.743 ======================= Grid point 74 (54/417) ======================= q-point: ( 0.56 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( 4.919 -1.439 -2.225) 5.588 3.710 ( 6.082 12.406 -4.353) 14.486 4.045 ( 0.606 3.011 2.003) 3.667 4.412 ( -4.736 -2.708 -0.229) 5.461 4.878 ( 4.960 18.643 -0.733) 19.305 5.755 ( -1.171 -4.304 2.827) 5.281 7.142 ( 2.780 -2.668 -0.732) 3.922 7.919 ( -0.441 15.364 5.679) 16.385 8.284 ( -3.264 -1.138 -5.346) 6.366 8.604 ( 2.868 3.248 -2.670) 5.090 9.161 ( -4.475 -11.049 2.344) 12.149 13.208 ( -0.479 -6.492 -1.812) 6.757 ======================= Grid point 75 (55/417) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 1.511 -2.545 -2.735) 4.030 3.858 ( -3.243 14.227 -5.043) 15.439 4.098 ( 2.248 0.756 5.181) 5.698 4.303 ( -1.622 -6.760 -0.448) 6.967 5.031 ( -9.696 19.263 -1.747) 21.636 5.703 ( 3.475 -9.827 2.546) 10.730 7.161 ( 3.369 -4.405 -0.075) 5.547 7.945 ( -11.793 8.925 0.530) 14.799 8.338 ( 8.573 4.046 2.991) 9.940 8.615 ( -0.106 -0.966 -1.723) 1.979 9.046 ( -4.077 -0.464 -2.458) 4.783 13.189 ( 5.675 -5.851 0.193) 8.154 ======================= Grid point 76 (56/417) ======================= q-point: (-0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -2.329 -2.066 -1.923) 3.659 3.807 ( -13.765 7.733 -2.289) 15.953 4.165 ( 1.481 1.183 7.495) 7.731 4.252 ( 2.593 -4.531 -4.821) 7.106 4.919 ( -17.117 8.685 -0.982) 19.220 5.703 ( 3.050 -4.967 1.226) 5.956 7.167 ( 2.333 -3.858 0.185) 4.513 7.783 ( -13.684 3.896 -0.163) 14.229 8.561 ( 7.422 5.001 6.971) 11.344 8.612 ( -0.045 0.863 -2.623) 2.762 8.988 ( 2.183 -0.905 -4.989) 5.520 13.280 ( 9.619 -3.029 0.969) 10.131 ======================= Grid point 77 (57/417) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -5.733 -0.000 0.000) 5.733 3.572 ( -16.882 -0.000 0.000) 16.882 4.161 ( -9.539 -0.000 0.000) 9.539 4.220 ( -1.327 -0.000 0.000) 1.327 4.726 ( -6.489 -0.000 0.000) 6.489 5.670 ( -5.321 -0.000 0.000) 5.321 7.182 ( 1.953 0.000 -0.000) 1.953 7.561 ( -14.921 -0.000 0.000) 14.921 8.532 ( -9.310 -0.000 0.000) 9.310 8.705 ( 7.236 0.000 -0.000) 7.236 9.172 ( 19.543 0.000 -0.000) 19.543 13.449 ( 11.456 0.000 -0.000) 11.456 ======================= Grid point 86 (58/417) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 0.000 8.208 0.533) 8.226 2.550 ( 0.000 13.758 1.498) 13.839 3.189 ( 0.000 9.135 -1.456) 9.250 4.037 ( 0.000 12.095 -3.166) 12.502 4.559 ( 0.000 8.845 -6.037) 10.709 5.440 ( -0.000 19.346 5.014) 19.985 6.776 ( 0.000 3.109 -0.004) 3.109 7.459 ( 0.000 3.339 -1.549) 3.681 8.138 ( 0.000 4.138 0.053) 4.138 8.789 ( 0.000 -10.776 -11.720) 15.921 10.138 ( -0.000 -34.259 8.264) 35.242 14.003 ( 0.000 -1.841 -6.141) 6.411 ======================= Grid point 87 (59/417) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 1.584 5.202 -1.014) 5.532 2.749 ( 8.821 9.600 0.391) 13.043 3.371 ( 10.777 10.709 -1.089) 15.232 4.118 ( 0.445 6.569 -5.024) 8.282 4.612 ( -0.684 6.136 -2.718) 6.746 5.639 ( 0.313 16.993 3.638) 17.381 6.903 ( 12.062 2.776 0.343) 12.382 7.449 ( -5.818 5.323 -2.223) 8.193 8.181 ( -0.841 6.136 0.028) 6.193 8.662 ( 0.990 -8.933 -10.128) 13.541 9.826 ( -1.283 -32.814 8.173) 33.841 13.910 ( -6.707 -1.713 -4.954) 8.513 ======================= Grid point 88 (60/417) ======================= q-point: ( 0.44 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 3.807 2.609 -1.480) 4.847 3.016 ( 13.037 6.638 -0.871) 14.656 3.731 ( 17.038 12.561 -0.765) 21.181 4.161 ( 2.741 1.722 -4.827) 5.812 4.635 ( -2.665 4.973 -0.031) 5.642 5.793 ( -0.080 11.696 2.369) 11.934 7.231 ( 20.284 5.537 2.109) 21.131 7.356 ( -9.361 4.544 -2.257) 10.648 8.236 ( 0.779 6.319 -1.505) 6.542 8.580 ( -0.143 -3.591 -8.159) 8.916 9.514 ( -1.907 -30.541 7.702) 31.555 13.717 ( -11.768 -1.873 -4.239) 12.648 ======================= Grid point 89 (61/417) ======================= q-point: ( 0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 5.315 0.807 -1.506) 5.582 3.307 ( 14.686 5.630 -1.712) 15.821 4.036 ( 2.865 7.102 -1.232) 7.757 4.334 ( 19.223 5.774 -3.703) 20.410 4.614 ( -4.682 2.801 2.454) 5.983 5.870 ( -2.467 6.187 1.868) 6.918 7.229 ( -8.241 2.657 -1.727) 8.830 7.650 ( 17.808 7.974 4.715) 20.073 8.330 ( 4.120 5.964 -4.483) 8.523 8.527 ( -2.013 2.222 -6.231) 6.915 9.226 ( -1.242 -27.026 6.796) 27.895 13.468 ( -12.970 -2.455 -3.380) 13.626 ======================= Grid point 90 (62/417) ======================= q-point: ( 0.56 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 5.167 -0.347 -1.443) 5.376 3.602 ( 14.166 5.461 -2.228) 15.345 4.074 ( -0.519 1.953 -0.072) 2.022 4.515 ( -7.124 1.609 -1.045) 7.378 4.791 ( 20.567 9.130 0.906) 22.520 5.828 ( -7.332 0.476 1.774) 7.559 7.137 ( -3.666 0.580 -0.817) 3.801 7.971 ( 9.331 7.477 5.636) 13.219 8.362 ( -5.637 3.011 -4.932) 8.073 8.578 ( 4.139 6.502 -5.288) 9.347 9.028 ( 3.531 -18.554 5.011) 19.540 13.236 ( -9.236 -3.148 -2.048) 9.970 ======================= Grid point 91 (63/417) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 3.339 -0.760 -1.111) 3.601 3.869 ( 11.729 5.544 -2.565) 13.224 4.085 ( 0.248 0.281 1.527) 1.572 4.364 ( -9.773 -1.826 0.423) 9.952 5.201 ( 14.215 12.703 -1.199) 19.102 5.642 ( -11.084 -7.248 1.899) 13.379 7.108 ( 0.106 -0.693 -0.171) 0.722 8.169 ( -0.968 5.952 4.878) 7.756 8.245 ( -0.518 -0.288 -3.705) 3.752 8.621 ( -1.229 0.616 -1.663) 2.158 9.028 ( 4.858 -3.492 0.441) 5.999 13.107 ( -1.688 -2.618 -0.583) 3.170 ======================= Grid point 92 (64/417) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 0.567 0.000 -0.000) 0.567 4.053 ( -7.419 -0.000 0.000) 7.419 4.082 ( 9.151 0.000 -0.000) 9.151 4.203 ( -3.968 -0.000 0.000) 3.968 5.294 ( -19.556 -0.000 0.000) 19.556 5.539 ( 12.286 0.000 -0.000) 12.286 7.118 ( 1.535 0.000 -0.000) 1.535 8.016 ( -12.126 -0.000 0.000) 12.126 8.418 ( 12.097 0.000 -0.000) 12.097 8.600 ( -0.402 -0.000 0.000) 0.402 9.026 ( -3.538 -0.000 0.000) 3.538 13.130 ( 5.751 0.000 -0.000) 5.751 ======================= Grid point 103 (65/417) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 0.000 2.875 -3.385) 4.441 2.755 ( 0.000 6.938 0.429) 6.952 3.361 ( 0.000 8.769 -0.833) 8.808 4.142 ( 0.000 2.801 -6.283) 6.879 4.679 ( 0.000 6.719 -0.229) 6.723 5.789 ( 0.000 12.262 1.615) 12.368 6.793 ( 0.000 -0.497 -0.862) 0.995 7.565 ( 0.000 8.298 -2.834) 8.769 8.265 ( 0.000 7.618 0.802) 7.660 8.534 ( 0.000 -7.476 -7.326) 10.467 9.550 ( -0.000 -30.692 6.974) 31.474 13.943 ( 0.000 -1.050 -3.348) 3.509 ======================= Grid point 104 (66/417) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 1.925 1.047 -3.535) 4.159 2.882 ( 8.097 4.442 -0.253) 9.238 3.554 ( 13.104 7.963 -0.423) 15.340 4.137 ( 0.113 0.479 -5.198) 5.221 4.729 ( -1.724 5.626 0.770) 5.935 5.890 ( 0.304 7.366 0.295) 7.378 6.926 ( 16.245 0.192 -0.289) 16.249 7.566 ( -8.087 7.593 -2.960) 11.481 8.314 ( -2.065 6.330 0.019) 6.658 8.500 ( 3.405 -1.700 -4.409) 5.824 9.277 ( -1.163 -27.584 5.842) 28.220 13.862 ( -7.350 -0.780 -2.495) 7.801 ======================= Grid point 105 (67/417) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 4.119 0.212 -2.278) 4.712 3.101 ( 13.316 2.921 -0.739) 13.653 3.926 ( 20.219 7.288 0.229) 21.493 4.132 ( 2.241 -0.791 -3.710) 4.406 4.728 ( -4.048 3.371 1.163) 5.395 5.948 ( -0.209 3.925 0.164) 3.934 7.314 ( 26.026 2.222 1.321) 26.154 7.438 ( -11.876 4.446 -2.192) 12.869 8.354 ( 0.135 7.468 -2.075) 7.752 8.542 ( 1.411 2.324 -2.781) 3.889 9.015 ( -1.829 -24.153 5.025) 24.737 13.671 ( -12.872 -0.796 -1.908) 13.037 ======================= Grid point 106 (68/417) ======================= q-point: ( 0.56 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 5.150 -0.059 -0.965) 5.240 3.371 ( 15.717 1.810 -0.710) 15.837 4.094 ( -0.352 0.888 -0.465) 1.063 4.426 ( 26.008 3.988 -1.782) 26.372 4.663 ( -6.457 0.575 1.665) 6.692 5.947 ( -3.742 1.499 0.422) 4.053 7.265 ( -10.120 1.417 -0.696) 10.242 7.775 ( 21.726 2.493 1.894) 21.950 8.463 ( 0.920 10.721 -2.913) 11.148 8.562 ( 1.208 3.405 -4.042) 5.421 8.795 ( 0.636 -20.304 5.540) 21.055 13.421 ( -14.347 -0.827 -1.089) 14.412 ======================= Grid point 107 (69/417) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( 4.712 0.000 -0.000) 4.712 3.647 ( 15.524 0.000 -0.000) 15.524 4.090 ( -0.319 -0.000 0.000) 0.319 4.530 ( -9.341 -0.000 0.000) 9.341 4.888 ( 24.981 0.000 -0.000) 24.981 5.834 ( -10.572 -0.000 0.000) 10.572 7.142 ( -4.686 -0.000 0.000) 4.686 8.061 ( 11.179 0.000 -0.000) 11.179 8.396 ( -9.901 -0.000 0.000) 9.901 8.650 ( -1.495 -0.000 0.000) 1.495 8.819 ( 15.237 0.000 -0.000) 15.237 13.198 ( -10.222 -0.000 0.000) 10.222 ======================= Grid point 121 (70/417) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 0.000 -0.118 -3.819) 3.821 2.846 ( 0.000 2.693 -0.062) 2.693 3.498 ( 0.000 5.164 -0.296) 5.173 4.122 ( 0.000 -0.180 -3.743) 3.747 4.796 ( 0.000 4.353 0.725) 4.413 5.936 ( 0.000 3.514 -0.812) 3.607 6.768 ( 0.000 -1.038 -0.758) 1.285 7.710 ( 0.000 7.546 -3.062) 8.144 8.406 ( 0.000 5.477 0.678) 5.518 8.433 ( 0.000 0.431 -1.701) 1.755 9.058 ( -0.000 -22.479 3.955) 22.824 13.915 ( 0.000 -0.318 -1.404) 1.439 ======================= Grid point 122 (71/417) ======================= q-point: ( 0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 2.509 -0.240 -1.985) 3.208 2.934 ( 7.987 1.275 -0.175) 8.090 3.660 ( 14.213 2.870 -0.078) 14.500 4.111 ( -0.015 -0.257 -1.841) 1.859 4.813 ( -2.192 2.152 0.477) 3.108 5.963 ( 0.780 1.382 -0.543) 1.677 6.923 ( 18.622 -0.127 -0.194) 18.624 7.668 ( -9.960 3.627 -1.605) 10.721 8.428 ( -0.732 6.305 -0.897) 6.411 8.505 ( 3.945 1.048 0.096) 4.083 8.865 ( -2.070 -15.315 2.332) 15.630 13.843 ( -7.706 -0.172 -0.741) 7.743 ======================= Grid point 123 (72/417) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 4.445 0.000 -0.000) 4.445 3.126 ( 13.483 0.000 -0.000) 13.483 4.005 ( 23.777 0.000 -0.000) 23.777 4.104 ( -0.256 -0.000 0.000) 0.256 4.766 ( -4.591 -0.000 0.000) 4.591 5.981 ( 0.138 0.000 -0.000) 0.138 7.341 ( 28.339 0.000 -0.000) 28.339 7.476 ( -13.143 -0.000 0.000) 13.143 8.481 ( 2.301 0.000 -0.000) 2.301 8.565 ( 1.865 0.000 -0.000) 1.865 8.726 ( -4.212 -0.000 0.000) 4.212 13.658 ( -13.296 -0.000 0.000) 13.296 ======================= Grid point 140 (73/417) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 586 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -0.000 0.000 0.000) 0.000 2.870 ( -0.000 0.000 0.000) 0.000 3.548 ( -0.000 0.000 0.000) 0.000 4.106 ( -0.000 0.000 0.000) 0.000 4.843 ( -0.000 0.000 0.000) 0.000 5.960 ( -0.000 0.000 0.000) 0.000 6.754 ( 0.000 0.000 0.000) 0.000 7.780 ( -0.000 0.000 0.000) 0.000 8.465 ( -0.000 0.000 0.000) 0.000 8.470 ( 0.000 0.000 -0.000) 0.000 8.810 ( -0.000 -0.000 0.000) 0.000 13.908 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 280 (74/417) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.235 ( -0.000 -0.000 23.184) 23.184 0.235 ( -0.000 -0.000 23.184) 23.184 0.454 ( -0.000 -0.000 44.895) 44.895 2.711 ( 0.000 0.000 -1.382) 1.382 2.711 ( 0.000 0.000 -1.382) 1.382 6.172 ( 0.000 0.000 -4.980) 4.980 6.247 ( -0.000 -0.000 0.779) 0.779 6.247 ( -0.000 -0.000 0.779) 0.779 8.469 ( 0.000 0.000 -0.588) 0.588 8.469 ( 0.000 0.000 -0.588) 0.588 12.403 ( -0.000 -0.000 1.516) 1.516 13.061 ( 0.000 0.000 -0.680) 0.680 ======================= Grid point 281 (75/417) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 22.607 13.052 11.232) 28.419 0.671 ( 14.799 8.544 23.439) 29.007 1.213 ( 44.622 25.763 13.339) 53.224 2.719 ( 1.558 0.899 -2.460) 3.047 2.838 ( 10.417 6.014 -1.350) 12.104 5.238 ( -5.872 -3.390 5.129) 8.502 6.276 ( 2.299 1.328 0.998) 2.837 8.179 ( -6.472 -3.736 -10.486) 12.876 8.435 ( -2.777 -1.604 -0.609) 3.264 8.672 ( 31.018 17.908 -35.522) 50.444 12.286 ( -11.113 -6.416 3.804) 13.384 14.001 ( 24.938 14.398 -48.577) 56.471 ======================= Grid point 282 (76/417) ======================= q-point: ( 0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 16.667 9.622 15.826) 24.916 1.226 ( 23.941 13.822 7.553) 28.658 2.250 ( 42.662 24.631 6.963) 49.752 2.763 ( 3.215 1.856 -3.408) 5.039 3.166 ( 19.005 10.972 -1.052) 21.970 5.162 ( -2.799 -1.616 -1.613) 3.612 6.357 ( 4.566 2.636 0.968) 5.360 7.887 ( -13.629 -7.869 -1.338) 15.795 8.347 ( -4.605 -2.659 -0.516) 5.342 9.071 ( 13.862 8.003 -16.145) 22.735 11.963 ( -18.477 -10.668 7.426) 22.591 14.131 ( 2.548 1.471 -27.711) 27.867 ======================= Grid point 283 (77/417) ======================= q-point: ( 0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 17.512 10.111 9.713) 22.433 1.781 ( 22.862 13.200 6.199) 27.117 2.838 ( 4.518 2.608 -4.227) 6.714 3.108 ( 30.180 17.425 4.575) 35.148 3.708 ( 29.719 17.158 -1.438) 34.346 5.082 ( -3.597 -2.077 -3.413) 5.376 6.484 ( 6.212 3.586 0.613) 7.199 7.608 ( -10.050 -5.802 -1.581) 11.712 8.239 ( -4.459 -2.575 -0.247) 5.155 9.217 ( 2.812 1.623 -9.738) 10.265 11.530 ( -22.373 -12.917 12.260) 28.596 14.014 ( -4.500 -2.598 -21.886) 22.495 ======================= Grid point 284 (78/417) ======================= q-point: ( 0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 17.235 9.951 5.488) 20.644 2.283 ( 19.454 11.232 5.671) 23.168 2.938 ( 5.666 3.271 -4.927) 8.190 3.664 ( 19.664 11.353 3.298) 22.944 4.415 ( 30.318 17.504 -5.489) 35.436 4.986 ( -3.271 -1.888 -0.664) 3.835 6.627 ( 5.998 3.463 0.003) 6.925 7.444 ( -3.587 -2.071 -1.952) 4.579 8.165 ( -1.735 -1.002 0.192) 2.012 9.131 ( -7.286 -4.206 -9.311) 12.549 11.041 ( -25.242 -14.574 15.409) 32.969 13.825 ( -5.400 -3.118 -18.029) 19.077 ======================= Grid point 285 (79/417) ======================= q-point: ( 0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 15.781 9.111 2.486) 18.392 2.673 ( 12.989 7.499 4.980) 15.804 3.067 ( 7.535 4.350 -4.918) 9.995 4.058 ( 14.623 8.442 2.674) 17.095 4.723 ( -1.340 -0.774 -13.478) 13.566 5.170 ( 19.256 11.117 6.440) 23.149 6.738 ( 3.702 2.138 -0.598) 4.317 7.446 ( 4.478 2.585 -1.956) 5.528 8.174 ( 2.486 1.436 0.628) 2.939 8.857 ( -13.166 -7.601 -9.283) 17.813 10.483 ( -28.747 -16.597 13.374) 35.787 13.683 ( -2.314 -1.336 -12.155) 12.446 ======================= Grid point 286 (80/417) ======================= q-point: ( 0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( 12.884 7.439 -0.183) 14.878 2.892 ( 5.805 3.352 2.308) 7.089 3.242 ( 8.480 4.896 -2.570) 10.123 4.340 ( 9.397 5.425 1.453) 10.947 4.589 ( -5.013 -2.894 -7.976) 9.855 5.576 ( 14.022 8.096 1.997) 16.314 6.791 ( 1.398 0.807 -0.873) 1.835 7.620 ( 10.769 6.218 -2.243) 12.636 8.266 ( 4.863 2.808 0.806) 5.673 8.534 ( -11.656 -6.730 -6.409) 14.907 9.844 ( -30.493 -17.605 7.795) 36.063 13.639 ( 0.747 0.432 -5.804) 5.868 ======================= Grid point 287 (81/417) ======================= q-point: ( 0.50 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( 7.595 4.385 -3.360) 9.391 2.980 ( 2.142 1.237 0.026) 2.474 3.397 ( 5.139 2.967 -0.380) 5.946 4.416 ( -1.883 -1.087 -4.319) 4.835 4.557 ( 3.380 1.951 1.166) 4.073 5.814 ( 6.926 3.999 0.767) 8.035 6.806 ( 0.441 0.255 -0.783) 0.934 7.853 ( 8.615 4.974 -3.647) 10.595 8.370 ( 3.537 2.042 0.705) 4.145 8.374 ( 0.954 0.551 -1.142) 1.586 9.195 ( -27.668 -15.974 2.849) 32.075 13.658 ( 1.591 0.919 -1.159) 2.173 ======================= Grid point 288 (82/417) ======================= q-point: (-0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( -0.361 -0.208 -6.680) 6.693 2.999 ( -0.299 -0.173 -1.175) 1.225 3.461 ( 0.384 0.222 0.861) 0.969 4.398 ( 2.125 1.227 -0.866) 2.602 4.601 ( -0.626 -0.361 1.331) 1.514 5.898 ( 0.194 0.112 1.120) 1.142 6.812 ( 0.264 0.152 -0.454) 0.547 7.954 ( 2.408 1.390 -0.486) 2.823 8.412 ( -0.230 -0.133 0.423) 0.499 8.541 ( 0.833 0.481 -1.929) 2.155 8.714 ( -2.996 -1.730 0.551) 3.503 13.691 ( 1.044 0.603 1.981) 2.318 ======================= Grid point 289 (83/417) ======================= q-point: (-0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( -7.658 -4.421 -8.093) 11.987 2.957 ( -3.053 -1.763 -2.084) 4.095 3.422 ( -4.100 -2.367 1.869) 5.090 4.505 ( 6.771 3.909 1.473) 7.956 4.530 ( -5.990 -3.458 0.926) 6.978 5.826 ( -7.139 -4.122 2.048) 8.494 6.815 ( 0.028 0.016 0.024) 0.040 7.906 ( -9.335 -5.389 1.140) 10.839 8.363 ( -3.963 -2.288 0.006) 4.576 8.408 ( 3.578 2.066 2.267) 4.712 9.100 ( 23.675 13.669 -6.043) 27.997 13.723 ( 1.066 0.616 4.853) 5.007 ======================= Grid point 290 (84/417) ======================= q-point: (-0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( -12.383 -7.149 -7.411) 16.105 2.835 ( -7.361 -4.250 -2.983) 9.008 3.301 ( -6.918 -3.994 2.862) 8.486 4.340 ( -10.994 -6.347 0.793) 12.719 4.686 ( 8.276 4.778 1.356) 9.652 5.580 ( -15.686 -9.056 2.751) 18.320 6.806 ( -1.162 -0.671 0.545) 1.448 7.649 ( -10.846 -6.262 0.551) 12.536 8.252 ( -5.125 -2.959 -0.489) 5.938 8.663 ( 14.434 8.333 5.649) 17.598 9.641 ( 26.340 15.207 -11.116) 32.382 13.786 ( 2.991 1.727 7.931) 8.651 ======================= Grid point 291 (85/417) ======================= q-point: (-0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -15.612 -9.014 -5.760) 18.925 2.588 ( -13.777 -7.954 -3.288) 16.245 3.151 ( -6.946 -4.010 3.233) 8.647 4.044 ( -15.460 -8.926 0.859) 17.873 4.860 ( 5.851 3.378 -3.176) 7.465 5.133 ( -24.136 -13.935 5.968) 28.502 6.754 ( -3.910 -2.258 0.867) 4.598 7.476 ( -4.192 -2.420 0.906) 4.924 8.159 ( -2.389 -1.379 -0.858) 2.888 9.007 ( 13.223 7.635 4.489) 15.915 10.203 ( 27.033 15.607 -12.550) 33.643 13.919 ( 6.068 3.503 9.997) 12.207 ======================= Grid point 292 (86/417) ======================= q-point: (-0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -18.125 -10.464 -3.776) 21.267 2.197 ( -19.688 -11.367 -2.669) 22.890 3.016 ( -5.920 -3.418 2.699) 7.350 3.646 ( -20.431 -11.796 1.355) 23.630 4.432 ( -32.324 -18.662 -3.182) 37.460 5.035 ( 4.366 2.521 3.627) 6.211 6.635 ( -6.548 -3.780 0.775) 7.600 7.473 ( 3.485 2.012 0.820) 4.107 8.153 ( 2.127 1.228 -0.876) 2.608 9.247 ( 6.696 3.866 1.189) 7.822 10.778 ( 27.161 15.681 -9.217) 32.689 14.113 ( 7.714 4.454 9.166) 12.781 ======================= Grid point 293 (87/417) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -19.929 -11.506 -1.346) 23.052 1.700 ( -23.352 -13.482 -1.543) 27.009 2.901 ( -4.925 -2.844 1.834) 5.976 3.085 ( -31.766 -18.340 2.406) 36.759 3.692 ( -29.407 -16.978 -2.840) 34.075 5.125 ( 2.837 1.638 0.742) 3.359 6.483 ( -6.731 -3.886 0.485) 7.787 7.626 ( 9.636 5.563 0.148) 11.128 8.235 ( 4.857 2.804 -0.690) 5.651 9.312 ( -0.800 -0.462 -0.955) 1.328 11.356 ( 25.600 14.780 -4.294) 29.871 14.301 ( 6.358 3.671 4.794) 8.768 ======================= Grid point 294 (88/417) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -20.604 -11.896 3.200) 24.006 1.150 ( -24.959 -14.410 0.363) 28.823 2.210 ( -44.917 -25.933 3.215) 51.965 2.807 ( -3.709 -2.142 0.843) 4.365 3.154 ( -18.173 -10.492 -2.230) 21.103 5.172 ( 1.422 0.821 -0.397) 1.690 6.351 ( -4.848 -2.799 0.356) 5.610 7.892 ( 13.635 7.872 -0.886) 15.769 8.347 ( 4.880 2.817 -0.555) 5.662 9.211 ( -7.516 -4.339 -3.725) 9.445 11.879 ( 20.878 12.054 -0.355) 24.110 14.410 ( 2.727 1.575 -4.553) 5.536 ======================= Grid point 297 (89/417) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -0.000 24.007 11.906) 26.797 0.746 ( -0.000 15.812 24.821) 29.429 1.285 ( -0.000 49.355 17.388) 52.328 2.732 ( 0.000 2.792 -1.658) 3.247 2.808 ( 0.000 10.855 -3.146) 11.302 5.250 ( -0.000 -9.419 5.047) 10.686 6.280 ( -0.000 2.705 1.192) 2.956 8.089 ( 0.000 4.560 -19.713) 20.234 8.428 ( 0.000 -3.465 -1.041) 3.618 8.604 ( 0.000 33.118 -28.060) 43.407 12.292 ( -0.000 -13.613 4.053) 14.204 13.855 ( 0.000 34.255 -44.584) 56.224 ======================= Grid point 298 (90/417) ======================= q-point: ( 0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 8.575 14.235 20.339) 26.265 1.110 ( 15.025 22.723 9.042) 28.703 2.034 ( 23.346 44.225 10.667) 51.133 2.758 ( 0.399 4.638 -2.857) 5.462 3.025 ( 11.079 14.332 -2.717) 18.318 5.174 ( -1.841 -3.594 -1.008) 4.162 6.337 ( 2.292 4.201 1.350) 4.972 7.951 ( -6.219 -13.105 -2.845) 14.782 8.364 ( -2.015 -4.544 -1.199) 5.113 8.912 ( 10.485 19.754 -21.600) 31.092 12.071 ( -8.602 -18.685 6.395) 21.541 14.024 ( 4.004 11.803 -31.865) 34.215 ======================= Grid point 299 (91/417) ======================= q-point: ( 0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 12.078 12.617 14.010) 22.391 1.640 ( 17.721 21.903 6.943) 29.017 2.817 ( 2.709 7.200 -3.921) 8.634 2.878 ( 24.528 30.699 7.084) 39.928 3.444 ( 21.205 18.985 -2.831) 28.602 5.101 ( -2.590 -2.398 -3.427) 4.920 6.447 ( 4.213 5.959 1.318) 7.416 7.686 ( -8.847 -10.671 -1.596) 13.954 8.272 ( -3.012 -4.116 -0.922) 5.183 9.127 ( 6.254 5.914 -12.901) 15.509 11.710 ( -13.769 -21.075 10.528) 27.287 13.997 ( -3.235 2.385 -24.433) 24.761 ======================= Grid point 300 (92/417) ======================= q-point: ( 0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 14.145 10.876 8.334) 19.693 2.161 ( 16.396 20.336 5.918) 26.784 2.914 ( 2.564 8.484 -4.941) 10.147 3.492 ( 17.926 17.430 5.027) 25.503 4.085 ( 28.670 22.342 -4.771) 36.659 5.019 ( -3.105 -1.490 -2.252) 4.114 6.597 ( 4.676 7.730 1.011) 9.091 7.468 ( -5.334 -6.855 -1.975) 8.907 8.191 ( -2.347 -1.794 -0.533) 3.002 9.138 ( -2.036 -3.211 -10.508) 11.175 11.278 ( -17.373 -21.927 14.412) 31.470 13.837 ( -6.397 -1.015 -20.194) 21.207 ======================= Grid point 301 (93/417) ======================= q-point: ( 0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 14.894 8.396 4.034) 17.567 2.608 ( 11.880 17.030 5.044) 21.368 3.041 ( 3.336 11.417 -5.378) 13.054 3.915 ( 14.451 11.316 4.169) 18.822 4.612 ( 11.990 6.972 -14.705) 20.214 5.052 ( 8.614 8.715 7.139) 14.182 6.746 ( 2.497 8.961 0.403) 9.311 7.377 ( 1.662 -3.341 -2.076) 4.270 8.172 ( 0.510 1.832 0.050) 1.902 8.941 ( -9.459 -8.105 -10.436) 16.250 10.779 ( -22.268 -22.138 14.132) 34.433 13.669 ( -3.909 -1.855 -14.640) 15.266 ======================= Grid point 302 (94/417) ======================= q-point: ( 0.44 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 14.067 4.969 0.559) 14.929 2.904 ( 4.632 12.472 2.202) 13.485 3.224 ( 4.546 14.896 -3.413) 15.944 4.235 ( 10.917 7.325 3.479) 13.599 4.600 ( -2.966 -2.593 -11.563) 12.216 5.432 ( 14.836 11.296 4.375) 19.153 6.849 ( -1.235 9.905 -0.225) 9.984 7.447 ( 9.731 -1.469 -2.041) 10.050 8.245 ( 3.421 5.316 0.704) 6.361 8.639 ( -11.494 -8.064 -8.664) 16.499 10.183 ( -27.462 -21.051 9.218) 35.809 13.587 ( 0.950 -2.174 -7.782) 8.136 ======================= Grid point 303 (95/417) ======================= q-point: ( 0.50 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( 10.902 0.366 -2.691) 11.235 3.054 ( -0.009 11.519 -1.226) 11.584 3.425 ( 1.973 14.285 -0.621) 14.434 4.416 ( 1.300 1.740 -2.566) 3.361 4.515 ( 1.925 -0.034 -1.857) 2.674 5.729 ( 9.065 6.060 1.872) 11.064 6.902 ( -4.273 11.315 -0.466) 12.103 7.627 ( 13.805 -3.838 -2.544) 14.553 8.370 ( 2.425 4.690 0.878) 5.352 8.404 ( -4.433 -0.541 -4.267) 6.176 9.531 ( -28.866 -17.468 3.738) 33.946 13.592 ( 3.980 -2.923 -2.258) 5.430 ======================= Grid point 304 (96/417) ======================= q-point: ( 0.56 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( 5.423 -4.226 -5.547) 8.834 3.129 ( -3.601 10.987 -3.478) 12.074 3.547 ( -2.710 11.711 1.016) 12.063 4.386 ( -0.312 1.121 -3.694) 3.873 4.587 ( 2.356 -0.382 2.620) 3.545 5.878 ( 3.526 1.650 1.325) 4.112 6.928 ( -6.192 12.428 -0.358) 13.890 7.767 ( 10.894 -9.325 -1.853) 14.460 8.371 ( 3.474 -0.077 -0.466) 3.506 8.538 ( 5.766 11.621 -0.321) 12.977 8.934 ( -24.663 -10.924 0.495) 26.979 13.632 ( 4.521 -3.777 1.256) 6.023 ======================= Grid point 305 (97/417) ======================= q-point: (-0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( -0.436 -7.685 -7.612) 10.826 3.115 ( -7.983 9.020 -4.066) 12.713 3.568 ( -7.684 9.363 2.013) 12.279 4.437 ( 4.705 3.006 -2.325) 6.048 4.577 ( -2.504 -3.236 3.278) 5.243 5.887 ( -2.843 -2.287 2.019) 4.170 6.934 ( -7.061 11.839 -0.035) 13.785 7.808 ( 6.286 -13.902 0.399) 15.262 8.406 ( 0.546 -0.028 1.684) 1.770 8.533 ( -14.689 1.069 -0.620) 14.741 8.856 ( 17.492 12.341 -4.034) 21.784 13.676 ( 4.317 -3.887 3.793) 6.937 ======================= Grid point 306 (98/417) ======================= q-point: (-0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( -6.088 -9.542 -7.983) 13.851 3.014 ( -11.454 6.554 -3.514) 13.657 3.486 ( -11.974 6.867 2.630) 14.052 4.434 ( -6.590 -5.892 -1.009) 8.897 4.598 ( 6.991 3.797 1.903) 8.180 5.742 ( -10.757 -6.148 3.034) 12.756 6.919 ( -7.191 9.423 0.488) 11.863 7.676 ( -3.522 -14.672 0.271) 15.091 8.336 ( -7.016 -1.048 -1.076) 7.175 8.564 ( 8.470 8.933 5.062) 13.310 9.312 ( 23.832 12.433 -8.919) 28.321 13.739 ( 5.199 -2.565 6.109) 8.422 ======================= Grid point 307 (99/417) ======================= q-point: (-0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( -10.945 -9.706 -6.424) 15.977 2.821 ( -16.184 3.239 -3.112) 16.796 3.331 ( -13.244 4.386 2.917) 14.252 4.203 ( -12.260 -7.864 0.495) 14.574 4.770 ( 7.752 3.727 -1.747) 8.777 5.413 ( -20.297 -10.303 4.472) 23.198 6.869 ( -7.954 5.448 0.970) 9.690 7.491 ( -3.234 -8.933 0.520) 9.515 8.212 ( -5.490 -0.707 -1.263) 5.677 8.869 ( 13.337 8.166 4.266) 16.210 9.830 ( 27.380 11.547 -10.715) 31.588 13.854 ( 7.400 -0.161 7.565) 10.584 ======================= Grid point 308 (100/417) ======================= q-point: (-0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -15.182 -8.885 -3.802) 17.997 2.499 ( -22.395 -0.284 -2.264) 22.511 3.162 ( -11.398 2.414 2.366) 11.889 3.876 ( -17.261 -8.528 1.201) 19.290 4.770 ( -20.717 -7.064 -9.064) 23.691 5.018 ( -3.762 -3.759 9.585) 10.962 6.756 ( -9.363 1.020 1.067) 9.478 7.423 ( 2.169 -3.063 0.624) 3.805 8.150 ( -1.118 1.087 -1.229) 1.985 9.145 ( 10.119 4.389 0.501) 11.041 10.392 ( 29.691 10.863 -7.728) 32.547 14.029 ( 9.138 1.681 6.532) 11.358 ======================= Grid point 309 (101/417) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -18.925 -7.332 -0.478) 20.301 2.056 ( -27.130 -2.598 -0.850) 27.267 3.012 ( -8.960 0.751 1.258) 9.079 3.450 ( -24.759 -8.829 2.379) 26.393 4.100 ( -36.014 -11.997 -3.190) 38.093 5.082 ( 4.066 0.627 1.231) 4.294 6.594 ( -9.385 -1.434 0.838) 9.531 7.504 ( 8.211 0.870 0.146) 8.258 8.184 ( 3.215 2.142 -0.964) 3.982 9.285 ( 3.750 0.881 -2.470) 4.576 10.984 ( 30.091 9.534 -2.801) 31.689 14.215 ( 8.483 1.562 2.040) 8.863 ======================= Grid point 310 (102/417) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -21.535 -4.683 4.317) 22.457 1.546 ( -29.528 -2.721 1.250) 29.679 2.815 ( -41.859 -9.467 3.763) 43.081 2.883 ( -6.661 -0.557 -0.016) 6.684 3.447 ( -27.205 -5.483 -2.560) 27.870 5.142 ( 2.590 0.293 -0.769) 2.718 6.436 ( -7.478 -1.365 0.652) 7.629 7.705 ( 13.266 2.295 -0.575) 13.475 8.276 ( 5.296 1.571 -0.713) 5.569 9.273 ( -3.757 -0.854 -4.872) 6.211 11.554 ( 27.544 6.447 1.292) 28.318 14.335 ( 5.087 -0.174 -6.425) 8.197 ======================= Grid point 314 (103/417) ======================= q-point: ( 0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -0.000 15.624 20.116) 25.470 1.237 ( -0.000 25.457 7.719) 26.602 2.362 ( -0.000 49.636 10.960) 50.832 2.795 ( 0.000 4.840 -2.065) 5.262 3.081 ( 0.000 19.418 -4.826) 20.009 5.148 ( 0.000 -3.333 -2.165) 3.974 6.371 ( -0.000 5.677 1.495) 5.871 7.856 ( -0.000 -13.488 -2.428) 13.704 8.327 ( 0.000 -5.767 -1.324) 5.917 8.956 ( 0.000 17.885 -18.935) 26.046 11.947 ( -0.000 -24.684 6.625) 25.557 14.021 ( 0.000 11.978 -27.974) 30.430 ======================= Grid point 315 (104/417) ======================= q-point: ( 0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 4.977 14.353 16.025) 22.081 1.626 ( 12.657 24.123 6.377) 27.978 2.850 ( 1.341 7.378 -3.019) 8.084 2.955 ( 10.529 39.393 9.167) 41.793 3.363 ( 10.755 24.094 -5.640) 26.981 5.100 ( -1.300 -2.045 -3.321) 4.111 6.461 ( 2.598 7.355 1.697) 7.983 7.682 ( -4.581 -12.076 -1.432) 12.995 8.253 ( -1.115 -5.568 -1.468) 5.865 9.068 ( 3.302 7.811 -14.192) 16.532 11.663 ( -5.614 -27.775 8.941) 29.714 14.009 ( -2.516 5.825 -23.071) 23.928 ======================= Grid point 316 (105/417) ======================= q-point: ( 0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 8.319 12.049 10.869) 18.235 2.124 ( 15.730 22.394 5.517) 27.917 2.956 ( 2.520 10.372 -4.318) 11.514 3.460 ( 10.717 21.976 6.126) 25.205 3.888 ( 20.470 28.729 -5.996) 35.782 5.048 ( -2.114 -0.019 -2.135) 3.004 6.613 ( 4.564 9.856 2.085) 11.060 7.481 ( -5.815 -8.605 -1.703) 10.524 8.186 ( -0.521 -3.643 -1.520) 3.982 9.088 ( 0.124 -1.897 -11.626) 11.780 11.296 ( -9.050 -28.733 12.282) 32.532 13.889 ( -7.027 1.515 -19.494) 20.777 ======================= Grid point 317 (106/417) ======================= q-point: ( 0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 10.565 9.080 6.128) 15.219 2.598 ( 13.275 19.347 4.598) 23.909 3.110 ( 2.954 15.203 -5.095) 16.304 3.836 ( 11.228 14.206 5.014) 18.788 4.419 ( 15.752 14.456 -12.124) 24.578 5.067 ( 2.397 8.135 4.427) 9.567 6.808 ( 3.908 12.700 2.224) 13.473 7.331 ( -2.401 -5.413 -1.895) 6.218 8.167 ( 1.386 0.049 -1.422) 1.986 8.952 ( -5.608 -7.876 -11.276) 14.854 10.877 ( -12.894 -28.326 13.655) 33.986 13.701 ( -7.590 -0.867 -15.492) 17.273 ======================= Grid point 318 (107/417) ======================= q-point: ( 0.44 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 11.408 5.568 2.059) 12.860 2.954 ( 7.246 15.026 1.936) 16.794 3.324 ( 3.571 20.090 -3.645) 20.728 4.152 ( 10.140 9.761 4.779) 14.864 4.556 ( 1.299 -0.449 -13.308) 13.379 5.347 ( 11.346 14.119 6.170) 19.135 6.986 ( 0.386 14.314 1.510) 14.398 7.296 ( 3.893 -2.922 -1.417) 5.069 8.233 ( 4.249 4.421 -0.896) 6.197 8.698 ( -9.189 -8.976 -10.287) 16.457 10.385 ( -18.832 -26.113 10.674) 33.919 13.544 ( -3.150 -2.818 -9.888) 10.753 ======================= Grid point 319 (108/417) ======================= q-point: ( 0.50 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 10.231 1.741 -1.674) 10.512 3.166 ( 1.793 14.073 -1.557) 14.272 3.568 ( 1.874 19.863 -0.661) 19.963 4.388 ( 5.987 6.351 2.266) 9.018 4.490 ( -1.335 -1.403 -7.327) 7.578 5.652 ( 8.889 8.145 3.522) 12.559 7.112 ( -2.516 15.151 0.651) 15.372 7.380 ( 8.484 -2.346 -0.937) 8.852 8.376 ( 4.911 7.007 0.291) 8.562 8.444 ( -6.739 -5.845 -7.614) 11.728 9.814 ( -23.821 -21.085 5.292) 32.249 13.478 ( 2.490 -4.997 -4.241) 7.011 ======================= Grid point 320 (109/417) ======================= q-point: ( 0.56 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 6.644 -1.983 -5.005) 8.551 3.293 ( -2.180 14.254 -3.699) 14.887 3.747 ( -2.267 16.793 1.690) 17.029 4.404 ( -1.816 1.822 -6.771) 7.244 4.551 ( 3.156 1.983 4.266) 5.665 5.829 ( 5.038 2.464 2.197) 6.023 7.206 ( -5.790 17.820 0.553) 18.745 7.489 ( 8.909 -6.636 -0.852) 11.142 8.322 ( 0.449 -1.740 -2.539) 3.111 8.541 ( 4.996 7.318 -0.386) 8.869 9.244 ( -23.801 -12.660 0.687) 26.967 13.488 ( 5.863 -6.794 -0.215) 8.977 ======================= Grid point 321 (110/417) ======================= q-point: (-0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( 1.596 -4.984 -7.113) 8.831 3.337 ( -6.902 13.048 -4.666) 15.481 3.833 ( -6.720 14.711 3.361) 16.519 4.400 ( 1.212 2.303 -4.974) 5.613 4.589 ( -0.940 -0.457 3.802) 3.943 5.891 ( 0.926 -1.672 2.144) 2.872 7.253 ( -10.732 19.132 0.630) 21.945 7.539 ( 8.257 -12.253 0.077) 14.776 8.374 ( 4.343 0.686 1.266) 4.576 8.677 ( 2.843 -0.614 -0.219) 2.916 8.844 ( -11.381 5.092 -4.006) 13.096 13.532 ( 7.036 -7.350 2.337) 10.440 ======================= Grid point 322 (111/417) ======================= q-point: (-0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( -3.374 -6.631 -7.293) 10.418 3.282 ( -11.392 10.734 -4.267) 16.224 3.821 ( -12.714 13.377 3.683) 18.819 4.422 ( 0.879 -3.121 -4.521) 5.564 4.573 ( -0.176 1.516 3.475) 3.795 5.835 ( -5.103 -4.722 2.780) 7.488 7.222 ( -12.899 15.468 1.176) 20.175 7.515 ( 3.923 -14.653 0.136) 15.169 8.428 ( -2.621 1.593 0.553) 3.117 8.586 ( -1.525 3.299 3.055) 4.748 9.040 ( 16.882 9.491 -7.846) 20.896 13.601 ( 7.851 -6.153 4.038) 10.761 ======================= Grid point 323 (112/417) ======================= q-point: (-0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( -7.728 -6.573 -5.669) 11.622 3.134 ( -15.327 7.604 -3.398) 17.443 3.688 ( -17.788 10.447 3.170) 20.871 4.295 ( -7.225 -7.195 -1.119) 10.258 4.672 ( 6.638 3.364 -0.823) 7.487 5.632 ( -13.689 -7.194 3.578) 15.873 7.132 ( -13.061 9.935 1.734) 16.502 7.412 ( 0.392 -11.456 0.032) 11.463 8.322 ( -7.961 1.058 -2.137) 8.310 8.757 ( 10.039 6.652 4.452) 12.839 9.451 ( 24.448 7.869 -8.250) 26.975 13.713 ( 9.416 -3.634 4.651) 11.113 ======================= Grid point 324 (113/417) ======================= q-point: (-0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -11.810 -5.060 -2.895) 13.171 2.882 ( -20.396 4.143 -2.214) 20.930 3.466 ( -18.216 6.117 1.965) 19.316 4.058 ( -12.464 -6.527 0.468) 14.077 4.809 ( 5.432 3.033 -5.712) 8.446 5.254 ( -22.456 -8.978 6.136) 24.950 6.982 ( -13.445 4.085 1.680) 14.152 7.344 ( 2.081 -5.747 0.107) 6.113 8.211 ( -5.236 1.610 -1.778) 5.760 9.004 ( 11.066 3.751 -0.112) 11.685 9.958 ( 29.060 7.215 -4.263) 30.244 13.876 ( 10.920 -1.461 3.119) 11.450 ======================= Grid point 325 (114/417) ======================= q-point: (-0.12 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -15.893 -2.521 0.458) 16.098 2.510 ( -26.011 1.517 -0.415) 26.059 3.227 ( -14.576 1.712 0.171) 14.677 3.753 ( -17.944 -4.112 1.616) 18.480 4.603 ( -31.287 -2.969 -5.840) 31.965 5.015 ( 2.997 -2.065 4.233) 5.582 6.781 ( -12.840 0.244 1.241) 12.902 7.378 ( 6.047 -1.528 -0.253) 6.242 8.174 ( -0.550 1.674 -1.125) 2.091 9.185 ( 8.038 0.999 -3.599) 8.864 10.532 ( 31.237 5.819 1.012) 31.791 14.055 ( 10.708 -1.213 -1.248) 10.849 ======================= Grid point 326 (115/417) ======================= q-point: (-0.06 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -19.349 0.837 4.291) 19.837 2.049 ( -29.262 0.861 1.847) 29.333 3.016 ( -10.259 -1.112 -1.552) 10.435 3.365 ( -26.920 -0.952 2.704) 27.073 3.970 ( -36.869 1.473 -2.065) 36.957 5.081 ( 4.175 -0.714 -0.929) 4.336 6.582 ( -10.414 -0.385 0.846) 10.455 7.508 ( 10.274 -0.242 -0.814) 10.309 8.208 ( 3.285 0.549 -0.603) 3.385 9.268 ( 2.600 0.379 -5.175) 5.804 11.111 ( 30.496 2.538 5.138) 31.030 14.184 ( 8.163 -2.630 -8.273) 11.916 ======================= Grid point 331 (116/417) ======================= q-point: ( 0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -0.000 13.833 14.296) 19.893 1.767 ( -0.000 23.928 5.494) 24.551 2.890 ( 0.000 6.443 -2.576) 6.939 3.271 ( -0.000 31.331 8.160) 32.376 3.533 ( 0.000 34.521 -7.073) 35.238 5.087 ( 0.000 -0.469 -2.999) 3.036 6.516 ( 0.000 7.873 1.485) 8.012 7.606 ( -0.000 -10.179 -1.057) 10.234 8.201 ( 0.000 -5.676 -1.273) 5.817 9.055 ( 0.000 3.533 -13.686) 14.135 11.443 ( -0.000 -31.667 9.140) 32.960 14.019 ( 0.000 5.069 -19.862) 20.499 ======================= Grid point 332 (117/417) ======================= q-point: ( 0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 3.145 11.702 10.815) 16.241 2.115 ( 11.476 21.586 4.634) 24.882 2.982 ( 3.658 8.656 -3.213) 9.931 3.569 ( 3.820 20.356 3.510) 21.006 3.944 ( 7.879 34.688 -5.834) 36.047 5.082 ( -0.886 3.279 -1.045) 3.554 6.637 ( 4.249 9.056 1.743) 10.154 7.483 ( -3.892 -7.066 -1.246) 8.163 8.144 ( -0.184 -3.981 -1.364) 4.212 9.021 ( 0.321 -3.150 -12.504) 12.899 11.129 ( -3.211 -33.160 10.859) 35.040 13.955 ( -4.943 2.593 -16.875) 17.775 ======================= Grid point 333 (118/417) ======================= q-point: ( 0.38 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 5.809 8.785 6.855) 12.566 2.554 ( 14.561 17.634 3.779) 23.178 3.166 ( 6.356 14.022 -3.972) 15.900 3.839 ( 6.802 14.643 2.784) 16.384 4.336 ( 8.278 18.505 -9.753) 22.497 5.150 ( 0.983 11.950 3.625) 12.527 6.849 ( 7.263 11.995 2.718) 14.283 7.342 ( -5.008 -4.179 -1.648) 6.728 8.123 ( 1.648 -1.219 -1.933) 2.818 8.907 ( -2.660 -7.829 -11.832) 14.435 10.770 ( -5.530 -33.102 12.305) 35.746 13.795 ( -9.030 0.406 -14.084) 16.735 ======================= Grid point 334 (119/417) ======================= q-point: ( 0.44 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 7.725 5.611 3.071) 10.029 2.940 ( 11.671 13.370 1.788) 17.838 3.433 ( 6.368 19.887 -3.395) 21.156 4.104 ( 9.107 9.817 3.113) 13.747 4.490 ( 2.281 4.004 -10.722) 11.671 5.375 ( 5.513 16.634 5.603) 18.398 7.095 ( 3.538 12.714 2.144) 13.370 7.255 ( -0.061 0.290 -0.016) 0.297 8.174 ( 5.091 2.137 -2.766) 6.175 8.709 ( -6.258 -8.470 -10.880) 15.142 10.373 ( -9.015 -31.340 11.274) 34.505 13.589 ( -8.786 -1.658 -10.557) 13.834 ======================= Grid point 335 (120/417) ======================= q-point: ( 0.50 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 8.223 2.495 -0.391) 8.602 3.225 ( 7.100 12.784 -1.120) 14.666 3.711 ( 3.856 18.974 -0.854) 19.381 4.353 ( 8.511 8.097 0.289) 11.751 4.482 ( -1.246 1.288 -5.318) 5.612 5.629 ( 5.585 10.417 4.265) 12.566 7.156 ( 1.740 -0.268 -1.745) 2.479 7.406 ( 1.895 15.915 4.574) 16.668 8.315 ( 8.084 4.707 -3.428) 9.963 8.484 ( -7.357 -5.532 -8.100) 12.262 9.926 ( -13.926 -26.561 7.417) 30.894 13.420 ( -3.942 -4.277 -6.252) 8.539 ======================= Grid point 336 (121/417) ======================= q-point: ( 0.56 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 6.680 -0.340 -3.441) 7.522 3.429 ( 2.254 14.336 -3.481) 14.924 3.912 ( 1.299 12.836 2.365) 13.116 4.420 ( -1.290 1.212 -7.561) 7.766 4.579 ( 2.934 10.235 4.071) 11.399 5.782 ( 3.815 2.536 3.162) 5.566 7.203 ( 6.330 -3.294 -1.392) 7.270 7.583 ( -3.392 19.131 4.311) 19.902 8.308 ( -3.237 -3.294 -5.578) 7.242 8.504 ( 6.597 5.862 -1.798) 9.007 9.455 ( -17.034 -17.715 2.594) 24.712 13.337 ( 2.211 -6.975 -2.303) 7.671 ======================= Grid point 337 (122/417) ======================= q-point: ( 0.62 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 3.169 -2.558 -5.444) 6.799 3.552 ( -3.310 15.042 -4.896) 16.162 4.031 ( -0.546 8.588 4.683) 9.797 4.388 ( -0.284 -0.928 -3.682) 3.808 4.691 ( -4.086 12.115 0.886) 12.816 5.842 ( 2.754 -3.200 2.798) 5.065 7.276 ( 7.675 -6.625 -0.748) 10.167 7.667 ( -10.669 18.633 2.897) 21.666 8.296 ( 5.122 0.660 -0.270) 5.172 8.621 ( 3.194 1.072 -1.456) 3.670 9.070 ( -14.133 -4.462 -2.166) 14.978 13.336 ( 6.623 -8.361 0.451) 10.676 ======================= Grid point 338 (123/417) ======================= q-point: (-0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( -1.144 -3.576 -5.616) 6.756 3.567 ( -9.592 13.453 -4.946) 17.247 4.101 ( -3.187 8.201 5.387) 10.317 4.360 ( 0.666 -4.237 -2.012) 4.737 4.687 ( -8.350 10.018 -0.840) 13.068 5.835 ( 0.324 -5.776 2.816) 6.434 7.308 ( 5.433 -9.842 -0.163) 11.243 7.615 ( -14.361 13.935 1.775) 20.089 8.450 ( 5.516 5.845 4.648) 9.284 8.625 ( -0.129 -2.260 -0.753) 2.386 8.928 ( 0.017 4.753 -7.293) 8.705 13.395 ( 9.062 -7.587 1.927) 11.975 ======================= Grid point 339 (124/417) ======================= q-point: (-0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( -5.116 -3.027 -3.978) 7.153 3.459 ( -14.504 9.393 -3.821) 17.697 4.081 ( -12.374 8.866 4.073) 15.758 4.298 ( -1.809 -6.097 -1.389) 6.510 4.651 ( -2.248 5.108 -1.525) 5.785 5.746 ( -5.745 -5.882 2.855) 8.704 7.275 ( 2.375 -9.132 0.169) 9.437 7.483 ( -14.848 8.686 1.768) 17.292 8.479 ( -7.952 3.727 -2.165) 9.045 8.684 ( 6.074 2.990 4.377) 8.062 9.118 ( 18.469 4.474 -6.293) 20.018 13.506 ( 10.689 -5.175 1.976) 12.039 ======================= Grid point 340 (125/417) ======================= q-point: (-0.19 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -8.671 -1.095 -1.268) 8.832 3.241 ( -17.919 4.619 -2.269) 18.643 3.867 ( -20.457 4.115 0.435) 20.872 4.174 ( -7.092 -3.493 1.272) 8.008 4.716 ( 5.509 2.345 -3.331) 6.852 5.529 ( -15.155 -4.852 3.214) 16.234 7.227 ( -2.490 -3.464 0.710) 4.325 7.304 ( -10.949 2.072 0.998) 11.188 8.346 ( -8.966 2.311 -1.911) 9.454 8.846 ( 9.798 0.834 -2.075) 10.050 9.541 ( 26.035 4.956 0.388) 26.506 13.664 ( 11.813 -2.896 0.111) 12.164 ======================= Grid point 341 (126/417) ======================= q-point: (-0.12 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -12.285 1.703 1.676) 12.515 2.930 ( -21.720 1.233 -0.350) 21.757 3.523 ( -19.814 -1.657 -1.656) 19.952 3.997 ( -12.716 0.195 2.207) 12.907 4.819 ( 4.155 2.656 -8.157) 9.532 5.171 ( -22.900 -3.117 6.208) 23.931 7.024 ( -14.934 -0.977 1.332) 15.026 7.283 ( 3.439 -0.183 -0.707) 3.515 8.234 ( -5.367 1.089 -0.880) 5.546 9.008 ( 10.846 -1.027 -5.907) 12.393 10.069 ( 29.667 3.423 5.921) 30.445 13.834 ( 11.640 -2.401 -3.905) 12.510 ======================= Grid point 342 (127/417) ======================= q-point: (-0.06 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -15.948 4.837 4.246) 17.198 2.534 ( -25.803 0.312 2.007) 25.883 3.193 ( -14.343 -3.713 -3.042) 15.125 3.759 ( -18.354 3.136 2.257) 18.757 4.611 ( -31.403 7.549 -5.644) 32.787 4.989 ( 3.554 -2.657 2.270) 4.984 6.776 ( -12.648 -1.400 0.769) 12.748 7.366 ( 6.028 0.985 -1.324) 6.250 8.184 ( -0.802 -0.329 -0.174) 0.884 9.146 ( 9.032 -1.231 -6.874) 11.417 10.628 ( 30.645 -0.141 9.846) 32.188 13.966 ( 9.728 -3.630 -9.671) 14.189 ======================= Grid point 348 (128/417) ======================= q-point: ( 0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -0.000 9.949 8.334) 12.979 2.229 ( 0.000 19.671 4.030) 20.079 3.012 ( 0.000 8.025 -2.945) 8.548 3.733 ( 0.000 18.002 0.023) 18.002 4.187 ( 0.000 28.582 -5.912) 29.187 5.148 ( 0.000 9.659 1.277) 9.743 6.676 ( 0.000 6.977 0.812) 7.024 7.460 ( 0.000 -3.820 -1.133) 3.984 8.114 ( 0.000 -1.839 -0.639) 1.947 8.928 ( 0.000 -6.643 -12.650) 14.288 10.854 ( -0.000 -35.063 10.790) 36.686 13.972 ( 0.000 2.160 -13.971) 14.137 ======================= Grid point 349 (129/417) ======================= q-point: ( 0.38 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 2.181 7.276 5.408) 9.324 2.510 ( 10.015 15.626 3.143) 18.824 3.150 ( 7.146 10.729 -2.998) 13.235 3.907 ( 2.210 13.668 -1.418) 13.918 4.404 ( 1.689 15.814 -7.006) 17.379 5.292 ( 0.534 17.195 3.643) 17.585 6.810 ( 8.042 6.910 0.998) 10.649 7.396 ( -4.321 -0.790 -1.610) 4.678 8.105 ( -0.338 1.129 -0.556) 1.303 8.808 ( -0.239 -9.030 -11.887) 14.930 10.530 ( -1.763 -35.305 11.142) 37.064 13.894 ( -6.135 1.101 -11.517) 13.095 ======================= Grid point 350 (130/417) ======================= q-point: ( 0.44 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 4.407 4.542 2.674) 6.871 2.848 ( 12.917 10.762 1.662) 16.895 3.442 ( 12.241 15.904 -2.582) 20.235 4.063 ( 4.969 7.365 -1.880) 9.081 4.507 ( -0.140 7.850 -5.355) 9.503 5.505 ( 1.791 18.020 3.844) 18.512 7.086 ( 13.104 9.817 2.058) 16.503 7.298 ( -5.651 0.635 -1.552) 5.895 8.130 ( 1.368 3.430 -1.462) 3.972 8.665 ( -2.247 -7.958 -10.641) 13.476 10.184 ( -3.238 -34.263 10.624) 36.018 13.718 ( -10.533 -0.147 -9.245) 14.016 ======================= Grid point 351 (131/417) ======================= q-point: ( 0.50 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 5.946 2.251 0.298) 6.364 3.160 ( 12.341 8.968 -0.183) 15.257 3.790 ( 7.996 17.032 -1.257) 18.858 4.232 ( 10.742 3.846 -3.649) 11.980 4.538 ( -2.033 5.432 -0.832) 5.859 5.698 ( 1.378 12.283 3.084) 12.739 7.179 ( -4.974 1.513 -2.170) 5.634 7.464 ( 12.235 12.599 5.116) 18.292 8.216 ( 5.442 4.330 -3.670) 7.864 8.514 ( -4.542 -3.784 -8.523) 10.373 9.825 ( -5.219 -31.145 8.554) 32.718 13.496 ( -10.675 -1.872 -6.687) 12.735 ======================= Grid point 352 (132/417) ======================= q-point: ( 0.56 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 5.958 0.469 -1.708) 6.216 3.439 ( 9.909 10.028 -2.034) 14.244 3.990 ( 1.753 8.451 1.670) 8.791 4.424 ( 2.783 5.510 -9.040) 10.947 4.613 ( 6.539 8.767 5.634) 12.303 5.796 ( -0.703 4.243 2.624) 5.038 7.128 ( -0.699 -0.280 -1.397) 1.587 7.771 ( 5.146 15.171 6.556) 17.309 8.313 ( -0.457 -0.103 -6.801) 6.817 8.444 ( 3.510 4.730 -4.429) 7.370 9.468 ( -7.114 -24.145 5.247) 25.712 13.300 ( -6.208 -4.209 -3.845) 8.428 ======================= Grid point 353 (133/417) ======================= q-point: ( 0.62 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 4.126 -0.753 -3.101) 5.216 3.668 ( 5.043 12.321 -3.979) 13.895 4.076 ( 1.917 2.728 4.057) 5.251 4.395 ( -3.829 -0.547 -2.964) 4.873 4.876 ( 3.862 17.418 0.167) 17.842 5.783 ( -0.934 -4.522 2.732) 5.365 7.135 ( 2.988 -2.323 -0.621) 3.835 7.977 ( -2.429 15.615 5.783) 16.828 8.239 ( -0.475 -0.742 -3.569) 3.676 8.572 ( 4.130 3.098 -3.487) 6.230 9.178 ( -6.960 -11.456 0.986) 13.441 13.192 ( 0.549 -6.107 -1.291) 6.266 ======================= Grid point 354 (134/417) ======================= q-point: (-0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 0.987 -1.055 -3.256) 3.562 3.804 ( -3.020 13.964 -5.529) 15.320 4.151 ( 2.606 1.616 4.646) 5.567 4.301 ( -1.701 -6.783 0.380) 7.004 5.010 ( -9.823 18.927 -2.254) 21.443 5.732 ( 3.243 -10.053 3.068) 10.999 7.160 ( 3.492 -4.228 -0.220) 5.489 7.954 ( -12.339 7.542 1.181) 14.509 8.374 ( 11.149 5.081 3.942) 12.871 8.594 ( -0.260 -0.881 -2.343) 2.517 9.016 ( -6.287 0.068 -3.459) 7.176 13.191 ( 6.431 -5.970 0.225) 8.777 ======================= Grid point 355 (135/417) ======================= q-point: (-0.25 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( -2.435 -0.068 -1.895) 3.086 3.772 ( -12.666 9.663 -4.467) 16.545 4.193 ( 0.506 -1.691 -3.862) 4.246 4.261 ( 2.580 -3.712 8.234) 9.393 4.901 ( -17.021 9.791 -2.524) 19.798 5.722 ( 2.815 -6.233 2.368) 7.238 7.167 ( 2.388 -3.878 -0.219) 4.560 7.791 ( -13.415 3.384 1.714) 13.941 8.578 ( 0.863 -0.063 -4.069) 4.160 8.625 ( 6.959 3.096 5.461) 9.372 8.943 ( 1.217 3.137 -3.664) 4.975 13.286 ( 9.904 -3.762 0.165) 10.596 ======================= Grid point 356 (136/417) ======================= q-point: (-0.19 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( -5.583 2.076 0.442) 5.973 3.561 ( -16.647 2.102 -2.100) 16.910 4.109 ( -7.005 -3.728 -6.469) 10.238 4.283 ( -4.051 1.537 8.500) 9.540 4.711 ( -6.852 1.165 -2.991) 7.567 5.678 ( -5.157 -1.532 1.667) 5.632 7.179 ( 1.887 -0.253 -0.589) 1.993 7.572 ( -14.946 -0.781 1.995) 15.099 8.524 ( -8.926 1.890 -1.576) 9.259 8.678 ( 6.589 -4.206 -5.089) 9.328 9.199 ( 19.854 4.466 4.955) 20.944 13.441 ( 11.201 -1.329 -1.612) 11.394 ======================= Grid point 357 (137/417) ======================= q-point: (-0.12 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -8.657 4.820 2.801) 10.297 3.261 ( -18.002 -1.846 -0.367) 18.100 3.808 ( -18.515 -6.652 -4.408) 20.162 4.212 ( -9.233 3.602 4.518) 10.892 4.707 ( 5.467 -0.749 -4.438) 7.081 5.514 ( -15.075 1.756 1.868) 15.292 7.205 ( -3.484 1.063 -1.281) 3.862 7.310 ( -10.153 -1.805 1.424) 10.410 8.365 ( -9.178 0.084 -0.062) 9.179 8.769 ( 10.983 -4.099 -8.351) 14.393 9.645 ( 25.983 1.125 9.158) 27.573 13.611 ( 10.752 -0.485 -4.872) 11.814 ======================= Grid point 358 (138/417) ======================= q-point: (-0.06 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -12.057 7.583 4.345) 14.891 2.921 ( -20.014 -2.363 1.581) 20.215 3.404 ( -17.809 -6.891 -3.883) 19.487 4.076 ( -13.387 5.229 2.436) 14.576 4.789 ( 6.007 -0.313 -8.188) 10.160 5.230 ( -22.784 5.249 4.107) 23.739 6.967 ( -12.990 -5.067 0.196) 13.944 7.327 ( 1.585 5.449 -1.392) 5.843 8.236 ( -5.732 -0.501 0.599) 5.785 8.901 ( 12.748 -4.452 -8.932) 16.190 10.142 ( 29.282 -3.221 12.245) 31.902 13.746 ( 8.836 -1.499 -9.155) 12.811 ======================= Grid point 365 (139/417) ======================= q-point: ( 0.38 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -0.000 4.958 2.870) 5.729 2.571 ( 0.000 12.680 2.674) 12.958 3.168 ( 0.000 9.850 -2.613) 10.191 4.000 ( 0.000 10.136 -3.882) 10.854 4.506 ( 0.000 11.267 -4.668) 12.196 5.480 ( 0.000 18.961 3.003) 19.197 6.774 ( 0.000 2.649 -0.343) 2.671 7.442 ( 0.000 2.924 -1.867) 3.469 8.140 ( 0.000 4.533 0.385) 4.550 8.675 ( 0.000 -9.618 -10.635) 14.340 10.233 ( -0.000 -35.458 10.281) 36.918 13.926 ( 0.000 1.142 -9.074) 9.146 ======================= Grid point 366 (140/417) ======================= q-point: ( 0.44 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 1.971 2.666 1.070) 3.484 2.760 ( 8.393 8.575 1.626) 12.109 3.355 ( 10.855 11.507 -2.011) 15.946 4.070 ( 0.944 5.269 -4.394) 6.925 4.587 ( -0.701 8.772 -2.365) 9.112 5.666 ( 0.534 15.854 1.743) 15.959 6.904 ( 12.951 2.450 -0.126) 13.181 7.426 ( -5.799 4.926 -2.225) 7.928 8.184 ( -1.363 6.361 0.484) 6.523 8.566 ( 0.820 -7.112 -8.742) 11.300 9.914 ( -1.073 -34.316 9.247) 35.557 13.849 ( -6.938 0.773 -7.162) 10.002 ======================= Grid point 367 (141/417) ======================= q-point: ( 0.50 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 4.066 1.158 0.160) 4.231 3.014 ( 12.571 5.951 0.524) 13.918 3.721 ( 17.038 13.280 -1.232) 21.637 4.116 ( 3.175 1.327 -3.794) 5.122 4.633 ( -2.253 6.596 -0.292) 6.977 5.810 ( 0.383 10.719 0.919) 10.765 7.244 ( 20.152 5.647 0.287) 20.931 7.338 ( -7.381 4.056 -1.174) 8.503 8.225 ( -0.645 6.006 -0.801) 6.094 8.504 ( -0.389 -1.394 -6.658) 6.814 9.593 ( -1.771 -32.020 7.842) 33.014 13.668 ( -11.943 0.086 -5.532) 13.163 ======================= Grid point 368 (142/417) ======================= q-point: ( 0.56 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 5.183 0.397 -0.383) 5.212 3.298 ( 14.104 5.427 -0.286) 15.115 4.034 ( 2.945 6.950 0.836) 7.594 4.284 ( 17.493 6.689 -5.823) 19.613 4.641 ( -2.168 3.293 2.716) 4.787 5.883 ( -1.933 5.572 0.816) 5.954 7.212 ( -7.890 3.033 -1.570) 8.597 7.692 ( 19.784 7.220 3.476) 21.345 8.286 ( 2.302 5.718 -4.108) 7.407 8.474 ( -2.240 3.749 -4.280) 6.114 9.293 ( -1.457 -27.815 6.322) 28.562 13.431 ( -12.840 -1.010 -3.812) 13.432 ======================= Grid point 369 (143/417) ======================= q-point: ( 0.62 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 4.727 0.085 -0.870) 4.807 3.585 ( 13.251 5.947 -1.076) 14.564 4.084 ( 0.404 1.251 2.050) 2.435 4.481 ( -4.157 4.355 -5.063) 7.867 4.812 ( 17.498 7.430 2.925) 19.234 5.842 ( -6.806 -0.112 0.902) 6.867 7.130 ( -3.412 0.927 -0.578) 3.583 8.023 ( 10.401 5.555 4.508) 12.624 8.318 ( -5.707 4.964 -3.728) 8.433 8.526 ( 4.502 6.415 -4.828) 9.205 9.076 ( 1.839 -18.667 4.501) 19.290 13.216 ( -8.813 -2.167 -1.932) 9.279 ======================= Grid point 370 (144/417) ======================= q-point: ( 0.69 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 2.966 0.359 -0.949) 3.135 3.842 ( 9.682 7.270 -2.607) 12.385 4.114 ( 2.192 -1.210 3.988) 4.709 4.356 ( -9.270 -1.351 -2.050) 9.589 5.193 ( 12.665 13.013 -0.466) 18.165 5.658 ( -9.830 -8.366 1.283) 12.971 7.106 ( 0.159 -0.522 -0.087) 0.553 8.199 ( -10.380 2.231 -1.043) 10.668 8.231 ( 9.489 2.079 2.819) 10.115 8.600 ( -0.167 2.365 -2.350) 3.339 9.033 ( 3.021 -3.810 0.478) 4.886 13.101 ( -1.348 -2.118 -0.440) 2.549 ======================= Grid point 371 (145/417) ======================= q-point: (-0.25 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 0.553 1.600 -0.104) 1.696 4.000 ( -1.715 8.987 -5.837) 10.852 4.131 ( -0.671 -11.465 4.339) 12.277 4.204 ( 0.047 2.570 1.205) 2.839 5.286 ( -19.301 3.609 -1.529) 19.695 5.548 ( 11.998 -3.986 1.546) 12.737 7.117 ( 1.469 0.043 -0.136) 1.476 8.023 ( -11.777 -0.004 1.360) 11.855 8.406 ( 10.679 -3.132 -2.327) 11.370 8.606 ( 0.566 1.287 1.144) 1.813 9.026 ( -3.393 2.229 -0.101) 4.061 13.128 ( 5.603 -0.082 -0.255) 5.609 ======================= Grid point 372 (146/417) ======================= q-point: (-0.19 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -2.042 3.777 1.543) 4.562 3.815 ( -14.541 -4.751 -0.796) 15.319 4.097 ( 0.582 -1.805 -5.649) 5.959 4.306 ( 4.155 2.090 5.525) 7.222 4.920 ( -17.725 -7.381 -0.604) 19.209 5.698 ( 3.410 3.471 0.225) 4.871 7.163 ( 2.127 3.795 -0.514) 4.381 7.794 ( -13.786 -4.580 1.977) 14.660 8.488 ( 6.716 -5.333 -7.398) 11.326 8.631 ( -1.332 -1.289 1.126) 2.169 9.040 ( 4.591 3.002 5.151) 7.525 13.267 ( 8.949 2.502 -1.616) 9.432 ======================= Grid point 373 (147/417) ======================= q-point: (-0.12 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -4.740 6.344 3.209) 8.545 3.500 ( -15.209 -6.895 -0.030) 16.699 3.967 ( -10.249 -7.068 -5.494) 13.608 4.377 ( -2.389 3.428 5.340) 6.780 4.640 ( -4.145 -5.419 -2.918) 7.420 5.717 ( -5.502 4.055 0.249) 6.839 7.254 ( 1.107 8.087 -1.632) 8.324 7.484 ( -14.269 -9.078 1.712) 16.998 8.489 ( -0.960 -5.923 -2.475) 6.490 8.562 ( 0.025 0.167 -5.058) 5.061 9.281 ( 19.102 -2.559 8.328) 20.995 13.444 ( 8.877 3.659 -3.911) 10.368 ======================= Grid point 374 (148/417) ======================= q-point: (-0.06 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -7.730 8.822 4.047) 12.408 3.178 ( -15.240 -6.121 0.699) 16.439 3.615 ( -17.136 -9.367 -3.545) 19.848 4.325 ( -8.949 5.181 2.386) 10.612 4.635 ( 6.449 -2.924 -4.997) 8.666 5.602 ( -13.412 5.494 0.836) 14.517 7.110 ( -12.559 -9.619 -0.467) 15.826 7.401 ( -0.534 10.752 -0.945) 10.806 8.358 ( -8.076 -0.822 1.385) 8.235 8.613 ( 10.104 -5.463 -8.592) 14.344 9.653 ( 26.536 -7.732 10.100) 29.428 13.593 ( 6.737 2.797 -6.542) 9.799 ======================= Grid point 382 (149/417) ======================= q-point: ( 0.44 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 0.000 0.827 -0.102) 0.834 2.764 ( -0.000 6.145 1.343) 6.290 3.349 ( 0.000 9.457 -1.603) 9.592 4.088 ( 0.000 2.790 -4.214) 5.054 4.673 ( 0.000 8.210 -1.068) 8.279 5.796 ( 0.000 11.152 -0.155) 11.153 6.785 ( 0.000 -0.591 -0.870) 1.051 7.538 ( 0.000 7.846 -2.342) 8.188 8.273 ( 0.000 7.679 0.802) 7.720 8.466 ( 0.000 -5.013 -5.931) 7.766 9.624 ( -0.000 -32.418 7.547) 33.285 13.899 ( 0.000 1.050 -5.368) 5.470 ======================= Grid point 383 (150/417) ======================= q-point: ( 0.50 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 2.294 -0.040 0.222) 2.305 2.885 ( 7.851 3.932 0.833) 8.820 3.546 ( 13.190 8.495 -1.129) 15.730 4.097 ( 0.271 1.118 -2.735) 2.967 4.730 ( -1.557 6.300 -0.463) 6.506 5.886 ( 0.637 6.788 -0.932) 6.881 6.922 ( 16.786 0.224 -0.496) 16.795 7.540 ( -7.868 7.512 -2.029) 11.066 8.314 ( -2.653 5.619 -0.085) 6.215 8.461 ( 3.087 1.098 -3.305) 4.654 9.336 ( -0.919 -29.371 5.862) 29.965 13.828 ( -7.495 0.944 -4.051) 8.572 ======================= Grid point 384 (151/417) ======================= q-point: ( 0.56 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 4.226 -0.029 1.057) 4.356 3.101 ( 13.087 2.724 0.641) 13.383 3.925 ( 21.088 7.807 -0.603) 22.495 4.105 ( 1.317 -0.053 -1.522) 2.014 4.734 ( -3.547 3.393 0.045) 4.909 5.945 ( 0.243 3.816 -0.669) 3.881 7.319 ( 26.290 2.338 -0.603) 26.401 7.423 ( -11.023 4.595 -0.511) 11.953 8.334 ( -0.969 7.050 -1.951) 7.379 8.520 ( 0.784 4.034 -1.450) 4.358 9.065 ( -1.198 -25.628 4.772) 26.096 13.647 ( -12.950 0.654 -2.879) 13.283 ======================= Grid point 385 (152/417) ======================= q-point: ( 0.62 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 4.861 0.185 1.282) 5.030 3.371 ( 15.482 2.001 0.795) 15.631 4.099 ( -0.270 0.650 1.305) 1.483 4.396 ( 23.130 6.158 -3.973) 24.263 4.682 ( -3.356 -0.713 2.021) 3.982 5.947 ( -3.499 1.333 -0.452) 3.771 7.259 ( -9.945 2.005 -0.363) 10.152 7.785 ( 22.512 1.179 0.150) 22.543 8.429 ( 1.682 12.553 -3.819) 13.229 8.537 ( -1.685 2.589 -1.009) 3.250 8.850 ( 1.777 -20.559 5.338) 21.315 13.408 ( -14.243 0.443 -1.504) 14.329 ======================= Grid point 386 (153/417) ======================= q-point: (-0.31 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 4.391 0.567 1.004) 4.540 3.653 ( 15.277 0.893 1.200) 15.350 4.100 ( -0.154 -0.667 1.934) 2.052 4.509 ( -8.437 1.526 -3.996) 9.460 4.900 ( 24.089 -0.928 2.096) 24.198 5.829 ( -10.569 -0.625 -0.993) 10.634 7.144 ( -4.731 0.330 0.281) 4.751 8.050 ( 10.953 -2.585 -2.055) 11.440 8.407 ( -9.505 1.909 2.074) 9.914 8.628 ( 0.497 6.716 -3.680) 7.674 8.840 ( 13.047 -6.298 3.646) 14.939 13.197 ( -10.130 1.048 -0.047) 10.184 ======================= Grid point 387 (154/417) ======================= q-point: (-0.25 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( 3.379 1.618 0.991) 3.875 3.892 ( 12.184 -2.742 2.073) 12.660 4.085 ( -0.779 -3.158 1.565) 3.609 4.346 ( -9.532 2.629 -3.153) 10.379 5.218 ( 15.075 -12.620 2.006) 19.762 5.620 ( -11.854 6.450 -2.403) 13.707 7.110 ( -0.069 0.859 0.249) 0.897 8.120 ( 2.458 -7.144 -4.723) 8.910 8.287 ( -4.463 0.771 4.458) 6.355 8.631 ( -1.591 1.107 0.464) 1.993 9.025 ( 5.931 2.511 -0.233) 6.445 13.113 ( -2.071 3.228 0.642) 3.889 ======================= Grid point 388 (155/417) ======================= q-point: (-0.19 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 1.964 3.525 1.583) 4.334 3.901 ( -4.697 -14.160 3.297) 15.278 4.054 ( 1.079 0.138 -3.321) 3.495 4.306 ( 0.316 6.378 0.124) 6.387 5.045 ( -10.129 -19.270 0.996) 21.792 5.682 ( 4.135 9.404 -1.465) 10.377 7.162 ( 3.107 4.595 0.008) 5.547 7.942 ( -10.023 -10.724 -0.166) 14.679 8.315 ( 4.905 -1.924 -1.592) 5.504 8.628 ( 0.100 0.812 0.886) 1.206 9.065 ( -1.981 0.428 1.278) 2.396 13.188 ( 4.722 6.018 -0.112) 7.651 ======================= Grid point 389 (156/417) ======================= q-point: (-0.12 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( -0.064 5.821 2.357) 6.281 3.632 ( -10.834 -12.073 0.913) 16.247 4.000 ( -4.044 -6.362 -3.388) 8.265 4.405 ( 2.924 4.562 1.891) 5.740 4.694 ( -10.218 -12.365 -0.282) 16.043 5.798 ( 0.752 5.213 -0.530) 5.294 7.301 ( 4.276 10.274 -0.738) 11.153 7.606 ( -13.406 -15.733 0.790) 20.685 8.362 ( 3.660 -1.699 -3.786) 5.533 8.638 ( -2.120 1.396 0.279) 2.554 9.045 ( 4.551 -5.989 4.014) 8.526 13.356 ( 6.843 7.360 -1.685) 10.190 ======================= Grid point 390 (157/417) ======================= q-point: (-0.06 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( -2.646 8.020 2.616) 8.841 3.333 ( -11.945 -9.465 0.248) 15.242 3.754 ( -12.102 -11.251 -2.323) 16.687 4.484 ( -1.090 4.333 2.365) 5.055 4.509 ( -0.363 -4.861 -3.504) 6.003 5.804 ( -5.135 4.160 -0.071) 6.609 7.206 ( -12.805 -14.432 -0.433) 19.298 7.505 ( 3.252 13.526 -0.712) 13.930 8.385 ( 2.555 -1.608 -3.277) 4.455 8.549 ( -8.066 -0.288 -0.686) 8.100 9.182 ( 19.683 -12.038 5.463) 23.710 13.524 ( 5.304 6.456 -3.174) 8.937 ======================= Grid point 399 (158/417) ======================= q-point: ( 0.50 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( -0.000 -0.432 1.626) 1.682 2.850 ( -0.000 2.324 0.810) 2.461 3.492 ( 0.000 5.590 -0.887) 5.660 4.098 ( 0.000 0.783 -1.139) 1.382 4.797 ( 0.000 4.630 -0.687) 4.681 5.925 ( 0.000 3.686 -1.358) 3.929 6.762 ( 0.000 -0.815 -0.415) 0.915 7.687 ( 0.000 7.822 -1.509) 7.967 8.411 ( 0.000 5.274 0.357) 5.286 8.416 ( 0.000 2.191 -1.691) 2.767 9.096 ( -0.000 -24.406 3.563) 24.665 13.893 ( 0.000 1.115 -2.926) 3.131 ======================= Grid point 400 (159/417) ======================= q-point: ( 0.56 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 2.432 -0.071 3.494) 4.258 2.938 ( 7.973 1.065 0.895) 8.094 3.656 ( 14.198 3.206 -0.780) 14.576 4.104 ( 0.003 0.751 0.630) 0.980 4.810 ( -2.100 2.180 -0.926) 3.165 5.957 ( 0.884 1.974 -0.763) 2.294 6.921 ( 18.657 0.071 -0.165) 18.658 7.659 ( -9.799 4.604 -0.226) 10.829 8.418 ( -1.258 6.249 -1.117) 6.472 8.507 ( 3.882 2.004 0.247) 4.375 8.886 ( -1.666 -17.406 1.680) 17.566 13.828 ( -7.714 1.090 -2.037) 8.053 ======================= Grid point 401 (160/417) ======================= q-point: (-0.38 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 3.921 0.109 3.958) 5.572 3.133 ( 13.564 -0.045 1.414) 13.638 3.997 ( 22.779 -0.042 -1.585) 22.834 4.118 ( 0.505 1.419 2.754) 3.139 4.760 ( -4.427 -0.328 -1.159) 4.588 5.978 ( 0.023 0.338 -0.507) 0.610 7.333 ( 26.878 -0.132 -1.501) 26.920 7.484 ( -12.149 0.807 1.424) 12.259 8.473 ( 1.886 3.854 -1.354) 4.500 8.576 ( 2.234 0.340 2.071) 3.065 8.725 ( -3.712 -4.832 -0.090) 6.094 13.653 ( -13.163 1.248 -0.957) 13.257 ======================= Grid point 402 (161/417) ======================= q-point: (-0.31 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 4.549 -0.003 2.944) 5.419 3.386 ( 15.923 -1.645 2.293) 16.171 4.107 ( -0.186 -0.966 2.005) 2.233 4.428 ( 24.845 -1.261 -1.304) 24.911 4.652 ( -5.796 -2.491 -0.324) 6.317 5.938 ( -4.100 -1.726 -1.321) 4.641 7.273 ( -10.240 -0.873 0.961) 10.322 7.749 ( 20.574 -3.724 -3.242) 21.159 8.489 ( 0.889 -7.959 2.343) 8.344 8.615 ( 3.694 -4.909 6.156) 8.697 8.739 ( -0.637 19.865 -5.488) 20.619 13.429 ( -14.142 2.102 0.507) 14.306 ======================= Grid point 403 (162/417) ======================= q-point: (-0.25 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 4.977 0.316 1.637) 5.249 3.630 ( 14.710 -5.053 3.508) 15.945 4.085 ( -1.333 -2.449 2.005) 3.435 4.498 ( -7.508 0.570 -4.261) 8.652 4.799 ( 21.082 -10.365 2.337) 23.608 5.807 ( -7.664 -0.933 -2.505) 8.117 7.146 ( -3.960 -0.283 0.927) 4.077 7.913 ( 8.824 -8.639 -5.676) 13.591 8.416 ( -4.903 -1.536 5.719) 7.688 8.628 ( 2.343 -5.770 4.482) 7.673 8.977 ( 5.239 17.362 -4.852) 18.774 13.256 ( -9.396 4.248 1.855) 10.477 ======================= Grid point 404 (163/417) ======================= q-point: (-0.19 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 5.283 1.532 0.823) 5.562 3.754 ( 6.402 -12.712 4.298) 14.867 4.037 ( -0.843 -2.890 0.424) 3.041 4.399 ( -4.306 4.097 -2.815) 6.577 4.891 ( 4.974 -19.197 1.655) 19.899 5.728 ( -0.895 4.233 -2.463) 4.978 7.150 ( 2.542 3.049 0.774) 4.044 7.865 ( 1.018 -14.996 -4.859) 15.797 8.344 ( -5.355 1.632 6.523) 8.596 8.625 ( 1.556 -3.140 1.572) 3.841 9.131 ( -2.247 9.957 -3.605) 10.826 13.227 ( -1.388 7.179 2.066) 7.598 ======================= Grid point 405 (164/417) ======================= q-point: (-0.12 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 4.806 3.379 0.427) 5.891 3.627 ( -3.952 -15.421 1.858) 16.028 3.981 ( -2.257 -7.194 0.332) 7.547 4.418 ( 1.010 4.895 -0.683) 5.045 4.689 ( -4.988 -15.524 0.555) 16.315 5.800 ( 3.559 3.310 -0.966) 4.955 7.292 ( 7.174 8.008 0.858) 10.785 7.619 ( -8.228 -19.188 -1.741) 20.950 8.329 ( -0.377 1.656 2.840) 3.309 8.638 ( 2.398 -1.368 0.252) 2.773 9.075 ( -9.580 2.384 -1.854) 10.045 13.342 ( 4.036 8.822 1.086) 9.762 ======================= Grid point 406 (165/417) ======================= q-point: (-0.06 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 3.068 5.314 -0.000) 6.136 3.391 ( -7.281 -12.611 -0.000) 14.562 3.795 ( -7.400 -12.817 -0.000) 14.800 4.453 ( -1.039 -1.799 -0.000) 2.077 4.547 ( -0.266 -0.460 -0.000) 0.531 5.866 ( 1.062 1.840 -0.000) 2.125 7.247 ( -10.940 -18.948 -0.000) 21.880 7.537 ( 7.763 13.446 -0.000) 15.526 8.361 ( 0.965 1.672 0.000) 1.931 8.679 ( 0.818 1.417 -0.000) 1.636 8.888 ( -5.246 -9.086 -0.000) 10.492 13.507 ( 4.595 7.958 0.000) 9.189 ======================= Grid point 417 (166/417) ======================= q-point: (-0.44 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -0.000 0.234 6.258) 6.262 2.875 ( -0.000 -0.219 0.879) 0.906 3.546 ( 0.000 0.319 -0.563) 0.647 4.118 ( -0.000 1.083 2.384) 2.618 4.836 ( 0.000 0.036 -1.452) 1.452 5.961 ( 0.000 0.782 0.027) 0.783 6.757 ( -0.000 0.289 0.438) 0.524 7.788 ( -0.000 1.594 1.694) 2.326 8.463 ( 0.000 -0.250 -0.403) 0.474 8.469 ( 0.000 0.293 -0.195) 0.352 8.805 ( 0.000 -1.866 -1.011) 2.122 13.900 ( 0.000 1.144 -1.440) 1.839 ======================= Grid point 418 (167/417) ======================= q-point: (-0.38 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 1.826 -0.068 6.965) 7.201 2.942 ( 8.209 -1.487 1.271) 8.439 3.657 ( 14.068 -2.526 -0.621) 14.306 4.141 ( -0.054 1.330 4.131) 4.341 4.801 ( -2.226 -2.114 -1.912) 3.616 5.967 ( 0.521 -1.093 0.087) 1.214 6.925 ( 18.111 0.257 0.200) 18.114 7.691 ( -10.421 -2.690 2.836) 11.130 8.436 ( -0.172 -6.246 0.680) 6.285 8.505 ( 4.578 -0.169 0.055) 4.581 8.840 ( -2.304 13.625 -2.718) 14.083 13.843 ( -7.544 1.374 -0.688) 7.699 ======================= Grid point 419 (168/417) ======================= q-point: (-0.31 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 3.115 -1.086 5.038) 6.022 3.116 ( 13.694 -3.138 2.216) 14.223 3.921 ( 19.960 -6.550 -0.904) 21.026 4.177 ( 2.066 1.336 5.297) 5.840 4.711 ( -4.178 -3.235 -2.204) 5.726 5.941 ( -0.715 -4.324 -1.168) 4.536 7.296 ( 23.925 -2.327 -2.103) 24.130 7.463 ( -11.675 -4.261 2.574) 12.692 8.375 ( 1.317 -7.598 2.100) 7.992 8.575 ( 2.563 -0.387 3.745) 4.554 8.966 ( -2.453 22.697 -4.642) 23.296 13.684 ( -12.500 2.177 0.627) 12.704 ======================= Grid point 420 (169/417) ======================= q-point: (-0.25 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 4.686 -1.788 2.283) 5.511 3.332 ( 15.181 -5.947 3.188) 16.613 4.056 ( 3.687 -7.272 2.540) 8.540 4.354 ( 17.506 -4.887 0.100) 18.175 4.598 ( -4.639 -2.067 -0.417) 5.096 5.846 ( -2.828 -6.843 -2.811) 7.920 7.246 ( -8.555 -2.385 1.658) 9.035 7.600 ( 16.242 -8.487 -5.067) 19.013 8.375 ( 5.537 -5.944 4.359) 9.219 8.596 ( -1.834 -0.750 7.155) 7.424 9.159 ( -1.378 25.980 -6.511) 26.819 13.498 ( -12.680 3.937 2.435) 13.499 ======================= Grid point 421 (170/417) ======================= q-point: (-0.19 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 6.629 -1.443 0.061) 6.784 3.497 ( 11.345 -11.081 3.570) 16.255 4.008 ( -0.202 -8.363 3.231) 8.968 4.458 ( 1.093 -3.590 -7.984) 8.822 4.604 ( 7.885 -7.585 6.960) 12.967 5.733 ( -0.661 -5.251 -3.312) 6.243 7.157 ( -1.160 0.930 1.413) 2.051 7.647 ( 5.605 -14.271 -5.277) 16.215 8.452 ( 4.323 -1.458 5.906) 7.463 8.546 ( -3.985 -2.980 6.147) 7.909 9.337 ( -4.549 22.725 -7.418) 24.334 13.382 ( -7.488 6.501 3.874) 10.646 ======================= Grid point 422 (171/417) ======================= q-point: (-0.12 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 8.178 -0.118 -1.452) 8.306 3.489 ( 2.567 -15.854 1.989) 16.184 3.922 ( -0.385 -11.986 3.318) 12.443 4.432 ( 1.995 -0.417 -5.180) 5.567 4.600 ( -0.775 -8.269 4.790) 9.587 5.728 ( 5.182 -2.794 -1.814) 6.160 7.237 ( 6.251 4.163 1.806) 7.724 7.508 ( -1.314 -17.216 -2.939) 17.514 8.439 ( -7.547 2.497 6.637) 10.356 8.533 ( 5.239 -5.840 1.508) 7.989 9.358 ( -13.030 16.347 -6.911) 22.017 13.404 ( -0.567 8.352 3.982) 9.270 ======================= Grid point 434 (172/417) ======================= q-point: (-0.38 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -0.000 -1.013 8.460) 8.520 2.851 ( -0.000 -3.063 0.913) 3.196 3.498 ( -0.000 -4.779 -0.330) 4.790 4.172 ( -0.000 1.223 5.967) 6.091 4.782 ( 0.000 -4.005 -2.213) 4.576 5.940 ( -0.000 -3.882 -0.142) 3.884 6.777 ( -0.000 1.150 0.991) 1.518 7.748 ( -0.000 -7.647 4.365) 8.805 8.398 ( -0.000 -5.580 -0.900) 5.652 8.450 ( -0.000 1.943 1.523) 2.469 9.019 ( 0.000 20.932 -3.768) 21.268 13.920 ( 0.000 1.617 -0.379) 1.661 ======================= Grid point 435 (173/417) ======================= q-point: (-0.31 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 0.951 -2.913 6.615) 7.290 2.891 ( 8.574 -4.934 1.400) 9.991 3.554 ( 12.977 -7.474 -0.332) 14.979 4.199 ( -0.192 -0.071 6.940) 6.943 4.715 ( -1.779 -4.610 -1.964) 5.317 5.880 ( 0.013 -8.352 -1.737) 8.531 6.928 ( 15.320 -0.298 0.081) 15.324 7.598 ( -8.488 -8.018 3.340) 12.144 8.314 ( -1.245 -6.727 0.040) 6.842 8.548 ( 3.903 4.929 4.891) 7.965 9.222 ( -1.437 26.048 -4.898) 26.543 13.877 ( -7.024 2.330 0.511) 7.418 ======================= Grid point 436 (174/417) ======================= q-point: (-0.25 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 2.856 -4.573 2.923) 6.133 3.032 ( 13.566 -7.349 2.289) 15.598 3.736 ( 17.472 -11.827 0.013) 21.099 4.210 ( 1.283 -3.046 4.741) 5.779 4.636 ( -2.475 -2.373 0.337) 3.445 5.763 ( -0.322 -12.805 -3.682) 13.328 7.206 ( 18.636 -5.685 -2.722) 19.673 7.379 ( -9.755 -4.881 2.136) 11.115 8.254 ( 2.242 -6.412 2.019) 7.087 8.664 ( 0.167 5.825 8.381) 10.208 9.442 ( -2.377 29.112 -6.377) 29.896 13.751 ( -11.195 3.716 2.295) 12.016 ======================= Grid point 437 (175/417) ======================= q-point: (-0.19 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 5.925 -4.985 -0.299) 7.749 3.188 ( 13.455 -11.005 2.461) 17.555 3.835 ( 8.872 -16.360 2.651) 18.798 4.233 ( 6.986 -7.336 -2.966) 10.555 4.611 ( -1.187 1.975 5.801) 6.242 5.617 ( 1.422 -14.206 -4.727) 15.039 7.218 ( -5.113 -1.668 1.488) 5.580 7.361 ( 10.353 -11.740 -4.483) 16.283 8.291 ( 7.073 -5.340 3.449) 9.510 8.708 ( -5.525 6.027 9.771) 12.741 9.646 ( -4.896 28.645 -8.382) 30.245 13.616 ( -10.704 5.678 4.626) 12.970 ======================= Grid point 438 (176/417) ======================= q-point: (-0.12 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 9.231 -4.071 -2.495) 10.393 3.253 ( 8.008 -15.320 1.289) 17.335 3.765 ( 2.939 -18.648 4.099) 19.318 4.264 ( 7.707 -8.126 -5.530) 12.491 4.645 ( -2.085 3.499 7.554) 8.582 5.543 ( 7.378 -11.837 -3.702) 14.431 7.191 ( 1.955 -1.398 1.546) 2.857 7.330 ( 3.287 -11.821 -2.662) 12.555 8.359 ( 5.944 -7.100 1.089) 9.324 8.675 ( -9.122 7.116 9.928) 15.245 9.743 ( -11.552 24.444 -10.057) 28.846 13.554 ( -5.967 7.336 6.336) 11.382 ======================= Grid point 451 (177/417) ======================= q-point: (-0.31 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -0.000 -5.530 6.301) 8.383 2.755 ( -0.000 -7.648 0.497) 7.664 3.365 ( -0.000 -8.215 -0.010) 8.215 4.210 ( -0.000 -3.621 7.020) 7.899 4.679 ( -0.000 -4.340 -0.266) 4.348 5.764 ( 0.000 -13.637 -3.388) 14.052 6.802 ( -0.000 0.247 0.719) 0.760 7.594 ( -0.000 -9.154 2.825) 9.580 8.257 ( -0.000 -7.406 -0.676) 7.437 8.610 ( -0.000 10.409 7.624) 12.903 9.488 ( 0.000 29.318 -5.157) 29.768 13.964 ( -0.000 2.889 0.757) 2.986 ======================= Grid point 452 (178/417) ======================= q-point: (-0.25 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 0.696 -8.014 3.167) 8.645 2.752 ( 9.425 -10.526 0.873) 14.155 3.377 ( 10.729 -10.062 0.060) 14.709 4.165 ( -0.206 -8.894 4.004) 9.756 4.644 ( -0.507 -2.392 3.728) 4.458 5.593 ( 0.246 -18.253 -5.302) 19.009 6.897 ( 10.995 -3.176 -0.711) 11.467 7.469 ( -5.825 -5.869 1.828) 8.468 8.183 ( -0.117 -5.825 0.429) 5.842 8.764 ( 1.043 10.821 9.724) 14.586 9.755 ( -1.709 31.595 -5.570) 32.127 13.946 ( -6.229 3.927 1.971) 7.622 ======================= Grid point 453 (179/417) ======================= q-point: (-0.19 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 3.921 -9.086 -0.436) 9.906 2.844 ( 13.800 -13.485 1.151) 19.329 3.478 ( 13.164 -14.121 0.747) 19.320 4.075 ( 1.844 -11.772 -0.606) 11.931 4.650 ( 0.956 -0.859 8.436) 8.533 5.397 ( 1.549 -19.856 -6.764) 21.034 7.031 ( 11.265 -10.021 -2.943) 15.362 7.330 ( -6.298 -0.894 1.354) 6.504 8.169 ( 3.376 -3.249 2.217) 5.183 8.887 ( -2.592 9.417 10.141) 14.079 9.996 ( -4.473 31.714 -7.003) 32.784 13.862 ( -9.607 5.368 4.366) 11.839 ======================= Grid point 454 (180/417) ======================= q-point: (-0.12 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 8.450 -8.494 -2.882) 12.324 2.927 ( 12.335 -16.849 0.203) 20.882 3.500 ( 7.184 -18.486 2.848) 20.037 4.027 ( 7.093 -11.100 -3.653) 13.670 4.719 ( 2.434 1.555 11.042) 11.413 5.241 ( 6.269 -18.802 -7.361) 21.143 7.043 ( 5.795 -13.883 -2.374) 15.230 7.273 ( -1.793 2.530 1.150) 3.307 8.221 ( 4.394 -3.444 1.690) 5.833 8.927 ( -6.799 8.796 9.702) 14.755 10.150 ( -9.743 28.830 -9.776) 31.964 13.778 ( -9.063 6.679 7.262) 13.397 ======================= Grid point 468 (181/417) ======================= q-point: (-0.25 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -0.000 -11.454 2.143) 11.653 2.541 ( -0.000 -14.673 -0.258) 14.675 3.197 ( -0.000 -8.594 0.242) 8.598 4.060 ( -0.000 -14.447 1.342) 14.509 4.628 ( -0.000 -6.012 7.663) 9.740 5.380 ( 0.000 -19.733 -6.866) 20.893 6.774 ( -0.000 -3.601 -0.338) 3.616 7.473 ( -0.000 -3.798 1.072) 3.946 8.139 ( -0.000 -3.694 0.289) 3.705 8.904 ( -0.000 11.845 10.521) 15.843 10.072 ( 0.000 33.355 -4.550) 33.664 14.046 ( -0.000 4.464 2.253) 5.000 ======================= Grid point 469 (182/417) ======================= q-point: (-0.19 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 1.530 -13.481 -0.715) 13.586 2.477 ( 10.675 -18.003 -0.157) 20.931 3.183 ( 7.496 -9.451 0.320) 12.067 3.907 ( 0.976 -17.392 -1.283) 17.467 4.575 ( 3.112 -15.667 9.618) 18.645 5.187 ( -0.364 -13.501 -6.870) 15.153 6.783 ( 6.387 -7.543 -1.500) 9.997 7.421 ( -3.949 0.442 0.774) 4.048 8.124 ( 0.766 -0.489 1.262) 1.555 9.042 ( -0.703 9.604 9.890) 13.804 10.362 ( -3.092 33.530 -4.458) 33.967 14.056 ( -5.223 5.290 3.833) 8.364 ======================= Grid point 470 (183/417) ======================= q-point: (-0.12 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 6.451 -13.365 -3.132) 15.167 2.511 ( 14.620 -20.656 -0.655) 25.315 3.221 ( 7.855 -12.478 1.355) 14.806 3.776 ( 5.313 -17.096 -2.884) 18.133 4.528 ( 11.953 -23.562 8.589) 27.781 5.062 ( -2.092 -4.174 -4.844) 6.728 6.797 ( 6.577 -11.400 -2.086) 13.325 7.371 ( -4.614 4.333 0.994) 6.407 8.160 ( 1.966 0.754 1.613) 2.652 9.123 ( -3.112 7.477 8.325) 11.614 10.570 ( -8.273 31.234 -6.416) 32.942 14.014 ( -7.990 6.198 6.713) 12.137 ======================= Grid point 485 (184/417) ======================= q-point: (-0.19 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -0.000 -17.047 -1.764) 17.138 2.179 ( -0.000 -21.713 -0.860) 21.730 3.043 ( -0.000 -7.306 0.061) 7.306 3.697 ( -0.000 -21.830 -2.959) 22.029 4.322 ( -0.000 -32.573 6.844) 33.284 5.106 ( 0.000 -2.277 -2.957) 3.732 6.656 ( -0.000 -7.597 -1.121) 7.679 7.476 ( 0.000 3.796 0.422) 3.819 8.133 ( -0.000 2.403 1.071) 2.631 9.162 ( -0.000 6.868 9.156) 11.445 10.710 ( 0.000 33.889 -2.545) 33.984 14.164 ( -0.000 5.266 4.077) 6.660 ======================= Grid point 486 (185/417) ======================= q-point: (-0.12 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 3.510 -18.134 -3.571) 18.813 2.057 ( 11.506 -24.024 -1.032) 26.657 3.017 ( 4.664 -7.786 0.233) 9.078 3.483 ( 4.073 -24.935 -4.041) 25.586 4.059 ( 8.142 -36.267 4.873) 37.488 5.090 ( -1.523 1.906 -0.371) 2.468 6.605 ( 3.525 -9.034 -1.352) 9.792 7.502 ( -3.460 7.324 0.548) 8.119 8.172 ( 0.233 4.023 1.285) 4.230 9.234 ( -0.678 3.549 7.451) 8.281 10.984 ( -5.407 32.051 -2.702) 32.616 14.196 ( -4.028 5.453 5.767) 8.900 ======================= Grid point 502 (186/417) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -0.000 -21.342 -4.221) 21.755 1.698 ( -0.000 -26.407 -1.075) 26.428 2.912 ( -0.000 -5.938 -0.405) 5.951 3.125 ( -0.000 -36.283 -5.469) 36.692 3.654 ( -0.000 -33.620 4.626) 33.937 5.126 ( -0.000 2.467 0.675) 2.557 6.490 ( -0.000 -7.936 -0.973) 7.996 7.624 ( 0.000 10.789 0.553) 10.803 8.226 ( 0.000 5.732 1.042) 5.826 9.273 ( -0.000 -1.116 6.727) 6.819 11.338 ( 0.000 30.836 -0.755) 30.845 14.296 ( -0.000 4.619 5.681) 7.322 ======================= Grid point 555 (187/417) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( -0.000 -0.000 22.314) 22.314 0.465 ( -0.000 -0.000 22.314) 22.314 0.901 ( -0.000 -0.000 43.745) 43.745 2.690 ( 0.000 0.000 -2.683) 2.683 2.690 ( 0.000 0.000 -2.683) 2.683 6.098 ( 0.000 0.000 -9.572) 9.572 6.259 ( -0.000 -0.000 1.453) 1.453 6.259 ( -0.000 -0.000 1.453) 1.453 8.460 ( 0.000 0.000 -1.098) 1.098 8.460 ( 0.000 0.000 -1.098) 1.098 12.425 ( -0.000 -0.000 2.874) 2.874 13.051 ( 0.000 0.000 -1.341) 1.341 ======================= Grid point 556 (188/417) ======================= q-point: ( 0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 18.862 10.890 15.001) 26.446 0.910 ( 15.184 8.767 22.789) 28.754 1.400 ( 34.246 19.772 23.390) 45.943 2.688 ( 1.309 0.756 -3.595) 3.900 2.818 ( 10.826 6.250 -2.694) 12.788 5.286 ( -11.622 -6.710 3.704) 13.921 6.290 ( 2.244 1.295 1.589) 3.039 7.966 ( 32.502 18.765 -30.661) 48.462 8.410 ( 11.413 6.589 -14.272) 19.426 8.427 ( -2.689 -1.552 -1.104) 3.295 12.332 ( -9.875 -5.702 5.296) 12.573 13.579 ( 27.369 15.801 -33.678) 46.184 ======================= Grid point 557 (189/417) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 12.646 7.301 20.147) 24.883 1.316 ( 22.346 12.902 10.002) 27.674 2.339 ( 40.129 23.169 10.577) 47.529 2.724 ( 3.002 1.733 -4.355) 5.566 3.148 ( 19.154 11.059 -2.585) 22.268 5.138 ( -4.102 -2.368 -3.046) 5.631 6.370 ( 4.389 2.534 1.475) 5.278 7.870 ( -13.026 -7.521 -1.916) 15.163 8.340 ( -4.452 -2.570 -0.990) 5.235 8.882 ( 20.125 11.619 -20.657) 31.092 12.049 ( -16.711 -9.648 9.627) 21.565 13.831 ( 6.833 3.945 -30.652) 31.651 ======================= Grid point 558 (190/417) ======================= q-point: ( 0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 14.271 8.239 12.447) 20.652 1.851 ( 22.100 12.759 7.679) 26.649 2.792 ( 4.317 2.492 -5.020) 7.075 3.167 ( 28.816 16.637 7.032) 34.009 3.681 ( 29.346 16.943 -3.794) 34.098 5.043 ( -3.313 -1.913 -4.166) 5.656 6.493 ( 5.907 3.410 1.073) 6.904 7.590 ( -10.212 -5.896 -1.865) 11.939 8.234 ( -4.222 -2.438 -0.705) 4.926 9.102 ( 4.674 2.699 -12.772) 13.866 11.665 ( -20.794 -12.005 14.221) 27.906 13.774 ( -1.927 -1.113 -25.248) 25.346 ======================= Grid point 559 (191/417) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 15.078 8.705 5.811) 18.355 2.345 ( 19.081 11.016 6.672) 23.020 2.884 ( 5.516 3.185 -5.692) 8.543 3.708 ( 18.975 10.955 5.294) 22.541 4.337 ( 25.938 14.975 -9.788) 31.509 4.989 ( 1.083 0.625 1.232) 1.755 6.629 ( 5.618 3.244 0.420) 6.501 7.423 ( -3.609 -2.084 -2.095) 4.665 8.164 ( -1.436 -0.829 -0.220) 1.673 9.028 ( -6.975 -4.027 -11.064) 13.685 11.197 ( -25.500 -14.723 15.052) 33.069 13.638 ( -2.446 -1.412 -18.671) 18.884 ======================= Grid point 560 (192/417) ======================= q-point: ( 0.44 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 14.371 8.297 0.441) 16.600 2.726 ( 11.916 6.880 5.424) 14.790 3.015 ( 8.353 4.823 -5.371) 11.040 4.095 ( 14.029 8.100 4.636) 16.850 4.577 ( 1.275 0.736 -15.216) 15.287 5.237 ( 16.931 9.775 6.563) 20.623 6.733 ( 3.400 1.963 -0.319) 3.939 7.426 ( 4.493 2.594 -2.084) 5.591 8.179 ( 2.725 1.573 0.364) 3.167 8.762 ( -12.247 -7.071 -9.577) 17.079 10.603 ( -30.748 -17.753 10.298) 36.968 13.569 ( 0.779 0.450 -10.101) 10.141 ======================= Grid point 561 (193/417) ======================= q-point: ( 0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 11.807 6.817 -4.379) 14.319 2.909 ( 4.473 2.582 1.023) 5.265 3.222 ( 9.725 5.615 -1.430) 11.320 4.360 ( 7.106 4.102 2.022) 8.450 4.503 ( -1.075 -0.621 -8.503) 8.593 5.602 ( 12.746 7.359 3.117) 15.045 6.782 ( 1.299 0.750 -0.843) 1.720 7.595 ( 10.344 5.972 -2.648) 12.234 8.274 ( 4.934 2.849 0.786) 5.751 8.474 ( -9.570 -5.525 -5.562) 12.371 9.905 ( -32.445 -18.732 4.337) 37.714 13.594 ( 2.875 1.660 -3.041) 4.502 ======================= Grid point 562 (194/417) ======================= q-point: ( 0.56 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( 6.685 3.859 -8.936) 11.808 2.974 ( 1.673 0.966 -1.206) 2.277 3.398 ( 5.623 3.247 0.626) 6.523 4.368 ( -0.989 -0.571 -5.401) 5.520 4.576 ( 4.091 2.362 2.888) 5.537 5.827 ( 6.600 3.811 1.588) 7.785 6.797 ( 0.529 0.305 -1.002) 1.173 7.814 ( 8.579 4.953 -3.964) 10.670 8.365 ( 2.365 1.366 -0.607) 2.798 8.378 ( 3.457 1.996 0.915) 4.096 9.213 ( -28.627 -16.528 0.819) 33.066 13.658 ( 2.775 1.602 1.106) 3.390 ======================= Grid point 563 (195/417) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( -0.508 -0.294 -11.879) 11.893 2.982 ( -0.515 -0.297 -2.067) 2.151 3.473 ( 0.672 0.388 1.487) 1.677 4.377 ( 3.385 1.954 -3.410) 5.187 4.626 ( -0.799 -0.461 3.746) 3.858 5.913 ( 0.475 0.274 1.768) 1.852 6.805 ( 0.485 0.280 -0.835) 1.005 7.945 ( 4.362 2.518 -1.411) 5.230 8.418 ( -0.422 -0.244 0.777) 0.917 8.516 ( 0.857 0.495 -2.783) 2.954 8.722 ( -4.805 -2.774 1.040) 5.645 13.719 ( 1.914 1.105 3.524) 4.159 ======================= Grid point 564 (196/417) ======================= q-point: (-0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( -6.803 -3.928 -11.701) 14.093 2.933 ( -3.267 -1.886 -2.513) 4.533 3.442 ( -3.791 -2.189 2.041) 4.830 4.468 ( 3.228 1.864 -5.860) 6.945 4.583 ( -2.226 -1.285 6.515) 7.004 5.853 ( -6.750 -3.897 3.013) 8.356 6.813 ( 0.334 0.193 -0.398) 0.554 7.907 ( -9.517 -5.495 -1.012) 11.036 8.365 ( -4.241 -2.449 0.394) 4.913 8.433 ( 5.754 3.322 2.445) 7.080 9.040 ( 21.100 12.182 -5.650) 25.011 13.776 ( 2.075 1.198 5.468) 5.969 ======================= Grid point 565 (197/417) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( -11.111 -6.415 -9.275) 15.832 2.806 ( -7.551 -4.360 -2.679) 9.122 3.327 ( -6.637 -3.832 2.381) 8.025 4.343 ( -10.248 -5.917 -0.472) 11.843 4.687 ( 7.029 4.058 -0.724) 8.149 5.619 ( -15.312 -8.840 4.708) 18.297 6.810 ( -0.857 -0.495 0.230) 1.016 7.650 ( -10.433 -6.023 -0.502) 12.057 8.249 ( -5.424 -3.131 -0.194) 6.266 8.708 ( 14.586 8.421 3.000) 17.107 9.537 ( 24.898 14.375 -9.125) 30.164 13.862 ( 3.974 2.294 6.924) 8.306 ======================= Grid point 566 (198/417) ======================= q-point: (-0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( -14.322 -8.269 -5.767) 17.515 2.561 ( -13.680 -7.898 -2.189) 15.948 3.178 ( -6.955 -4.015 2.152) 8.314 4.055 ( -15.193 -8.772 1.242) 17.587 4.797 ( 0.678 0.391 -8.057) 8.095 5.214 ( -19.765 -11.412 9.009) 24.537 6.762 ( -3.778 -2.181 0.810) 4.437 7.482 ( -3.952 -2.282 0.205) 4.568 8.150 ( -2.551 -1.473 -0.782) 3.048 9.028 ( 12.315 7.110 -0.663) 14.235 10.099 ( 27.435 15.840 -7.741) 32.611 14.003 ( 6.325 3.652 6.467) 9.755 ======================= Grid point 567 (199/417) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -16.918 -9.768 -1.492) 19.592 2.179 ( -19.389 -11.194 -0.912) 22.407 3.036 ( -6.097 -3.520 1.361) 7.171 3.668 ( -20.009 -11.552 2.743) 23.267 4.386 ( -30.384 -17.542 -5.653) 35.537 5.072 ( 1.480 0.854 3.586) 3.972 6.645 ( -6.639 -3.833 1.023) 7.734 7.478 ( 3.386 1.955 0.147) 3.913 8.143 ( 2.166 1.250 -1.051) 2.712 9.231 ( 6.195 3.577 -4.354) 8.375 10.714 ( 28.437 16.418 -3.400) 33.012 14.172 ( 6.768 3.907 2.562) 8.224 ======================= Grid point 572 (200/417) ======================= q-point: ( 0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -0.000 19.293 14.993) 24.434 0.990 ( -0.000 18.228 23.068) 29.401 1.502 ( -0.000 36.728 25.363) 44.635 2.709 ( 0.000 3.066 -2.989) 4.282 2.772 ( 0.000 10.585 -4.086) 11.346 5.292 ( -0.000 -15.303 2.793) 15.556 6.295 ( -0.000 2.667 1.728) 3.178 7.819 ( 0.000 43.658 -30.395) 53.197 8.416 ( 0.000 -3.492 -1.401) 3.763 8.417 ( 0.000 9.736 -10.731) 14.490 12.340 ( -0.000 -12.496 5.444) 13.630 13.488 ( 0.000 30.890 -28.460) 42.002 ======================= Grid point 573 (201/417) ======================= q-point: ( 0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 14.306 20.334 11.264) 27.295 1.278 ( 6.327 11.325 23.239) 26.614 2.159 ( 20.852 40.605 13.694) 47.656 2.723 ( -0.210 5.002 -3.937) 6.370 2.992 ( 11.772 13.730 -3.704) 18.461 5.157 ( -2.992 -5.312 -2.490) 6.585 6.353 ( 2.240 4.189 1.793) 5.077 7.917 ( -3.959 -10.268 -3.645) 11.593 8.349 ( -1.755 -4.373 -1.820) 5.052 8.683 ( 12.975 25.404 -22.846) 36.546 12.146 ( -7.338 -17.817 8.357) 21.003 13.707 ( 5.395 15.536 -30.074) 34.277 ======================= Grid point 574 (202/417) ======================= q-point: ( 0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 8.846 9.876 17.031) 21.584 1.718 ( 17.193 20.578 8.479) 28.123 2.772 ( 1.790 6.707 -4.955) 8.528 2.960 ( 23.639 30.299 8.902) 39.447 3.407 ( 21.392 18.039 -4.500) 28.342 5.061 ( -2.773 -2.247 -4.452) 5.706 6.463 ( 3.963 6.088 1.729) 7.467 7.669 ( -8.964 -10.702 -1.634) 14.056 8.261 ( -2.677 -4.223 -1.335) 5.175 8.984 ( 8.519 8.609 -15.186) 19.425 11.827 ( -11.899 -20.530 12.588) 26.861 13.737 ( -1.837 5.588 -26.670) 27.311 ======================= Grid point 575 (203/417) ======================= q-point: ( 0.38 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 11.280 9.177 9.601) 17.425 2.227 ( 16.092 19.537 7.105) 26.289 2.860 ( 2.308 8.408 -5.672) 10.401 3.550 ( 17.049 16.793 6.432) 24.780 4.022 ( 26.988 20.419 -7.715) 34.711 4.999 ( -1.191 0.633 -1.630) 2.115 6.609 ( 4.150 8.022 1.446) 9.147 7.448 ( -5.455 -6.887 -1.946) 8.999 8.183 ( -1.908 -1.930 -0.991) 2.889 9.024 ( -1.479 -2.748 -11.909) 12.311 11.427 ( -16.635 -22.194 14.861) 31.466 13.626 ( -4.387 1.773 -21.249) 21.770 ======================= Grid point 576 (204/417) ======================= q-point: ( 0.44 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 12.612 7.615 3.149) 15.065 2.664 ( 11.399 15.778 6.083) 20.393 2.984 ( 3.545 11.882 -5.987) 13.769 3.964 ( 14.000 11.096 5.557) 18.709 4.460 ( 10.045 5.970 -15.497) 19.409 5.120 ( 10.661 10.146 6.347) 16.027 6.752 ( 1.777 9.309 0.849) 9.515 7.357 ( 1.648 -3.272 -1.935) 4.143 8.170 ( 1.066 1.733 -0.448) 2.083 8.834 ( -8.827 -7.922 -10.662) 15.949 10.910 ( -23.820 -23.143 11.613) 35.183 13.528 ( -0.852 0.383 -12.980) 13.014 ======================= Grid point 577 (205/417) ======================= q-point: ( 0.50 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 12.179 4.847 -2.411) 13.327 2.923 ( 3.216 10.277 1.353) 10.853 3.196 ( 5.894 16.303 -2.112) 17.464 4.276 ( 9.946 6.814 4.575) 12.895 4.477 ( -0.480 -0.598 -12.437) 12.461 5.479 ( 13.244 10.433 4.780) 17.524 6.848 ( -1.852 10.291 0.150) 10.458 7.426 ( 9.504 -1.357 -2.010) 9.808 8.250 ( 3.884 5.329 0.242) 6.599 8.555 ( -9.797 -7.575 -7.769) 14.620 10.258 ( -29.724 -22.007 5.461) 37.385 13.522 ( 3.674 -0.933 -4.903) 6.197 ======================= Grid point 578 (206/417) ======================= q-point: ( 0.56 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 9.408 0.786 -7.076) 11.798 3.036 ( -0.665 10.217 -2.318) 10.497 3.426 ( 2.496 14.858 0.767) 15.086 4.365 ( -1.332 -0.088 -7.069) 7.194 4.523 ( 5.987 2.910 3.088) 7.339 5.752 ( 8.219 5.780 2.492) 10.353 6.899 ( -4.686 11.822 -0.257) 12.719 7.600 ( 13.180 -3.380 -2.704) 13.873 8.360 ( -3.336 -3.178 -3.025) 5.511 8.385 ( 3.820 7.599 0.580) 8.525 9.554 ( -30.256 -18.088 0.929) 35.263 13.581 ( 5.654 -2.464 0.180) 6.170 ======================= Grid point 579 (207/417) ======================= q-point: ( 0.62 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 4.556 -3.475 -10.003) 11.528 3.088 ( -3.883 10.245 -4.293) 11.767 3.562 ( -2.609 12.285 1.864) 12.697 4.341 ( 1.117 1.408 -5.351) 5.645 4.622 ( 2.164 -0.211 4.353) 4.866 5.894 ( 3.442 1.786 1.757) 4.257 6.924 ( -6.447 13.001 -0.345) 14.516 7.747 ( 11.466 -7.948 -2.118) 14.111 8.369 ( 4.549 0.154 0.074) 4.552 8.533 ( 4.449 10.582 -0.554) 11.493 8.934 ( -24.500 -11.511 -0.490) 27.074 13.653 ( 5.553 -3.626 2.814) 7.205 ======================= Grid point 580 (208/417) ======================= q-point: (-0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( -0.830 -6.498 -10.835) 12.661 3.070 ( -7.460 8.775 -4.560) 12.387 3.590 ( -7.777 9.901 2.272) 12.794 4.395 ( 4.472 2.265 -5.670) 7.568 4.623 ( -1.751 -2.736 5.508) 6.395 5.911 ( -2.419 -2.004 2.463) 3.992 6.933 ( -7.151 12.451 -0.148) 14.359 7.806 ( 6.471 -13.416 -0.898) 14.922 8.423 ( 0.490 0.239 1.614) 1.704 8.526 ( -13.194 2.619 -0.848) 13.478 8.818 ( 15.495 9.545 -3.209) 18.480 13.718 ( 5.255 -3.781 4.391) 7.823 ======================= Grid point 581 (209/417) ======================= q-point: (-0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( -5.804 -7.901 -9.417) 13.594 2.976 ( -10.883 6.382 -3.799) 13.176 3.511 ( -11.997 7.239 2.341) 14.206 4.407 ( -3.387 -3.925 -4.493) 6.861 4.622 ( 3.596 1.311 3.036) 4.885 5.778 ( -10.179 -6.031 3.991) 12.487 6.923 ( -7.186 10.084 0.372) 12.388 7.673 ( -3.477 -14.134 -0.941) 14.586 8.326 ( -6.764 -1.850 -0.846) 7.063 8.606 ( 8.472 9.712 2.930) 13.217 9.231 ( 22.447 11.285 -6.814) 26.032 13.797 ( 6.158 -2.636 5.358) 8.577 ======================= Grid point 582 (210/417) ======================= q-point: (-0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( -10.150 -8.023 -6.199) 14.346 2.791 ( -15.717 3.263 -2.783) 16.292 3.356 ( -13.347 4.481 2.029) 14.225 4.205 ( -11.364 -7.634 -0.167) 13.691 4.736 ( 5.266 2.626 -4.516) 7.418 5.469 ( -18.798 -10.063 6.341) 22.245 6.879 ( -7.997 5.977 1.021) 10.036 7.492 ( -2.983 -8.632 -0.319) 9.139 8.199 ( -5.279 -1.346 -1.122) 5.562 8.887 ( 12.090 7.909 -0.938) 14.477 9.746 ( 27.277 12.222 -5.656) 30.421 13.917 ( 7.938 -0.859 4.803) 9.317 ======================= Grid point 583 (211/417) ======================= q-point: (-0.12 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -14.125 -7.353 -1.865) 16.033 2.482 ( -21.862 0.027 -1.175) 21.893 3.180 ( -11.620 2.137 1.056) 11.862 3.891 ( -16.605 -8.513 1.750) 18.742 4.673 ( -16.775 -5.449 -9.874) 20.213 5.109 ( -8.611 -5.929 8.437) 13.435 6.769 ( -9.537 1.219 1.384) 9.714 7.426 ( 2.227 -3.107 -0.115) 3.824 8.137 ( -0.930 0.859 -1.342) 1.844 9.121 ( 9.207 4.198 -5.312) 11.428 10.346 ( 30.246 12.601 -1.422) 32.796 14.069 ( 8.702 0.072 1.335) 8.804 ======================= Grid point 589 (212/417) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -0.000 23.023 9.741) 24.998 1.426 ( -0.000 11.780 23.250) 26.064 2.479 ( -0.000 46.921 11.805) 48.383 2.767 ( 0.000 5.055 -3.432) 6.110 3.030 ( 0.000 18.428 -5.082) 19.116 5.119 ( 0.000 -4.482 -3.527) 5.704 6.387 ( -0.000 5.603 1.786) 5.880 7.832 ( -0.000 -11.480 -2.180) 11.686 8.313 ( 0.000 -5.733 -1.452) 5.914 8.755 ( 0.000 22.992 -20.486) 30.795 12.026 ( -0.000 -23.936 8.947) 25.554 13.736 ( 0.000 15.961 -27.716) 31.983 ======================= Grid point 590 (213/417) ======================= q-point: ( 0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 3.350 10.509 18.925) 21.905 1.699 ( 12.576 22.425 7.975) 26.919 2.813 ( 0.623 7.553 -4.355) 8.741 3.051 ( 9.843 38.807 9.619) 41.175 3.301 ( 11.255 22.177 -6.548) 25.717 5.062 ( -1.369 -1.679 -4.337) 4.848 6.479 ( 2.747 7.350 1.890) 8.071 7.669 ( -4.722 -11.911 -1.175) 12.867 8.237 ( -1.199 -5.501 -1.579) 5.847 8.916 ( 4.582 10.672 -15.481) 19.353 11.766 ( -4.522 -27.343 11.431) 29.979 13.764 ( -2.201 9.784 -25.054) 26.986 ======================= Grid point 591 (214/417) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 6.085 9.255 12.447) 16.662 2.188 ( 15.729 21.132 7.024) 27.263 2.907 ( 1.941 10.667 -5.364) 12.096 3.523 ( 10.300 19.923 6.255) 23.284 3.820 ( 19.748 27.866 -7.445) 34.956 5.026 ( -1.053 2.225 -2.206) 3.305 6.636 ( 4.594 10.146 2.281) 11.369 7.464 ( -6.054 -8.615 -1.589) 10.649 8.170 ( -0.441 -3.809 -1.702) 4.195 8.966 ( 0.721 -1.230 -12.237) 12.319 11.428 ( -7.943 -28.982 13.827) 33.079 13.682 ( -6.286 5.084 -21.240) 22.727 ======================= Grid point 592 (215/417) ======================= q-point: ( 0.44 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 8.397 7.420 6.053) 12.736 2.652 ( 12.938 17.743 6.079) 22.785 3.055 ( 2.863 15.942 -5.742) 17.185 3.889 ( 11.426 13.528 5.330) 18.492 4.292 ( 13.029 12.785 -12.950) 22.381 5.110 ( 5.023 10.833 4.074) 12.617 6.832 ( 3.444 13.215 2.480) 13.880 7.313 ( -2.421 -5.231 -1.595) 5.981 8.151 ( 1.801 -0.397 -1.836) 2.602 8.838 ( -5.293 -7.755 -11.036) 14.490 11.012 ( -13.455 -29.221 12.743) 34.602 13.544 ( -5.672 1.938 -15.196) 16.335 ======================= Grid point 593 (216/417) ======================= q-point: ( 0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 9.411 4.815 0.342) 10.577 2.974 ( 5.779 12.797 1.934) 14.174 3.293 ( 4.772 21.618 -2.373) 22.266 4.201 ( 9.951 8.993 4.624) 14.187 4.423 ( 2.228 1.962 -12.789) 13.129 5.406 ( 10.679 13.335 5.489) 17.944 7.003 ( -0.305 14.306 1.817) 14.424 7.284 ( 3.672 -1.923 -0.935) 4.249 8.220 ( 5.118 3.792 -1.648) 6.580 8.600 ( -8.193 -8.533 -9.041) 14.888 10.478 ( -21.024 -26.919 7.654) 35.003 13.454 ( -0.487 -1.316 -7.786) 7.911 ======================= Grid point 594 (217/417) ======================= q-point: ( 0.56 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 8.423 1.710 -4.556) 9.728 3.147 ( 0.821 13.009 -2.099) 13.203 3.571 ( 2.591 20.684 1.303) 20.886 4.355 ( 0.420 1.301 -8.338) 8.449 4.470 ( 5.320 4.880 3.131) 7.869 5.689 ( 7.989 7.738 3.661) 11.709 7.122 ( -2.508 14.653 1.183) 14.913 7.372 ( 7.342 -0.580 -0.750) 7.403 8.364 ( 3.008 1.911 -4.698) 5.896 8.387 ( -2.141 -0.834 -1.722) 2.871 9.851 ( -25.947 -21.521 2.192) 33.781 13.447 ( 4.661 -4.606 -1.942) 6.834 ======================= Grid point 595 (218/417) ======================= q-point: ( 0.62 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 5.294 -1.367 -8.023) 9.709 3.252 ( -2.758 13.718 -4.270) 14.630 3.772 ( -2.133 17.864 3.209) 18.275 4.331 ( -0.422 2.049 -7.559) 7.843 4.596 ( 2.851 1.937 4.644) 5.784 5.853 ( 4.542 2.573 2.490) 5.784 7.215 ( -5.821 17.652 1.181) 18.625 7.480 ( 8.182 -4.897 -0.996) 9.588 8.301 ( 2.301 -1.332 -1.544) 3.075 8.536 ( 5.153 6.738 -0.616) 8.505 9.240 ( -24.968 -13.254 -1.269) 28.296 13.494 ( 7.249 -6.907 1.328) 10.101 ======================= Grid point 596 (219/417) ======================= q-point: (-0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 0.955 -3.729 -9.242) 10.012 3.286 ( -6.902 13.020 -5.264) 15.648 3.870 ( -7.235 15.889 3.886) 17.886 4.342 ( 1.650 2.478 -6.308) 6.975 4.632 ( -0.503 -1.364 4.424) 4.657 5.914 ( 0.940 -1.329 2.410) 2.908 7.262 ( -10.800 19.263 1.078) 22.110 7.538 ( 8.112 -11.226 -0.317) 13.854 8.390 ( 5.529 1.884 1.841) 6.124 8.674 ( 4.942 0.502 -0.595) 5.003 8.799 ( -14.643 2.030 -4.618) 15.488 13.559 ( 8.013 -7.626 2.892) 11.434 ======================= Grid point 597 (220/417) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -3.358 -4.818 -8.088) 9.996 3.235 ( -10.937 11.002 -4.904) 16.270 3.856 ( -13.446 14.168 3.299) 19.809 4.368 ( 1.492 -1.132 -6.061) 6.344 4.610 ( -0.446 -1.374 3.902) 4.160 5.866 ( -4.715 -4.575 3.236) 7.323 7.236 ( -12.940 16.184 1.557) 20.780 7.513 ( 3.700 -14.450 -0.513) 14.925 8.426 ( -5.531 0.532 -0.805) 5.615 8.617 ( 0.837 5.036 2.700) 5.775 8.966 ( 16.849 8.217 -6.309) 19.779 13.639 ( 8.659 -6.695 3.413) 11.465 ======================= Grid point 598 (221/417) ======================= q-point: (-0.19 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( -7.263 -4.509 -5.164) 9.987 3.097 ( -14.783 8.025 -3.795) 17.243 3.715 ( -18.244 10.459 2.164) 21.140 4.280 ( -5.837 -6.030 -2.019) 8.632 4.658 ( 4.677 1.773 -1.672) 5.274 5.674 ( -12.913 -7.416 4.606) 15.587 7.153 ( -13.337 10.664 2.306) 17.231 7.409 ( 0.564 -11.442 -0.710) 11.478 8.299 ( -7.722 0.631 -2.313) 8.085 8.777 ( 8.573 5.913 -0.896) 10.452 9.392 ( 24.802 9.233 -2.963) 26.631 13.749 ( 9.865 -4.833 2.513) 11.270 ======================= Grid point 599 (222/417) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -11.059 -3.118 -1.255) 11.559 2.860 ( -19.683 4.785 -1.995) 20.354 3.479 ( -18.513 5.324 0.588) 19.272 4.066 ( -11.873 -5.959 1.012) 13.323 4.736 ( 1.787 2.099 -8.291) 8.737 5.325 ( -19.632 -8.937 7.362) 22.792 7.003 ( -13.825 4.205 2.480) 14.661 7.341 ( 2.238 -5.864 -0.688) 6.314 8.191 ( -4.899 1.656 -2.120) 5.589 8.972 ( 10.134 2.949 -6.188) 12.234 9.948 ( 29.378 9.861 2.149) 31.063 13.888 ( 10.604 -3.526 -0.721) 11.198 ======================= Grid point 606 (223/417) ======================= q-point: ( 0.31 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -0.000 9.548 16.937) 19.442 1.830 ( -0.000 22.438 6.901) 23.475 2.857 ( 0.000 6.657 -3.956) 7.744 3.346 ( -0.000 23.942 5.564) 24.580 3.465 ( 0.000 39.157 -5.515) 39.543 5.053 ( 0.000 0.829 -3.770) 3.860 6.531 ( 0.000 7.646 1.422) 7.777 7.596 ( -0.000 -10.178 -0.849) 10.213 8.189 ( -0.000 -5.496 -1.106) 5.606 8.913 ( 0.000 5.299 -14.119) 15.081 11.550 ( -0.000 -31.430 11.892) 33.604 13.804 ( 0.000 9.164 -22.335) 24.142 ======================= Grid point 607 (224/417) ======================= q-point: ( 0.38 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 2.252 8.025 12.436) 14.971 2.169 ( 11.534 20.281 6.089) 24.113 2.943 ( 3.210 9.062 -4.532) 10.628 3.593 ( 4.850 17.925 0.972) 18.595 3.892 ( 6.550 33.778 -4.360) 34.682 5.069 ( -0.297 6.034 -1.452) 6.213 6.654 ( 4.787 8.861 1.532) 10.187 7.470 ( -4.136 -7.175 -1.269) 8.378 8.132 ( -0.543 -3.763 -1.087) 3.954 8.895 ( 0.757 -2.655 -12.151) 12.461 11.250 ( -2.619 -33.448 13.079) 36.010 13.772 ( -4.853 6.469 -19.176) 20.812 ======================= Grid point 608 (225/417) ======================= q-point: ( 0.44 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 4.476 6.223 7.228) 10.536 2.600 ( 14.450 15.985 5.362) 22.205 3.121 ( 6.022 14.930 -4.917) 16.833 3.862 ( 8.321 12.905 1.543) 15.432 4.243 ( 6.058 18.208 -8.527) 20.999 5.182 ( 2.372 14.179 2.671) 14.622 6.875 ( 7.879 12.016 2.337) 14.558 7.326 ( -4.982 -4.176 -1.502) 6.672 8.104 ( 1.077 -1.211 -1.663) 2.323 8.791 ( -2.387 -7.732 -10.873) 13.553 10.898 ( -5.426 -34.019 12.903) 36.786 13.646 ( -8.404 3.667 -15.136) 17.697 ======================= Grid point 609 (226/417) ======================= q-point: ( 0.50 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 6.220 4.175 2.388) 7.863 2.963 ( 10.658 11.485 2.637) 15.889 3.402 ( 7.136 21.113 -2.755) 22.456 4.124 ( 10.062 7.300 0.608) 12.446 4.395 ( 1.546 7.864 -7.760) 11.156 5.425 ( 5.909 16.047 4.270) 17.625 7.110 ( 1.928 9.556 0.727) 9.776 7.263 ( 1.932 4.039 1.503) 4.722 8.146 ( 4.789 1.624 -2.823) 5.791 8.606 ( -5.641 -8.042 -9.288) 13.519 10.481 ( -10.283 -32.305 9.857) 35.306 13.485 ( -7.258 0.455 -9.949) 12.323 ======================= Grid point 610 (227/417) ======================= q-point: ( 0.56 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 6.597 2.077 -1.789) 7.143 3.215 ( 5.854 11.843 -0.892) 13.241 3.713 ( 5.113 19.835 1.287) 20.523 4.306 ( 5.132 2.975 -8.122) 10.058 4.475 ( 2.527 7.649 2.478) 8.428 5.669 ( 5.450 9.723 3.625) 11.721 7.140 ( 1.995 -0.753 -1.394) 2.547 7.453 ( 1.163 17.557 4.738) 18.222 8.274 ( 7.654 2.854 -4.631) 9.390 8.416 ( -5.078 -4.011 -5.468) 8.472 9.989 ( -16.131 -26.967 4.961) 31.813 13.364 ( -1.986 -3.466 -4.689) 6.160 ======================= Grid point 611 (228/417) ======================= q-point: ( 0.62 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 5.138 0.169 -4.992) 7.166 3.394 ( 1.319 13.834 -3.352) 14.295 3.948 ( 1.986 13.661 4.723) 14.590 4.335 ( 0.082 3.547 -8.824) 9.510 4.621 ( 2.109 8.357 3.894) 9.458 5.814 ( 3.625 2.365 3.011) 5.272 7.191 ( 6.525 -3.229 -0.950) 7.342 7.627 ( -4.678 20.405 4.381) 21.388 8.260 ( -0.959 -2.767 -3.977) 4.939 8.484 ( 7.185 4.908 -2.151) 8.963 9.470 ( -19.173 -17.826 0.398) 26.183 13.321 ( 3.826 -6.988 -0.878) 8.015 ======================= Grid point 612 (229/417) ======================= q-point: ( 0.69 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 2.129 -1.210 -6.524) 6.968 3.502 ( -3.741 14.775 -4.968) 16.030 4.083 ( -0.472 8.494 5.289) 10.017 4.346 ( -0.021 2.923 -4.456) 5.329 4.701 ( -3.892 8.952 1.074) 9.821 5.871 ( 2.621 -2.992 2.889) 4.916 7.269 ( 7.718 -6.345 -0.650) 10.013 7.698 ( -11.507 18.568 3.135) 22.068 8.301 ( 7.262 2.233 1.175) 7.688 8.604 ( 3.754 0.658 -2.018) 4.312 9.041 ( -16.175 -5.258 -3.556) 17.376 13.344 ( 7.689 -8.726 1.095) 11.682 ======================= Grid point 613 (230/417) ======================= q-point: (-0.25 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( -1.470 -1.607 -5.907) 6.295 3.514 ( -9.308 13.599 -5.425) 17.350 4.145 ( -2.827 6.771 2.772) 7.844 4.348 ( -1.155 0.375 0.141) 1.223 4.677 ( -7.282 6.862 -1.089) 10.065 5.865 ( 0.327 -5.687 3.092) 6.482 7.303 ( 5.430 -9.463 -0.687) 10.932 7.639 ( -14.293 13.472 2.973) 19.865 8.494 ( 3.163 6.595 3.640) 8.170 8.621 ( 3.520 -2.226 0.240) 4.172 8.850 ( -1.756 4.494 -8.041) 9.378 13.413 ( 9.700 -8.276 1.537) 12.843 ======================= Grid point 614 (231/417) ======================= q-point: (-0.19 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -4.887 -0.808 -3.518) 6.075 3.416 ( -13.905 10.052 -4.565) 17.755 4.100 ( -11.586 5.747 -0.305) 12.937 4.305 ( -4.190 -1.170 2.546) 5.041 4.630 ( -1.673 2.939 -2.481) 4.195 5.779 ( -5.433 -6.285 3.511) 9.020 7.272 ( 2.561 -9.050 -0.713) 9.432 7.510 ( -15.035 8.588 3.453) 17.656 8.452 ( -8.295 3.333 -3.119) 9.468 8.702 ( 3.810 1.122 -1.146) 4.133 9.080 ( 20.451 7.612 -0.750) 21.835 13.519 ( 10.879 -6.428 0.459) 12.644 ======================= Grid point 615 (232/417) ======================= q-point: (-0.12 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( -8.144 0.931 -0.290) 8.202 3.215 ( -17.230 5.604 -2.814) 18.336 3.858 ( -19.617 1.503 -1.841) 19.761 4.199 ( -8.332 -0.934 3.388) 9.043 4.670 ( 4.124 1.829 -5.557) 7.158 5.569 ( -14.128 -5.676 4.539) 15.887 7.228 ( 0.003 -4.862 -0.470) 4.884 7.323 ( -13.717 2.864 2.931) 14.316 8.322 ( -8.657 3.079 -2.776) 9.598 8.796 ( 8.938 -0.947 -7.406) 11.646 9.573 ( 26.528 8.155 5.704) 28.333 13.652 ( 11.342 -4.768 -2.450) 12.545 ======================= Grid point 623 (233/417) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -0.000 6.164 9.806) 11.582 2.276 ( -0.000 18.549 5.257) 19.280 2.976 ( 0.000 8.450 -4.280) 9.472 3.724 ( 0.000 16.827 -1.669) 16.910 4.135 ( 0.000 26.696 -4.515) 27.075 5.157 ( 0.000 12.491 0.406) 12.498 6.683 ( 0.000 6.515 0.444) 6.530 7.447 ( 0.000 -4.051 -1.381) 4.280 8.110 ( -0.000 -1.453 -0.243) 1.473 8.806 ( 0.000 -6.247 -11.289) 12.902 10.974 ( -0.000 -35.695 12.869) 37.944 13.818 ( 0.000 5.924 -16.320) 17.362 ======================= Grid point 624 (234/417) ======================= q-point: ( 0.44 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 1.825 4.245 6.264) 7.783 2.548 ( 9.870 14.301 4.497) 17.949 3.113 ( 7.065 11.551 -4.172) 14.168 3.889 ( 2.946 12.207 -1.905) 12.701 4.341 ( 1.066 16.470 -5.500) 17.397 5.321 ( 0.993 18.091 1.981) 18.226 6.817 ( 8.817 6.462 0.434) 10.941 7.379 ( -4.380 -1.026 -1.766) 4.833 8.102 ( -0.822 1.562 -0.013) 1.765 8.697 ( -0.197 -8.535 -9.970) 13.126 10.649 ( -1.638 -36.445 12.281) 38.494 13.768 ( -6.067 4.413 -13.238) 15.216 ======================= Grid point 625 (235/417) ======================= q-point: ( 0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 3.736 2.669 3.007) 5.488 2.871 ( 12.360 9.323 2.864) 15.745 3.414 ( 12.510 16.956 -2.977) 21.281 4.041 ( 5.548 5.695 -2.131) 8.231 4.462 ( -0.159 10.624 -3.818) 11.290 5.535 ( 2.293 17.283 2.133) 17.564 7.100 ( 13.186 9.164 0.586) 16.068 7.285 ( -4.195 0.809 -0.904) 4.367 8.119 ( 0.142 3.774 -0.597) 3.824 8.567 ( -2.128 -7.187 -8.604) 11.411 10.291 ( -3.595 -35.587 10.434) 37.259 13.621 ( -10.101 2.379 -9.882) 14.330 ======================= Grid point 626 (236/417) ======================= q-point: ( 0.56 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 4.950 1.537 0.347) 5.195 3.163 ( 11.423 8.224 0.717) 14.093 3.784 ( 9.296 17.877 0.016) 20.149 4.184 ( 8.701 2.414 -5.235) 10.437 4.538 ( -0.063 7.889 0.591) 7.912 5.723 ( 1.873 11.400 1.852) 11.700 7.158 ( -4.575 1.573 -1.972) 5.224 7.511 ( 13.752 12.501 4.048) 19.021 8.183 ( 3.602 4.057 -2.831) 6.120 8.439 ( -3.832 -2.730 -6.416) 7.956 9.905 ( -6.399 -31.982 7.295) 33.422 13.430 ( -9.717 -0.361 -6.280) 11.576 ======================= Grid point 627 (237/417) ======================= q-point: ( 0.62 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 4.721 0.750 -1.804) 5.109 3.422 ( 8.657 9.912 -1.271) 13.221 4.020 ( 2.958 8.289 4.315) 9.802 4.331 ( 3.796 6.957 -9.403) 12.298 4.662 ( 5.571 8.508 4.034) 10.941 5.818 ( -0.189 3.623 1.835) 4.066 7.115 ( -0.406 -0.030 -1.064) 1.139 7.834 ( 5.611 15.495 5.952) 17.522 8.250 ( -0.436 0.358 -5.508) 5.537 8.403 ( 4.163 4.130 -3.637) 6.900 9.513 ( -9.031 -24.155 3.608) 26.039 13.266 ( -4.990 -3.610 -2.932) 6.821 ======================= Grid point 628 (238/417) ======================= q-point: ( 0.69 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 3.019 0.350 -3.175) 4.395 3.631 ( 3.686 12.344 -3.270) 13.291 4.122 ( 2.352 2.121 4.720) 5.684 4.359 ( -1.768 1.742 -3.760) 4.505 4.879 ( 2.274 16.156 0.214) 16.317 5.809 ( -0.326 -4.815 2.308) 5.349 7.130 ( 3.097 -2.062 -0.465) 3.750 8.031 ( -5.129 15.255 4.619) 16.743 8.215 ( 3.334 0.008 -0.921) 3.458 8.535 ( 5.112 2.833 -3.803) 6.973 9.181 ( -9.491 -11.313 -0.349) 14.771 13.182 ( 1.530 -6.075 -0.591) 6.293 ======================= Grid point 629 (239/417) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 0.424 0.656 -3.190) 3.284 3.750 ( -3.577 13.696 -5.045) 15.028 4.176 ( 0.392 1.204 0.035) 1.267 4.324 ( 1.378 -5.704 4.603) 7.458 4.986 ( -10.427 18.516 -2.664) 21.416 5.763 ( 3.375 -10.090 3.057) 11.070 7.157 ( 3.448 -4.069 -0.392) 5.347 7.970 ( -11.876 6.710 2.020) 13.790 8.414 ( 12.672 4.144 3.820) 13.869 8.570 ( -0.265 0.191 -2.116) 2.141 8.977 ( -8.461 1.076 -4.224) 9.518 13.194 ( 6.871 -6.342 0.208) 9.352 ======================= Grid point 630 (240/417) ======================= q-point: (-0.19 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( -2.383 1.897 -1.745) 3.511 3.722 ( -11.912 10.455 -5.180) 16.674 4.150 ( -0.625 -3.226 -4.126) 5.275 4.351 ( 3.155 -3.317 8.991) 10.090 4.869 ( -17.533 10.708 -3.597) 20.857 5.749 ( 2.753 -7.020 2.948) 8.096 7.163 ( 2.293 -3.823 -0.600) 4.498 7.817 ( -13.003 3.049 3.466) 13.798 8.531 ( 1.525 -1.713 -5.222) 5.704 8.664 ( 3.268 0.025 2.058) 3.862 8.921 ( 3.671 8.777 -0.514) 9.528 13.283 ( 9.764 -4.584 -0.660) 10.807 ======================= Grid point 631 (241/417) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( -5.163 3.843 0.480) 6.454 3.533 ( -16.043 3.611 -3.398) 16.791 4.050 ( -6.792 -4.406 -5.128) 9.584 4.372 ( -4.606 0.529 8.849) 9.990 4.668 ( -7.970 2.081 -5.467) 9.886 5.702 ( -4.738 -2.658 2.836) 6.128 7.170 ( 1.692 -0.444 -1.086) 2.059 7.601 ( -15.025 -1.556 3.810) 15.578 8.499 ( -7.268 3.402 -3.489) 8.751 8.614 ( 4.203 -6.134 -7.004) 10.215 9.262 ( 20.734 6.789 7.196) 22.973 13.417 ( 10.472 -2.464 -2.973) 11.161 ======================= Grid point 640 (242/417) ======================= q-point: ( 0.44 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -0.000 2.249 4.305) 4.857 2.603 ( -0.000 11.487 3.729) 12.077 3.136 ( 0.000 10.748 -3.661) 11.354 3.965 ( 0.000 9.027 -2.754) 9.438 4.463 ( 0.000 12.967 -4.026) 13.577 5.500 ( 0.000 18.456 0.957) 18.481 6.769 ( 0.000 2.294 -0.624) 2.378 7.423 ( 0.000 2.686 -1.960) 3.325 8.145 ( 0.000 4.814 0.654) 4.858 8.580 ( 0.000 -8.517 -8.101) 11.755 10.341 ( -0.000 -36.967 11.091) 38.595 13.825 ( 0.000 4.141 -10.783) 11.551 ======================= Grid point 641 (243/417) ======================= q-point: ( 0.50 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 1.880 0.947 2.829) 3.526 2.782 ( 8.115 7.487 2.667) 11.358 3.331 ( 11.006 12.429 -2.778) 16.833 4.035 ( 1.177 4.792 -2.232) 5.416 4.562 ( -0.549 10.440 -2.607) 10.774 5.674 ( 0.875 14.886 -0.103) 14.912 6.900 ( 13.452 2.244 -0.608) 13.652 7.405 ( -5.711 4.815 -1.823) 7.688 8.191 ( -1.583 6.454 0.903) 6.706 8.489 ( 0.522 -5.645 -6.488) 8.616 10.009 ( -1.064 -36.028 9.361) 37.240 13.770 ( -6.901 3.234 -8.380) 11.327 ======================= Grid point 642 (244/417) ======================= q-point: ( 0.56 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 3.634 0.542 1.990) 4.179 3.025 ( 12.160 5.357 1.623) 13.386 3.707 ( 17.578 13.888 -1.678) 22.465 4.088 ( 2.607 1.424 -1.691) 3.419 4.627 ( -1.460 7.557 -0.963) 7.757 5.812 ( 0.979 9.978 -0.422) 10.034 7.235 ( 15.791 5.670 -1.979) 16.895 7.335 ( -1.759 3.856 0.488) 4.266 8.221 ( -1.783 5.328 0.015) 5.618 8.447 ( -0.503 0.644 -4.676) 4.747 9.670 ( -1.912 -33.458 7.335) 34.306 13.609 ( -11.700 1.904 -6.046) 13.306 ======================= Grid point 643 (245/417) ======================= q-point: ( 0.62 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 4.320 0.586 1.152) 4.509 3.301 ( 13.449 5.403 0.861) 14.519 4.054 ( 3.621 6.889 3.223) 8.423 4.220 ( 15.020 7.258 -6.862) 18.038 4.665 ( 0.429 3.700 1.843) 4.156 5.886 ( -1.330 5.059 -0.200) 5.235 7.198 ( -7.491 3.440 -1.222) 8.333 7.717 ( 21.678 6.385 1.488) 22.648 8.249 ( 0.346 5.041 -3.147) 5.953 8.442 ( -2.371 5.330 -1.964) 6.156 9.352 ( -1.939 -28.310 5.490) 28.903 13.393 ( -12.306 0.192 -3.697) 12.850 ======================= Grid point 644 (246/417) ======================= q-point: ( 0.69 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( 3.717 0.801 0.125) 3.805 3.580 ( 12.068 6.530 0.011) 13.721 4.113 ( 1.191 0.440 3.574) 3.793 4.422 ( -1.593 5.998 -6.440) 8.944 4.842 ( 14.993 6.821 2.811) 16.710 5.846 ( -6.155 -0.774 -0.007) 6.203 7.126 ( -3.239 1.276 -0.281) 3.492 8.058 ( 11.746 2.882 2.472) 12.344 8.285 ( -4.361 7.265 -3.062) 9.010 8.487 ( 3.058 6.084 -2.636) 7.302 9.117 ( 0.133 -18.138 3.688) 18.509 13.198 ( -8.188 -1.450 -1.537) 8.457 ======================= Grid point 645 (247/417) ======================= q-point: ( 0.75 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 2.286 1.455 -0.541) 2.763 3.820 ( 7.417 8.300 -1.600) 11.245 4.157 ( 3.264 -1.047 4.197) 5.420 4.328 ( -7.730 -2.031 -3.052) 8.555 5.191 ( 10.646 13.661 -0.083) 17.320 5.668 ( -8.180 -9.619 0.639) 12.643 7.106 ( 0.074 -0.349 -0.030) 0.358 8.181 ( -3.885 -0.122 -1.496) 4.164 8.266 ( 3.692 2.766 2.993) 5.499 8.577 ( 1.207 3.725 -1.879) 4.343 9.037 ( 0.816 -3.425 0.306) 3.534 13.098 ( -1.102 -1.798 -0.236) 2.122 ======================= Grid point 646 (248/417) ======================= q-point: (-0.19 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 0.469 2.886 -0.329) 2.942 3.949 ( -2.897 9.109 -4.287) 10.476 4.139 ( -6.444 -6.565 -2.011) 9.417 4.244 ( 6.702 -2.417 5.864) 9.227 5.266 ( -18.898 5.861 -2.393) 19.931 5.568 ( 11.547 -6.449 2.440) 13.449 7.115 ( 1.288 0.123 -0.239) 1.315 8.043 ( -10.790 -0.154 2.677) 11.119 8.375 ( 7.848 -4.647 -3.788) 9.877 8.619 ( 2.050 1.202 1.348) 2.732 9.025 ( -2.917 4.243 -0.119) 5.151 13.125 ( 5.183 -0.146 -0.468) 5.206 ======================= Grid point 647 (249/417) ======================= q-point: (-0.12 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( -1.650 4.928 0.584) 5.230 3.793 ( -14.544 -2.030 -3.293) 15.050 4.054 ( -0.820 -2.557 -2.948) 3.987 4.359 ( 5.350 0.013 4.861) 7.229 4.908 ( -18.571 -6.144 -1.648) 19.630 5.707 ( 3.796 2.152 1.565) 4.635 7.157 ( 1.792 3.740 -0.711) 4.208 7.822 ( -13.719 -5.473 3.581) 15.199 8.414 ( 5.482 -4.862 -7.205) 10.276 8.635 ( -2.511 -1.007 -0.292) 2.721 9.089 ( 7.278 3.584 4.605) 9.329 13.248 ( 7.997 2.273 -2.001) 8.551 ======================= Grid point 657 (250/417) ======================= q-point: ( 0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -0.000 -0.096 3.182) 3.183 2.781 ( -0.000 5.319 2.167) 5.744 3.329 ( 0.000 10.247 -2.244) 10.490 4.060 ( 0.000 3.033 -1.272) 3.289 4.657 ( 0.000 9.172 -2.067) 9.401 5.787 ( 0.000 10.469 -1.608) 10.592 6.776 ( 0.000 -0.517 -0.746) 0.908 7.519 ( 0.000 7.849 -1.463) 7.984 8.281 ( 0.000 7.583 0.682) 7.614 8.415 ( 0.000 -3.365 -4.188) 5.372 9.700 ( -0.000 -34.378 7.435) 35.173 13.837 ( 0.000 3.151 -6.639) 7.349 ======================= Grid point 658 (251/417) ======================= q-point: ( 0.56 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 2.045 -0.078 4.172) 4.647 2.899 ( 7.774 3.458 1.771) 8.690 3.531 ( 13.210 9.019 -1.755) 16.091 4.083 ( 0.307 1.685 0.113) 1.716 4.719 ( -1.326 6.757 -1.708) 7.094 5.872 ( 0.936 6.691 -1.770) 6.984 6.916 ( 16.813 0.396 -0.638) 16.829 7.526 ( -7.764 7.703 -0.836) 10.969 8.312 ( -2.948 4.594 -0.233) 5.464 8.434 ( 2.978 3.309 -2.142) 4.941 9.393 ( -0.705 -31.291 5.475) 31.774 13.782 ( -7.445 2.616 -5.051) 9.370 ======================= Grid point 659 (252/417) ======================= q-point: ( 0.62 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 3.417 0.333 4.479) 5.644 3.113 ( 12.982 2.626 1.839) 13.372 3.912 ( 21.673 7.899 -1.941) 23.149 4.104 ( 0.279 0.881 1.375) 1.657 4.729 ( -2.805 3.365 -1.140) 4.527 5.935 ( 0.546 3.956 -1.286) 4.195 7.303 ( 22.672 2.755 -2.272) 22.952 7.427 ( -7.235 4.578 1.070) 8.628 8.315 ( -1.840 6.420 -1.698) 6.891 8.512 ( 0.719 5.371 -0.274) 5.426 9.111 ( -0.559 -27.021 4.356) 27.376 13.615 ( -12.724 1.972 -3.467) 13.334 ======================= Grid point 660 (253/417) ======================= q-point: ( 0.69 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 3.730 0.556 3.500) 5.145 3.387 ( 15.221 2.314 2.180) 15.550 4.118 ( 0.050 0.262 2.446) 2.460 4.351 ( 19.286 7.400 -4.668) 21.178 4.700 ( 0.418 -1.089 1.447) 1.859 5.938 ( -3.414 1.193 -1.264) 3.831 7.257 ( -9.715 2.579 -0.019) 10.052 7.778 ( 22.738 0.035 -1.459) 22.785 8.389 ( 1.259 12.414 -4.047) 13.117 8.539 ( -2.807 3.058 1.221) 4.327 8.903 ( 2.725 -20.386 5.122) 21.196 13.391 ( -13.838 1.528 -1.727) 14.029 ======================= Grid point 661 (254/417) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 3.469 0.919 1.931) 4.075 3.672 ( 14.685 1.839 2.540) 15.016 4.126 ( 0.228 -1.136 3.149) 3.356 4.455 ( -6.901 2.082 -6.427) 9.658 4.926 ( 22.576 -1.092 2.999) 22.800 5.815 ( -10.552 -1.224 -1.900) 10.792 7.147 ( -4.859 0.625 0.466) 4.922 8.023 ( 10.745 -4.636 -2.945) 12.067 8.431 ( -8.664 4.631 2.247) 10.078 8.587 ( 2.869 7.524 -3.971) 8.978 8.884 ( 9.955 -8.016 4.726) 13.627 13.197 ( -9.861 1.943 -0.101) 10.051 ======================= Grid point 662 (255/417) ======================= q-point: (-0.19 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 3.034 1.999 0.672) 3.695 3.914 ( 10.860 0.037 2.679) 11.185 4.111 ( -0.782 -6.206 3.090) 6.977 4.303 ( -8.446 3.510 -5.322) 10.582 5.241 ( 15.196 -12.778 2.498) 20.011 5.594 ( -12.023 6.196 -2.651) 13.783 7.112 ( -0.308 1.022 0.278) 1.103 8.076 ( 4.159 -8.346 -3.856) 10.091 8.333 ( -6.610 2.129 4.445) 8.245 8.630 ( -1.083 2.296 -0.690) 2.630 9.024 ( 5.998 1.107 -0.002) 6.099 13.119 ( -2.435 3.859 0.603) 4.602 ======================= Grid point 663 (256/417) ======================= q-point: (-0.12 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 2.210 3.829 -0.000) 4.421 3.919 ( -7.581 -13.131 0.000) 15.162 4.036 ( 0.451 0.781 -0.000) 0.902 4.307 ( 3.020 5.231 0.000) 6.040 5.050 ( -10.922 -18.917 -0.000) 21.843 5.675 ( 5.103 8.838 -0.000) 10.205 7.162 ( 2.769 4.797 -0.000) 5.539 7.941 ( -7.273 -12.597 -0.000) 14.546 8.307 ( 0.413 0.716 -0.000) 0.826 8.633 ( 0.365 0.631 0.000) 0.729 9.071 ( -0.134 -0.231 -0.000) 0.267 13.187 ( 3.727 6.456 -0.000) 7.455 ======================= Grid point 675 (257/417) ======================= q-point: ( 0.56 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -0.000 0.115 6.990) 6.991 2.862 ( -0.000 1.986 1.612) 2.558 3.480 ( 0.000 6.020 -1.397) 6.180 4.100 ( -0.000 1.520 1.515) 2.146 4.783 ( 0.000 4.840 -2.073) 5.265 5.910 ( 0.000 4.301 -1.545) 4.570 6.760 ( -0.000 -0.514 -0.014) 0.515 7.680 ( 0.000 8.306 0.028) 8.306 8.400 ( 0.000 3.352 -1.591) 3.711 8.413 ( 0.000 5.003 -0.012) 5.003 9.129 ( -0.000 -26.568 3.026) 26.740 13.857 ( 0.000 2.487 -4.070) 4.769 ======================= Grid point 676 (258/417) ======================= q-point: ( 0.62 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 1.618 0.415 8.452) 8.616 2.952 ( 8.146 0.904 1.891) 8.411 3.645 ( 13.999 3.514 -1.425) 14.503 4.123 ( 0.030 1.603 2.969) 3.374 4.794 ( -1.958 2.181 -2.327) 3.742 5.948 ( 0.812 2.678 -0.884) 2.934 6.920 ( 18.211 0.308 -0.107) 18.214 7.663 ( -9.880 5.545 1.022) 11.376 8.406 ( -1.687 6.132 -1.276) 6.487 8.510 ( 4.271 2.976 0.394) 5.221 8.900 ( -1.094 -19.735 1.127) 19.797 13.802 ( -7.568 2.234 -3.099) 8.477 ======================= Grid point 677 (259/417) ======================= q-point: (-0.31 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 2.476 0.057 7.235) 7.648 3.155 ( 13.797 -0.013 2.783) 14.075 3.976 ( 21.340 0.391 -2.601) 21.501 4.157 ( 1.253 2.239 4.734) 5.385 4.743 ( -3.938 -0.628 -2.316) 4.611 5.971 ( -0.295 0.546 -1.061) 1.229 7.314 ( 24.635 -0.086 -2.076) 24.722 7.501 ( -11.182 1.346 1.869) 11.417 8.456 ( 1.085 6.081 -2.037) 6.504 8.604 ( 2.602 2.640 3.238) 4.922 8.725 ( -2.060 -9.884 0.182) 10.098 13.639 ( -12.777 2.319 -1.838) 13.115 ======================= Grid point 678 (260/417) ======================= q-point: (-0.25 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 3.190 -0.451 4.479) 5.518 3.417 ( 16.116 -1.450 3.799) 16.621 4.131 ( 0.650 -0.838 2.576) 2.786 4.403 ( 18.622 0.511 -3.512) 18.957 4.655 ( -0.774 -3.647 0.816) 3.817 5.921 ( -4.500 -2.018 -2.165) 5.386 7.284 ( -10.364 -0.424 1.089) 10.429 7.712 ( 19.491 -4.705 -3.867) 20.420 8.510 ( 2.385 -5.161 1.594) 5.904 8.670 ( 0.446 -0.206 0.124) 0.507 8.700 ( 2.087 13.101 2.292) 13.462 13.431 ( -13.645 3.198 -0.192) 14.016 ======================= Grid point 679 (261/417) ======================= q-point: (-0.19 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 4.167 -0.216 1.667) 4.493 3.672 ( 14.963 -4.838 4.671) 16.404 4.112 ( -2.005 -2.602 3.360) 4.699 4.436 ( -5.812 1.155 -7.626) 9.658 4.831 ( 19.472 -10.225 3.796) 22.319 5.779 ( -7.729 -1.182 -2.950) 8.357 7.155 ( -4.243 -0.063 0.856) 4.329 7.860 ( 8.820 -9.331 -4.866) 13.731 8.475 ( -3.763 -0.358 5.819) 6.939 8.663 ( -0.238 -2.955 2.105) 3.636 8.935 ( 6.587 13.926 -3.168) 15.727 13.273 ( -9.265 5.306 1.370) 10.764 ======================= Grid point 692 (262/417) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -0.000 0.302 11.385) 11.389 2.888 ( -0.000 -0.421 1.664) 1.716 3.537 ( 0.000 0.606 -1.080) 1.238 4.153 ( -0.000 2.110 4.455) 4.930 4.814 ( 0.000 0.040 -2.935) 2.935 5.960 ( 0.000 1.337 -0.155) 1.346 6.763 ( -0.000 0.537 0.812) 0.973 7.813 ( -0.000 3.244 3.148) 4.521 8.457 ( 0.000 -0.464 -0.748) 0.881 8.467 ( 0.000 0.470 -0.211) 0.516 8.791 ( 0.000 -3.611 -1.729) 4.003 13.879 ( 0.000 2.125 -2.762) 3.485 ======================= Grid point 693 (263/417) ======================= q-point: (-0.31 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 0.492 -0.856 10.635) 10.680 2.960 ( 8.678 -1.664 2.342) 9.142 3.648 ( 13.794 -2.203 -1.266) 14.026 4.192 ( -0.135 2.385 5.942) 6.404 4.774 ( -2.177 -2.088 -3.374) 4.526 5.964 ( 0.180 -1.210 -0.636) 1.379 6.927 ( 17.241 0.312 0.198) 17.245 7.724 ( -11.287 -1.883 3.548) 11.981 8.442 ( 0.214 -5.665 0.394) 5.683 8.506 ( 5.880 -0.014 0.238) 5.885 8.813 ( -2.327 12.641 -2.392) 13.074 13.829 ( -7.244 2.346 -2.121) 7.904 ======================= Grid point 694 (264/417) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 1.435 -2.435 6.958) 7.510 3.145 ( 14.190 -3.351 3.598) 15.018 3.908 ( 19.940 -5.770 -1.711) 20.828 4.237 ( 1.089 1.620 6.366) 6.658 4.684 ( -3.792 -2.894 -3.113) 5.696 5.924 ( -1.169 -4.962 -2.185) 5.546 7.274 ( 22.365 -2.521 -2.171) 22.611 7.487 ( -12.403 -4.164 2.124) 13.255 8.396 ( 2.356 -7.291 1.964) 7.910 8.612 ( 3.921 1.548 3.250) 5.323 8.927 ( -2.954 21.228 -2.602) 21.590 13.683 ( -11.869 3.298 -0.830) 12.346 ======================= Grid point 695 (265/417) ======================= q-point: (-0.19 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 3.418 -3.158 2.915) 5.491 3.370 ( 15.543 -6.388 4.281) 17.341 4.083 ( 6.118 -7.389 2.589) 9.936 4.337 ( 10.296 -4.317 -3.038) 11.571 4.607 ( -0.623 -1.026 1.894) 2.242 5.814 ( -2.931 -7.441 -3.437) 8.705 7.261 ( -8.859 -2.262 1.331) 9.239 7.551 ( 15.295 -8.731 -4.606) 18.203 8.416 ( 6.498 -5.783 3.867) 9.519 8.664 ( -1.567 0.996 5.923) 6.207 9.101 ( -2.092 24.420 -4.445) 24.909 13.516 ( -12.000 5.249 1.092) 13.143 ======================= Grid point 709 (266/417) ======================= q-point: (-0.31 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( -0.000 -2.696 11.738) 12.043 2.864 ( -0.000 -3.400 1.660) 3.784 3.491 ( -0.000 -4.471 -0.942) 4.569 4.240 ( -0.000 2.186 7.502) 7.814 4.752 ( 0.000 -3.580 -3.758) 5.190 5.933 ( 0.000 -4.722 -1.351) 4.911 6.788 ( -0.000 1.131 1.076) 1.561 7.796 ( -0.000 -8.276 5.011) 9.675 8.389 ( -0.000 -5.566 -0.989) 5.653 8.462 ( 0.000 4.683 0.899) 4.769 8.986 ( 0.000 19.992 -2.456) 20.142 13.907 ( 0.000 2.598 -2.241) 3.431 ======================= Grid point 710 (267/417) ======================= q-point: (-0.25 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( -0.514 -5.130 8.713) 10.124 2.910 ( 9.295 -5.387 2.489) 11.028 3.547 ( 12.800 -7.081 -1.092) 14.669 4.273 ( -0.629 -0.286 7.634) 7.665 4.690 ( -1.652 -3.003 -2.981) 4.543 5.855 ( -0.172 -9.575 -3.082) 10.060 6.928 ( 14.228 -0.522 -0.095) 14.238 7.631 ( -9.097 -8.720 3.030) 12.961 8.315 ( -0.260 -6.888 0.251) 6.897 8.593 ( 4.404 8.245 3.828) 10.101 9.184 ( -1.689 24.885 -2.240) 25.042 13.871 ( -6.547 3.495 -1.680) 7.609 ======================= Grid point 711 (268/417) ======================= q-point: (-0.19 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 1.394 -6.666 4.178) 7.989 3.060 ( 14.060 -8.068 3.369) 16.557 3.731 ( 17.969 -11.141 -1.021) 21.167 4.252 ( -0.716 -5.419 3.585) 6.537 4.643 ( -1.688 1.220 1.135) 2.372 5.721 ( -0.290 -13.923 -4.546) 14.649 7.178 ( 17.085 -5.964 -2.690) 18.295 7.397 ( -10.037 -5.084 1.497) 11.350 8.276 ( 3.504 -6.404 2.288) 7.650 8.740 ( 0.536 8.086 6.107) 10.147 9.393 ( -3.254 27.656 -2.895) 27.997 13.762 ( -10.279 5.203 -0.067) 11.521 ======================= Grid point 726 (269/417) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( -0.000 -8.287 8.481) 11.857 2.765 ( -0.000 -8.222 1.367) 8.335 3.361 ( -0.000 -7.824 -0.870) 7.872 4.277 ( -0.000 -5.780 6.011) 8.339 4.676 ( -0.000 -0.637 -0.098) 0.645 5.722 ( 0.000 -15.115 -4.775) 15.851 6.808 ( -0.000 -0.125 0.459) 0.476 7.620 ( -0.000 -10.218 2.341) 10.483 8.252 ( -0.000 -7.073 -0.441) 7.087 8.680 ( -0.000 13.342 5.722) 14.517 9.453 ( 0.000 28.378 -1.335) 28.409 13.957 ( 0.000 4.218 -2.107) 4.715 ======================= Grid point 727 (270/417) ======================= q-point: (-0.19 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -0.551 -10.647 5.020) 11.784 2.767 ( 10.112 -11.330 1.990) 15.317 3.372 ( 10.662 -9.591 -1.006) 14.376 4.195 ( -0.751 -11.618 1.966) 11.807 4.687 ( -0.327 1.937 4.778) 5.167 5.534 ( 0.359 -19.682 -6.380) 20.694 6.889 ( 9.975 -3.587 -0.939) 10.642 7.485 ( -5.876 -6.424 1.147) 8.781 8.189 ( 0.693 -5.503 0.830) 5.608 8.848 ( 0.999 12.673 6.518) 14.286 9.721 ( -2.339 30.579 -0.739) 30.677 13.949 ( -5.543 5.586 -1.441) 8.000 ======================= Grid point 743 (271/417) ======================= q-point: (-0.19 -0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -0.000 -14.305 4.449) 14.981 2.545 ( -0.000 -15.369 0.990) 15.401 3.194 ( -0.000 -8.226 -0.978) 8.284 4.065 ( -0.000 -16.406 -0.410) 16.412 4.711 ( -0.000 -3.030 8.662) 9.177 5.303 ( 0.000 -20.549 -8.393) 22.197 6.770 ( -0.000 -4.042 -0.624) 4.090 7.481 ( -0.000 -4.215 0.475) 4.242 8.143 ( -0.000 -3.274 0.583) 3.325 8.991 ( -0.000 12.954 6.489) 14.488 10.054 ( 0.000 32.534 1.184) 32.556 14.047 ( 0.000 6.386 -2.151) 6.739 ======================= Grid point 830 (272/417) ======================= q-point: ( 0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -0.000 -0.000 20.828) 20.828 0.682 ( -0.000 -0.000 20.828) 20.828 1.331 ( -0.000 -0.000 41.648) 41.648 2.658 ( 0.000 0.000 -3.803) 3.803 2.658 ( 0.000 0.000 -3.803) 3.803 5.982 ( 0.000 0.000 -13.366) 13.366 6.276 ( -0.000 -0.000 1.924) 1.924 6.276 ( -0.000 -0.000 1.924) 1.924 8.447 ( 0.000 0.000 -1.460) 1.460 8.447 ( 0.000 0.000 -1.460) 1.460 12.459 ( -0.000 -0.000 3.932) 3.932 13.035 ( 0.000 0.000 -1.955) 1.955 ======================= Grid point 831 (273/417) ======================= q-point: ( 0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 15.730 9.081 15.957) 24.177 1.122 ( 19.593 11.312 19.384) 29.793 1.668 ( 21.807 12.590 28.936) 38.358 2.647 ( 1.123 0.648 -4.440) 4.626 2.785 ( 11.129 6.425 -3.710) 13.376 5.305 ( -14.984 -8.651 -0.092) 17.302 6.308 ( 2.178 1.257 1.957) 3.187 7.652 ( 52.604 30.371 -28.826) 67.235 8.326 ( -4.773 -2.755 -5.093) 7.504 8.414 ( -2.614 -1.509 -1.448) 3.348 12.391 ( -8.238 -4.756 6.228) 11.370 13.312 ( 18.866 10.892 -20.634) 30.005 ======================= Grid point 832 (274/417) ======================= q-point: ( 0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 20.602 11.894 11.026) 26.220 1.490 ( 9.579 5.531 21.770) 24.419 2.455 ( 36.881 21.293 11.946) 44.231 2.677 ( 2.832 1.635 -4.909) 5.899 3.116 ( 19.052 11.000 -3.605) 22.293 5.100 ( -5.145 -2.970 -4.515) 7.461 6.386 ( 4.221 2.437 1.774) 5.186 7.851 ( -12.122 -6.999 -1.765) 14.108 8.328 ( -4.317 -2.493 -1.329) 5.159 8.669 ( 25.060 14.469 -21.093) 35.809 12.154 ( -14.697 -8.485 11.063) 20.258 13.533 ( 7.608 4.393 -28.002) 29.348 ======================= Grid point 833 (275/417) ======================= q-point: ( 0.38 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 10.435 6.024 14.287) 18.689 1.932 ( 21.232 12.258 8.253) 25.869 2.739 ( 4.104 2.370 -5.338) 7.138 3.244 ( 27.582 15.925 7.918) 32.819 3.632 ( 28.341 16.363 -5.924) 33.258 5.001 ( -2.365 -1.365 -4.240) 5.043 6.505 ( 5.627 3.249 1.383) 6.643 7.572 ( -10.410 -6.010 -1.649) 12.134 8.225 ( -4.001 -2.310 -1.067) 4.742 8.966 ( 6.635 3.831 -13.843) 15.821 11.812 ( -19.754 -11.405 14.741) 27.159 13.518 ( 0.608 0.351 -25.046) 25.055 ======================= Grid point 834 (276/417) ======================= q-point: ( 0.44 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 11.965 6.908 6.158) 15.126 2.415 ( 18.766 10.834 7.092) 22.800 2.824 ( 5.227 3.018 -6.026) 8.529 3.767 ( 18.429 10.640 6.328) 22.201 4.223 ( 21.690 12.522 -12.533) 28.006 5.009 ( 5.531 3.193 2.459) 6.844 6.636 ( 5.236 3.023 0.778) 6.096 7.403 ( -3.656 -2.111 -1.805) 4.591 8.160 ( -1.120 -0.647 -0.603) 1.427 8.914 ( -6.340 -3.661 -11.352) 13.508 11.337 ( -26.872 -15.514 12.376) 33.406 13.460 ( 1.373 0.793 -16.214) 16.292 ======================= Grid point 835 (277/417) ======================= q-point: ( 0.50 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 11.937 6.892 -1.090) 13.827 2.780 ( 9.843 5.683 5.207) 12.501 2.961 ( 10.115 5.840 -5.170) 12.773 4.149 ( 13.574 7.837 5.914) 16.753 4.422 ( 2.893 1.670 -15.380) 15.739 5.300 ( 15.847 9.149 5.986) 19.253 6.732 ( 3.021 1.744 0.003) 3.489 7.406 ( 4.385 2.532 -1.855) 5.392 8.182 ( 3.048 1.760 0.048) 3.520 8.668 ( -10.965 -6.331 -8.862) 15.455 10.685 ( -32.977 -19.039 5.809) 38.519 13.486 ( 4.032 2.328 -6.207) 7.759 ======================= Grid point 836 (278/417) ======================= q-point: ( 0.56 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 9.845 5.684 -7.587) 13.667 2.911 ( 3.264 1.884 -0.727) 3.838 3.216 ( 10.800 6.235 0.237) 12.473 4.346 ( 0.070 0.041 -6.663) 6.664 4.456 ( 7.676 4.432 1.068) 8.927 5.636 ( 11.615 6.706 3.450) 13.849 6.774 ( 1.073 0.619 -0.689) 1.417 7.568 ( 9.744 5.626 -2.667) 11.563 8.282 ( 5.127 2.960 0.649) 5.955 8.424 ( -7.370 -4.255 -4.286) 9.528 9.931 ( -33.816 -19.524 0.820) 39.056 13.579 ( 4.634 2.676 0.112) 5.352 ======================= Grid point 837 (279/417) ======================= q-point: ( 0.62 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 5.423 3.131 -12.797) 14.247 2.957 ( 1.370 0.791 -2.142) 2.662 3.409 ( 5.902 3.408 1.423) 6.962 4.307 ( 0.221 0.127 -6.559) 6.564 4.615 ( 4.298 2.482 4.622) 6.782 5.844 ( 6.237 3.601 1.826) 7.430 6.787 ( 0.497 0.287 -1.066) 1.210 7.774 ( 8.598 4.964 -3.857) 10.651 8.362 ( 3.190 1.842 -0.049) 3.684 8.388 ( 3.485 2.012 0.983) 4.143 9.213 ( -28.743 -16.595 -0.719) 33.198 13.679 ( 3.588 2.071 3.022) 5.128 ======================= Grid point 838 (280/417) ======================= q-point: (-0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( -0.401 -0.232 -14.962) 14.969 2.958 ( -0.612 -0.353 -2.536) 2.633 3.490 ( 0.818 0.472 1.777) 2.012 4.331 ( 3.583 2.069 -5.645) 6.999 4.673 ( -0.496 -0.286 5.316) 5.347 5.931 ( 0.839 0.485 1.767) 2.015 6.795 ( 0.627 0.362 -1.083) 1.303 7.924 ( 5.379 3.105 -2.756) 6.795 8.427 ( -0.545 -0.315 1.006) 1.186 8.490 ( 0.505 0.291 -2.288) 2.361 8.735 ( -5.428 -3.134 1.493) 6.443 13.759 ( 2.475 1.429 4.352) 5.207 ======================= Grid point 839 (281/417) ======================= q-point: (-0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( -5.524 -3.189 -13.444) 14.881 2.908 ( -3.294 -1.902 -2.536) 4.572 3.462 ( -3.667 -2.117 1.878) 4.632 4.399 ( 2.893 1.670 -7.571) 8.275 4.648 ( -2.248 -1.298 6.266) 6.783 5.884 ( -6.005 -3.467 3.145) 7.614 6.807 ( 0.624 0.360 -0.757) 1.045 7.885 ( -9.064 -5.233 -3.156) 10.931 8.370 ( -4.503 -2.600 0.718) 5.248 8.455 ( 6.756 3.901 1.764) 7.999 8.993 ( 18.771 10.838 -3.438) 21.946 13.830 ( 2.638 1.523 5.097) 5.938 ======================= Grid point 840 (282/417) ======================= q-point: (-0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( -9.341 -5.393 -9.572) 14.421 2.782 ( -7.448 -4.300 -2.115) 8.857 3.348 ( -6.606 -3.814 1.685) 7.811 4.325 ( -7.873 -4.545 -3.337) 9.684 4.679 ( 3.588 2.072 -0.681) 4.199 5.671 ( -14.326 -8.271 5.349) 17.386 6.811 ( -0.486 -0.281 -0.125) 0.575 7.639 ( -9.738 -5.622 -1.515) 11.346 8.249 ( -5.776 -3.335 0.134) 6.671 8.717 ( 13.584 7.843 -1.445) 15.752 9.467 ( 24.313 14.037 -4.268) 28.397 13.922 ( 4.184 2.416 4.829) 6.831 ======================= Grid point 847 (283/417) ======================= q-point: ( 0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -0.000 15.627 15.550) 22.045 1.205 ( -0.000 23.908 19.737) 31.002 1.779 ( -0.000 22.972 28.633) 36.709 2.673 ( 0.000 3.257 -4.118) 5.251 2.728 ( 0.000 10.470 -4.419) 11.365 5.300 ( -0.000 -18.031 -1.260) 18.075 6.314 ( -0.000 2.607 2.018) 3.297 7.535 ( 0.000 58.055 -24.720) 63.099 8.343 ( 0.000 -3.468 -5.305) 6.338 8.401 ( 0.000 -3.478 -1.564) 3.813 12.400 ( -0.000 -10.834 6.354) 12.560 13.261 ( 0.000 20.666 -17.851) 27.308 ======================= Grid point 848 (284/417) ======================= q-point: ( 0.31 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 13.517 18.126 11.818) 25.513 1.515 ( 5.040 10.790 23.406) 26.262 2.300 ( 17.951 35.046 13.695) 41.690 2.681 ( -0.494 5.377 -4.437) 6.989 2.953 ( 12.102 13.357 -3.768) 18.414 5.122 ( -3.879 -6.468 -4.326) 8.694 6.372 ( 2.204 4.163 1.979) 5.109 7.880 ( -0.574 -5.209 -3.618) 6.368 8.324 ( -0.713 -2.147 -3.676) 4.317 8.470 ( 11.694 23.959 -18.480) 32.439 12.237 ( -5.998 -16.409 9.716) 19.991 13.429 ( 4.262 14.229 -25.011) 29.089 ======================= Grid point 849 (285/417) ======================= q-point: ( 0.38 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 5.611 7.153 18.273) 20.410 1.807 ( 16.481 19.526 9.091) 27.120 2.720 ( 1.580 6.487 -5.403) 8.589 3.049 ( 22.822 29.646 8.230) 38.307 3.356 ( 20.733 16.579 -5.201) 27.052 5.013 ( -2.532 -1.762 -4.948) 5.831 6.481 ( 3.766 6.227 1.888) 7.518 7.655 ( -9.207 -10.817 -1.145) 14.251 8.246 ( -2.390 -4.296 -1.582) 5.164 8.829 ( 10.495 11.190 -15.200) 21.596 11.960 ( -10.431 -19.861 13.671) 26.271 13.472 ( -0.987 7.387 -25.592) 26.655 ======================= Grid point 850 (286/417) ======================= q-point: ( 0.44 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 7.884 6.961 10.207) 14.656 2.302 ( 15.674 19.188 7.554) 25.902 2.802 ( 2.117 8.069 -5.875) 10.203 3.617 ( 16.429 16.137 6.701) 23.984 3.932 ( 24.752 18.431 -9.935) 32.420 4.988 ( 1.416 2.990 -0.714) 3.385 6.625 ( 3.691 8.339 1.676) 9.272 7.430 ( -5.587 -6.937 -1.475) 9.029 8.172 ( -1.530 -2.103 -1.318) 2.915 8.904 ( -0.884 -2.056 -11.696) 11.908 11.571 ( -17.234 -22.680 13.311) 31.442 13.420 ( -1.416 4.339 -19.190) 19.725 ======================= Grid point 851 (287/417) ======================= q-point: ( 0.50 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 9.559 6.194 2.411) 11.642 2.730 ( 10.517 14.506 6.835) 19.177 2.922 ( 4.017 12.716 -6.355) 14.773 4.024 ( 13.851 10.824 6.131) 18.617 4.304 ( 9.044 5.770 -15.263) 18.656 5.179 ( 11.942 10.886 5.527) 17.078 6.762 ( 1.076 9.698 1.192) 9.830 7.339 ( 1.555 -3.213 -1.433) 3.847 8.163 ( 1.642 1.525 -0.898) 2.414 8.731 ( -8.007 -7.424 -9.685) 14.596 11.007 ( -26.293 -23.998 7.317) 36.342 13.415 ( 2.934 2.228 -8.966) 9.693 ======================= Grid point 852 (288/417) ======================= q-point: ( 0.56 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 9.474 4.203 -4.550) 11.319 2.928 ( 1.520 8.492 -0.425) 8.638 3.185 ( 7.286 17.722 0.146) 19.162 4.307 ( 4.394 2.488 -2.747) 5.749 4.372 ( 6.499 4.878 -4.113) 9.108 5.526 ( 12.157 9.778 4.567) 16.256 6.852 ( -2.571 10.774 0.537) 11.090 7.407 ( 9.097 -1.290 -1.708) 9.346 8.249 ( 4.473 5.080 -0.330) 6.777 8.485 ( -7.997 -6.765 -6.106) 12.125 10.292 ( -31.744 -22.511 1.380) 38.941 13.491 ( 6.245 -0.234 -1.272) 6.378 ======================= Grid point 853 (289/417) ======================= q-point: ( 0.62 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 7.296 1.145 -10.067) 12.486 3.009 ( -1.196 9.172 -2.904) 9.695 3.439 ( 2.664 15.415 1.862) 15.754 4.286 ( -0.376 0.186 -8.108) 8.119 4.565 ( 6.479 3.407 4.810) 8.759 5.778 ( 7.431 5.511 2.612) 9.613 6.897 ( -5.305 12.473 0.025) 13.555 7.574 ( 12.507 -2.955 -2.557) 13.104 8.333 ( -0.888 -2.258 -2.192) 3.270 8.392 ( 3.739 6.793 0.764) 7.791 9.551 ( -30.911 -18.320 -1.392) 35.959 13.595 ( 6.935 -2.417 2.416) 7.731 ======================= Grid point 854 (290/417) ======================= q-point: ( 0.69 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( 3.410 -2.098 -12.913) 13.519 3.046 ( -3.906 9.239 -4.077) 10.828 3.583 ( -2.781 12.856 2.256) 13.345 4.281 ( 1.875 1.476 -6.260) 6.699 4.671 ( 2.292 -0.188 5.087) 5.583 5.911 ( 3.309 1.964 1.681) 4.199 6.921 ( -6.918 13.735 -0.247) 15.381 7.725 ( 11.631 -6.776 -2.365) 13.667 8.373 ( 5.339 0.461 0.609) 5.394 8.527 ( 3.076 9.265 -0.659) 9.784 8.927 ( -23.323 -11.802 -0.854) 26.153 13.687 ( 6.250 -3.771 3.784) 8.222 ======================= Grid point 855 (291/417) ======================= q-point: (-0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( -1.029 -4.443 -12.608) 13.408 3.026 ( -6.840 8.052 -4.138) 11.347 3.612 ( -8.033 10.336 2.168) 13.268 4.329 ( 3.814 1.811 -7.016) 8.189 4.680 ( -1.129 -2.681 5.634) 6.341 5.935 ( -1.882 -1.541 2.217) 3.291 6.931 ( -7.423 13.257 -0.196) 15.195 7.789 ( 6.034 -12.550 -2.367) 14.125 8.437 ( -0.927 -0.457 1.037) 1.464 8.517 ( -9.769 4.575 -0.840) 10.820 8.795 ( 13.489 6.638 -1.170) 15.079 13.762 ( 5.830 -3.984 4.205) 8.218 ======================= Grid point 856 (292/417) ======================= q-point: (-0.19 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( -5.168 -5.583 -9.668) 12.302 2.940 ( -10.117 5.899 -3.363) 12.184 3.532 ( -12.198 7.464 1.790) 14.412 4.348 ( -0.880 -1.856 -6.929) 7.227 4.656 ( 0.320 -1.287 3.499) 3.742 5.819 ( -9.255 -5.597 3.951) 11.515 6.926 ( -7.309 10.998 0.241) 13.207 7.657 ( -3.301 -13.252 -2.137) 13.823 8.319 ( -6.360 -2.761 -0.547) 6.955 8.618 ( 7.204 9.424 -0.685) 11.881 9.183 ( 21.997 10.712 -2.339) 24.578 13.844 ( 6.531 -3.121 3.762) 8.158 ======================= Grid point 864 (293/417) ======================= q-point: ( 0.31 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -0.000 20.775 10.485) 23.271 1.665 ( -0.000 9.502 23.897) 25.717 2.586 ( 0.000 42.977 8.452) 43.800 2.727 ( 0.000 5.183 -4.564) 6.906 2.987 ( 0.000 17.851 -2.773) 18.065 5.076 ( 0.000 -5.130 -4.969) 7.142 6.406 ( -0.000 5.460 1.811) 5.752 7.815 ( -0.000 -9.255 -1.055) 9.315 8.299 ( 0.000 -5.634 -1.365) 5.796 8.553 ( 0.000 25.985 -19.337) 32.391 12.125 ( -0.000 -22.588 10.642) 24.969 13.472 ( 0.000 15.733 -24.590) 29.192 ======================= Grid point 865 (294/417) ======================= q-point: ( 0.38 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 11.953 20.460 8.645) 25.223 1.834 ( 2.112 7.484 19.689) 21.169 2.764 ( 0.119 7.780 -5.337) 9.435 3.132 ( 11.055 40.107 4.384) 41.833 3.244 ( 9.770 18.066 -2.828) 20.733 5.015 ( -1.235 -0.981 -4.926) 5.172 6.498 ( 2.958 7.268 1.794) 8.049 7.660 ( -5.012 -12.069 -0.567) 13.080 8.222 ( -1.394 -5.283 -1.480) 5.661 8.763 ( 5.753 13.358 -14.631) 20.630 11.890 ( -3.684 -26.598 13.090) 29.873 13.514 ( -2.101 11.775 -24.266) 27.054 ======================= Grid point 866 (295/417) ======================= q-point: ( 0.44 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 3.648 6.297 12.417) 14.392 2.264 ( 15.657 20.242 7.965) 26.802 2.849 ( 1.566 10.721 -6.011) 12.391 3.581 ( 10.994 16.992 4.869) 20.816 3.743 ( 17.728 28.082 -7.555) 34.058 5.005 ( 0.410 4.512 -1.928) 4.924 6.658 ( 4.758 10.340 2.125) 11.578 7.450 ( -6.233 -8.754 -1.176) 10.810 8.153 ( -0.561 -3.868 -1.634) 4.237 8.847 ( 1.206 -0.392 -11.155) 11.226 11.569 ( -7.821 -29.234 13.909) 33.305 13.470 ( -4.876 7.960 -20.367) 22.404 ======================= Grid point 867 (296/417) ======================= q-point: ( 0.50 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 5.798 5.431 5.398) 9.605 2.719 ( 12.369 16.093 7.112) 21.507 2.995 ( 3.113 17.064 -6.103) 18.388 3.941 ( 12.134 12.334 4.870) 17.974 4.163 ( 10.645 12.755 -12.306) 20.675 5.148 ( 7.080 12.429 3.454) 14.715 6.856 ( 3.195 13.581 2.388) 14.154 7.300 ( -2.375 -5.046 -1.015) 5.668 8.131 ( 1.958 -0.809 -2.004) 2.916 8.734 ( -4.933 -7.352 -9.445) 12.946 11.128 ( -15.374 -29.863 10.049) 35.059 13.403 ( -2.644 4.096 -12.471) 13.390 ======================= Grid point 868 (297/417) ======================= q-point: ( 0.56 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 6.825 3.850 -0.972) 7.896 2.989 ( 3.710 10.912 0.785) 11.552 3.280 ( 6.523 23.303 -0.202) 24.200 4.228 ( 7.932 4.297 -1.696) 9.179 4.317 ( 4.834 7.776 -5.470) 10.666 5.457 ( 10.525 12.747 4.568) 17.151 7.022 ( -0.645 13.979 1.971) 14.132 7.278 ( 3.218 -0.682 -0.364) 3.310 8.200 ( 5.724 2.981 -2.295) 6.850 8.519 ( -7.062 -7.753 -6.817) 12.508 10.537 ( -23.701 -27.130 3.805) 36.225 13.392 ( 2.600 -0.612 -4.362) 5.115 ======================= Grid point 869 (298/417) ======================= q-point: ( 0.62 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 6.079 1.775 -6.212) 8.871 3.124 ( -0.174 12.338 -2.495) 12.589 3.593 ( 3.024 21.636 2.795) 22.025 4.263 ( 0.470 0.879 -9.190) 9.243 4.512 ( 6.375 5.841 4.443) 9.721 5.724 ( 7.397 7.363 3.389) 10.973 7.136 ( -2.243 14.008 1.729) 14.292 7.365 ( 5.849 1.311 -0.613) 6.025 8.310 ( 0.493 -2.204 -4.938) 5.430 8.383 ( 2.923 3.175 -0.072) 4.316 9.858 ( -27.706 -21.482 -0.711) 35.066 13.440 ( 6.609 -4.810 0.565) 8.193 ======================= Grid point 870 (299/417) ======================= q-point: ( 0.69 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 3.660 -0.305 -9.474) 10.161 3.209 ( -3.377 13.203 -4.150) 14.246 3.809 ( -2.466 19.170 3.943) 19.726 4.255 ( 0.599 2.047 -7.387) 7.688 4.642 ( 2.984 1.467 4.327) 5.458 5.878 ( 4.102 2.699 2.385) 5.459 7.230 ( -5.983 17.606 1.829) 18.684 7.469 ( 7.398 -3.288 -1.214) 8.187 8.291 ( 3.914 -0.777 -0.472) 4.018 8.529 ( 5.230 5.960 -0.824) 7.972 9.220 ( -25.474 -13.676 -2.615) 29.031 13.513 ( 8.263 -7.400 2.553) 11.382 ======================= Grid point 871 (300/417) ======================= q-point: (-0.25 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 0.310 -1.851 -10.019) 10.194 3.234 ( -6.944 12.727 -4.930) 15.313 3.909 ( -8.117 16.961 3.809) 19.185 4.276 ( 1.733 2.611 -6.637) 7.339 4.676 ( 0.140 -2.334 4.188) 4.796 5.938 ( 0.944 -0.856 2.171) 2.518 7.275 ( -11.052 19.528 1.571) 22.494 7.532 ( 7.696 -10.078 -0.947) 12.715 8.411 ( 6.121 2.938 2.227) 7.146 8.663 ( 6.994 2.936 -1.709) 7.776 8.757 ( -16.855 -2.528 -3.554) 17.411 13.589 ( 8.605 -8.215 2.936) 12.254 ======================= Grid point 872 (301/417) ======================= q-point: (-0.19 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( -3.146 -2.467 -7.970) 8.916 3.187 ( -10.461 10.915 -4.598) 15.802 3.886 ( -14.230 14.505 2.573) 20.482 4.303 ( 1.408 0.529 -6.695) 6.862 4.649 ( -0.549 -3.493 3.749) 5.153 5.898 ( -4.200 -4.135 2.969) 6.599 7.254 ( -13.064 17.043 1.923) 21.560 7.504 ( 3.203 -13.749 -1.334) 14.180 8.414 ( -7.034 -0.541 -1.575) 7.228 8.631 ( 0.535 5.511 -0.230) 5.541 8.922 ( 18.297 7.515 -1.984) 19.880 13.668 ( 8.981 -7.567 2.260) 11.960 ======================= Grid point 881 (302/417) ======================= q-point: ( 0.38 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -0.000 21.122 7.607) 22.450 1.945 ( -0.000 5.470 17.147) 17.998 2.811 ( 0.000 6.785 -5.084) 8.478 3.341 ( 0.000 22.868 -5.934) 23.625 3.464 ( 0.000 37.662 4.709) 37.955 5.013 ( 0.000 2.346 -4.096) 4.720 6.544 ( 0.000 7.322 1.134) 7.409 7.589 ( -0.000 -10.567 -0.583) 10.583 8.180 ( -0.000 -5.241 -0.763) 5.296 8.777 ( 0.000 7.220 -12.563) 14.490 11.680 ( -0.000 -31.015 13.687) 33.901 13.577 ( 0.000 11.867 -22.396) 25.346 ======================= Grid point 882 (303/417) ======================= q-point: ( 0.44 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 1.120 4.606 11.800) 12.717 2.236 ( 11.736 19.100 7.147) 23.529 2.892 ( 2.856 9.355 -5.589) 11.265 3.588 ( 6.460 17.723 -1.618) 18.933 3.859 ( 4.612 31.249 -2.221) 31.665 5.053 ( 0.398 8.495 -1.663) 8.665 6.667 ( 5.327 8.546 1.066) 10.127 7.457 ( -4.283 -7.489 -1.226) 8.713 8.123 ( -0.935 -3.439 -0.626) 3.618 8.782 ( 1.025 -1.947 -10.051) 10.290 11.388 ( -2.492 -33.783 14.044) 36.671 13.576 ( -4.414 9.642 -19.280) 22.004 ======================= Grid point 883 (304/417) ======================= q-point: ( 0.50 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 2.908 3.829 6.367) 7.979 2.660 ( 14.258 14.328 6.471) 21.223 3.068 ( 6.097 16.004 -5.600) 18.019 3.870 ( 9.683 11.469 0.299) 15.013 4.167 ( 4.081 18.613 -6.333) 20.080 5.203 ( 3.629 15.521 1.618) 16.021 6.894 ( 8.544 11.752 1.544) 14.611 7.313 ( -4.711 -4.184 -1.177) 6.410 8.090 ( 0.307 -1.006 -1.091) 1.516 8.693 ( -2.248 -7.450 -8.515) 11.535 11.025 ( -6.293 -34.856 12.033) 37.408 13.497 ( -6.954 6.361 -14.136) 16.990 ======================= Grid point 884 (305/417) ======================= q-point: ( 0.56 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 4.379 2.947 1.590) 5.512 2.990 ( 9.105 9.812 2.552) 13.627 3.379 ( 8.784 22.516 -1.664) 24.226 4.113 ( 9.082 4.283 -2.641) 10.382 4.339 ( 2.393 11.894 -3.233) 12.555 5.461 ( 6.548 15.489 2.867) 17.059 7.112 ( 0.967 6.188 -0.213) 6.267 7.282 ( 3.775 7.670 2.133) 8.811 8.119 ( 3.948 1.350 -2.390) 4.809 8.525 ( -5.001 -7.552 -6.730) 11.284 10.568 ( -12.449 -32.774 7.340) 35.819 13.394 ( -4.930 1.810 -7.770) 9.378 ======================= Grid point 885 (306/417) ======================= q-point: ( 0.62 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 4.581 1.955 -2.393) 5.525 3.206 ( 4.469 11.381 -0.945) 12.263 3.735 ( 6.589 20.980 2.863) 22.176 4.219 ( 3.116 1.859 -8.298) 9.056 4.505 ( 4.593 9.049 2.963) 10.572 5.701 ( 5.684 9.081 2.734) 11.057 7.128 ( 2.349 -1.198 -0.779) 2.749 7.499 ( 0.724 18.926 4.156) 19.390 8.226 ( 6.251 1.345 -4.702) 7.937 8.374 ( -2.342 -2.776 -2.923) 4.662 10.025 ( -18.575 -26.776 2.201) 32.662 13.328 ( 0.214 -3.367 -2.394) 4.137 ======================= Grid point 886 (307/417) ======================= q-point: ( 0.69 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 3.312 1.039 -5.285) 6.323 3.362 ( 0.270 13.577 -2.976) 13.902 4.005 ( 2.238 14.793 6.316) 16.240 4.247 ( 1.082 4.393 -8.542) 9.666 4.654 ( 1.819 7.138 2.657) 7.831 5.842 ( 3.693 2.181 2.543) 4.986 7.185 ( 6.708 -3.386 -0.414) 7.526 7.670 ( -5.845 21.615 3.883) 22.725 8.229 ( 1.138 -1.978 -2.124) 3.117 8.462 ( 7.575 3.793 -2.146) 8.739 9.464 ( -21.038 -17.599 -1.530) 27.472 13.319 ( 5.223 -7.472 0.629) 9.138 ======================= Grid point 887 (308/417) ======================= q-point: ( 0.75 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 0.989 0.472 -6.434) 6.527 3.454 ( -4.386 14.526 -4.399) 15.799 4.129 ( -0.820 6.064 3.344) 6.973 4.308 ( 0.188 8.718 -2.312) 9.022 4.710 ( -3.471 5.873 0.506) 6.841 5.899 ( 2.603 -2.730 2.567) 4.562 7.263 ( 7.620 -6.383 -0.506) 9.953 7.729 ( -11.937 18.745 3.065) 22.434 8.320 ( 8.803 3.987 2.496) 9.981 8.581 ( 4.237 0.109 -2.371) 4.856 9.000 ( -17.765 -6.054 -4.420) 19.282 13.357 ( 8.363 -9.403 1.533) 12.677 ======================= Grid point 888 (309/417) ======================= q-point: (-0.19 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -1.723 0.560 -5.488) 5.780 3.461 ( -9.253 13.477 -4.953) 17.082 4.152 ( -1.800 2.676 -1.103) 3.408 4.366 ( -4.536 8.853 3.172) 10.441 4.666 ( -5.574 2.512 -1.158) 6.222 5.895 ( 0.411 -5.367 2.817) 6.075 7.294 ( 5.182 -9.221 -1.012) 10.626 7.673 ( -14.070 13.645 3.737) 19.953 8.516 ( -2.439 3.702 0.613) 4.475 8.637 ( 9.404 0.635 3.033) 9.902 8.769 ( -2.451 4.474 -8.023) 9.508 13.425 ( 9.881 -9.199 0.914) 13.531 ======================= Grid point 898 (310/417) ======================= q-point: ( 0.44 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -0.000 2.853 9.090) 9.527 2.334 ( -0.000 17.572 6.150) 18.618 2.927 ( 0.000 8.850 -5.429) 10.382 3.706 ( 0.000 16.861 -1.549) 16.932 4.095 ( 0.000 24.614 -3.607) 24.877 5.156 ( 0.000 14.497 -0.512) 14.506 6.685 ( 0.000 6.045 0.002) 6.045 7.432 ( 0.000 -4.384 -1.614) 4.672 8.110 ( -0.000 -1.077 0.195) 1.094 8.706 ( 0.000 -5.659 -8.302) 10.047 11.109 ( -0.000 -36.503 13.693) 38.987 13.650 ( 0.000 9.196 -16.762) 19.119 ======================= Grid point 899 (311/417) ======================= q-point: ( 0.50 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 1.231 1.941 5.668) 6.116 2.599 ( 9.818 12.956 5.541) 17.174 3.066 ( 7.115 12.497 -5.184) 15.286 3.875 ( 3.321 11.560 -0.509) 12.039 4.291 ( 0.753 16.881 -4.628) 17.520 5.332 ( 1.477 18.436 0.307) 18.498 6.819 ( 9.344 6.009 -0.210) 11.111 7.361 ( -4.264 -1.185 -1.739) 4.755 8.104 ( -1.125 1.986 0.554) 2.349 8.611 ( -0.376 -8.037 -6.826) 10.551 10.773 ( -1.903 -37.705 12.203) 39.676 13.633 ( -5.622 7.321 -13.288) 16.179 ======================= Grid point 900 (312/417) ======================= q-point: ( 0.56 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 2.761 1.566 2.943) 4.328 2.904 ( 11.609 7.964 3.449) 14.494 3.383 ( 13.379 18.034 -3.184) 22.679 4.026 ( 5.003 4.928 -0.601) 7.048 4.427 ( 0.473 12.355 -3.125) 12.752 5.548 ( 2.964 16.588 0.460) 16.857 7.098 ( 12.378 8.078 -0.924) 14.810 7.280 ( -2.028 1.377 -0.253) 2.465 8.119 ( -0.919 4.256 0.484) 4.381 8.494 ( -2.146 -6.637 -5.799) 9.072 10.391 ( -4.544 -36.720 9.261) 38.141 13.524 ( -9.061 4.396 -9.140) 13.600 ======================= Grid point 901 (313/417) ======================= q-point: ( 0.62 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 3.566 1.456 0.780) 3.930 3.173 ( 10.351 7.847 1.120) 13.037 3.788 ( 11.597 18.934 0.420) 22.207 4.136 ( 5.474 1.524 -3.792) 6.831 4.544 ( 2.026 9.005 0.361) 9.237 5.735 ( 2.581 10.633 0.593) 10.958 7.140 ( -4.049 1.609 -1.484) 4.603 7.542 ( 15.409 12.059 2.054) 19.675 8.162 ( 1.380 4.033 -1.153) 4.416 8.386 ( -3.130 -1.884 -3.956) 5.385 9.969 ( -8.057 -32.339 5.475) 33.774 13.373 ( -8.242 0.549 -4.934) 9.622 ======================= Grid point 902 (314/417) ======================= q-point: ( 0.69 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 3.121 1.432 -1.144) 3.619 3.413 ( 7.334 10.089 -0.625) 12.489 4.075 ( 3.903 8.024 6.570) 11.081 4.237 ( 4.214 7.687 -9.100) 12.635 4.693 ( 5.231 8.585 2.081) 10.267 5.832 ( 0.547 3.012 0.936) 3.202 7.107 ( -0.142 0.106 -0.574) 0.601 7.885 ( 6.847 15.595 3.897) 17.472 8.205 ( 0.001 0.545 -3.381) 3.425 8.373 ( 3.530 3.762 -2.131) 5.582 9.540 ( -11.101 -23.681 1.831) 26.218 13.243 ( -3.615 -3.529 -1.583) 5.294 ======================= Grid point 903 (315/417) ======================= q-point: ( 0.75 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 1.688 1.602 -2.500) 3.415 3.603 ( 2.260 12.556 -2.277) 12.959 4.159 ( 0.831 1.205 1.684) 2.231 4.334 ( 1.906 3.526 -0.331) 4.022 4.877 ( 0.738 15.403 -0.575) 15.431 5.829 ( 0.510 -5.131 1.665) 5.418 7.126 ( 3.073 -1.934 -0.264) 3.641 8.065 ( -7.135 13.428 2.019) 15.340 8.222 ( 7.006 1.757 2.209) 7.553 8.499 ( 5.482 2.775 -3.139) 6.900 9.171 ( -11.890 -10.773 -1.587) 16.123 13.180 ( 2.307 -6.392 0.183) 6.798 ======================= Grid point 904 (316/417) ======================= q-point: (-0.19 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( -0.211 2.258 -2.697) 3.524 3.705 ( -4.578 13.588 -3.925) 14.866 4.159 ( -1.156 0.069 -2.947) 3.167 4.386 ( 4.086 -4.510 6.965) 9.250 4.957 ( -11.305 18.412 -3.000) 21.813 5.792 ( 3.737 -9.975 2.626) 10.970 7.152 ( 3.256 -3.948 -0.499) 5.141 7.994 ( -10.791 6.496 2.757) 12.894 8.441 ( 11.828 -0.526 0.937) 11.877 8.561 ( 1.425 3.922 0.756) 4.241 8.932 ( -10.431 2.522 -4.701) 11.716 13.195 ( 6.931 -6.902 0.160) 9.783 ======================= Grid point 915 (317/417) ======================= q-point: ( 0.50 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -0.000 0.710 4.636) 4.690 2.645 ( -0.000 10.208 4.607) 11.200 3.095 ( 0.000 11.844 -4.543) 12.686 3.951 ( 0.000 8.545 0.154) 8.547 4.423 ( 0.000 14.003 -4.059) 14.580 5.500 ( 0.000 17.895 -0.961) 17.920 6.762 ( 0.000 2.101 -0.805) 2.250 7.404 ( 0.000 2.745 -1.750) 3.256 8.153 ( 0.000 4.937 0.817) 5.004 8.515 ( 0.000 -7.779 -4.809) 9.145 10.453 ( -0.000 -38.631 10.913) 40.143 13.713 ( 0.000 6.829 -11.127) 13.055 ======================= Grid point 916 (318/417) ======================= q-point: ( 0.56 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 1.452 0.514 4.178) 4.453 2.812 ( 7.874 6.395 3.382) 10.693 3.300 ( 11.235 13.438 -3.352) 17.834 4.028 ( 1.145 4.599 1.002) 4.844 4.533 ( -0.283 11.462 -3.229) 11.912 5.665 ( 1.288 14.201 -1.668) 14.356 6.892 ( 13.464 2.183 -0.986) 13.675 7.390 ( -5.550 5.035 -1.124) 7.578 8.202 ( -1.421 6.434 1.262) 6.709 8.436 ( 0.100 -4.871 -3.944) 6.268 10.100 ( -1.252 -37.745 8.754) 38.767 13.684 ( -6.586 5.369 -8.505) 12.022 ======================= Grid point 917 (319/417) ======================= q-point: ( 0.62 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 2.660 0.902 3.873) 4.784 3.045 ( 11.752 4.971 2.323) 12.970 3.687 ( 18.232 14.234 -2.390) 23.253 4.085 ( 1.598 1.661 1.343) 2.668 4.613 ( -0.500 8.114 -1.894) 8.347 5.802 ( 1.596 9.545 -1.511) 9.795 7.210 ( 12.665 5.466 -2.791) 14.074 7.343 ( 1.799 4.129 0.941) 4.601 8.225 ( -2.490 4.182 0.942) 4.957 8.410 ( -0.388 2.387 -2.735) 3.651 9.739 ( -2.307 -34.664 6.385) 35.323 13.549 ( -11.048 3.329 -5.742) 12.888 ======================= Grid point 918 (320/417) ======================= q-point: ( 0.69 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 2.882 1.265 2.902) 4.281 3.314 ( 12.762 5.643 1.737) 14.062 4.097 ( 6.147 8.318 5.011) 11.493 4.149 ( 11.046 5.881 -6.758) 14.222 4.677 ( 2.519 4.108 0.456) 4.841 5.880 ( -0.758 4.673 -1.107) 4.861 7.188 ( -7.061 3.797 -0.734) 8.051 7.721 ( 22.800 5.761 -0.769) 23.529 8.225 ( -1.263 3.809 -1.650) 4.339 8.433 ( -2.165 6.776 0.123) 7.114 9.402 ( -2.667 -28.403 4.427) 28.870 13.359 ( -11.424 0.968 -3.067) 11.868 ======================= Grid point 919 (321/417) ======================= q-point: ( 0.75 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 2.263 1.581 1.359) 3.076 3.585 ( 10.840 7.279 1.140) 13.107 4.149 ( 1.345 -0.091 3.024) 3.311 4.361 ( 0.319 6.178 -5.099) 8.017 4.866 ( 13.609 7.215 1.762) 15.504 5.842 ( -5.434 -1.462 -0.880) 5.696 7.124 ( -3.172 1.555 0.012) 3.532 8.073 ( 13.250 0.576 0.344) 13.267 8.253 ( -2.302 8.467 -3.375) 9.401 8.478 ( 0.717 6.040 0.810) 6.136 9.149 ( -1.620 -17.121 2.703) 17.408 13.186 ( -7.447 -1.108 -0.926) 7.585 ======================= Grid point 920 (322/417) ======================= q-point: ( 0.81 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 1.317 2.280 -0.000) 2.633 3.812 ( 5.374 9.307 -0.000) 10.747 4.183 ( 0.778 1.348 0.000) 1.557 4.308 ( -3.039 -5.264 -0.000) 6.079 5.191 ( 8.489 14.704 -0.000) 16.978 5.671 ( -6.259 -10.840 -0.000) 12.517 7.106 ( -0.114 -0.198 -0.000) 0.229 8.173 ( -0.835 -1.446 -0.000) 1.670 8.282 ( 1.644 2.847 0.000) 3.288 8.567 ( 2.335 4.044 -0.000) 4.669 9.039 ( -1.410 -2.441 -0.000) 2.819 13.097 ( -0.984 -1.705 -0.000) 1.969 ======================= Grid point 933 (323/417) ======================= q-point: ( 0.56 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( -0.000 0.414 6.113) 6.127 2.807 ( -0.000 4.510 2.809) 5.313 3.304 ( 0.000 11.094 -2.691) 11.416 4.064 ( -0.000 3.086 2.062) 3.711 4.631 ( 0.000 9.807 -3.154) 10.301 5.766 ( 0.000 10.308 -2.577) 10.626 6.770 ( 0.000 -0.293 -0.514) 0.592 7.509 ( 0.000 8.225 -0.393) 8.234 8.286 ( 0.000 7.351 0.462) 7.366 8.382 ( 0.000 -2.699 -2.408) 3.617 9.772 ( -0.000 -36.372 6.886) 37.018 13.768 ( 0.000 4.990 -7.072) 8.655 ======================= Grid point 934 (324/417) ======================= q-point: ( 0.62 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 1.268 0.926 7.695) 7.853 2.920 ( 7.804 3.091 2.499) 8.758 3.511 ( 13.110 9.491 -2.252) 16.341 4.099 ( 0.285 1.941 2.985) 3.571 4.696 ( -1.054 7.059 -2.956) 7.725 5.852 ( 1.139 7.025 -2.220) 7.455 6.910 ( 16.335 0.678 -0.661) 16.363 7.523 ( -7.756 8.055 0.350) 11.187 8.310 ( -2.919 3.352 -0.171) 4.448 8.417 ( 3.041 4.840 -1.268) 5.855 9.446 ( -0.527 -33.156 4.906) 33.521 13.729 ( -7.198 4.014 -5.424) 9.866 ======================= Grid point 935 (325/417) ======================= q-point: ( 0.69 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 1.877 1.112 7.382) 7.697 3.137 ( 12.965 2.719 2.837) 13.548 3.886 ( 20.900 7.739 -3.236) 22.520 4.132 ( 0.304 1.671 4.207) 4.537 4.711 ( -1.927 3.324 -2.356) 4.507 5.920 ( 0.646 4.247 -1.736) 4.633 7.277 ( 19.838 3.137 -2.663) 20.260 7.441 ( -5.099 4.639 1.518) 7.059 8.301 ( -2.414 5.562 -1.229) 6.187 8.513 ( 1.114 6.341 0.506) 6.458 9.152 ( 0.053 -28.161 3.932) 28.434 13.579 ( -12.208 2.971 -3.628) 13.078 ======================= Grid point 936 (326/417) ======================= q-point: ( 0.75 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 1.975 0.883 5.333) 5.755 3.415 ( 14.970 2.811 3.413) 15.609 4.140 ( 1.610 0.299 1.150) 2.001 4.310 ( 14.496 7.342 -2.702) 16.472 4.710 ( 3.804 -0.822 0.463) 3.919 5.922 ( -3.483 1.045 -1.987) 4.144 7.259 ( -9.484 3.071 0.282) 9.973 7.758 ( 22.551 -0.719 -2.549) 22.706 8.350 ( 0.139 11.308 -3.511) 11.842 8.557 ( -2.646 3.576 2.231) 4.977 8.953 ( 3.376 -19.681 4.872) 20.554 13.374 ( -13.174 2.267 -1.742) 13.481 ======================= Grid point 951 (327/417) ======================= q-point: ( 0.62 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( -0.000 1.328 11.329) 11.406 2.881 ( -0.000 1.707 2.247) 2.822 3.464 ( 0.000 6.410 -1.773) 6.651 4.127 ( -0.000 1.914 3.898) 4.343 4.755 ( 0.000 4.974 -3.430) 6.042 5.895 ( 0.000 5.147 -1.557) 5.378 6.762 ( -0.000 -0.178 0.388) 0.427 7.687 ( 0.000 8.871 1.414) 8.983 8.384 ( 0.000 4.007 -1.385) 4.240 8.411 ( 0.000 4.700 -0.379) 4.716 9.158 ( -0.000 -28.788 2.565) 28.902 13.812 ( 0.000 3.611 -4.746) 5.963 ======================= Grid point 952 (328/417) ======================= q-point: ( 0.69 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 0.217 1.000 12.001) 12.044 2.976 ( 8.519 0.843 2.772) 8.998 3.628 ( 13.624 3.778 -1.942) 14.271 4.163 ( 0.081 2.213 4.870) 5.350 4.764 ( -1.761 2.138 -3.667) 4.596 5.939 ( 0.599 3.291 -1.061) 3.509 6.919 ( 17.392 0.545 -0.014) 17.400 7.679 ( -10.222 6.339 1.931) 12.182 8.393 ( -2.008 5.894 -1.273) 6.355 8.514 ( 4.972 4.112 0.532) 6.474 8.909 ( -0.357 -22.139 0.864) 22.159 13.767 ( -7.276 3.099 -3.827) 8.786 ======================= Grid point 954 (329/417) ======================= q-point: (-0.25 -0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 0.441 -0.224 9.338) 9.351 3.189 ( 14.139 0.131 4.013) 14.698 3.946 ( 20.064 0.973 -3.334) 20.362 4.211 ( 1.443 2.661 6.057) 6.771 4.714 ( -3.140 -0.874 -3.390) 4.702 5.957 ( -0.741 0.556 -1.652) 1.894 7.293 ( 23.190 0.053 -1.978) 23.274 7.519 ( -11.497 1.612 1.573) 11.715 8.434 ( 0.246 6.964 -2.305) 7.340 8.638 ( 1.606 6.472 3.201) 7.397 8.732 ( 1.379 -14.923 1.360) 15.048 13.617 ( -12.173 3.056 -2.541) 12.805 ======================= Grid point 970 (330/417) ======================= q-point: (-0.31 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -0.000 0.146 14.675) 14.675 2.908 ( -0.000 -0.588 2.260) 2.335 3.524 ( 0.000 0.828 -1.499) 1.712 4.206 ( -0.000 3.019 5.905) 6.632 4.777 ( 0.000 -0.025 -4.335) 4.335 5.957 ( 0.000 1.525 -0.631) 1.651 6.773 ( -0.000 0.708 1.067) 1.281 7.850 ( -0.000 4.852 3.995) 6.285 8.448 ( 0.000 -0.613 -0.986) 1.161 8.466 ( -0.000 0.472 0.178) 0.504 8.772 ( 0.000 -5.064 -2.000) 5.445 13.846 ( 0.000 2.799 -3.816) 4.732 ======================= Grid point 971 (331/417) ======================= q-point: (-0.25 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( -1.307 -1.962 12.562) 12.781 2.988 ( 9.426 -1.792 3.327) 10.155 3.632 ( 13.420 -1.943 -1.804) 13.679 4.258 ( -0.248 3.353 6.993) 7.760 4.733 ( -2.019 -2.121 -4.723) 5.557 5.954 ( -0.149 -1.699 -1.497) 2.269 6.929 ( 16.202 0.293 0.201) 16.206 7.759 ( -12.542 -1.315 3.400) 13.061 8.443 ( 0.214 -3.782 -0.192) 3.793 8.510 ( 7.637 -1.969 0.540) 7.905 8.795 ( -1.976 12.947 -1.027) 13.138 13.801 ( -6.835 2.940 -3.371) 8.169 ======================= Grid point 988 (332/417) ======================= q-point: (-0.25 -0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( -0.000 -4.585 13.426) 14.187 2.884 ( -0.000 -3.663 2.227) 4.286 3.479 ( 0.000 -4.277 -1.482) 4.527 4.320 ( -0.000 2.919 8.095) 8.605 4.706 ( 0.000 -3.083 -5.206) 6.050 5.913 ( 0.000 -5.828 -2.487) 6.336 6.798 ( -0.000 0.981 0.995) 1.397 7.845 ( -0.000 -9.366 4.625) 10.445 8.379 ( -0.000 -5.434 -0.926) 5.512 8.466 ( 0.000 7.005 -0.358) 7.014 8.974 ( 0.000 20.108 0.220) 20.109 13.876 ( 0.000 3.107 -3.920) 5.002 ======================= Grid point 1109 (333/417) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -0.000 -0.000 18.649) 18.649 0.881 ( -0.000 -0.000 18.649) 18.649 1.735 ( -0.000 -0.000 38.283) 38.283 2.615 ( 0.000 0.000 -4.593) 4.593 2.615 ( 0.000 0.000 -4.593) 4.593 5.833 ( 0.000 0.000 -15.873) 15.873 6.296 ( -0.000 -0.000 2.118) 2.118 6.296 ( -0.000 -0.000 2.118) 2.118 8.432 ( 0.000 0.000 -1.613) 1.613 8.432 ( 0.000 0.000 -1.613) 1.613 12.503 ( -0.000 -0.000 4.575) 4.575 13.012 ( 0.000 0.000 -2.467) 2.467 ======================= Grid point 1110 (334/417) ======================= q-point: ( 0.31 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 13.429 7.753 14.986) 21.565 1.304 ( 22.889 13.215 16.892) 31.367 1.962 ( 12.110 6.992 28.513) 31.757 2.600 ( 1.028 0.593 -4.819) 4.963 2.745 ( 11.491 6.635 -3.962) 13.848 5.283 ( -15.919 -9.191 -4.137) 18.841 6.328 ( 2.112 1.219 2.038) 3.178 7.405 ( 54.659 31.557 -20.311) 66.302 8.285 ( -9.589 -5.536 -3.267) 11.544 8.398 ( -2.564 -1.481 -1.583) 3.358 12.457 ( -6.383 -3.685 6.837) 10.054 13.143 ( 10.500 6.062 -13.837) 18.397 ======================= Grid point 1111 (335/417) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 19.001 10.970 10.530) 24.337 1.709 ( 7.893 4.557 21.617) 23.460 2.568 ( 33.171 19.151 9.737) 39.520 2.627 ( 2.728 1.575 -4.847) 5.780 3.080 ( 18.699 10.796 -3.086) 21.811 5.049 ( -5.536 -3.196 -5.584) 8.488 6.405 ( 4.087 2.360 1.811) 5.055 7.837 ( -11.186 -6.458 -0.735) 12.937 8.314 ( -4.221 -2.437 -1.474) 5.092 8.466 ( 27.871 16.091 -18.950) 37.347 12.270 ( -12.638 -7.297 12.008) 18.899 13.272 ( 5.825 3.363 -23.880) 24.809 ======================= Grid point 1112 (336/417) ======================= q-point: ( 0.44 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 6.534 3.772 14.907) 16.708 2.013 ( 20.421 11.790 7.586) 24.771 2.687 ( 3.887 2.244 -4.846) 6.605 3.318 ( 27.281 15.751 6.242) 32.114 3.567 ( 26.230 15.144 -6.583) 30.995 4.961 ( -0.748 -0.432 -3.585) 3.687 6.520 ( 5.415 3.126 1.491) 6.428 7.559 ( -10.682 -6.167 -0.950) 12.371 8.214 ( -3.831 -2.212 -1.276) 4.604 8.830 ( 8.360 4.827 -13.031) 16.217 11.955 ( -19.837 -11.453 13.480) 26.578 13.281 ( 3.225 1.862 -21.703) 22.021 ======================= Grid point 1113 (337/417) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 8.294 4.788 6.215) 11.417 2.484 ( 18.795 10.851 6.319) 22.604 2.766 ( 4.604 2.658 -5.325) 7.525 3.831 ( 18.259 10.542 5.961) 21.911 4.092 ( 18.538 10.703 -13.087) 25.090 5.037 ( 8.999 5.196 3.074) 10.836 6.645 ( 4.907 2.833 1.025) 5.758 7.388 ( -3.761 -2.171 -1.091) 4.477 8.153 ( -0.831 -0.480 -0.901) 1.317 8.804 ( -5.561 -3.211 -10.277) 12.118 11.438 ( -29.164 -16.838 7.371) 34.473 13.322 ( 5.606 3.237 -10.651) 12.464 ======================= Grid point 1114 (338/417) ======================= q-point: ( 0.56 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 8.749 5.051 -2.016) 10.302 2.821 ( 5.186 2.994 1.749) 6.238 2.921 ( 14.449 8.342 -1.731) 16.774 4.211 ( 13.334 7.698 6.305) 16.637 4.272 ( 4.168 2.406 -14.282) 15.071 5.357 ( 15.266 8.814 5.319) 18.413 6.734 ( 2.619 1.512 0.324) 3.041 7.390 ( 4.125 2.382 -1.288) 4.934 8.180 ( 3.410 1.969 -0.273) 3.947 8.586 ( -9.534 -5.505 -7.284) 13.201 10.718 ( -34.812 -20.099 0.786) 40.205 13.448 ( 6.742 3.892 -1.297) 7.892 ======================= Grid point 1115 (339/417) ======================= q-point: ( 0.62 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 7.256 4.189 -9.316) 12.529 2.896 ( 2.709 1.564 -2.235) 3.844 3.226 ( 11.196 6.464 1.738) 13.044 4.257 ( 0.047 0.027 -9.432) 9.432 4.494 ( 9.255 5.343 5.069) 11.828 5.671 ( 10.650 6.149 3.428) 12.766 6.769 ( 0.756 0.437 -0.436) 0.976 7.543 ( 9.048 5.224 -2.304) 10.699 8.287 ( 5.410 3.124 0.419) 6.261 8.388 ( -5.320 -3.072 -2.746) 6.729 9.923 ( -34.366 -19.841 -2.174) 39.742 13.595 ( 5.714 3.299 3.022) 7.257 ======================= Grid point 1116 (340/417) ======================= q-point: ( 0.69 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 3.994 2.306 -14.483) 15.199 2.933 ( 1.262 0.729 -2.609) 2.988 3.426 ( 5.951 3.436 1.862) 7.119 4.239 ( 1.150 0.664 -6.677) 6.808 4.665 ( 4.354 2.514 5.133) 7.185 5.862 ( 5.788 3.342 1.731) 6.904 6.776 ( 0.355 0.205 -0.970) 1.053 7.738 ( 8.474 4.892 -3.385) 10.354 8.364 ( 3.592 2.074 0.525) 4.181 8.398 ( 3.613 2.086 0.903) 4.269 9.201 ( -28.045 -16.192 -1.652) 32.426 13.717 ( 3.920 2.263 4.299) 6.242 ======================= Grid point 1117 (341/417) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( -0.140 -0.081 -15.880) 15.881 2.932 ( -0.601 -0.347 -2.579) 2.671 3.508 ( 0.825 0.476 1.756) 1.998 4.269 ( 3.234 1.867 -6.415) 7.423 4.728 ( -0.188 -0.108 5.317) 5.322 5.947 ( 1.175 0.678 1.273) 1.861 6.784 ( 0.671 0.387 -1.164) 1.398 7.890 ( 5.229 3.019 -3.849) 7.160 8.438 ( -0.582 -0.336 1.078) 1.270 8.473 ( 0.356 0.206 -1.119) 1.193 8.752 ( -5.212 -3.009 1.865) 6.301 13.804 ( 2.650 1.530 4.411) 5.368 ======================= Grid point 1126 (342/417) ======================= q-point: ( 0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -0.000 13.091 14.418) 19.474 1.389 ( -0.000 28.337 16.747) 32.916 2.060 ( -0.000 11.692 26.239) 28.727 2.627 ( 0.000 3.325 -4.860) 5.889 2.687 ( 0.000 11.042 -3.297) 11.524 5.267 ( 0.000 -18.214 -5.119) 18.920 6.334 ( -0.000 2.534 2.006) 3.232 7.327 ( 0.000 59.737 -16.841) 62.065 8.298 ( 0.000 -9.052 -3.745) 9.796 8.385 ( 0.000 -3.424 -1.494) 3.736 12.467 ( -0.000 -8.795 6.937) 11.201 13.112 ( 0.000 11.732 -12.494) 17.139 ======================= Grid point 1127 (343/417) ======================= q-point: ( 0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 12.603 16.391 11.039) 23.438 1.744 ( 4.941 12.477 21.861) 25.651 2.416 ( 14.518 26.718 8.376) 31.540 2.638 ( 0.007 6.397 -3.800) 7.440 2.924 ( 11.911 13.766 -1.351) 18.253 5.071 ( -4.222 -6.812 -5.766) 9.872 6.392 ( 2.191 4.125 1.863) 5.028 7.848 ( 4.066 2.489 -2.558) 5.410 8.241 ( 5.948 13.820 -12.977) 19.869 8.351 ( 1.808 3.254 -4.950) 6.194 12.340 ( -4.624 -14.607 10.732) 18.706 13.202 ( 2.030 10.625 -20.448) 23.133 ======================= Grid point 1128 (344/417) ======================= q-point: ( 0.44 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 15.221 17.788 8.295) 24.837 1.941 ( 3.124 5.718 17.823) 18.977 2.666 ( 1.749 6.042 -5.081) 8.086 3.109 ( 23.609 29.641 2.449) 37.973 3.315 ( 18.333 14.602 -1.926) 23.516 4.964 ( -1.763 -0.939 -4.678) 5.086 6.500 ( 3.655 6.354 1.760) 7.538 7.647 ( -9.586 -11.130 -0.307) 14.692 8.230 ( -2.151 -4.298 -1.625) 5.073 8.685 ( 11.943 13.338 -13.219) 22.254 12.098 ( -9.826 -19.389 13.606) 25.643 13.229 ( -0.244 8.158 -22.346) 23.790 ======================= Grid point 1129 (345/417) ======================= q-point: ( 0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 4.540 4.436 9.653) 11.553 2.375 ( 15.143 19.600 6.596) 25.632 2.746 ( 2.054 7.224 -4.954) 8.998 3.680 ( 16.202 16.178 5.315) 23.505 3.828 ( 22.453 16.337 -10.125) 29.556 4.985 ( 4.144 5.082 0.215) 6.561 6.642 ( 3.375 8.641 1.665) 9.425 7.419 ( -5.703 -7.052 -0.677) 9.095 8.158 ( -1.270 -2.292 -1.457) 2.999 8.793 ( -0.410 -1.262 -9.968) 10.056 11.686 ( -19.481 -23.270 9.267) 31.731 13.251 ( 2.613 6.387 -13.779) 15.411 ======================= Grid point 1130 (346/417) ======================= q-point: ( 0.56 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 6.225 4.323 1.652) 7.757 2.799 ( 8.186 11.757 6.607) 15.776 2.858 ( 5.876 15.363 -5.965) 17.496 4.084 ( 14.003 11.075 5.296) 18.622 4.158 ( 8.521 5.538 -13.120) 16.596 5.231 ( 12.874 11.224 4.718) 17.719 6.775 ( 0.490 10.101 1.392) 10.208 7.329 ( 1.382 -3.236 -0.668) 3.582 8.152 ( 2.160 1.215 -1.237) 2.770 8.643 ( -7.191 -6.704 -7.631) 12.446 11.054 ( -29.038 -24.333 1.903) 37.933 13.353 ( 6.701 3.242 -3.278) 8.134 ======================= Grid point 1131 (347/417) ======================= q-point: ( 0.62 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 6.335 3.189 -5.565) 9.015 2.914 ( 0.527 7.979 -2.335) 8.331 3.198 ( 7.845 18.218 2.312) 19.970 4.216 ( 1.539 1.048 -10.432) 10.597 4.401 ( 10.644 7.174 5.100) 13.812 5.570 ( 11.462 9.245 4.148) 15.299 6.859 ( -3.316 11.328 0.882) 11.836 7.393 ( 8.562 -1.342 -1.185) 8.747 8.243 ( 5.066 4.426 -0.955) 6.794 8.434 ( -6.288 -5.572 -3.823) 9.230 10.287 ( -33.083 -22.460 -2.356) 40.056 13.496 ( 8.147 -0.191 2.370) 8.487 ======================= Grid point 1132 (348/417) ======================= q-point: ( 0.69 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 4.799 1.345 -11.073) 12.143 2.979 ( -1.445 8.563 -3.111) 9.225 3.461 ( 2.493 15.834 2.438) 16.213 4.208 ( 0.705 0.725 -7.341) 7.410 4.614 ( 6.582 3.268 4.868) 8.814 5.804 ( 6.689 5.220 2.535) 8.855 6.899 ( -6.065 13.207 0.316) 14.537 7.550 ( 11.859 -2.677 -2.105) 12.338 8.317 ( 1.249 -1.720 -1.126) 2.405 8.400 ( 3.618 6.233 0.703) 7.241 9.528 ( -30.754 -18.172 -3.053) 35.852 13.628 ( 7.626 -2.755 4.114) 9.092 ======================= Grid point 1133 (349/417) ======================= q-point: ( 0.75 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 2.098 -0.601 -13.581) 13.755 3.007 ( -3.751 8.370 -3.511) 9.821 3.606 ( -3.124 13.337 2.249) 13.881 4.218 ( 2.077 1.397 -6.050) 6.548 4.721 ( 2.527 -0.299 4.718) 5.361 5.927 ( 3.031 2.119 1.362) 3.941 6.919 ( -7.543 14.554 -0.111) 16.393 7.701 ( 11.302 -5.995 -2.370) 13.011 8.381 ( 5.849 0.823 1.043) 5.998 8.520 ( 1.918 7.785 -0.636) 8.043 8.918 ( -21.366 -11.742 -0.856) 24.395 13.727 ( 6.513 -4.170 4.098) 8.752 ======================= Grid point 1143 (350/417) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -0.000 19.038 9.975) 21.493 1.901 ( -0.000 8.398 22.790) 24.288 2.628 ( 0.000 36.743 -0.751) 36.750 2.677 ( 0.000 5.171 -5.237) 7.360 2.989 ( 0.000 19.454 3.566) 19.778 5.021 ( 0.000 -5.082 -5.796) 7.708 6.423 ( -0.000 5.268 1.553) 5.492 7.813 ( -0.000 -7.557 0.774) 7.597 8.286 ( -0.000 -5.480 -1.063) 5.582 8.371 ( 0.000 27.397 -16.761) 32.117 12.239 ( -0.000 -20.837 11.908) 24.000 13.242 ( 0.000 13.199 -21.147) 24.928 ======================= Grid point 1144 (351/417) ======================= q-point: ( 0.44 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 11.866 19.660 8.163) 24.371 2.027 ( 0.386 3.925 18.073) 18.498 2.707 ( -0.110 7.852 -5.743) 9.729 3.106 ( 13.819 33.874 -6.898) 37.229 3.276 ( 6.718 22.073 6.479) 23.965 4.965 ( -0.848 0.005 -4.744) 4.819 6.514 ( 3.200 7.114 1.409) 7.927 7.657 ( -5.397 -12.708 0.036) 13.807 8.208 ( -1.670 -4.874 -1.168) 5.283 8.628 ( 6.734 15.681 -11.849) 20.776 12.026 ( -3.269 -25.834 13.855) 29.496 13.282 ( -1.994 12.330 -21.798) 25.123 ======================= Grid point 1145 (352/417) ======================= q-point: ( 0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 1.632 3.504 10.357) 11.055 2.344 ( 15.376 19.956 7.857) 26.390 2.788 ( 1.448 10.275 -5.948) 11.961 3.605 ( 15.883 15.661 -1.424) 22.351 3.687 ( 11.491 27.528 -2.056) 29.901 4.988 ( 2.033 6.451 -1.396) 6.906 6.677 ( 5.045 10.399 1.636) 11.673 7.440 ( -6.265 -9.042 -0.666) 11.021 8.138 ( -0.876 -3.800 -1.300) 4.111 8.747 ( 1.464 0.491 -8.527) 8.666 11.702 ( -9.075 -29.487 12.062) 33.126 13.281 ( -2.510 9.976 -16.749) 19.656 ======================= Grid point 1146 (353/417) ======================= q-point: ( 0.56 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 3.339 3.407 3.978) 6.211 2.792 ( 11.214 13.795 7.262) 19.204 2.934 ( 4.069 19.146 -6.062) 20.491 3.980 ( 13.464 9.463 1.772) 16.552 4.055 ( 8.203 15.277 -7.936) 19.070 5.179 ( 8.717 13.208 2.664) 16.047 6.879 ( 3.247 13.751 1.991) 14.269 7.293 ( -2.256 -4.930 -0.366) 5.434 8.111 ( 1.797 -1.120 -1.860) 2.818 8.652 ( -4.662 -6.780 -6.692) 10.606 11.208 ( -18.431 -29.866 5.650) 35.547 13.301 ( 1.205 5.120 -7.447) 9.118 ======================= Grid point 1147 (354/417) ======================= q-point: ( 0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 4.152 2.877 -1.774) 5.354 2.987 ( 1.824 10.355 -1.084) 10.570 3.289 ( 8.097 24.032 2.027) 25.440 4.157 ( 3.670 2.523 -8.893) 9.946 4.325 ( 9.519 10.292 3.542) 14.460 5.498 ( 10.729 12.214 3.544) 16.638 7.042 ( -0.587 13.490 2.067) 13.660 7.277 ( 2.616 0.506 0.030) 2.664 8.175 ( 5.888 2.069 -2.622) 6.769 8.465 ( -5.912 -6.754 -3.899) 9.786 10.554 ( -26.293 -26.614 -0.302) 37.413 13.368 ( 5.492 -0.862 -0.251) 5.564 ======================= Grid point 1148 (355/417) ======================= q-point: ( 0.69 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 3.536 1.936 -6.429) 7.588 3.098 ( -0.949 12.122 -2.705) 12.457 3.625 ( 3.145 22.507 3.415) 22.980 4.178 ( 0.998 1.241 -7.510) 7.677 4.554 ( 6.740 5.416 3.896) 9.483 5.756 ( 7.099 6.977 2.927) 10.375 7.156 ( -1.815 13.369 2.266) 13.681 7.359 ( 4.256 3.021 -0.627) 5.256 8.268 ( 2.029 -1.873 -3.453) 4.422 8.383 ( 3.477 2.724 0.311) 4.428 9.839 ( -28.823 -21.020 -3.137) 35.812 13.458 ( 7.988 -5.536 2.864) 10.132 ======================= Grid point 1149 (356/417) ======================= q-point: ( 0.75 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 1.830 0.964 -9.190) 9.420 3.170 ( -3.853 12.807 -3.626) 13.857 3.849 ( -3.102 20.595 3.932) 21.196 4.186 ( 1.208 1.719 -6.258) 6.601 4.682 ( 3.365 0.766 3.485) 4.905 5.900 ( 3.697 2.760 2.097) 5.068 7.252 ( -6.362 17.841 2.384) 19.091 7.456 ( 6.725 -2.160 -1.439) 7.208 8.292 ( 5.171 -0.103 0.493) 5.196 8.521 ( 5.193 5.061 -0.841) 7.300 9.190 ( -25.261 -13.934 -3.426) 29.052 13.543 ( 8.755 -8.168 3.329) 12.428 ======================= Grid point 1160 (357/417) ======================= q-point: ( 0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -0.000 20.236 7.470) 21.571 2.106 ( -0.000 1.675 14.204) 14.303 2.756 ( 0.000 6.731 -5.721) 8.834 3.274 ( 0.000 28.318 -6.106) 28.968 3.514 ( 0.000 30.513 4.389) 30.827 4.973 ( 0.000 3.848 -3.789) 5.401 6.553 ( 0.000 6.950 0.660) 6.981 7.583 ( -0.000 -11.340 -0.535) 11.353 8.174 ( -0.000 -4.948 -0.290) 4.957 8.666 ( 0.000 9.154 -9.151) 12.943 11.822 ( -0.000 -30.671 14.391) 33.880 13.360 ( 0.000 13.412 -20.576) 24.561 ======================= Grid point 1161 (358/417) ======================= q-point: ( 0.50 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 0.192 2.014 8.639) 8.873 2.310 ( 11.971 18.144 7.389) 22.959 2.832 ( 2.614 9.357 -6.190) 11.520 3.570 ( 7.431 19.804 -1.394) 21.198 3.842 ( 3.217 27.502 -1.412) 27.725 5.036 ( 1.114 10.283 -1.721) 10.486 6.675 ( 5.779 8.160 0.423) 10.008 7.445 ( -4.249 -7.936 -1.212) 9.083 8.120 ( -1.289 -3.059 -0.042) 3.320 8.698 ( 1.038 -1.163 -6.488) 6.672 11.528 ( -2.979 -34.204 13.485) 36.887 13.391 ( -3.507 11.974 -17.160) 21.217 ======================= Grid point 1162 (359/417) ======================= q-point: ( 0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 1.592 2.044 4.308) 5.027 2.728 ( 13.805 12.618 6.845) 19.916 3.009 ( 6.674 17.316 -6.108) 19.537 3.873 ( 9.772 11.146 0.606) 14.836 4.115 ( 3.282 18.711 -4.311) 19.480 5.214 ( 4.761 16.095 0.494) 16.791 6.905 ( 9.168 11.225 0.529) 14.503 7.303 ( -4.227 -4.185 -0.832) 6.006 8.083 ( -0.532 -0.606 -0.284) 0.855 8.624 ( -2.326 -7.133 -5.093) 9.068 11.134 ( -8.184 -35.324 9.543) 37.495 13.369 ( -4.652 8.073 -10.970) 14.393 ======================= Grid point 1163 (360/417) ======================= q-point: ( 0.62 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 2.645 2.227 0.794) 3.548 3.011 ( 7.133 8.859 1.506) 11.473 3.368 ( 11.079 23.438 -0.613) 25.932 4.082 ( 6.013 3.611 -2.817) 7.559 4.322 ( 4.940 13.324 -0.613) 14.223 5.483 ( 7.361 14.915 1.438) 16.694 7.108 ( 0.992 4.040 -0.312) 4.172 7.301 ( 5.058 9.645 1.445) 10.986 8.100 ( 2.651 1.461 -1.399) 3.335 8.473 ( -4.459 -7.185 -3.523) 9.161 10.625 ( -15.208 -32.488 3.933) 36.086 13.333 ( -2.113 2.096 -4.272) 5.206 ======================= Grid point 1164 (361/417) ======================= q-point: ( 0.69 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 2.530 2.183 -2.188) 3.994 3.196 ( 3.217 11.450 -1.095) 11.944 3.765 ( 8.173 22.059 2.880) 23.700 4.149 ( 1.644 1.628 -5.388) 5.863 4.530 ( 5.584 8.823 1.915) 10.616 5.723 ( 6.215 8.487 1.716) 10.658 7.124 ( 2.736 -1.673 -0.008) 3.207 7.534 ( 0.805 19.857 2.699) 20.056 8.184 ( 5.062 0.959 -3.329) 6.134 8.355 ( -0.634 -2.485 -0.752) 2.673 10.033 ( -20.890 -25.985 -0.594) 33.346 13.317 ( 2.267 -4.000 0.254) 4.605 ======================= Grid point 1165 (362/417) ======================= q-point: ( 0.75 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 1.403 2.083 -4.447) 5.107 3.335 ( -0.703 13.595 -2.429) 13.828 4.072 ( 2.211 16.868 6.982) 18.389 4.167 ( 1.629 3.835 -7.235) 8.350 4.673 ( 1.904 5.837 1.119) 6.241 5.864 ( 3.968 1.957 1.891) 4.811 7.183 ( 6.816 -3.733 0.168) 7.773 7.703 ( -6.551 22.464 2.677) 23.553 8.217 ( 2.858 -0.821 -0.185) 2.980 8.442 ( 7.551 2.618 -1.528) 8.137 9.441 ( -22.433 -17.128 -3.127) 28.397 13.333 ( 6.175 -8.326 2.002) 10.558 ======================= Grid point 1178 (363/417) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -0.000 0.647 6.034) 6.068 2.399 ( -0.000 16.970 6.608) 18.211 2.868 ( 0.000 9.077 -6.247) 11.019 3.702 ( 0.000 17.730 1.130) 17.766 4.059 ( 0.000 22.659 -3.535) 22.933 5.146 ( 0.000 15.567 -1.461) 15.635 6.683 ( 0.000 5.647 -0.440) 5.664 7.415 ( 0.000 -4.683 -1.728) 4.991 8.114 ( -0.000 -0.776 0.602) 0.983 8.642 ( 0.000 -5.099 -4.204) 6.609 11.245 ( -0.000 -37.412 13.094) 39.638 13.488 ( 0.000 11.738 -15.209) 19.212 ======================= Grid point 1179 (364/417) ======================= q-point: ( 0.56 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 0.711 0.939 3.858) 4.034 2.658 ( 9.698 11.647 6.169) 16.363 3.010 ( 7.309 13.576 -6.027) 16.555 3.885 ( 3.232 11.475 2.806) 12.248 4.246 ( 0.744 16.975 -4.492) 17.575 5.327 ( 1.989 18.355 -1.289) 18.507 6.813 ( 9.539 5.626 -0.799) 11.103 7.345 ( -4.005 -1.173 -1.482) 4.428 8.113 ( -1.177 2.337 1.040) 2.816 8.561 ( -0.770 -7.789 -2.994) 8.380 10.890 ( -2.590 -38.833 10.824) 40.397 13.506 ( -4.770 9.477 -11.563) 15.693 ======================= Grid point 1180 (365/417) ======================= q-point: ( 0.62 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 1.791 1.562 2.658) 3.565 2.938 ( 10.559 6.870 3.324) 13.028 3.350 ( 14.627 18.951 -3.341) 24.172 4.035 ( 3.708 4.705 2.524) 6.500 4.396 ( 1.505 13.237 -3.185) 13.698 5.545 ( 3.735 15.993 -1.068) 16.458 7.083 ( 11.635 7.040 -1.807) 13.718 7.278 ( -0.396 1.992 -0.061) 2.032 8.129 ( -1.566 4.846 1.576) 5.331 8.452 ( -2.298 -6.590 -2.621) 7.455 10.474 ( -6.029 -37.361 7.137) 38.512 13.441 ( -7.474 5.564 -7.042) 11.680 ======================= Grid point 1181 (366/417) ======================= q-point: ( 0.69 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 2.058 2.058 1.507) 3.277 3.184 ( 9.261 7.935 1.185) 12.253 3.786 ( 14.034 19.314 -1.064) 23.898 4.118 ( 2.276 1.277 0.501) 2.657 4.543 ( 3.674 9.375 -0.657) 10.091 5.735 ( 3.403 10.028 -0.605) 10.607 7.128 ( -3.445 1.597 -0.789) 3.878 7.550 ( 16.596 11.355 -0.449) 20.114 8.162 ( -0.567 4.284 1.127) 4.466 8.359 ( -2.475 -1.456 -1.499) 3.239 10.013 ( -10.020 -32.062 3.205) 33.744 13.333 ( -6.444 0.678 -2.827) 7.069 ======================= Grid point 1182 (367/417) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 1.367 2.368 -0.000) 2.735 3.409 ( 6.112 10.586 -0.000) 12.224 4.149 ( 0.472 0.817 0.000) 0.943 4.151 ( 8.533 14.779 -0.000) 17.066 4.703 ( 5.022 8.698 -0.000) 10.044 5.837 ( 1.415 2.451 -0.000) 2.830 7.104 ( 0.055 0.096 -0.000) 0.111 7.906 ( 8.685 15.043 -0.000) 17.370 8.187 ( 0.258 0.446 -0.000) 0.515 8.362 ( 2.346 4.063 -0.000) 4.691 9.549 ( -13.138 -22.755 -0.000) 26.275 13.235 ( -2.298 -3.980 -0.000) 4.596 ======================= Grid point 1196 (368/417) ======================= q-point: ( 0.56 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -0.000 0.861 4.128) 4.216 2.695 ( -0.000 8.824 5.241) 10.263 3.046 ( 0.000 13.186 -5.191) 14.171 3.972 ( -0.000 8.144 4.188) 9.158 4.380 ( 0.000 14.588 -4.549) 15.281 5.482 ( 0.000 17.429 -2.570) 17.618 6.754 ( 0.000 2.095 -0.861) 2.265 7.389 ( 0.000 3.119 -1.212) 3.346 8.161 ( 0.000 4.886 0.853) 4.960 8.484 ( -0.000 -7.666 -1.298) 7.775 10.557 ( -0.000 -40.166 9.734) 41.328 13.606 ( 0.000 8.874 -10.033) 13.394 ======================= Grid point 1197 (369/417) ======================= q-point: ( 0.62 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 0.864 1.573 5.130) 5.435 2.848 ( 7.550 5.391 3.672) 9.978 3.264 ( 11.492 14.482 -3.644) 18.843 4.057 ( 0.921 4.191 4.680) 6.349 4.497 ( 0.054 12.091 -4.051) 12.751 5.642 ( 1.701 13.905 -2.827) 14.291 6.881 ( 13.034 2.268 -1.163) 13.281 7.383 ( -5.394 5.522 -0.303) 7.726 8.216 ( -0.819 6.419 1.490) 6.641 8.410 ( -0.457 -5.068 -1.372) 5.270 10.182 ( -1.639 -39.174 7.444) 39.909 13.602 ( -6.000 6.877 -7.506) 11.817 ======================= Grid point 1198 (370/417) ======================= q-point: ( 0.69 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 1.351 2.156 5.498) 6.058 3.071 ( 11.336 4.906 2.662) 12.636 3.658 ( 18.374 14.244 -3.159) 23.462 4.116 ( 0.864 1.760 4.695) 5.088 4.589 ( 0.470 8.420 -2.936) 8.929 5.783 ( 2.126 9.442 -2.324) 9.953 7.182 ( 12.031 5.261 -2.697) 13.405 7.352 ( 2.025 4.620 0.795) 5.107 8.240 ( -2.753 2.610 2.072) 4.323 8.391 ( 0.003 3.683 -1.218) 3.879 9.797 ( -2.947 -35.407 5.010) 35.881 13.496 ( -10.040 4.134 -4.650) 11.812 ======================= Grid point 1214 (371/417) ======================= q-point: ( 0.62 0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -0.000 2.301 8.335) 8.647 2.837 ( -0.000 3.780 3.150) 4.921 3.276 ( 0.000 11.930 -2.854) 12.267 4.101 ( -0.000 2.650 5.297) 5.923 4.594 ( 0.000 10.227 -4.241) 11.072 5.737 ( 0.000 10.645 -3.085) 11.083 6.766 ( 0.000 0.049 -0.210) 0.216 7.511 ( 0.000 8.851 0.680) 8.877 8.290 ( 0.000 7.018 0.178) 7.020 8.367 ( 0.000 -3.024 -0.656) 3.094 9.837 ( -0.000 -38.123 5.919) 38.580 13.698 ( 0.000 6.316 -6.618) 9.149 ======================= Grid point 1216 (372/417) ======================= q-point: (-0.31 -0.38 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 0.119 2.699 10.166) 10.519 2.948 ( 7.916 2.915 2.963) 8.941 3.487 ( 12.855 9.867 -2.524) 16.400 4.142 ( 0.265 1.725 5.510) 5.780 4.660 ( -0.752 7.242 -4.099) 8.355 5.829 ( 1.215 7.648 -2.419) 8.113 6.904 ( 15.491 1.015 -0.546) 15.534 7.532 ( -7.898 8.483 1.358) 11.670 8.310 ( -2.613 1.929 0.289) 3.261 8.407 ( 3.253 5.744 -0.816) 6.651 9.491 ( -0.404 -34.721 4.153) 34.971 13.675 ( -6.769 4.936 -5.123) 9.820 ======================= Grid point 1233 (373/417) ======================= q-point: (-0.31 -0.31 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( -0.000 2.911 13.947) 14.248 2.906 ( -0.000 1.517 2.615) 3.023 3.445 ( 0.000 6.714 -1.953) 6.992 4.176 ( -0.000 1.874 5.711) 6.011 4.714 ( 0.000 5.033 -4.577) 6.803 5.879 ( 0.000 5.992 -1.595) 6.201 6.768 ( -0.000 0.145 0.732) 0.746 7.708 ( -0.000 9.406 2.558) 9.748 8.372 ( 0.000 4.251 -1.028) 4.373 8.406 ( 0.000 4.410 -0.691) 4.463 9.181 ( -0.000 -30.824 2.172) 30.900 13.764 ( 0.000 4.330 -4.856) 6.506 ======================= Grid point 1389 (374/417) ======================= q-point: ( 0.31 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -0.000 -0.000 15.626) 15.626 1.055 ( -0.000 -0.000 15.626) 15.626 2.096 ( -0.000 -0.000 33.087) 33.087 2.567 ( 0.000 0.000 -4.831) 4.831 2.567 ( 0.000 0.000 -4.831) 4.831 5.669 ( 0.000 0.000 -16.445) 16.445 6.317 ( -0.000 -0.000 1.992) 1.992 6.317 ( -0.000 -0.000 1.992) 1.992 8.416 ( 0.000 0.000 -1.522) 1.522 8.416 ( 0.000 0.000 -1.522) 1.522 12.550 ( -0.000 -0.000 4.685) 4.685 12.986 ( 0.000 0.000 -2.765) 2.765 ======================= Grid point 1390 (375/417) ======================= q-point: ( 0.38 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 11.791 6.808 12.445) 18.446 1.462 ( 25.004 14.436 14.380) 32.255 2.223 ( 4.577 2.643 22.293) 22.911 2.553 ( 1.057 0.611 -4.472) 4.636 2.712 ( 12.309 7.106 -1.997) 14.352 5.226 ( -15.221 -8.788 -6.844) 18.861 6.348 ( 2.056 1.187 1.806) 2.983 7.239 ( 52.614 30.377 -12.883) 62.105 8.257 ( -11.680 -6.744 -2.396) 13.698 8.383 ( -2.548 -1.471 -1.474) 3.291 12.527 ( -4.258 -2.458 7.092) 8.630 13.023 ( 3.933 2.271 -10.393) 11.342 ======================= Grid point 1391 (376/417) ======================= q-point: ( 0.44 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 17.669 10.201 8.400) 22.064 1.921 ( 7.265 4.195 20.256) 21.924 2.583 ( 2.737 1.580 -3.848) 4.979 2.633 ( 29.411 16.981 2.348) 34.043 3.064 ( 18.297 10.564 0.352) 21.131 4.991 ( -5.178 -2.990 -5.638) 8.218 6.422 ( 4.010 2.315 1.569) 4.889 7.838 ( -10.882 -6.282 1.008) 12.605 8.292 ( 29.437 16.995 -15.517) 37.365 8.299 ( -4.180 -2.413 -1.391) 5.023 12.394 ( -10.914 -6.301 12.540) 17.778 13.052 ( 3.348 1.933 -19.982) 20.353 ======================= Grid point 1392 (377/417) ======================= q-point: ( 0.50 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 2.924 1.688 13.663) 14.074 2.079 ( 19.690 11.368 5.205) 23.325 2.646 ( 3.778 2.181 -3.019) 5.306 3.349 ( 29.316 16.926 -1.245) 33.874 3.519 ( 22.160 12.794 -1.673) 25.643 4.931 ( 1.257 0.726 -2.305) 2.724 6.534 ( 5.306 3.063 1.372) 6.278 7.554 ( -10.999 -6.350 -0.003) 12.700 8.200 ( -3.739 -2.159 -1.291) 4.506 8.710 ( 9.634 5.562 -10.513) 15.306 12.073 ( -21.720 -12.540 9.150) 26.697 13.094 ( 6.665 3.848 -14.654) 16.552 ======================= Grid point 1393 (378/417) ======================= q-point: ( 0.56 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 4.644 2.681 5.284) 7.528 2.531 ( 18.801 10.855 2.215) 21.822 2.728 ( 4.102 2.368 -1.439) 4.950 3.872 ( 18.721 10.809 -0.105) 21.618 3.979 ( 16.311 9.417 -6.772) 20.015 5.069 ( 11.399 6.581 3.225) 13.551 6.656 ( 4.679 2.702 1.121) 5.518 7.382 ( -3.925 -2.266 -0.108) 4.534 8.143 ( -0.613 -0.354 -1.069) 1.282 8.711 ( -4.831 -2.789 -7.949) 9.711 11.479 ( -31.539 -18.209 0.672) 36.424 13.253 ( 9.304 5.372 -2.826) 11.109 ======================= Grid point 1394 (379/417) ======================= q-point: ( 0.62 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 5.345 3.086 -2.641) 6.713 2.802 ( 4.322 2.495 -4.479) 6.706 2.940 ( 15.031 8.678 4.474) 17.923 4.139 ( 5.458 3.151 -11.920) 13.483 4.273 ( 13.060 7.540 5.979) 16.222 5.407 ( 14.958 8.636 4.631) 17.882 6.738 ( 2.249 1.298 0.598) 2.665 7.381 ( 3.712 2.143 -0.478) 4.313 8.176 ( 3.761 2.171 -0.557) 4.378 8.524 ( -8.186 -4.726 -4.966) 10.678 10.702 ( -35.753 -20.642 -3.836) 41.462 13.460 ( 8.328 4.808 3.553) 10.252 ======================= Grid point 1395 (380/417) ======================= q-point: ( 0.69 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 4.464 2.577 -9.503) 10.811 2.869 ( 2.808 1.621 -3.026) 4.435 3.248 ( 10.935 6.314 2.597) 12.892 4.168 ( 1.389 0.802 -7.957) 8.117 4.546 ( 9.108 5.259 5.080) 11.680 5.705 ( 9.832 5.677 3.309) 11.826 6.766 ( 0.395 0.228 -0.122) 0.473 7.523 ( 8.331 4.810 -1.613) 9.754 8.290 ( 5.743 3.316 0.131) 6.633 8.369 ( -3.667 -2.117 -1.070) 4.367 9.890 ( -34.053 -19.660 -4.405) 39.567 13.638 ( 5.981 3.453 5.256) 8.678 ======================= Grid point 1406 (381/417) ======================= q-point: ( 0.38 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -0.000 11.519 11.907) 16.568 1.540 ( -0.000 31.457 13.168) 34.101 2.284 ( -0.000 1.826 17.089) 17.187 2.577 ( 0.000 3.225 -4.939) 5.899 2.674 ( 0.000 13.145 1.622) 13.244 5.203 ( 0.000 -16.944 -7.157) 18.394 6.353 ( -0.000 2.458 1.679) 2.977 7.192 ( 0.000 58.174 -10.280) 59.075 8.266 ( 0.000 -12.092 -2.813) 12.415 8.371 ( 0.000 -3.338 -1.187) 3.543 12.538 ( -0.000 -6.265 7.124) 9.487 13.001 ( 0.000 4.700 -9.692) 10.772 ======================= Grid point 1407 (382/417) ======================= q-point: ( 0.44 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 11.597 15.387 8.782) 21.175 1.952 ( 5.925 15.900 19.333) 25.724 2.452 ( 10.398 15.851 -1.213) 18.996 2.604 ( 1.924 8.062 -3.200) 8.885 2.936 ( 10.939 15.181 3.660) 19.066 5.011 ( -4.032 -6.474 -5.832) 9.602 6.409 ( 2.205 4.079 1.448) 4.858 7.831 ( 10.085 13.125 -0.680) 16.566 8.112 ( 3.101 10.026 -11.635) 15.669 8.323 ( -0.983 -2.493 -1.675) 3.160 12.453 ( -3.266 -12.574 11.570) 17.397 13.014 ( -0.305 6.647 -17.151) 18.397 ======================= Grid point 1408 (383/417) ======================= q-point: ( 0.50 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 14.605 18.254 5.641) 24.048 2.110 ( 0.162 2.597 15.205) 15.426 2.621 ( 2.484 5.321 -3.566) 6.870 3.088 ( 24.775 28.294 -5.523) 38.011 3.327 ( 15.831 14.865 3.333) 21.970 4.923 ( -0.617 0.026 -3.447) 3.502 6.516 ( 3.655 6.448 1.351) 7.534 7.648 ( -9.999 -11.671 0.451) 15.376 8.214 ( -1.942 -4.182 -1.431) 4.828 8.569 ( 12.757 14.930 -9.494) 21.812 12.226 ( -11.046 -19.516 11.172) 25.054 13.030 ( 1.670 8.752 -16.512) 18.762 ======================= Grid point 1409 (384/417) ======================= q-point: ( 0.56 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 1.849 1.998 7.208) 7.705 2.425 ( 13.978 20.674 2.905) 25.125 2.710 ( 2.680 5.922 -1.573) 6.688 3.689 ( 18.218 18.930 -6.142) 26.981 3.768 ( 18.655 12.552 1.097) 22.511 4.991 ( 6.478 6.550 0.951) 9.261 6.658 ( 3.258 8.895 1.406) 9.577 7.417 ( -5.733 -7.254 0.194) 9.248 8.143 ( -1.174 -2.473 -1.375) 3.063 8.708 ( -0.200 -0.497 -6.881) 6.902 11.748 ( -22.977 -23.410 2.534) 32.899 13.153 ( 7.257 7.365 -5.151) 11.552 ======================= Grid point 1410 (385/417) ======================= q-point: ( 0.62 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 3.232 2.476 0.406) 4.091 2.787 ( 3.104 11.420 -6.347) 13.429 2.877 ( 10.526 15.778 6.892) 20.180 4.026 ( 8.858 7.858 -10.871) 16.074 4.147 ( 13.710 9.100 5.302) 17.288 5.274 ( 13.646 11.286 3.813) 18.114 6.790 ( 0.096 10.497 1.413) 10.592 7.326 ( 1.173 -3.404 0.190) 3.605 8.139 ( 2.536 0.833 -1.403) 3.016 8.580 ( -6.561 -5.880 -4.653) 9.964 11.045 ( -31.210 -23.928 -3.541) 39.486 13.351 ( 9.525 3.183 2.817) 10.431 ======================= Grid point 1411 (386/417) ======================= q-point: ( 0.69 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 3.295 2.173 -5.655) 6.896 2.884 ( 0.451 8.457 -3.406) 9.128 3.228 ( 7.504 17.866 3.428) 19.678 4.122 ( 2.553 2.144 -8.098) 8.757 4.452 ( 10.603 6.637 4.853) 13.417 5.609 ( 11.130 8.787 3.607) 14.632 6.869 ( -4.007 11.906 1.115) 12.611 7.384 ( 7.988 -1.558 -0.495) 8.153 8.231 ( 5.558 3.420 -1.416) 6.677 8.409 ( -4.899 -4.125 -1.225) 6.521 10.247 ( -33.521 -21.906 -5.335) 40.398 13.536 ( 9.069 -0.752 5.414) 10.588 ======================= Grid point 1424 (387/417) ======================= q-point: ( 0.44 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( -0.000 18.004 8.148) 19.762 2.118 ( -0.000 6.981 20.073) 21.252 2.578 ( 0.000 32.391 -8.137) 33.398 2.624 ( 0.000 4.956 -5.115) 7.122 3.045 ( -0.000 20.830 6.367) 21.781 4.965 ( 0.000 -4.542 -5.166) 6.879 6.436 ( 0.000 5.055 1.042) 5.161 7.831 ( -0.000 -7.805 2.733) 8.269 8.219 ( 0.000 29.199 -13.195) 32.042 8.278 ( -0.000 -5.296 -0.583) 5.328 12.364 ( -0.000 -19.023 12.802) 22.930 13.045 ( 0.000 10.142 -18.116) 20.761 ======================= Grid point 1425 (388/417) ======================= q-point: ( 0.50 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 11.447 19.385 6.449) 23.418 2.186 ( -0.783 0.308 12.779) 12.807 2.652 ( 0.049 7.689 -5.126) 9.241 3.036 ( 14.064 32.922 -6.113) 36.319 3.336 ( 6.151 22.343 4.751) 23.657 4.923 ( -0.306 0.953 -3.505) 3.645 6.525 ( 3.435 6.914 0.790) 7.761 7.659 ( -5.726 -13.750 0.195) 14.896 8.199 ( -1.972 -4.268 -0.629) 4.744 8.531 ( 7.407 17.523 -7.337) 20.390 12.164 ( -3.688 -25.442 13.038) 28.825 13.081 ( -1.309 12.393 -17.605) 21.569 ======================= Grid point 1426 (389/417) ======================= q-point: ( 0.56 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 0.487 1.385 6.063) 6.238 2.414 ( 14.687 20.685 5.589) 25.977 2.734 ( 1.870 8.826 -4.350) 10.016 3.567 ( 16.958 21.826 -4.061) 27.936 3.693 ( 9.103 20.702 1.458) 22.662 4.977 ( 3.497 7.643 -0.724) 8.436 6.690 ( 5.426 10.318 0.889) 11.692 7.436 ( -6.070 -9.431 -0.260) 11.218 8.127 ( -1.350 -3.601 -0.725) 3.914 8.680 ( 1.406 1.267 -4.634) 5.006 11.802 ( -12.024 -29.331 7.425) 32.558 13.144 ( 1.138 10.775 -9.871) 14.657 ======================= Grid point 1427 (390/417) ======================= q-point: ( 0.62 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 1.556 1.891 1.619) 2.935 2.847 ( 3.231 8.413 -0.519) 9.028 2.890 ( 12.004 24.453 1.316) 27.273 3.941 ( 8.984 10.895 -6.401) 15.505 4.044 ( 11.817 14.119 2.899) 18.638 5.201 ( 10.019 13.354 1.720) 16.783 6.896 ( 3.637 13.766 1.343) 14.302 7.292 ( -2.058 -4.994 0.161) 5.404 8.095 ( 1.311 -1.247 -1.375) 2.273 8.603 ( -4.579 -6.193 -3.052) 8.284 11.238 ( -21.910 -28.874 0.112) 36.246 13.258 ( 5.112 4.630 -0.889) 6.954 ======================= Grid point 1428 (391/417) ======================= q-point: ( 0.69 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 1.904 2.263 -2.274) 3.731 2.968 ( 0.834 11.178 -2.549) 11.495 3.317 ( 8.894 23.463 3.176) 25.292 4.079 ( 2.881 4.121 -6.235) 8.010 4.362 ( 10.402 9.151 3.610) 14.317 5.528 ( 11.233 11.698 2.397) 16.394 7.063 ( -0.226 13.220 2.082) 13.385 7.277 ( 2.098 1.126 0.120) 2.384 8.150 ( 5.596 1.335 -2.381) 6.226 8.442 ( -4.986 -5.835 -0.667) 7.704 10.532 ( -28.268 -25.450 -4.090) 38.256 13.386 ( 7.593 -1.981 3.773) 8.707 ======================= Grid point 1442 (392/417) ======================= q-point: ( 0.50 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( -0.000 20.029 6.200) 20.966 2.217 ( -0.000 -1.343 7.371) 7.492 2.699 ( 0.000 6.354 -5.445) 8.368 3.231 ( 0.000 31.719 -1.929) 31.778 3.546 ( 0.000 26.576 1.802) 26.637 4.939 ( 0.000 4.852 -2.775) 5.590 6.557 ( 0.000 6.591 0.074) 6.592 7.577 ( -0.000 -12.241 -0.785) 12.266 8.174 ( -0.000 -4.667 0.238) 4.673 8.598 ( 0.000 10.820 -4.249) 11.624 11.963 ( -0.000 -30.618 13.335) 33.396 13.170 ( 0.000 14.285 -16.670) 21.953 ======================= Grid point 1443 (393/417) ======================= q-point: ( 0.56 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( -0.193 0.514 3.501) 3.544 2.380 ( 12.198 18.280 6.071) 22.799 2.770 ( 2.472 8.694 -5.881) 10.783 3.571 ( 7.384 22.350 2.075) 23.630 3.825 ( 2.651 24.339 -2.082) 24.571 5.019 ( 1.753 11.051 -1.651) 11.310 6.676 ( 6.074 7.771 -0.282) 9.867 7.433 ( -4.025 -8.352 -1.154) 9.343 8.122 ( -1.535 -2.692 0.561) 3.149 8.655 ( 0.761 -0.525 -1.981) 2.186 11.652 ( -4.275 -34.484 10.740) 36.370 13.240 ( -1.931 13.265 -12.432) 18.282 ======================= Grid point 1444 (394/417) ======================= q-point: ( 0.62 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 0.886 1.405 1.400) 2.173 2.795 ( 12.638 10.511 6.502) 17.677 2.945 ( 8.060 19.195 -6.478) 21.803 3.891 ( 8.182 11.923 3.244) 14.820 4.077 ( 3.990 18.181 -3.421) 18.926 5.213 ( 5.754 16.010 -0.645) 17.025 6.905 ( 9.703 10.586 -0.483) 14.368 7.296 ( -3.689 -4.203 -0.524) 5.617 8.085 ( -1.265 -0.065 0.606) 1.404 8.592 ( -2.627 -6.963 -1.056) 7.517 11.211 ( -10.952 -34.964 5.345) 37.027 13.283 ( -1.661 8.316 -5.730) 10.234 ======================= Grid point 1445 (395/417) ======================= q-point: ( 0.69 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 1.347 2.334 -0.000) 2.695 3.019 ( 5.265 9.120 -0.000) 10.531 3.365 ( 13.328 23.085 -0.000) 26.656 4.066 ( 2.786 4.826 -0.000) 5.572 4.320 ( 7.336 12.706 -0.000) 14.672 5.490 ( 8.283 14.347 -0.000) 16.566 7.107 ( 1.725 2.988 -0.000) 3.451 7.309 ( 5.809 10.061 -0.000) 11.618 8.092 ( 1.184 2.052 -0.000) 2.369 8.455 ( -4.113 -7.125 -0.000) 8.227 10.645 ( -18.083 -31.320 -0.000) 36.166 13.311 ( 0.680 1.179 -0.000) 1.361 ======================= Grid point 1460 (396/417) ======================= q-point: ( 0.56 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( -0.000 0.258 1.517) 1.538 2.465 ( -0.000 17.171 6.326) 18.299 2.803 ( 0.000 8.752 -6.374) 10.827 3.734 ( -0.000 18.789 5.457) 19.565 4.022 ( 0.000 21.099 -3.971) 21.469 5.127 ( 0.000 15.685 -2.332) 15.858 6.676 ( 0.000 5.386 -0.809) 5.447 7.398 ( 0.000 -4.807 -1.515) 5.040 8.122 ( -0.000 -0.602 0.912) 1.093 8.623 ( -0.000 -4.830 0.307) 4.840 11.366 ( -0.000 -38.120 10.645) 39.578 13.352 ( 0.000 13.235 -11.424) 17.484 ======================= Grid point 1461 (397/417) ======================= q-point: ( 0.62 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 0.486 1.648 1.557) 2.318 2.722 ( 9.331 10.346 6.446) 15.352 2.946 ( 7.631 14.868 -6.681) 17.997 3.935 ( 2.802 11.480 7.088) 13.779 4.199 ( 0.916 16.855 -4.868) 17.568 5.307 ( 2.499 17.994 -2.685) 18.364 6.803 ( 9.415 5.385 -1.217) 10.914 7.332 ( -3.720 -0.977 -0.953) 3.963 8.125 ( -0.964 2.560 1.343) 3.048 8.551 ( -1.292 -7.980 0.991) 8.144 10.986 ( -3.699 -39.423 7.949) 40.386 13.406 ( -3.522 10.464 -8.012) 13.642 ======================= Grid point 1479 (398/417) ======================= q-point: (-0.38 -0.38 -0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -0.000 2.824 3.329) 4.366 2.750 ( -0.000 7.197 5.475) 9.043 2.992 ( 0.000 14.917 -5.446) 15.880 4.036 ( -0.000 7.414 8.397) 11.202 4.330 ( 0.000 14.903 -5.277) 15.810 5.449 ( 0.000 17.202 -3.774) 17.611 6.745 ( 0.000 2.270 -0.787) 2.403 7.380 ( 0.000 3.692 -0.417) 3.715 8.169 ( 0.000 4.676 0.760) 4.737 8.488 ( -0.000 -8.262 2.046) 8.511 10.645 ( -0.000 -41.188 7.408) 41.849 13.516 ( 0.000 9.920 -7.474) 12.420 ======================= Grid point 1672 (399/417) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -0.000 -0.000 11.539) 11.539 1.192 ( -0.000 -0.000 11.539) 11.539 2.392 ( -0.000 -0.000 25.234) 25.234 2.521 ( 0.000 0.000 -4.223) 4.223 2.521 ( 0.000 0.000 -4.223) 4.223 5.512 ( 0.000 0.000 -14.232) 14.232 6.335 ( -0.000 -0.000 1.548) 1.548 6.335 ( -0.000 -0.000 1.548) 1.548 8.402 ( 0.000 0.000 -1.187) 1.187 8.402 ( 0.000 0.000 -1.187) 1.187 12.595 ( -0.000 -0.000 4.088) 4.088 12.958 ( 0.000 0.000 -2.636) 2.636 ======================= Grid point 1673 (400/417) ======================= q-point: ( 0.44 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 10.620 6.132 8.391) 14.859 1.590 ( 26.888 15.524 10.852) 32.890 2.386 ( -1.322 -0.763 9.241) 9.366 2.514 ( 1.251 0.722 -3.119) 3.437 2.721 ( 13.026 7.521 4.172) 15.609 5.155 ( -13.828 -7.983 -6.823) 17.364 6.363 ( 2.020 1.166 1.283) 2.662 7.140 ( 50.196 28.981 -7.138) 58.399 8.237 ( -12.754 -7.364 -1.499) 14.803 8.369 ( -2.569 -1.483 -1.125) 3.172 12.597 ( -1.593 -0.920 6.669) 6.918 12.930 ( -1.423 -0.822 -8.119) 8.283 ======================= Grid point 1674 (401/417) ======================= q-point: ( 0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 16.604 9.586 4.605) 19.718 2.114 ( 6.605 3.813 17.895) 19.452 2.554 ( 2.937 1.696 -1.678) 3.784 2.609 ( 27.022 15.601 -6.635) 31.900 3.086 ( 17.825 10.291 3.190) 20.829 4.941 ( -4.354 -2.514 -4.084) 6.477 6.435 ( 4.005 2.312 1.072) 4.747 7.857 ( -12.553 -7.248 2.539) 14.716 8.158 ( 31.786 18.352 -10.931) 38.297 8.286 ( -4.204 -2.427 -1.082) 4.973 12.518 ( -10.875 -6.279 11.697) 17.161 12.871 ( 2.515 1.452 -15.566) 15.835 ======================= Grid point 1675 (402/417) ======================= q-point: ( 0.56 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 18.837 10.876 1.048) 21.777 2.184 ( -0.106 -0.061 9.590) 9.591 2.631 ( 4.075 2.353 0.295) 4.715 3.300 ( 30.029 17.337 -6.764) 35.328 3.530 ( 20.403 11.780 2.484) 23.690 4.916 ( 3.099 1.789 -0.613) 3.631 6.547 ( 5.321 3.072 1.034) 6.230 7.558 ( -11.224 -6.480 0.772) 12.983 8.188 ( -3.745 -2.162 -1.100) 4.462 8.623 ( 10.307 5.951 -6.489) 13.556 12.124 ( -24.856 -14.350 0.376) 28.703 13.002 ( 10.625 6.134 -2.953) 12.619 ======================= Grid point 1676 (403/417) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 1.715 0.990 2.689) 3.340 2.520 ( 16.503 9.528 -4.062) 19.484 2.746 ( 6.067 3.503 4.508) 8.331 3.809 ( 17.303 9.990 -8.765) 21.818 3.981 ( 17.150 9.902 3.791) 20.163 5.100 ( 12.892 7.443 2.962) 15.178 6.667 ( 4.592 2.651 1.047) 5.405 7.386 ( -4.094 -2.363 0.860) 4.804 8.132 ( -0.502 -0.290 -1.074) 1.221 8.647 ( -4.329 -2.499 -4.528) 6.744 11.452 ( -32.908 -18.999 -5.920) 38.457 13.266 ( 11.347 6.551 5.201) 14.097 ======================= Grid point 1690 (404/417) ======================= q-point: ( 0.44 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -0.000 10.780 8.023) 13.438 1.649 ( -0.000 33.672 8.055) 34.622 2.390 ( -0.000 -4.211 4.873) 6.440 2.531 ( 0.000 2.920 -4.025) 4.972 2.726 ( -0.000 13.868 7.427) 15.731 5.134 ( 0.000 -15.335 -6.086) 16.499 6.367 ( -0.000 2.390 1.077) 2.621 7.115 ( 0.000 56.417 -5.210) 56.657 8.242 ( -0.000 -13.937 -1.839) 14.058 8.362 ( -0.000 -3.232 -0.682) 3.303 12.608 ( -0.000 -2.815 6.498) 7.082 12.914 ( 0.000 -1.339 -7.547) 7.665 ======================= Grid point 1691 (405/417) ======================= q-point: ( 0.50 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 10.400 15.189 4.980) 19.070 2.129 ( 8.795 21.789 15.561) 28.182 2.407 ( 7.186 7.327 -6.926) 12.381 2.571 ( 2.694 7.051 -3.104) 8.162 2.982 ( 9.616 15.538 4.392) 18.793 4.961 ( -3.588 -5.905 -3.791) 7.882 6.420 ( 2.244 4.031 0.792) 4.681 7.834 ( 17.948 27.773 0.991) 33.082 8.015 ( -4.219 -3.678 -7.276) 9.179 8.311 ( -1.562 -3.205 -0.770) 3.647 12.573 ( -2.191 -10.772 12.234) 16.447 12.853 ( -2.058 3.511 -14.756) 15.307 ======================= Grid point 1692 (406/417) ======================= q-point: ( 0.56 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 13.304 18.724 1.477) 23.017 2.234 ( -1.867 -0.316 8.608) 8.814 2.599 ( 4.014 4.580 -0.670) 6.127 3.027 ( 24.600 28.246 -5.427) 37.848 3.359 ( 15.193 15.403 2.343) 21.761 4.898 ( 0.482 0.740 -1.295) 1.568 6.526 ( 3.773 6.496 0.719) 7.546 7.654 ( -10.177 -12.229 0.640) 15.923 8.202 ( -1.831 -3.952 -0.933) 4.454 8.499 ( 12.876 15.839 -4.328) 20.866 12.304 ( -15.201 -19.743 3.055) 25.104 12.916 ( 6.175 9.082 -5.064) 12.094 ======================= Grid point 1693 (407/417) ======================= q-point: ( 0.62 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 0.420 0.314 2.471) 2.526 2.426 ( 11.518 20.682 -2.679) 23.824 2.721 ( 4.688 5.726 3.442) 8.162 3.615 ( 17.682 18.151 -6.470) 26.153 3.799 ( 18.177 13.311 3.216) 22.759 5.003 ( 8.060 7.217 1.418) 10.911 6.670 ( 3.368 9.074 0.925) 9.723 7.423 ( -5.582 -7.496 0.851) 9.385 8.131 ( -1.272 -2.611 -1.064) 3.093 8.658 ( -0.346 0.101 -2.724) 2.747 11.734 ( -26.129 -22.490 -5.110) 34.851 13.151 ( 10.939 6.731 4.635) 13.655 ======================= Grid point 1708 (408/417) ======================= q-point: ( 0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -0.000 17.763 4.859) 18.416 2.290 ( -0.000 -0.743 11.880) 11.903 2.489 ( 0.000 38.056 -7.261) 38.742 2.578 ( 0.000 4.497 -3.809) 5.894 3.098 ( 0.000 20.301 3.520) 20.604 4.924 ( 0.000 -4.059 -2.684) 4.866 6.443 ( 0.000 4.856 0.354) 4.868 7.863 ( -0.000 -12.685 3.204) 13.084 8.112 ( 0.000 34.750 -7.582) 35.568 8.275 ( -0.000 -5.110 0.001) 5.110 12.494 ( -0.000 -18.079 12.668) 22.075 12.878 ( 0.000 8.279 -14.740) 16.906 ======================= Grid point 1709 (409/417) ======================= q-point: ( 0.56 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 10.691 19.902 3.109) 22.804 2.267 ( -0.803 -2.570 2.562) 3.717 2.610 ( 0.729 7.075 -2.826) 7.653 2.999 ( 13.496 34.713 -0.527) 37.248 3.366 ( 5.901 21.297 1.153) 22.130 4.898 ( 0.174 1.335 -1.291) 1.865 6.530 ( 3.625 6.701 0.038) 7.619 7.659 ( -5.782 -14.687 -0.214) 15.786 8.196 ( -2.256 -3.695 0.145) 4.332 8.485 ( 7.605 18.696 -1.620) 20.249 12.275 ( -5.843 -25.372 8.109) 27.270 12.940 ( 1.000 12.366 -9.369) 15.547 ======================= Grid point 1710 (410/417) ======================= q-point: ( 0.62 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 0.276 0.479 -0.000) 0.553 2.445 ( 12.925 22.387 -0.000) 25.850 2.710 ( 3.827 6.629 0.000) 7.655 3.545 ( 14.246 24.675 -0.000) 28.493 3.701 ( 10.522 18.225 -0.000) 21.044 4.973 ( 4.503 7.799 -0.000) 9.006 6.695 ( 5.845 10.123 -0.000) 11.689 7.435 ( -5.650 -9.787 -0.000) 11.301 8.123 ( -1.908 -3.304 -0.000) 3.816 8.656 ( 1.018 1.764 -0.000) 2.037 11.841 ( -16.082 -27.855 -0.000) 32.164 13.093 ( 5.514 9.550 -0.000) 11.028 ======================= Grid point 1726 (411/417) ======================= q-point: ( 0.56 0.56 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 0.000 20.639 3.333) 20.907 2.245 ( 0.000 -2.110 -1.951) 2.874 2.652 ( 0.000 5.569 -3.654) 6.661 3.242 ( 0.000 33.840 3.937) 34.068 3.550 ( 0.000 24.322 -0.993) 24.342 4.919 ( 0.000 4.828 -1.199) 4.974 6.555 ( 0.000 6.307 -0.524) 6.329 7.568 ( -0.000 -12.853 -1.015) 12.893 8.179 ( -0.000 -4.447 0.729) 4.506 8.583 ( 0.000 11.817 1.316) 11.890 12.079 ( -0.000 -30.548 8.793) 31.789 13.036 ( 0.000 14.447 -9.181) 17.117 ======================= Grid point 1958 (412/417) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -0.000 -0.000 6.234) 6.234 1.283 ( -0.000 -0.000 6.234) 6.234 2.486 ( 0.000 0.000 -2.540) 2.540 2.486 ( 0.000 0.000 -2.540) 2.540 2.592 ( -0.000 -0.000 14.001) 14.001 5.394 ( 0.000 0.000 -8.530) 8.530 6.348 ( -0.000 -0.000 0.846) 0.846 6.348 ( -0.000 -0.000 0.846) 0.846 8.393 ( 0.000 0.000 -0.651) 0.651 8.393 ( 0.000 0.000 -0.651) 0.651 12.629 ( -0.000 -0.000 2.523) 2.523 12.935 ( 0.000 0.000 -1.744) 1.744 ======================= Grid point 1959 (413/417) ======================= q-point: ( 0.50 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 9.793 5.654 3.025) 11.706 1.674 ( 28.754 16.601 5.602) 33.672 2.424 ( -3.320 -1.917 0.143) 3.836 2.494 ( 1.624 0.937 -0.751) 2.020 2.775 ( 11.231 6.484 4.583) 13.754 5.100 ( -12.675 -7.318 -3.475) 15.042 6.373 ( 2.010 1.161 0.543) 2.384 7.091 ( 48.580 28.047 -2.695) 56.159 8.228 ( -13.159 -7.597 -0.433) 15.200 8.361 ( -2.624 -1.515 -0.586) 3.086 12.654 ( 1.717 0.991 3.976) 4.442 12.863 ( -6.069 -3.504 -4.450) 8.301 ======================= Grid point 1960 (414/417) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 15.793 9.118 -0.266) 18.238 2.273 ( 2.146 1.239 12.688) 12.928 2.517 ( 30.153 17.409 -10.202) 36.282 2.552 ( 3.370 1.946 1.266) 4.092 3.110 ( 17.341 10.012 1.015) 20.049 4.915 ( -3.639 -2.101 -0.933) 4.304 6.443 ( 4.073 2.352 0.393) 4.720 7.878 ( -15.910 -9.186 0.787) 18.388 8.084 ( 35.230 20.340 -2.765) 40.774 8.278 ( -4.290 -2.477 -0.591) 4.989 12.589 ( -16.487 -9.518 -2.162) 19.159 12.777 ( 7.765 4.483 1.319) 9.062 ======================= Grid point 1976 (415/417) ======================= q-point: ( 0.50 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -0.000 10.762 2.832) 11.128 1.697 ( 0.000 34.410 1.277) 34.433 2.415 ( -0.000 -4.755 1.317) 4.934 2.500 ( 0.000 2.426 -1.968) 3.124 2.786 ( -0.000 12.252 2.959) 12.604 5.092 ( -0.000 -14.375 -1.839) 14.492 6.374 ( 0.000 2.342 0.292) 2.360 7.084 ( 0.000 55.586 -1.142) 55.598 8.229 ( -0.000 -14.941 -0.726) 14.958 8.358 ( -0.000 -3.123 -0.054) 3.124 12.660 ( -0.000 1.789 3.034) 3.523 12.856 ( 0.000 -7.032 -3.241) 7.743 ======================= Grid point 1977 (416/417) ======================= q-point: ( 0.56 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 9.058 15.689 -0.000) 18.116 2.234 ( 19.251 33.344 -0.000) 38.502 2.346 ( -2.566 -4.445 0.000) 5.133 2.553 ( 3.306 5.726 0.000) 6.612 3.007 ( 8.872 15.367 -0.000) 17.744 4.941 ( -3.278 -5.678 -0.000) 6.557 6.424 ( 2.302 3.988 -0.000) 4.605 7.842 ( 23.365 40.469 -0.000) 46.730 7.976 ( -9.425 -16.324 -0.000) 18.850 8.307 ( -1.865 -3.230 -0.000) 3.730 12.678 ( -7.952 -13.773 -0.000) 15.904 12.736 ( 3.486 6.038 0.000) 6.972 ======================= Grid point 2249 (417/417) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 4.65e-08 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -0.000 -0.000 0.000) 0.000 1.314 ( -0.000 -0.000 0.000) 0.000 2.473 ( -0.000 -0.000 0.000) 0.000 2.473 ( -0.000 -0.000 0.000) 0.000 2.664 ( -0.000 -0.000 0.000) 0.000 5.350 ( -0.000 -0.000 0.000) 0.000 6.352 ( -0.000 -0.000 0.000) 0.000 6.352 ( -0.000 -0.000 0.000) 0.000 8.389 ( -0.000 -0.000 0.000) 0.000 8.389 ( -0.000 -0.000 0.000) 0.000 12.642 ( -0.000 -0.000 0.000) 0.000 12.926 ( -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 3/49152 10.0 2044.377 2044.377 4134.684 -0.000 -0.000 0.000 3/49152 20.0 479.393 479.393 449.860 0.000 -0.000 0.000 3/49152 30.0 168.440 168.440 121.458 0.000 -0.000 0.000 3/49152 40.0 92.090 92.090 55.623 0.000 -0.000 0.000 3/49152 50.0 60.763 60.763 32.874 0.000 -0.000 0.000 3/49152 60.0 43.971 43.971 22.376 0.000 -0.000 0.000 3/49152 70.0 33.803 33.803 16.632 0.000 -0.000 0.000 3/49152 80.0 27.177 27.177 13.118 0.000 -0.000 0.000 3/49152 90.0 22.614 22.614 10.793 0.000 -0.000 0.000 3/49152 100.0 19.327 19.327 9.161 0.000 -0.000 0.000 3/49152 110.0 16.867 16.867 7.961 0.000 -0.000 0.000 3/49152 120.0 14.968 14.968 7.046 0.000 -0.000 0.000 3/49152 130.0 13.461 13.461 6.326 0.000 -0.000 0.000 3/49152 140.0 12.239 12.239 5.746 0.000 -0.000 0.000 3/49152 150.0 11.228 11.228 5.269 0.000 -0.000 0.000 3/49152 160.0 10.377 10.377 4.870 0.000 -0.000 0.000 3/49152 170.0 9.652 9.652 4.530 0.000 -0.000 0.000 3/49152 180.0 9.026 9.026 4.237 0.000 -0.000 0.000 3/49152 190.0 8.479 8.479 3.982 0.000 -0.000 0.000 3/49152 200.0 7.998 7.998 3.758 0.000 -0.000 0.000 3/49152 210.0 7.571 7.571 3.559 0.000 -0.000 0.000 3/49152 220.0 7.189 7.189 3.381 0.000 -0.000 0.000 3/49152 230.0 6.845 6.845 3.220 0.000 -0.000 0.000 3/49152 240.0 6.533 6.533 3.075 0.000 -0.000 0.000 3/49152 250.0 6.250 6.250 2.944 0.000 -0.000 0.000 3/49152 260.0 5.991 5.991 2.823 0.000 -0.000 0.000 3/49152 270.0 5.753 5.753 2.712 0.000 -0.000 0.000 3/49152 280.0 5.534 5.534 2.610 0.000 -0.000 0.000 3/49152 290.0 5.332 5.332 2.516 0.000 -0.000 0.000 3/49152 300.0 5.144 5.144 2.428 0.000 -0.000 0.000 3/49152 310.0 4.970 4.970 2.346 0.000 -0.000 0.000 3/49152 320.0 4.807 4.807 2.270 0.000 -0.000 0.000 3/49152 330.0 4.654 4.654 2.199 0.000 -0.000 0.000 3/49152 340.0 4.512 4.512 2.132 0.000 -0.000 0.000 3/49152 350.0 4.377 4.377 2.070 0.000 -0.000 0.000 3/49152 360.0 4.251 4.251 2.010 0.000 -0.000 0.000 3/49152 370.0 4.132 4.132 1.955 0.000 -0.000 0.000 3/49152 380.0 4.020 4.020 1.902 0.000 -0.000 0.000 3/49152 390.0 3.914 3.914 1.852 0.000 -0.000 0.000 3/49152 400.0 3.813 3.813 1.805 0.000 -0.000 0.000 3/49152 410.0 3.717 3.717 1.760 0.000 -0.000 0.000 3/49152 420.0 3.626 3.626 1.717 0.000 -0.000 0.000 3/49152 430.0 3.540 3.540 1.677 0.000 -0.000 0.000 3/49152 440.0 3.457 3.457 1.638 0.000 -0.000 0.000 3/49152 450.0 3.379 3.379 1.601 0.000 -0.000 0.000 3/49152 460.0 3.304 3.304 1.566 0.000 -0.000 0.000 3/49152 470.0 3.232 3.232 1.532 0.000 -0.000 0.000 3/49152 480.0 3.163 3.163 1.499 0.000 -0.000 0.000 3/49152 490.0 3.097 3.097 1.468 0.000 -0.000 0.000 3/49152 500.0 3.034 3.034 1.439 0.000 -0.000 0.000 3/49152 510.0 2.974 2.974 1.410 0.000 -0.000 0.000 3/49152 520.0 2.916 2.916 1.383 0.000 -0.000 0.000 3/49152 530.0 2.860 2.860 1.356 0.000 -0.000 0.000 3/49152 540.0 2.806 2.806 1.331 0.000 -0.000 0.000 3/49152 550.0 2.754 2.754 1.307 0.000 -0.000 0.000 3/49152 560.0 2.704 2.704 1.283 0.000 -0.000 0.000 3/49152 570.0 2.656 2.656 1.260 0.000 -0.000 0.000 3/49152 580.0 2.610 2.610 1.238 0.000 -0.000 0.000 3/49152 590.0 2.565 2.565 1.217 0.000 -0.000 0.000 3/49152 600.0 2.522 2.522 1.197 0.000 -0.000 0.000 3/49152 610.0 2.480 2.480 1.177 0.000 -0.000 0.000 3/49152 620.0 2.440 2.440 1.158 0.000 -0.000 0.000 3/49152 630.0 2.400 2.400 1.140 0.000 -0.000 0.000 3/49152 640.0 2.362 2.362 1.122 0.000 -0.000 0.000 3/49152 650.0 2.326 2.326 1.104 0.000 -0.000 0.000 3/49152 660.0 2.290 2.290 1.087 0.000 -0.000 0.000 3/49152 670.0 2.256 2.256 1.071 0.000 -0.000 0.000 3/49152 680.0 2.222 2.222 1.055 0.000 -0.000 0.000 3/49152 690.0 2.190 2.190 1.040 0.000 -0.000 0.000 3/49152 700.0 2.158 2.158 1.025 0.000 -0.000 0.000 3/49152 710.0 2.127 2.127 1.010 0.000 -0.000 0.000 3/49152 720.0 2.098 2.098 0.996 0.000 -0.000 0.000 3/49152 730.0 2.069 2.069 0.983 0.000 -0.000 0.000 3/49152 740.0 2.041 2.041 0.969 0.000 -0.000 0.000 3/49152 750.0 2.013 2.013 0.956 0.000 -0.000 0.000 3/49152 760.0 1.986 1.986 0.944 0.000 -0.000 0.000 3/49152 770.0 1.961 1.961 0.931 0.000 -0.000 0.000 3/49152 780.0 1.935 1.935 0.919 0.000 -0.000 0.000 3/49152 790.0 1.911 1.911 0.908 0.000 -0.000 0.000 3/49152 800.0 1.887 1.887 0.896 0.000 -0.000 0.000 3/49152 810.0 1.863 1.863 0.885 0.000 -0.000 0.000 3/49152 820.0 1.840 1.840 0.874 0.000 -0.000 0.000 3/49152 830.0 1.818 1.818 0.864 0.000 -0.000 0.000 3/49152 840.0 1.796 1.796 0.853 0.000 -0.000 0.000 3/49152 850.0 1.775 1.775 0.843 0.000 -0.000 0.000 3/49152 860.0 1.754 1.754 0.834 0.000 -0.000 0.000 3/49152 870.0 1.734 1.734 0.824 0.000 -0.000 0.000 3/49152 880.0 1.714 1.714 0.815 0.000 -0.000 0.000 3/49152 890.0 1.695 1.695 0.805 0.000 -0.000 0.000 3/49152 900.0 1.676 1.676 0.796 0.000 -0.000 0.000 3/49152 910.0 1.657 1.657 0.788 0.000 -0.000 0.000 3/49152 920.0 1.639 1.639 0.779 0.000 -0.000 0.000 3/49152 930.0 1.622 1.622 0.771 0.000 -0.000 0.000 3/49152 940.0 1.604 1.604 0.762 0.000 -0.000 0.000 3/49152 950.0 1.587 1.587 0.754 0.000 -0.000 0.000 3/49152 960.0 1.571 1.571 0.746 0.000 -0.000 0.000 3/49152 970.0 1.554 1.554 0.739 0.000 -0.000 0.000 3/49152 980.0 1.538 1.538 0.731 0.000 -0.000 0.000 3/49152 990.0 1.523 1.523 0.724 0.000 -0.000 0.000 3/49152 1000.0 1.508 1.508 0.717 0.000 -0.000 0.000 3/49152 Thermal conductivity related properties were written into "kappa-m161616.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:39:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|