----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:12:18]------------------------- 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 1.691925510878610 0.976833649154558 6.181639649999992 b -1.691925510878606 0.976833649154558 6.181639649999992 c 0.000000000000002 -1.953667298309120 6.181639649999992 Atomic positions (fractional): *1 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 *2 Tm 0.50000000000000 0.50000000000000 0.50000000000000 168.934 *3 O 0.22738031157516 0.22738031157516 0.22738031157516 15.999 4 O 0.77261968842484 0.77261968842484 0.77261968842484 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.383851021757216 0.000000000000000 0.000000000000000 b -1.691925510878608 2.930500947463678 0.000000000000000 c 0.000000000000000 0.000000000000000 18.544918949999996 Atomic positions (fractional): *1 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 1 2 K 0.66666666666667 0.33333333333333 0.33333333333333 39.098 > 1 3 K 0.33333333333333 0.66666666666667 0.66666666666667 39.098 > 1 *4 Tm 0.33333333333333 0.66666666666667 0.16666666666667 168.934 > 2 5 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 2 6 Tm 0.66666666666667 0.33333333333333 0.83333333333333 168.934 > 2 *7 O 0.00000000000000 0.00000000000000 0.22738031157516 15.999 > 3 8 O 0.66666666666667 0.33333333333333 0.10595302175818 15.999 > 4 9 O 0.66666666666667 0.33333333333333 0.56071364490849 15.999 > 3 10 O 0.33333333333333 0.66666666666667 0.43928635509151 15.999 > 4 11 O 0.33333333333333 0.66666666666667 0.89404697824182 15.999 > 3 12 O 0.00000000000000 0.00000000000000 0.77261968842484 15.999 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.151553065271647 0.000000000000000 0.000000000000000 b -5.075776532635824 8.791502842391035 0.000000000000000 c 0.000000000000000 0.000000000000000 18.544918949999996 Atomic positions (fractional): *1 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 1 2 K 0.33333333333333 0.00000000000000 0.00000000000000 39.098 > 1 3 K 0.66666666666667 0.00000000000000 0.00000000000000 39.098 > 1 4 K 0.00000000000000 0.33333333333333 0.00000000000000 39.098 > 1 5 K 0.33333333333333 0.33333333333333 0.00000000000000 39.098 > 1 6 K 0.66666666666667 0.33333333333333 0.00000000000000 39.098 > 1 7 K 0.00000000000000 0.66666666666667 0.00000000000000 39.098 > 1 8 K 0.33333333333333 0.66666666666667 0.00000000000000 39.098 > 1 9 K 0.66666666666667 0.66666666666667 0.00000000000000 39.098 > 1 10 K 0.22222222222222 0.11111111111111 0.33333333333333 39.098 > 1 11 K 0.55555555555556 0.11111111111111 0.33333333333333 39.098 > 1 12 K 0.88888888888889 0.11111111111111 0.33333333333333 39.098 > 1 13 K 0.22222222222222 0.44444444444444 0.33333333333333 39.098 > 1 14 K 0.55555555555556 0.44444444444444 0.33333333333333 39.098 > 1 15 K 0.88888888888889 0.44444444444444 0.33333333333333 39.098 > 1 16 K 0.22222222222222 0.77777777777778 0.33333333333333 39.098 > 1 17 K 0.55555555555556 0.77777777777778 0.33333333333333 39.098 > 1 18 K 0.88888888888889 0.77777777777778 0.33333333333333 39.098 > 1 19 K 0.11111111111111 0.22222222222222 0.66666666666667 39.098 > 1 20 K 0.44444444444444 0.22222222222222 0.66666666666667 39.098 > 1 21 K 0.77777777777778 0.22222222222222 0.66666666666667 39.098 > 1 22 K 0.11111111111111 0.55555555555556 0.66666666666667 39.098 > 1 23 K 0.44444444444444 0.55555555555556 0.66666666666667 39.098 > 1 24 K 0.77777777777778 0.55555555555556 0.66666666666667 39.098 > 1 25 K 0.11111111111111 0.88888888888889 0.66666666666667 39.098 > 1 26 K 0.44444444444444 0.88888888888889 0.66666666666667 39.098 > 1 27 K 0.77777777777778 0.88888888888889 0.66666666666667 39.098 > 1 *28 Tm 0.11111111111111 0.22222222222222 0.16666666666667 168.934 > 2 29 Tm 0.44444444444444 0.22222222222222 0.16666666666667 168.934 > 2 30 Tm 0.77777777777778 0.22222222222222 0.16666666666667 168.934 > 2 31 Tm 0.11111111111111 0.55555555555556 0.16666666666667 168.934 > 2 32 Tm 0.44444444444444 0.55555555555556 0.16666666666667 168.934 > 2 33 Tm 0.77777777777778 0.55555555555556 0.16666666666667 168.934 > 2 34 Tm 0.11111111111111 0.88888888888889 0.16666666666667 168.934 > 2 35 Tm 0.44444444444444 0.88888888888889 0.16666666666667 168.934 > 2 36 Tm 0.77777777777778 0.88888888888889 0.16666666666667 168.934 > 2 37 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 2 38 Tm 0.33333333333333 0.00000000000000 0.50000000000000 168.934 > 2 39 Tm 0.66666666666667 0.00000000000000 0.50000000000000 168.934 > 2 40 Tm 0.00000000000000 0.33333333333333 0.50000000000000 168.934 > 2 41 Tm 0.33333333333333 0.33333333333333 0.50000000000000 168.934 > 2 42 Tm 0.66666666666667 0.33333333333333 0.50000000000000 168.934 > 2 43 Tm 0.00000000000000 0.66666666666667 0.50000000000000 168.934 > 2 44 Tm 0.33333333333333 0.66666666666667 0.50000000000000 168.934 > 2 45 Tm 0.66666666666667 0.66666666666667 0.50000000000000 168.934 > 2 46 Tm 0.22222222222222 0.11111111111111 0.83333333333333 168.934 > 2 47 Tm 0.55555555555556 0.11111111111111 0.83333333333333 168.934 > 2 48 Tm 0.88888888888889 0.11111111111111 0.83333333333333 168.934 > 2 49 Tm 0.22222222222222 0.44444444444444 0.83333333333333 168.934 > 2 50 Tm 0.55555555555556 0.44444444444444 0.83333333333333 168.934 > 2 51 Tm 0.88888888888889 0.44444444444444 0.83333333333333 168.934 > 2 52 Tm 0.22222222222222 0.77777777777778 0.83333333333333 168.934 > 2 53 Tm 0.55555555555556 0.77777777777778 0.83333333333333 168.934 > 2 54 Tm 0.88888888888889 0.77777777777778 0.83333333333333 168.934 > 2 *55 O 0.00000000000000 0.00000000000000 0.22738031157516 15.999 > 3 56 O 0.33333333333333 0.00000000000000 0.22738031157516 15.999 > 3 57 O 0.66666666666667 0.00000000000000 0.22738031157516 15.999 > 3 58 O 0.00000000000000 0.33333333333333 0.22738031157516 15.999 > 3 59 O 0.33333333333333 0.33333333333333 0.22738031157516 15.999 > 3 60 O 0.66666666666667 0.33333333333333 0.22738031157516 15.999 > 3 61 O 0.00000000000000 0.66666666666667 0.22738031157516 15.999 > 3 62 O 0.33333333333333 0.66666666666667 0.22738031157516 15.999 > 3 63 O 0.66666666666667 0.66666666666667 0.22738031157516 15.999 > 3 64 O 0.22222222222222 0.11111111111111 0.10595302175818 15.999 > 4 65 O 0.55555555555556 0.11111111111111 0.10595302175818 15.999 > 4 66 O 0.88888888888889 0.11111111111111 0.10595302175818 15.999 > 4 67 O 0.22222222222222 0.44444444444444 0.10595302175818 15.999 > 4 68 O 0.55555555555556 0.44444444444444 0.10595302175818 15.999 > 4 69 O 0.88888888888889 0.44444444444444 0.10595302175818 15.999 > 4 70 O 0.22222222222222 0.77777777777778 0.10595302175818 15.999 > 4 71 O 0.55555555555556 0.77777777777778 0.10595302175818 15.999 > 4 72 O 0.88888888888889 0.77777777777778 0.10595302175818 15.999 > 4 73 O 0.22222222222222 0.11111111111111 0.56071364490849 15.999 > 3 74 O 0.55555555555556 0.11111111111111 0.56071364490849 15.999 > 3 75 O 0.88888888888889 0.11111111111111 0.56071364490849 15.999 > 3 76 O 0.22222222222222 0.44444444444444 0.56071364490849 15.999 > 3 77 O 0.55555555555556 0.44444444444444 0.56071364490849 15.999 > 3 78 O 0.88888888888889 0.44444444444444 0.56071364490849 15.999 > 3 79 O 0.22222222222222 0.77777777777778 0.56071364490849 15.999 > 3 80 O 0.55555555555556 0.77777777777778 0.56071364490849 15.999 > 3 81 O 0.88888888888889 0.77777777777778 0.56071364490849 15.999 > 3 82 O 0.11111111111111 0.22222222222222 0.43928635509151 15.999 > 4 83 O 0.44444444444444 0.22222222222222 0.43928635509151 15.999 > 4 84 O 0.77777777777778 0.22222222222222 0.43928635509151 15.999 > 4 85 O 0.11111111111111 0.55555555555556 0.43928635509151 15.999 > 4 86 O 0.44444444444444 0.55555555555556 0.43928635509151 15.999 > 4 87 O 0.77777777777778 0.55555555555556 0.43928635509151 15.999 > 4 88 O 0.11111111111111 0.88888888888889 0.43928635509151 15.999 > 4 89 O 0.44444444444444 0.88888888888889 0.43928635509151 15.999 > 4 90 O 0.77777777777778 0.88888888888889 0.43928635509151 15.999 > 4 91 O 0.11111111111111 0.22222222222222 0.89404697824182 15.999 > 3 92 O 0.44444444444444 0.22222222222222 0.89404697824182 15.999 > 3 93 O 0.77777777777778 0.22222222222222 0.89404697824182 15.999 > 3 94 O 0.11111111111111 0.55555555555556 0.89404697824182 15.999 > 3 95 O 0.44444444444444 0.55555555555556 0.89404697824182 15.999 > 3 96 O 0.77777777777778 0.55555555555556 0.89404697824182 15.999 > 3 97 O 0.11111111111111 0.88888888888889 0.89404697824182 15.999 > 3 98 O 0.44444444444444 0.88888888888889 0.89404697824182 15.999 > 3 99 O 0.77777777777778 0.88888888888889 0.89404697824182 15.999 > 3 100 O 0.00000000000000 0.00000000000000 0.77261968842484 15.999 > 4 101 O 0.33333333333333 0.00000000000000 0.77261968842484 15.999 > 4 102 O 0.66666666666667 0.00000000000000 0.77261968842484 15.999 > 4 103 O 0.00000000000000 0.33333333333333 0.77261968842484 15.999 > 4 104 O 0.33333333333333 0.33333333333333 0.77261968842484 15.999 > 4 105 O 0.66666666666667 0.33333333333333 0.77261968842484 15.999 > 4 106 O 0.00000000000000 0.66666666666667 0.77261968842484 15.999 > 4 107 O 0.33333333333333 0.66666666666667 0.77261968842484 15.999 > 4 108 O 0.66666666666667 0.66666666666667 0.77261968842484 15.999 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7853572 -0.0000000 0.0000000 0.0000000 3.7853572 0.0000000 0.0000000 0.0000000 3.2680483 -------------------------- Born effective charges -------------------------- 1 K 1.0377824 0.0000000 0.0000000 0.0000000 1.0377824 0.0000000 0.0000000 0.0000000 1.5843439 2 Tm 4.1421423 0.0000000 0.0000000 0.0000000 4.1421423 0.0000000 0.0000000 0.0000000 2.3180837 3 O -2.5899623 0.0000000 0.0000000 0.0000000 -2.5899623 0.0000000 0.0000000 0.0000000 -1.9512138 4 O -2.5899623 0.0000000 0.0000000 0.0000000 -2.5899623 0.0000000 0.0000000 0.0000000 -1.9512138 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 7 --- Eigsh_solver_block: 1 / 7 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 7 --- Block_size: 60 Use standard eigh solver. --- Eigsh_solver_block: 3 / 7 --- Block_size: 54 Use standard eigh solver. --- Eigsh_solver_block: 4 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 7 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (54, 51), data: True |-- (60, 60), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 80 / 80 - Time: 0.113 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.120 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 7 --- Eigsh_solver_block: 1 / 7 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 7 --- Block_size: 60 Use standard eigh solver. --- Eigsh_solver_block: 3 / 7 --- Block_size: 54 Use standard eigh solver. --- Eigsh_solver_block: 4 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 7 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (54, 51), data: True |-- (60, 60), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:12:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:12:22]------------------------- 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 1.691925510878610 0.976833649154558 6.181639649999992 b -1.691925510878606 0.976833649154558 6.181639649999992 c 0.000000000000002 -1.953667298309120 6.181639649999992 Atomic positions (fractional): 1 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 2 Tm 0.50000000000000 0.50000000000000 0.50000000000000 168.934 3 O 0.22738031157516 0.22738031157516 0.22738031157516 15.999 4 O 0.77261968842484 0.77261968842484 0.77261968842484 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.151553065271647 0.000000000000000 0.000000000000000 b -5.075776532635824 8.791502842391035 0.000000000000000 c 0.000000000000000 0.000000000000000 18.544918949999996 Atomic positions (fractional): 1 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 1 2 K 0.33333333333333 0.00000000000000 0.00000000000000 39.098 > 1 3 K 0.66666666666667 0.00000000000000 0.00000000000000 39.098 > 1 4 K 0.00000000000000 0.33333333333333 0.00000000000000 39.098 > 1 5 K 0.33333333333333 0.33333333333333 0.00000000000000 39.098 > 1 6 K 0.66666666666667 0.33333333333333 0.00000000000000 39.098 > 1 7 K 0.00000000000000 0.66666666666667 0.00000000000000 39.098 > 1 8 K 0.33333333333333 0.66666666666667 0.00000000000000 39.098 > 1 9 K 0.66666666666667 0.66666666666667 0.00000000000000 39.098 > 1 10 K 0.22222222222222 0.11111111111111 0.33333333333333 39.098 > 1 11 K 0.55555555555556 0.11111111111111 0.33333333333333 39.098 > 1 12 K 0.88888888888889 0.11111111111111 0.33333333333333 39.098 > 1 13 K 0.22222222222222 0.44444444444444 0.33333333333333 39.098 > 1 14 K 0.55555555555556 0.44444444444444 0.33333333333333 39.098 > 1 15 K 0.88888888888889 0.44444444444444 0.33333333333333 39.098 > 1 16 K 0.22222222222222 0.77777777777778 0.33333333333333 39.098 > 1 17 K 0.55555555555556 0.77777777777778 0.33333333333333 39.098 > 1 18 K 0.88888888888889 0.77777777777778 0.33333333333333 39.098 > 1 19 K 0.11111111111111 0.22222222222222 0.66666666666667 39.098 > 1 20 K 0.44444444444444 0.22222222222222 0.66666666666667 39.098 > 1 21 K 0.77777777777778 0.22222222222222 0.66666666666667 39.098 > 1 22 K 0.11111111111111 0.55555555555556 0.66666666666667 39.098 > 1 23 K 0.44444444444444 0.55555555555556 0.66666666666667 39.098 > 1 24 K 0.77777777777778 0.55555555555556 0.66666666666667 39.098 > 1 25 K 0.11111111111111 0.88888888888889 0.66666666666667 39.098 > 1 26 K 0.44444444444444 0.88888888888889 0.66666666666667 39.098 > 1 27 K 0.77777777777778 0.88888888888889 0.66666666666667 39.098 > 1 28 Tm 0.11111111111111 0.22222222222222 0.16666666666667 168.934 > 28 29 Tm 0.44444444444444 0.22222222222222 0.16666666666667 168.934 > 28 30 Tm 0.77777777777778 0.22222222222222 0.16666666666667 168.934 > 28 31 Tm 0.11111111111111 0.55555555555556 0.16666666666667 168.934 > 28 32 Tm 0.44444444444444 0.55555555555556 0.16666666666667 168.934 > 28 33 Tm 0.77777777777778 0.55555555555556 0.16666666666667 168.934 > 28 34 Tm 0.11111111111111 0.88888888888889 0.16666666666667 168.934 > 28 35 Tm 0.44444444444444 0.88888888888889 0.16666666666667 168.934 > 28 36 Tm 0.77777777777778 0.88888888888889 0.16666666666667 168.934 > 28 37 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 28 38 Tm 0.33333333333333 0.00000000000000 0.50000000000000 168.934 > 28 39 Tm 0.66666666666667 0.00000000000000 0.50000000000000 168.934 > 28 40 Tm 0.00000000000000 0.33333333333333 0.50000000000000 168.934 > 28 41 Tm 0.33333333333333 0.33333333333333 0.50000000000000 168.934 > 28 42 Tm 0.66666666666667 0.33333333333333 0.50000000000000 168.934 > 28 43 Tm 0.00000000000000 0.66666666666667 0.50000000000000 168.934 > 28 44 Tm 0.33333333333333 0.66666666666667 0.50000000000000 168.934 > 28 45 Tm 0.66666666666667 0.66666666666667 0.50000000000000 168.934 > 28 46 Tm 0.22222222222222 0.11111111111111 0.83333333333333 168.934 > 28 47 Tm 0.55555555555556 0.11111111111111 0.83333333333333 168.934 > 28 48 Tm 0.88888888888889 0.11111111111111 0.83333333333333 168.934 > 28 49 Tm 0.22222222222222 0.44444444444444 0.83333333333333 168.934 > 28 50 Tm 0.55555555555556 0.44444444444444 0.83333333333333 168.934 > 28 51 Tm 0.88888888888889 0.44444444444444 0.83333333333333 168.934 > 28 52 Tm 0.22222222222222 0.77777777777778 0.83333333333333 168.934 > 28 53 Tm 0.55555555555556 0.77777777777778 0.83333333333333 168.934 > 28 54 Tm 0.88888888888889 0.77777777777778 0.83333333333333 168.934 > 28 55 O 0.00000000000000 0.00000000000000 0.22738031157516 15.999 > 55 56 O 0.33333333333333 0.00000000000000 0.22738031157516 15.999 > 55 57 O 0.66666666666667 0.00000000000000 0.22738031157516 15.999 > 55 58 O 0.00000000000000 0.33333333333333 0.22738031157516 15.999 > 55 59 O 0.33333333333333 0.33333333333333 0.22738031157516 15.999 > 55 60 O 0.66666666666667 0.33333333333333 0.22738031157516 15.999 > 55 61 O 0.00000000000000 0.66666666666667 0.22738031157516 15.999 > 55 62 O 0.33333333333333 0.66666666666667 0.22738031157516 15.999 > 55 63 O 0.66666666666667 0.66666666666667 0.22738031157516 15.999 > 55 64 O 0.22222222222222 0.11111111111111 0.10595302175818 15.999 > 64 65 O 0.55555555555556 0.11111111111111 0.10595302175818 15.999 > 64 66 O 0.88888888888889 0.11111111111111 0.10595302175818 15.999 > 64 67 O 0.22222222222222 0.44444444444444 0.10595302175818 15.999 > 64 68 O 0.55555555555556 0.44444444444444 0.10595302175818 15.999 > 64 69 O 0.88888888888889 0.44444444444444 0.10595302175818 15.999 > 64 70 O 0.22222222222222 0.77777777777778 0.10595302175818 15.999 > 64 71 O 0.55555555555556 0.77777777777778 0.10595302175818 15.999 > 64 72 O 0.88888888888889 0.77777777777778 0.10595302175818 15.999 > 64 73 O 0.22222222222222 0.11111111111111 0.56071364490849 15.999 > 55 74 O 0.55555555555556 0.11111111111111 0.56071364490849 15.999 > 55 75 O 0.88888888888889 0.11111111111111 0.56071364490849 15.999 > 55 76 O 0.22222222222222 0.44444444444444 0.56071364490849 15.999 > 55 77 O 0.55555555555556 0.44444444444444 0.56071364490849 15.999 > 55 78 O 0.88888888888889 0.44444444444444 0.56071364490849 15.999 > 55 79 O 0.22222222222222 0.77777777777778 0.56071364490849 15.999 > 55 80 O 0.55555555555556 0.77777777777778 0.56071364490849 15.999 > 55 81 O 0.88888888888889 0.77777777777778 0.56071364490849 15.999 > 55 82 O 0.11111111111111 0.22222222222222 0.43928635509151 15.999 > 64 83 O 0.44444444444444 0.22222222222222 0.43928635509151 15.999 > 64 84 O 0.77777777777778 0.22222222222222 0.43928635509151 15.999 > 64 85 O 0.11111111111111 0.55555555555556 0.43928635509151 15.999 > 64 86 O 0.44444444444444 0.55555555555556 0.43928635509151 15.999 > 64 87 O 0.77777777777778 0.55555555555556 0.43928635509151 15.999 > 64 88 O 0.11111111111111 0.88888888888889 0.43928635509151 15.999 > 64 89 O 0.44444444444444 0.88888888888889 0.43928635509151 15.999 > 64 90 O 0.77777777777778 0.88888888888889 0.43928635509151 15.999 > 64 91 O 0.11111111111111 0.22222222222222 0.89404697824182 15.999 > 55 92 O 0.44444444444444 0.22222222222222 0.89404697824182 15.999 > 55 93 O 0.77777777777778 0.22222222222222 0.89404697824182 15.999 > 55 94 O 0.11111111111111 0.55555555555556 0.89404697824182 15.999 > 55 95 O 0.44444444444444 0.55555555555556 0.89404697824182 15.999 > 55 96 O 0.77777777777778 0.55555555555556 0.89404697824182 15.999 > 55 97 O 0.11111111111111 0.88888888888889 0.89404697824182 15.999 > 55 98 O 0.44444444444444 0.88888888888889 0.89404697824182 15.999 > 55 99 O 0.77777777777778 0.88888888888889 0.89404697824182 15.999 > 55 100 O 0.00000000000000 0.00000000000000 0.77261968842484 15.999 > 64 101 O 0.33333333333333 0.00000000000000 0.77261968842484 15.999 > 64 102 O 0.66666666666667 0.00000000000000 0.77261968842484 15.999 > 64 103 O 0.00000000000000 0.33333333333333 0.77261968842484 15.999 > 64 104 O 0.33333333333333 0.33333333333333 0.77261968842484 15.999 > 64 105 O 0.66666666666667 0.33333333333333 0.77261968842484 15.999 > 64 106 O 0.00000000000000 0.66666666666667 0.77261968842484 15.999 > 64 107 O 0.33333333333333 0.66666666666667 0.77261968842484 15.999 > 64 108 O 0.66666666666667 0.66666666666667 0.77261968842484 15.999 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7853572 -0.0000000 0.0000000 0.0000000 3.7853572 0.0000000 0.0000000 0.0000000 3.2680483 -------------------------- Born effective charges -------------------------- 1 K 1.0377824 0.0000000 0.0000000 0.0000000 1.0377824 0.0000000 0.0000000 0.0000000 1.5843439 2 Tm 4.1421423 0.0000000 0.0000000 0.0000000 4.1421423 0.0000000 0.0000000 0.0000000 2.3180837 3 O -2.5899623 0.0000000 0.0000000 0.0000000 -2.5899623 0.0000000 0.0000000 0.0000000 -1.9512138 4 O -2.5899623 0.0000000 0.0000000 0.0000000 -2.5899623 0.0000000 0.0000000 0.0000000 -1.9512138 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 28, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:12:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:12:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.691925510878610 0.976833649154558 6.181639649999992 b -1.691925510878606 0.976833649154558 6.181639649999992 c 0.000000000000002 -1.953667298309120 6.181639649999992 Atomic positions (fractional): 1 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 2 Tm 0.50000000000000 0.50000000000000 0.50000000000000 168.934 3 O 0.22738031157516 0.22738031157516 0.22738031157516 15.999 4 O 0.77261968842484 0.77261968842484 0.77261968842484 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.151553065271647 0.000000000000000 0.000000000000000 b -5.075776532635824 8.791502842391035 0.000000000000000 c 0.000000000000000 0.000000000000000 18.544918949999996 Atomic positions (fractional): 1 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 1 2 K 0.33333333333333 0.00000000000000 0.00000000000000 39.098 > 1 3 K 0.66666666666667 0.00000000000000 0.00000000000000 39.098 > 1 4 K 0.00000000000000 0.33333333333333 0.00000000000000 39.098 > 1 5 K 0.33333333333333 0.33333333333333 0.00000000000000 39.098 > 1 6 K 0.66666666666667 0.33333333333333 0.00000000000000 39.098 > 1 7 K 0.00000000000000 0.66666666666667 0.00000000000000 39.098 > 1 8 K 0.33333333333333 0.66666666666667 0.00000000000000 39.098 > 1 9 K 0.66666666666667 0.66666666666667 0.00000000000000 39.098 > 1 10 K 0.22222222222222 0.11111111111111 0.33333333333333 39.098 > 1 11 K 0.55555555555556 0.11111111111111 0.33333333333333 39.098 > 1 12 K 0.88888888888889 0.11111111111111 0.33333333333333 39.098 > 1 13 K 0.22222222222222 0.44444444444444 0.33333333333333 39.098 > 1 14 K 0.55555555555556 0.44444444444444 0.33333333333333 39.098 > 1 15 K 0.88888888888889 0.44444444444444 0.33333333333333 39.098 > 1 16 K 0.22222222222222 0.77777777777778 0.33333333333333 39.098 > 1 17 K 0.55555555555556 0.77777777777778 0.33333333333333 39.098 > 1 18 K 0.88888888888889 0.77777777777778 0.33333333333333 39.098 > 1 19 K 0.11111111111111 0.22222222222222 0.66666666666667 39.098 > 1 20 K 0.44444444444444 0.22222222222222 0.66666666666667 39.098 > 1 21 K 0.77777777777778 0.22222222222222 0.66666666666667 39.098 > 1 22 K 0.11111111111111 0.55555555555556 0.66666666666667 39.098 > 1 23 K 0.44444444444444 0.55555555555556 0.66666666666667 39.098 > 1 24 K 0.77777777777778 0.55555555555556 0.66666666666667 39.098 > 1 25 K 0.11111111111111 0.88888888888889 0.66666666666667 39.098 > 1 26 K 0.44444444444444 0.88888888888889 0.66666666666667 39.098 > 1 27 K 0.77777777777778 0.88888888888889 0.66666666666667 39.098 > 1 28 Tm 0.11111111111111 0.22222222222222 0.16666666666667 168.934 > 28 29 Tm 0.44444444444444 0.22222222222222 0.16666666666667 168.934 > 28 30 Tm 0.77777777777778 0.22222222222222 0.16666666666667 168.934 > 28 31 Tm 0.11111111111111 0.55555555555556 0.16666666666667 168.934 > 28 32 Tm 0.44444444444444 0.55555555555556 0.16666666666667 168.934 > 28 33 Tm 0.77777777777778 0.55555555555556 0.16666666666667 168.934 > 28 34 Tm 0.11111111111111 0.88888888888889 0.16666666666667 168.934 > 28 35 Tm 0.44444444444444 0.88888888888889 0.16666666666667 168.934 > 28 36 Tm 0.77777777777778 0.88888888888889 0.16666666666667 168.934 > 28 37 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 28 38 Tm 0.33333333333333 0.00000000000000 0.50000000000000 168.934 > 28 39 Tm 0.66666666666667 0.00000000000000 0.50000000000000 168.934 > 28 40 Tm 0.00000000000000 0.33333333333333 0.50000000000000 168.934 > 28 41 Tm 0.33333333333333 0.33333333333333 0.50000000000000 168.934 > 28 42 Tm 0.66666666666667 0.33333333333333 0.50000000000000 168.934 > 28 43 Tm 0.00000000000000 0.66666666666667 0.50000000000000 168.934 > 28 44 Tm 0.33333333333333 0.66666666666667 0.50000000000000 168.934 > 28 45 Tm 0.66666666666667 0.66666666666667 0.50000000000000 168.934 > 28 46 Tm 0.22222222222222 0.11111111111111 0.83333333333333 168.934 > 28 47 Tm 0.55555555555556 0.11111111111111 0.83333333333333 168.934 > 28 48 Tm 0.88888888888889 0.11111111111111 0.83333333333333 168.934 > 28 49 Tm 0.22222222222222 0.44444444444444 0.83333333333333 168.934 > 28 50 Tm 0.55555555555556 0.44444444444444 0.83333333333333 168.934 > 28 51 Tm 0.88888888888889 0.44444444444444 0.83333333333333 168.934 > 28 52 Tm 0.22222222222222 0.77777777777778 0.83333333333333 168.934 > 28 53 Tm 0.55555555555556 0.77777777777778 0.83333333333333 168.934 > 28 54 Tm 0.88888888888889 0.77777777777778 0.83333333333333 168.934 > 28 55 O 0.00000000000000 0.00000000000000 0.22738031157516 15.999 > 55 56 O 0.33333333333333 0.00000000000000 0.22738031157516 15.999 > 55 57 O 0.66666666666667 0.00000000000000 0.22738031157516 15.999 > 55 58 O 0.00000000000000 0.33333333333333 0.22738031157516 15.999 > 55 59 O 0.33333333333333 0.33333333333333 0.22738031157516 15.999 > 55 60 O 0.66666666666667 0.33333333333333 0.22738031157516 15.999 > 55 61 O 0.00000000000000 0.66666666666667 0.22738031157516 15.999 > 55 62 O 0.33333333333333 0.66666666666667 0.22738031157516 15.999 > 55 63 O 0.66666666666667 0.66666666666667 0.22738031157516 15.999 > 55 64 O 0.22222222222222 0.11111111111111 0.10595302175818 15.999 > 64 65 O 0.55555555555556 0.11111111111111 0.10595302175818 15.999 > 64 66 O 0.88888888888889 0.11111111111111 0.10595302175818 15.999 > 64 67 O 0.22222222222222 0.44444444444444 0.10595302175818 15.999 > 64 68 O 0.55555555555556 0.44444444444444 0.10595302175818 15.999 > 64 69 O 0.88888888888889 0.44444444444444 0.10595302175818 15.999 > 64 70 O 0.22222222222222 0.77777777777778 0.10595302175818 15.999 > 64 71 O 0.55555555555556 0.77777777777778 0.10595302175818 15.999 > 64 72 O 0.88888888888889 0.77777777777778 0.10595302175818 15.999 > 64 73 O 0.22222222222222 0.11111111111111 0.56071364490849 15.999 > 55 74 O 0.55555555555556 0.11111111111111 0.56071364490849 15.999 > 55 75 O 0.88888888888889 0.11111111111111 0.56071364490849 15.999 > 55 76 O 0.22222222222222 0.44444444444444 0.56071364490849 15.999 > 55 77 O 0.55555555555556 0.44444444444444 0.56071364490849 15.999 > 55 78 O 0.88888888888889 0.44444444444444 0.56071364490849 15.999 > 55 79 O 0.22222222222222 0.77777777777778 0.56071364490849 15.999 > 55 80 O 0.55555555555556 0.77777777777778 0.56071364490849 15.999 > 55 81 O 0.88888888888889 0.77777777777778 0.56071364490849 15.999 > 55 82 O 0.11111111111111 0.22222222222222 0.43928635509151 15.999 > 64 83 O 0.44444444444444 0.22222222222222 0.43928635509151 15.999 > 64 84 O 0.77777777777778 0.22222222222222 0.43928635509151 15.999 > 64 85 O 0.11111111111111 0.55555555555556 0.43928635509151 15.999 > 64 86 O 0.44444444444444 0.55555555555556 0.43928635509151 15.999 > 64 87 O 0.77777777777778 0.55555555555556 0.43928635509151 15.999 > 64 88 O 0.11111111111111 0.88888888888889 0.43928635509151 15.999 > 64 89 O 0.44444444444444 0.88888888888889 0.43928635509151 15.999 > 64 90 O 0.77777777777778 0.88888888888889 0.43928635509151 15.999 > 64 91 O 0.11111111111111 0.22222222222222 0.89404697824182 15.999 > 55 92 O 0.44444444444444 0.22222222222222 0.89404697824182 15.999 > 55 93 O 0.77777777777778 0.22222222222222 0.89404697824182 15.999 > 55 94 O 0.11111111111111 0.55555555555556 0.89404697824182 15.999 > 55 95 O 0.44444444444444 0.55555555555556 0.89404697824182 15.999 > 55 96 O 0.77777777777778 0.55555555555556 0.89404697824182 15.999 > 55 97 O 0.11111111111111 0.88888888888889 0.89404697824182 15.999 > 55 98 O 0.44444444444444 0.88888888888889 0.89404697824182 15.999 > 55 99 O 0.77777777777778 0.88888888888889 0.89404697824182 15.999 > 55 100 O 0.00000000000000 0.00000000000000 0.77261968842484 15.999 > 64 101 O 0.33333333333333 0.00000000000000 0.77261968842484 15.999 > 64 102 O 0.66666666666667 0.00000000000000 0.77261968842484 15.999 > 64 103 O 0.00000000000000 0.33333333333333 0.77261968842484 15.999 > 64 104 O 0.33333333333333 0.33333333333333 0.77261968842484 15.999 > 64 105 O 0.66666666666667 0.33333333333333 0.77261968842484 15.999 > 64 106 O 0.00000000000000 0.66666666666667 0.77261968842484 15.999 > 64 107 O 0.33333333333333 0.66666666666667 0.77261968842484 15.999 > 64 108 O 0.66666666666667 0.66666666666667 0.77261968842484 15.999 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7853572 -0.0000000 0.0000000 0.0000000 3.7853572 0.0000000 0.0000000 0.0000000 3.2680483 -------------------------- Born effective charges -------------------------- 1 K 1.0377824 0.0000000 0.0000000 0.0000000 1.0377824 0.0000000 0.0000000 0.0000000 1.5843439 2 Tm 4.1421423 0.0000000 0.0000000 0.0000000 4.1421423 0.0000000 0.0000000 0.0000000 2.3180837 3 O -2.5899623 0.0000000 0.0000000 0.0000000 -2.5899623 0.0000000 0.0000000 0.0000000 -1.9512138 4 O -2.5899623 0.0000000 0.0000000 0.0000000 -2.5899623 0.0000000 0.0000000 0.0000000 -1.9512138 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (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 ... [ 17 17 17 ] 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: 1.05, Number of G-points: 313, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/489) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.115 ( 0.000 0.000 0.000) 0.000 3.115 ( 0.000 0.000 0.000) 0.000 6.144 ( 0.000 0.000 0.000) 0.000 7.615 ( 0.000 0.000 0.000) 0.000 7.615 ( 0.000 0.000 0.000) 0.000 10.565 ( 0.000 0.000 0.000) 0.000 11.326 ( 0.000 0.000 0.000) 0.000 11.326 ( 0.000 0.000 0.000) 0.000 14.668 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/489) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 21.880 12.632 7.401) 26.326 0.631 ( 26.937 15.552 0.319) 31.105 1.153 ( 48.437 27.965 6.065) 56.258 3.135 ( 1.767 1.020 -0.688) 2.153 3.246 ( 10.454 6.036 0.193) 12.073 6.131 ( -2.000 -1.155 2.654) 3.518 7.671 ( 4.764 2.750 0.532) 5.526 10.253 ( -17.754 -10.251 -8.450) 22.174 11.294 ( -2.707 -1.563 -0.128) 3.128 11.541 ( 16.501 9.527 -18.464) 26.532 14.489 ( -14.207 -8.202 1.835) 16.507 15.614 ( 5.057 2.920 -8.546) 10.350 ======================= Grid point 2 (3/489) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 22.082 12.749 5.374) 26.058 1.244 ( 25.736 14.859 0.477) 29.722 2.271 ( 46.190 26.668 5.126) 53.581 3.190 ( 3.221 1.860 -1.289) 3.936 3.578 ( 17.389 10.040 0.624) 20.089 6.072 ( -3.570 -2.061 -0.029) 4.123 7.837 ( 9.369 5.409 0.830) 10.851 9.783 ( -20.415 -11.787 1.196) 23.604 11.206 ( -4.665 -2.693 -0.186) 5.389 11.851 ( 14.220 8.210 -18.917) 25.049 14.087 ( -20.630 -11.911 6.695) 24.744 15.675 ( 1.513 0.873 -6.013) 6.261 ======================= Grid point 3 (4/489) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 21.826 12.601 3.232) 25.409 1.819 ( 23.526 13.583 0.697) 27.174 3.272 ( 4.132 2.386 -1.741) 5.079 3.310 ( 41.910 24.197 3.509) 48.520 4.022 ( 20.020 11.558 1.130) 23.144 5.963 ( -5.639 -3.255 -1.300) 6.639 8.105 ( 13.320 7.690 0.767) 15.400 9.356 ( -16.051 -9.267 0.535) 18.542 11.087 ( -5.340 -3.083 -0.117) 6.168 12.052 ( 7.728 4.462 -17.892) 19.994 13.605 ( -23.219 -13.405 13.532) 30.032 15.637 ( -2.737 -1.580 -8.074) 8.671 ======================= Grid point 4 (5/489) ======================= q-point: ( 0.24 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 20.511 11.842 1.886) 23.758 2.332 ( 20.321 11.732 0.932) 23.483 3.366 ( 4.388 2.533 -2.022) 5.455 4.217 ( 35.242 20.347 1.213) 40.712 4.488 ( 19.410 11.207 1.135) 22.442 5.803 ( -7.771 -4.487 -1.064) 9.036 8.447 ( 15.705 9.067 0.365) 18.138 9.069 ( -8.001 -4.619 -1.907) 9.433 10.969 ( -4.570 -2.639 0.103) 5.278 12.076 ( -0.965 -0.557 -18.688) 18.721 13.113 ( -23.719 -13.694 20.770) 34.373 15.517 ( -4.469 -2.580 -10.192) 11.424 ======================= Grid point 5 (6/489) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 17.849 10.305 1.578) 20.670 2.762 ( 16.409 9.474 1.149) 18.982 3.457 ( 3.967 2.290 -2.142) 5.057 4.889 ( 17.909 10.340 2.080) 20.783 4.953 ( 24.657 14.236 -5.522) 29.003 5.611 ( -8.182 -4.724 3.105) 9.944 8.816 ( 15.561 8.984 -0.208) 17.969 8.987 ( 1.828 1.055 -4.190) 4.691 10.885 ( -2.630 -1.518 0.432) 3.067 11.888 ( -9.752 -5.630 -18.420) 21.589 12.636 ( -23.761 -13.718 23.088) 35.859 15.396 ( -2.659 -1.535 -9.812) 10.281 ======================= Grid point 6 (7/489) ======================= q-point: ( 0.35 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.914 ( 14.022 8.095 1.865) 16.298 3.097 ( 12.193 7.040 1.343) 14.143 3.531 ( 2.898 1.673 -2.132) 3.968 5.159 ( 2.601 1.502 -8.782) 9.281 5.327 ( 8.596 4.963 -3.197) 10.428 5.616 ( 10.866 6.273 10.569) 16.405 9.123 ( 10.996 6.349 -5.543) 13.854 9.145 ( 12.587 7.267 -0.673) 14.550 10.853 ( -0.306 -0.176 0.708) 0.791 11.540 ( -15.393 -8.887 -12.511) 21.736 12.147 ( -23.607 -13.629 16.542) 31.885 15.344 ( 0.432 0.250 -6.851) 6.870 ======================= Grid point 7 (8/489) ======================= q-point: ( 0.41 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.193 ( 9.299 5.369 1.891) 10.903 3.336 ( 8.009 4.624 1.496) 9.368 3.573 ( 1.234 0.712 -2.005) 2.460 5.028 ( -6.569 -3.792 -7.004) 10.324 5.536 ( 7.817 4.513 1.978) 9.241 5.919 ( 10.492 6.058 3.359) 12.572 9.380 ( 7.739 4.468 -0.730) 8.966 9.445 ( 17.851 10.306 -5.764) 21.403 10.868 ( 1.103 0.637 0.686) 1.447 11.101 ( -20.619 -11.904 -2.636) 23.954 11.693 ( -17.141 -9.896 5.835) 20.635 15.359 ( 1.801 1.040 -3.491) 4.063 ======================= Grid point 8 (9/489) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.347 ( 3.394 1.959 0.874) 4.015 3.478 ( 3.677 2.123 1.282) 4.435 3.574 ( -0.568 -0.328 -1.457) 1.598 4.894 ( -2.959 -1.708 -2.378) 4.163 5.667 ( 2.843 1.641 0.723) 3.362 6.092 ( 3.654 2.110 0.867) 4.308 9.497 ( 2.532 1.462 -0.311) 2.941 9.876 ( 18.505 10.684 -4.407) 21.817 10.597 ( -20.250 -11.691 2.782) 23.547 10.893 ( 0.689 0.398 0.283) 0.845 11.437 ( -5.538 -3.198 0.390) 6.407 15.387 ( 0.908 0.524 -1.003) 1.451 ======================= Grid point 18 (10/489) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -0.000 23.606 19.075) 30.350 0.670 ( -0.000 30.327 8.128) 31.398 1.148 ( -0.000 55.060 5.229) 55.307 3.136 ( 0.000 2.197 -0.325) 2.221 3.240 ( 0.000 11.868 -1.070) 11.917 6.140 ( -0.000 -3.943 4.289) 5.827 7.668 ( 0.000 5.346 -0.143) 5.348 10.165 ( 0.000 -12.018 -26.081) 28.716 11.294 ( 0.000 -3.122 -0.165) 3.127 11.531 ( 0.000 21.427 -18.445) 28.272 14.489 ( -0.000 -16.852 1.933) 16.963 15.566 ( 0.000 9.410 -16.633) 19.110 ======================= Grid point 19 (11/489) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 10.109 21.741 14.039) 27.785 1.132 ( 13.415 27.170 4.694) 30.662 1.980 ( 28.177 45.390 5.870) 53.746 3.176 ( 1.513 3.576 -0.985) 4.006 3.464 ( 9.607 15.197 -0.618) 17.990 6.091 ( -1.871 -3.736 0.226) 4.184 7.781 ( 5.121 7.945 0.394) 9.461 9.889 ( -8.630 -19.222 -3.918) 21.432 11.219 ( -2.775 -4.542 -0.720) 5.371 11.736 ( 5.964 18.707 -21.813) 29.348 14.214 ( -9.964 -20.318 5.310) 23.245 15.637 ( 2.511 4.305 -9.488) 10.717 ======================= Grid point 20 (12/489) ======================= q-point: ( 0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 15.072 19.053 8.797) 25.837 1.663 ( 16.499 23.514 2.745) 28.856 2.958 ( 33.629 36.620 4.581) 49.929 3.252 ( 2.455 5.194 -1.633) 5.973 3.843 ( 15.544 15.418 0.267) 21.895 6.000 ( -3.642 -4.485 -1.745) 6.035 8.003 ( 9.354 10.537 0.832) 14.115 9.505 ( -13.489 -15.265 1.032) 20.397 11.117 ( -3.105 -5.003 -0.611) 5.920 11.929 ( 6.238 10.536 -21.623) 24.849 13.810 ( -14.984 -20.833 11.386) 28.074 15.642 ( -1.588 0.367 -8.556) 8.709 ======================= Grid point 21 (13/489) ======================= q-point: ( 0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 16.509 16.643 4.878) 23.944 2.180 ( 16.334 20.422 2.182) 26.242 3.350 ( 2.542 6.637 -2.113) 7.415 3.878 ( 32.063 29.313 2.123) 43.495 4.286 ( 17.717 13.450 1.044) 22.269 5.863 ( -5.558 -5.508 -2.026) 8.083 8.314 ( 12.412 12.584 0.869) 17.697 9.167 ( -10.590 -8.789 -0.342) 13.766 11.014 ( -3.559 -3.335 -0.220) 4.882 12.000 ( 2.057 1.744 -21.007) 21.180 13.368 ( -17.301 -19.999 18.156) 32.077 15.543 ( -4.891 -1.816 -10.047) 11.321 ======================= Grid point 22 (14/489) ======================= q-point: ( 0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 16.190 13.370 2.683) 21.168 2.646 ( 13.972 18.330 1.913) 23.128 3.454 ( 1.836 7.681 -2.399) 8.254 4.650 ( 26.510 21.805 -1.817) 34.373 4.713 ( 16.722 10.215 0.960) 19.619 5.692 ( -6.624 -5.902 0.600) 8.892 8.673 ( 13.190 12.739 0.621) 18.348 8.988 ( -2.829 -1.137 -2.817) 4.152 10.932 ( -3.405 -0.582 0.173) 3.459 11.891 ( -4.650 -5.671 -20.284) 21.569 12.925 ( -18.955 -18.467 21.936) 34.373 15.401 ( -4.349 -2.333 -10.394) 11.506 ======================= Grid point 23 (15/489) ======================= q-point: ( 0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( 14.486 9.345 1.891) 17.342 3.039 ( 10.055 16.964 1.614) 19.786 3.547 ( 0.491 8.150 -2.543) 8.551 5.043 ( 10.963 4.635 -5.067) 12.936 5.182 ( 14.688 11.332 -6.029) 19.506 5.586 ( 0.842 -0.439 10.040) 10.085 8.959 ( 9.231 3.873 -2.163) 10.241 9.087 ( 8.575 13.415 -2.406) 16.102 10.887 ( -2.557 1.668 0.532) 3.099 11.620 ( -10.015 -9.831 -16.489) 21.653 12.462 ( -21.855 -16.422 18.806) 33.181 15.305 ( -0.427 -2.120 -8.005) 8.292 ======================= Grid point 24 (16/489) ======================= q-point: ( 0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.057 ( 11.627 5.436 1.540) 12.927 3.340 ( 5.201 15.392 1.326) 16.301 3.614 ( -1.335 8.031 -2.502) 8.517 5.057 ( -3.636 -3.557 -10.234) 11.428 5.430 ( 9.435 4.244 1.549) 10.460 5.806 ( 11.228 6.173 7.427) 14.810 9.198 ( 14.691 5.792 -3.735) 16.227 9.371 ( 7.017 14.329 -2.178) 16.103 10.872 ( -1.448 1.189 0.768) 2.025 11.265 ( -13.700 -11.284 -9.185) 19.985 11.975 ( -22.103 -11.016 10.811) 26.959 15.290 ( 3.206 -2.465 -4.348) 5.938 ======================= Grid point 25 (17/489) ======================= q-point: ( 0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.265 ( 7.339 1.819 0.528) 7.580 3.532 ( 0.094 12.863 1.015) 12.904 3.644 ( -3.331 7.675 -2.031) 8.610 4.920 ( -3.764 -2.726 -5.544) 7.234 5.600 ( 6.193 0.761 0.757) 6.285 6.031 ( 6.778 2.489 4.112) 8.309 9.502 ( 7.540 8.369 -0.405) 11.272 9.632 ( 13.880 10.792 -5.676) 18.476 10.817 ( -12.603 -9.051 2.614) 15.735 10.886 ( -6.351 -5.049 -2.555) 8.506 11.615 ( -14.117 0.142 2.833) 14.400 15.320 ( 4.217 -3.582 -1.353) 5.696 ======================= Grid point 26 (18/489) ======================= q-point: (-0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.336 ( 0.961 -2.256 -1.664) 2.963 3.599 ( -5.839 9.143 -0.384) 10.855 3.652 ( -3.821 8.141 0.243) 8.997 4.871 ( 1.148 0.460 -0.944) 1.555 5.655 ( 1.262 -2.724 -1.032) 3.175 6.107 ( 0.143 -1.703 2.581) 3.095 9.593 ( -4.424 7.591 -0.233) 8.789 9.933 ( 6.284 -4.755 -1.648) 8.051 10.492 ( -4.222 2.866 0.534) 5.131 10.856 ( 2.345 -3.562 0.219) 4.270 11.502 ( -5.077 8.157 0.073) 9.608 15.343 ( 3.146 -4.749 0.803) 5.753 ======================= Grid point 27 (19/489) ======================= q-point: (-0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( -5.282 -5.608 -3.097) 8.303 3.522 ( -11.304 6.360 -1.306) 13.036 3.663 ( -4.752 7.087 1.848) 8.731 4.962 ( 6.468 2.974 3.196) 7.804 5.583 ( -3.981 -5.555 -2.734) 7.361 6.017 ( -7.235 -5.229 1.108) 8.995 9.504 ( -10.036 -1.652 0.038) 10.171 9.683 ( -16.267 -7.333 4.883) 18.499 10.788 ( 15.314 6.329 -3.520) 16.940 10.906 ( 8.265 4.957 1.440) 9.744 11.591 ( 4.991 10.706 -2.037) 11.987 15.341 ( 1.763 -4.948 2.918) 6.009 ======================= Grid point 28 (20/489) ======================= q-point: (-0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( -10.192 -7.380 -2.935) 12.921 3.328 ( -15.971 3.210 -1.209) 16.335 3.635 ( -6.309 5.429 2.034) 8.568 5.144 ( 7.278 2.512 7.919) 11.046 5.403 ( -7.215 -6.324 -4.539) 10.614 5.759 ( -14.499 -7.787 -1.833) 16.560 9.231 ( -11.735 -9.808 3.135) 15.612 9.395 ( -16.379 0.421 2.800) 16.622 10.865 ( -0.267 1.992 -0.751) 2.145 11.339 ( 20.975 8.830 5.641) 23.447 11.873 ( 16.091 11.307 -10.132) 22.123 15.338 ( 1.708 -3.399 5.545) 6.724 ======================= Grid point 29 (21/489) ======================= q-point: (-0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( -15.066 -7.968 -2.004) 17.161 3.027 ( -19.789 -0.343 -0.922) 19.814 3.568 ( -7.323 3.761 1.910) 8.451 5.063 ( -13.101 -8.462 0.354) 15.600 5.264 ( -19.683 -8.930 9.243) 23.507 5.493 ( 5.828 2.001 -8.838) 10.774 8.979 ( -9.849 -6.841 1.926) 12.146 9.114 ( -14.503 -0.953 3.193) 14.881 10.882 ( -0.077 3.156 -0.636) 3.220 11.774 ( 16.215 5.359 15.763) 23.241 12.270 ( 22.380 9.814 -21.248) 32.383 15.382 ( 3.337 -0.431 8.004) 8.682 ======================= Grid point 30 (22/489) ======================= q-point: (-0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -19.909 -7.767 -1.095) 21.398 2.634 ( -22.911 -3.241 -0.649) 23.149 3.473 ( -7.550 2.202 1.665) 8.039 4.652 ( -31.059 -11.258 -0.291) 33.037 4.714 ( -20.522 -10.786 0.022) 23.183 5.689 ( 10.107 3.429 -0.166) 10.674 8.669 ( -17.705 -5.469 -0.167) 18.531 9.017 ( 1.523 1.195 3.152) 3.699 10.929 ( 2.373 2.764 -0.400) 3.665 12.073 ( 7.356 1.462 17.242) 18.803 12.714 ( 26.327 8.471 -21.744) 35.181 15.492 ( 4.904 2.016 8.513) 10.029 ======================= Grid point 31 (23/489) ======================= q-point: (-0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -23.682 -7.024 -0.839) 24.716 2.168 ( -25.886 -4.423 -0.278) 26.263 3.366 ( -6.978 0.920 1.293) 7.156 3.860 ( -42.643 -13.226 -1.327) 44.667 4.277 ( -20.552 -8.230 -1.074) 22.164 5.876 ( 7.911 2.185 0.751) 8.241 8.307 ( -17.178 -4.596 -0.459) 17.788 9.173 ( 11.923 4.180 0.934) 12.669 11.014 ( 4.823 1.570 -0.105) 5.073 12.164 ( -1.975 -1.217 12.190) 12.409 13.214 ( 27.963 7.187 -13.098) 31.704 15.622 ( 4.118 2.214 6.431) 7.951 ======================= Grid point 32 (24/489) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -25.805 -5.259 -1.018) 26.355 1.650 ( -28.815 -3.442 0.112) 29.020 2.927 ( -49.700 -10.379 -1.889) 50.808 3.263 ( -5.680 0.109 0.757) 5.731 3.840 ( -21.046 -5.113 -0.583) 21.666 6.010 ( 5.434 0.962 0.298) 5.527 7.996 ( -13.853 -2.653 -0.437) 14.111 9.498 ( 19.649 4.326 -0.530) 20.126 11.120 ( 5.991 0.360 0.104) 6.003 12.074 ( -9.987 -1.542 7.956) 12.861 13.727 ( 26.989 4.652 -5.292) 27.894 15.699 ( 0.813 0.744 3.158) 3.345 ======================= Grid point 33 (25/489) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -26.360 -0.000 0.000) 26.360 1.109 ( -31.010 -0.000 0.000) 31.010 1.952 ( -54.434 -0.000 0.000) 54.434 3.181 ( -3.840 -0.000 0.000) 3.840 3.467 ( -17.904 -0.000 0.000) 17.904 6.090 ( 3.288 0.000 -0.000) 3.288 7.779 ( -9.431 -0.000 0.000) 9.431 9.908 ( 24.007 0.000 -0.000) 24.007 11.223 ( 5.360 0.000 -0.000) 5.360 11.847 ( -16.422 -0.000 0.000) 16.422 14.187 ( 23.235 0.000 -0.000) 23.235 15.685 ( -2.995 -0.000 0.000) 2.995 ======================= Grid point 36 (26/489) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -0.000 23.614 16.602) 28.866 1.311 ( -0.000 28.563 7.009) 29.410 2.266 ( -0.000 52.897 4.832) 53.117 3.196 ( 0.000 3.938 -0.744) 4.007 3.556 ( 0.000 19.672 -1.677) 19.744 6.063 ( 0.000 -4.811 -0.989) 4.912 7.829 ( -0.000 10.788 -0.041) 10.788 9.736 ( 0.000 -19.706 -3.527) 20.019 11.204 ( 0.000 -5.462 -0.376) 5.475 11.818 ( 0.000 17.874 -21.054) 27.618 14.078 ( -0.000 -25.346 5.693) 25.978 15.634 ( 0.000 5.116 -9.363) 10.670 ======================= Grid point 37 (27/489) ======================= q-point: ( 0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 5.180 22.912 13.228) 26.958 1.705 ( 9.536 26.148 5.318) 28.336 2.952 ( 16.572 46.944 4.206) 49.961 3.259 ( 2.417 5.264 -1.149) 5.905 3.820 ( 7.171 20.199 -1.256) 21.471 5.990 ( -1.774 -5.548 -2.379) 6.292 7.997 ( 5.192 13.297 0.466) 14.283 9.498 ( -5.060 -17.666 0.761) 18.392 11.113 ( -2.825 -5.416 -0.850) 6.167 11.916 ( 1.249 11.723 -22.320) 25.242 13.782 ( -5.991 -26.478 9.757) 28.848 15.646 ( -0.632 1.979 -8.125) 8.386 ======================= Grid point 38 (28/489) ======================= q-point: ( 0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 9.358 20.206 8.665) 23.894 2.168 ( 12.603 23.965 3.968) 27.366 3.369 ( 3.425 7.425 -1.756) 8.364 3.741 ( 22.357 37.974 1.936) 44.109 4.178 ( 11.874 17.477 0.125) 21.129 5.875 ( -3.570 -6.346 -2.645) 7.747 8.271 ( 9.142 15.501 1.201) 18.036 9.232 ( -8.042 -11.651 1.065) 14.197 11.020 ( -1.798 -3.935 -0.899) 4.419 11.935 ( 0.183 3.042 -22.754) 22.957 13.423 ( -9.503 -25.453 15.366) 31.214 15.582 ( -4.289 -0.759 -8.572) 9.615 ======================= Grid point 39 (29/489) ======================= q-point: ( 0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 11.306 16.171 4.906) 20.332 2.635 ( 12.614 22.603 3.318) 26.096 3.505 ( 2.646 9.952 -2.300) 10.552 4.453 ( 21.097 24.684 -4.514) 32.783 4.575 ( 14.508 16.392 3.876) 22.231 5.729 ( -4.814 -6.528 -0.650) 8.137 8.615 ( 10.699 16.021 1.860) 19.354 9.031 ( -5.022 -3.270 -1.140) 6.100 10.971 ( -1.124 -0.525 -0.464) 1.324 11.829 ( -2.881 -5.478 -22.094) 22.945 13.048 ( -11.802 -23.383 19.393) 32.590 15.441 ( -6.308 -2.190 -9.300) 11.448 ======================= Grid point 40 (30/489) ======================= q-point: ( 0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 11.668 11.637 2.807) 16.716 3.069 ( 10.332 21.637 2.605) 24.118 3.638 ( 0.681 12.156 -2.857) 12.506 4.861 ( 13.500 6.331 -6.034) 16.086 5.053 ( 14.318 17.179 -1.184) 22.395 5.608 ( -2.157 -3.196 5.957) 7.096 8.878 ( 4.609 4.569 0.094) 6.490 9.087 ( 7.459 15.117 -1.406) 16.915 10.962 ( -1.906 3.628 -0.147) 4.100 11.596 ( -6.191 -10.990 -19.129) 22.914 12.658 ( -14.811 -20.644 18.625) 31.503 15.289 ( -4.159 -3.086 -8.334) 9.812 ======================= Grid point 41 (31/489) ======================= q-point: ( 0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( 10.673 7.337 1.681) 13.060 3.434 ( 6.203 20.391 1.911) 21.400 3.748 ( -1.947 13.563 -3.235) 14.079 5.006 ( 2.701 -1.767 -10.944) 11.410 5.327 ( 7.571 4.769 1.318) 9.044 5.714 ( 8.542 5.367 8.849) 13.419 9.027 ( 9.621 5.204 -2.439) 11.207 9.408 ( 7.610 18.211 -0.472) 19.742 10.956 ( -4.276 4.576 -0.661) 6.297 11.301 ( -7.909 -11.748 -12.806) 19.093 12.240 ( -17.685 -15.195 13.135) 26.761 15.198 ( 0.699 -4.543 -5.468) 7.144 ======================= Grid point 42 (32/489) ======================= q-point: ( 0.47 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( 8.249 3.347 0.406) 8.911 3.697 ( 0.806 18.489 1.487) 18.567 3.819 ( -4.736 14.062 -3.088) 15.156 4.928 ( -2.676 -2.867 -8.003) 8.913 5.489 ( 7.067 0.174 2.312) 7.438 5.937 ( 8.262 2.414 5.584) 10.260 9.306 ( 15.833 6.865 -2.739) 17.473 9.676 ( 2.926 16.241 -1.246) 16.549 10.874 ( -4.875 -3.119 -3.504) 6.766 11.014 ( -12.475 -6.629 -1.944) 14.260 11.877 ( -14.691 -3.602 5.676) 16.156 15.179 ( 4.607 -6.593 -2.291) 8.364 ======================= Grid point 43 (33/489) ======================= q-point: ( 0.53 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.273 ( 3.724 -0.660 -1.655) 4.129 3.841 ( -4.247 15.269 1.248) 15.897 3.846 ( -7.625 14.670 -1.972) 16.651 4.860 ( -0.518 -0.137 -3.849) 3.886 5.573 ( 3.878 -3.634 -0.016) 5.315 6.063 ( 4.012 -2.171 4.463) 6.383 9.658 ( 16.344 5.211 -1.485) 17.219 9.794 ( -4.196 8.423 -2.581) 9.758 10.717 ( -14.679 0.985 1.965) 14.843 10.771 ( 0.012 -5.709 -1.129) 5.819 11.712 ( -8.519 7.072 0.635) 11.090 15.196 ( 5.938 -8.235 0.203) 10.154 ======================= Grid point 44 (34/489) ======================= q-point: (-0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.255 ( -2.179 -3.827 -3.410) 5.570 3.810 ( -11.114 11.668 -1.973) 16.235 3.890 ( -7.967 14.461 2.468) 16.694 4.896 ( 4.298 2.197 -0.369) 4.841 5.548 ( -0.302 -6.764 -2.386) 7.179 6.057 ( -2.090 -5.216 3.795) 6.781 9.655 ( -10.588 -7.384 -1.276) 12.971 9.848 ( -2.733 3.952 2.306) 5.330 10.672 ( 3.966 13.333 -2.241) 14.090 10.806 ( 6.838 -0.907 1.984) 7.178 11.688 ( -3.854 9.249 -1.717) 10.166 15.217 ( 5.588 -8.356 2.233) 10.297 ======================= Grid point 45 (35/489) ======================= q-point: (-0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( -7.180 -5.217 -3.539) 9.555 3.669 ( -16.144 8.305 -1.636) 18.229 3.875 ( -10.136 12.136 2.662) 16.034 5.042 ( 8.648 2.821 2.773) 9.509 5.417 ( -4.424 -8.358 -4.403) 10.432 5.907 ( -9.646 -6.565 2.623) 11.959 9.349 ( -12.308 -10.284 1.794) 16.139 9.710 ( -15.588 3.242 2.176) 16.070 10.895 ( 2.021 8.817 -0.770) 9.078 11.061 ( 20.277 6.957 1.650) 21.501 11.764 ( 4.807 7.385 -5.195) 10.229 15.245 ( 5.249 -6.333 4.182) 9.228 ======================= Grid point 46 (36/489) ======================= q-point: (-0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.887 ( -11.489 -5.317 -2.571) 12.919 3.406 ( -20.809 4.541 -1.049) 21.324 3.800 ( -11.303 8.889 2.127) 14.536 5.166 ( -6.429 -7.218 4.327) 10.591 5.291 ( 8.249 1.054 -3.554) 9.044 5.603 ( -18.015 -6.632 -0.187) 19.198 9.076 ( -9.374 -7.105 2.536) 12.032 9.429 ( -19.135 0.960 1.618) 19.228 10.956 ( -3.051 7.075 -0.415) 7.716 11.525 ( 22.662 5.349 8.639) 24.835 11.967 ( 14.053 4.882 -13.380) 20.009 15.309 ( 5.863 -2.758 5.674) 8.613 ======================= Grid point 47 (37/489) ======================= q-point: (-0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( -16.117 -4.517 -1.303) 16.789 3.039 ( -24.247 1.345 -0.564) 24.291 3.680 ( -11.176 5.286 1.404) 12.443 4.892 ( -13.960 -7.359 -0.912) 15.807 5.120 ( -28.396 -6.936 2.504) 29.338 5.522 ( 11.907 2.384 -1.559) 12.243 8.884 ( -9.555 -3.458 0.913) 10.203 9.122 ( -14.112 -0.185 1.975) 14.251 10.958 ( -2.274 4.092 -0.492) 4.707 11.956 ( 15.018 2.073 18.239) 23.717 12.264 ( 23.193 3.757 -22.211) 32.332 15.427 ( 6.718 0.316 5.585) 8.742 ======================= Grid point 48 (38/489) ======================= q-point: (-0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -21.112 -2.853 -0.386) 21.307 2.600 ( -26.232 -0.384 -0.240) 26.236 3.534 ( -9.994 2.065 0.703) 10.229 4.479 ( -38.133 -4.937 0.103) 38.451 4.550 ( -18.210 -4.530 -0.612) 18.775 5.735 ( 10.389 1.152 0.137) 10.453 8.595 ( -18.864 -1.828 -0.175) 18.953 9.055 ( 3.993 0.821 1.213) 4.253 10.973 ( 1.184 1.371 -0.233) 1.827 12.165 ( 4.504 -0.233 7.913) 9.108 12.722 ( 29.659 2.847 -9.680) 31.328 15.566 ( 6.225 1.096 3.390) 7.172 ======================= Grid point 49 (39/489) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -25.038 -0.000 0.000) 25.038 2.128 ( -27.586 -0.000 0.000) 27.586 3.386 ( -8.060 -0.000 0.000) 8.060 3.715 ( -45.859 -0.000 0.000) 45.859 4.183 ( -20.930 -0.000 0.000) 20.930 5.900 ( 7.845 0.000 -0.000) 7.845 8.259 ( -17.718 -0.000 0.000) 17.718 9.223 ( 13.549 0.000 -0.000) 13.549 11.029 ( 4.428 0.000 -0.000) 4.428 12.190 ( -2.653 -0.000 0.000) 2.653 13.243 ( 29.628 0.000 -0.000) 29.628 15.668 ( 3.885 0.000 -0.000) 3.885 ======================= Grid point 54 (40/489) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( -0.000 22.218 13.054) 25.769 1.896 ( -0.000 25.575 5.478) 26.155 3.280 ( 0.000 4.920 -1.290) 5.087 3.317 ( -0.000 48.566 3.589) 48.699 3.975 ( 0.000 22.488 -1.730) 22.555 5.937 ( 0.000 -6.321 -2.992) 6.993 8.098 ( -0.000 15.737 0.297) 15.740 9.374 ( -0.000 -15.107 2.164) 15.261 11.079 ( 0.000 -6.386 -0.583) 6.412 11.934 ( 0.000 7.178 -24.348) 25.384 13.583 ( -0.000 -28.433 11.293) 30.594 15.649 ( 0.000 1.666 -7.005) 7.200 ======================= Grid point 55 (41/489) ======================= q-point: ( 0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 3.261 20.386 10.113) 22.989 2.236 ( 8.188 23.424 4.550) 25.227 3.362 ( 3.891 5.864 -1.584) 7.213 3.879 ( 9.438 42.230 0.855) 43.280 4.235 ( 4.493 21.588 -0.232) 22.051 5.846 ( -1.735 -6.824 -2.796) 7.576 8.314 ( 5.318 17.600 0.884) 18.407 9.223 ( -3.444 -10.297 2.705) 11.190 10.999 ( -1.315 -5.181 -0.941) 5.428 11.887 ( -0.734 0.004 -25.429) 25.439 13.309 ( -3.489 -27.761 14.758) 31.633 15.616 ( -2.652 -0.025 -6.632) 7.142 ======================= Grid point 56 (42/489) ======================= q-point: ( 0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 5.779 16.805 6.487) 18.918 2.659 ( 12.070 22.080 3.954) 25.472 3.516 ( 6.030 8.139 -1.911) 10.308 4.404 ( 10.426 23.921 -7.484) 27.146 4.589 ( 9.629 25.899 5.572) 28.188 5.729 ( -3.068 -6.381 -0.778) 7.123 8.628 ( 8.602 18.263 2.193) 20.306 9.082 ( -4.554 -3.188 0.859) 5.625 10.953 ( 1.039 -2.053 -1.098) 2.549 11.744 ( -2.550 -7.098 -24.149) 25.300 13.006 ( -6.016 -26.042 17.263) 31.818 15.508 ( -6.227 -1.524 -7.068) 9.542 ======================= Grid point 57 (43/489) ======================= q-point: ( 0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 7.530 12.532 3.762) 15.097 3.103 ( 12.194 21.229 3.322) 24.706 3.709 ( 5.105 11.689 -2.616) 13.021 4.702 ( 9.775 8.776 -8.040) 15.401 5.038 ( 9.510 21.322 1.597) 23.401 5.632 ( -2.170 -2.624 4.305) 5.489 8.889 ( 1.269 6.777 2.200) 7.237 9.116 ( 6.469 15.075 -0.388) 16.409 10.989 ( 2.835 2.786 -0.968) 4.091 11.509 ( -4.742 -12.075 -21.055) 24.731 12.686 ( -8.270 -23.996 17.030) 30.564 15.339 ( -7.575 -2.719 -7.151) 10.766 ======================= Grid point 58 (44/489) ======================= q-point: ( 0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( 8.199 8.310 1.987) 11.842 3.514 ( 9.654 20.202 2.619) 22.543 3.897 ( 1.618 15.440 -3.597) 15.936 4.871 ( 7.120 0.104 -9.677) 12.014 5.287 ( 3.605 6.115 1.245) 7.207 5.687 ( 4.011 6.135 7.747) 10.665 8.965 ( 3.325 5.996 -0.631) 6.885 9.458 ( 8.787 19.466 1.442) 21.406 11.070 ( -1.250 7.019 -2.354) 7.508 11.231 ( -3.847 -13.162 -15.144) 20.430 12.347 ( -10.394 -20.228 13.789) 26.596 15.168 ( -5.007 -4.516 -5.922) 8.974 ======================= Grid point 59 (45/489) ======================= q-point: ( 0.47 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.056 ( 7.497 4.337 0.435) 8.672 3.848 ( 4.991 18.869 1.982) 19.618 4.042 ( -2.776 17.553 -3.903) 18.195 4.893 ( 1.171 -2.055 -9.086) 9.388 5.390 ( 4.940 -0.322 4.533) 6.713 5.854 ( 5.597 3.292 5.233) 8.339 9.147 ( 9.756 8.023 -1.403) 12.709 9.773 ( 5.280 16.662 1.463) 17.539 10.894 ( -7.242 -10.640 -10.998) 16.930 11.167 ( -5.105 6.406 -0.260) 8.195 12.041 ( -9.242 -10.854 8.113) 16.403 15.050 ( 0.115 -7.312 -3.581) 8.142 ======================= Grid point 60 (46/489) ======================= q-point: ( 0.53 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.191 ( 5.006 0.670 -1.358) 5.230 4.063 ( -1.992 16.874 0.150) 16.992 4.133 ( -5.527 17.866 -1.317) 18.748 4.859 ( -0.657 0.899 -6.040) 6.142 5.465 ( 4.152 -3.970 2.545) 6.283 5.963 ( 5.211 -3.214 4.503) 7.600 9.434 ( 13.793 7.100 -1.665) 15.602 9.951 ( -1.789 9.860 0.495) 10.033 10.676 ( -1.413 -9.502 -5.400) 11.020 11.055 ( -14.906 7.819 2.010) 16.952 11.894 ( -5.325 2.136 1.867) 6.034 15.000 ( 4.856 -9.886 -1.046) 11.064 ======================= Grid point 61 (47/489) ======================= q-point: (-0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.227 ( 0.665 -2.175 -2.889) 3.677 4.112 ( -9.125 14.410 -2.364) 17.219 4.208 ( -7.398 17.159 3.019) 18.928 4.867 ( 1.108 3.154 -3.466) 4.815 5.458 ( 1.215 -7.326 -0.800) 7.469 6.000 ( 3.128 -6.803 4.630) 8.804 9.649 ( 2.921 -3.482 -1.944) 4.943 9.943 ( -2.917 6.360 0.537) 7.018 10.643 ( 6.147 -5.428 -0.286) 8.206 10.929 ( -11.019 16.683 1.657) 20.062 11.851 ( -5.571 5.942 -1.731) 8.327 15.008 ( 7.548 -10.375 1.109) 12.878 ======================= Grid point 62 (48/489) ======================= q-point: (-0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( -4.051 -3.384 -3.165) 6.154 4.025 ( -14.517 10.512 -2.047) 18.039 4.224 ( -11.272 15.681 3.830) 19.688 4.945 ( 5.310 3.035 -1.421) 6.279 5.363 ( -1.330 -9.618 -2.870) 10.125 5.957 ( -2.190 -6.708 3.946) 8.084 9.459 ( -11.039 -8.814 0.140) 14.127 9.955 ( -7.022 3.264 0.756) 7.781 10.799 ( 15.383 1.710 0.839) 15.500 11.023 ( -2.044 18.469 1.376) 18.633 11.797 ( -3.806 2.413 -4.173) 6.141 15.061 ( 8.510 -8.053 2.679) 12.018 ======================= Grid point 63 (49/489) ======================= q-point: (-0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( -8.146 -3.126 -2.290) 9.020 3.807 ( -19.251 5.785 -1.255) 20.141 4.144 ( -14.859 11.538 2.787) 19.018 5.102 ( 9.647 1.667 1.491) 9.902 5.213 ( -3.908 -8.371 -4.229) 10.160 5.803 ( -10.294 -4.833 2.361) 11.614 9.188 ( -10.717 -6.234 1.290) 12.465 9.763 ( -16.379 0.988 0.733) 16.425 11.133 ( -4.406 12.631 -1.081) 13.421 11.185 ( 21.782 4.422 4.966) 22.774 11.787 ( 5.451 -1.264 -6.798) 8.805 15.160 ( 8.819 -4.106 3.311) 10.276 ======================= Grid point 64 (50/489) ======================= q-point: (-0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( -12.096 -1.943 -1.014) 12.293 3.472 ( -23.156 2.033 -0.464) 23.250 3.969 ( -15.153 5.169 1.158) 16.052 5.025 ( -8.664 -4.900 -0.608) 9.972 5.319 ( 12.350 0.980 0.314) 12.393 5.508 ( -20.028 -2.590 0.171) 20.195 8.988 ( -7.532 -2.581 0.967) 8.020 9.446 ( -20.034 0.155 0.498) 20.041 11.093 ( -7.968 4.809 -0.152) 9.308 11.666 ( 25.894 2.803 8.587) 27.424 11.913 ( 12.114 -0.991 -10.630) 16.147 15.300 ( 8.846 -0.878 2.464) 9.225 ======================= Grid point 65 (51/489) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( -16.496 -0.000 0.000) 16.496 3.053 ( -25.624 -0.000 0.000) 25.624 3.748 ( -12.928 -0.000 0.000) 12.928 4.804 ( -13.738 -0.000 0.000) 13.738 5.056 ( -30.125 -0.000 0.000) 30.125 5.543 ( 12.275 0.000 -0.000) 12.275 8.852 ( -9.361 -0.000 0.000) 9.361 9.127 ( -13.663 -0.000 0.000) 13.663 11.005 ( -3.947 -0.000 0.000) 3.947 12.061 ( 8.808 0.000 -0.000) 8.808 12.198 ( 29.632 0.000 -0.000) 29.632 15.451 ( 8.063 0.000 -0.000) 8.063 ======================= Grid point 72 (52/489) ======================= q-point: ( 0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( -0.000 18.525 8.892) 20.549 2.401 ( -0.000 21.590 3.942) 21.947 3.371 ( 0.000 5.079 -1.890) 5.419 4.208 ( 0.000 36.319 -4.183) 36.559 4.438 ( -0.000 25.740 3.334) 25.955 5.784 ( 0.000 -6.623 -1.996) 6.918 8.451 ( -0.000 18.718 0.524) 18.725 9.179 ( -0.000 -5.939 3.735) 7.016 10.953 ( 0.000 -5.487 -0.586) 5.518 11.779 ( 0.000 -6.030 -27.551) 28.203 13.107 ( -0.000 -27.219 15.746) 31.446 15.623 ( 0.000 -0.041 -5.219) 5.219 ======================= Grid point 73 (53/489) ======================= q-point: ( 0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 1.827 15.405 6.262) 16.730 2.695 ( 8.425 19.659 3.382) 21.654 3.467 ( 5.692 5.641 -2.022) 8.265 4.494 ( 2.595 20.147 -10.277) 22.765 4.786 ( 3.838 31.215 6.627) 32.140 5.709 ( -1.409 -4.731 0.465) 4.958 8.694 ( 5.652 18.919 1.181) 19.780 9.132 ( -2.642 -0.394 2.575) 3.710 10.904 ( 0.617 -3.433 -0.737) 3.565 11.600 ( -0.513 -11.473 -25.850) 28.286 12.868 ( -2.569 -25.958 15.919) 30.559 15.571 ( -4.037 -0.637 -4.830) 6.327 ======================= Grid point 74 (54/489) ======================= q-point: ( 0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 3.658 11.656 3.750) 12.779 3.088 ( 13.006 18.087 2.886) 22.464 3.665 ( 9.713 7.856 -2.147) 12.676 4.659 ( 3.161 9.934 -10.831) 15.033 5.154 ( 3.742 22.150 3.175) 22.687 5.668 ( -1.344 1.646 4.846) 5.291 8.968 ( 1.721 11.343 3.016) 11.863 9.159 ( 4.167 12.385 -0.324) 13.071 10.926 ( 4.581 -0.063 -0.987) 4.686 11.374 ( -1.989 -14.033 -21.658) 25.884 12.599 ( -4.673 -24.747 14.675) 29.149 15.438 ( -7.992 -1.472 -4.991) 9.536 ======================= Grid point 75 (55/489) ======================= q-point: ( 0.41 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( 5.228 7.987 1.884) 9.730 3.504 ( 13.464 16.422 2.384) 21.369 3.933 ( 9.809 12.207 -2.876) 15.922 4.742 ( 4.012 1.460 -10.189) 11.048 5.331 ( -0.346 6.649 2.405) 7.079 5.753 ( 0.672 10.796 6.564) 12.653 9.024 ( -1.796 7.852 0.485) 8.069 9.492 ( 10.318 18.835 1.786) 21.550 11.049 ( 7.417 -0.597 -3.908) 8.405 11.125 ( -3.443 -8.929 -14.625) 17.478 12.308 ( -6.014 -22.680 12.423) 26.550 15.244 ( -9.588 -2.846 -4.892) 11.133 ======================= Grid point 76 (56/489) ======================= q-point: ( 0.47 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( 5.784 4.513 0.383) 7.346 3.886 ( 11.249 15.131 1.817) 18.942 4.199 ( 4.301 16.414 -3.888) 17.408 4.784 ( 5.239 -1.867 -8.341) 10.025 5.359 ( -0.195 -0.235 5.179) 5.188 5.874 ( -0.487 7.315 4.282) 8.490 9.123 ( 3.251 9.831 -0.300) 10.359 9.833 ( 7.261 15.439 2.795) 17.289 10.840 ( -5.204 -13.418 -12.818) 19.273 11.264 ( 5.091 10.504 -1.862) 11.820 12.037 ( -4.627 -17.533 9.454) 20.450 15.036 ( -7.508 -5.330 -4.019) 10.046 ======================= Grid point 77 (57/489) ======================= q-point: ( 0.53 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.110 ( 4.953 1.442 -0.996) 5.254 4.201 ( 6.384 15.347 0.796) 16.641 4.359 ( -2.184 14.144 -2.650) 14.555 4.848 ( 3.236 3.786 -7.165) 8.726 5.374 ( 2.788 -4.455 5.885) 7.890 5.900 ( -1.022 -1.301 3.104) 3.518 9.326 ( 8.167 10.053 -0.366) 12.958 10.048 ( 1.850 8.675 2.647) 9.256 10.593 ( -4.012 -11.569 -8.306) 14.796 11.364 ( -7.358 11.746 -0.163) 13.861 11.917 ( 2.254 -5.387 4.256) 7.226 14.868 ( -2.134 -8.446 -2.359) 9.025 ======================= Grid point 78 (58/489) ======================= q-point: ( 0.59 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.175 ( 2.517 -0.821 -2.015) 3.327 4.377 ( -4.473 14.330 -3.135) 15.335 4.448 ( -0.980 12.080 3.577) 12.636 4.901 ( -0.695 6.444 -5.699) 8.631 5.383 ( 0.546 -4.369 2.033) 4.850 5.865 ( 3.000 -9.134 3.938) 10.389 9.559 ( 7.004 5.753 -0.739) 9.094 10.064 ( -5.471 2.227 0.728) 5.952 10.474 ( 4.545 -8.022 -2.525) 9.560 11.311 ( -11.619 14.813 1.951) 18.927 11.951 ( -0.413 2.473 -0.839) 2.644 14.790 ( 4.473 -9.853 -0.362) 10.827 ======================= Grid point 79 (59/489) ======================= q-point: (-0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( -1.087 -1.761 -2.123) 2.965 4.358 ( -11.246 10.512 -2.232) 15.555 4.530 ( -5.042 11.446 4.811) 13.400 4.940 ( 0.141 6.014 -4.010) 7.230 5.288 ( -3.702 -7.959 -1.597) 8.922 5.867 ( 5.251 -8.300 3.929) 10.578 9.560 ( -7.701 -3.562 -0.646) 8.510 10.042 ( -0.753 3.293 0.047) 3.378 10.557 ( 12.002 -3.104 0.399) 12.404 11.317 ( -7.366 18.209 2.754) 19.834 11.892 ( -6.857 -0.678 -3.586) 7.768 14.825 ( 9.280 -7.620 1.103) 12.058 ======================= Grid point 80 (60/489) ======================= q-point: (-0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( -4.861 -1.337 -1.264) 5.197 4.176 ( -17.316 4.591 -0.981) 17.941 4.513 ( -11.975 8.663 3.292) 15.142 4.999 ( 2.682 3.963 -2.910) 5.601 5.152 ( 0.015 -8.924 -0.718) 8.953 5.865 ( -0.744 -3.452 1.877) 3.999 9.336 ( -11.640 -3.234 0.164) 12.082 9.990 ( -8.406 0.498 0.075) 8.421 10.833 ( 19.781 0.859 0.577) 19.808 11.413 ( -5.499 17.161 3.860) 18.429 11.708 ( -4.862 -8.384 -5.240) 11.018 14.954 ( 10.915 -3.327 1.273) 11.482 ======================= Grid point 81 (61/489) ======================= q-point: (-0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.968 ( -8.436 -0.000 0.000) 8.436 3.864 ( -20.545 -0.000 0.000) 20.545 4.291 ( -17.450 -0.000 0.000) 17.450 5.095 ( -2.746 -0.000 0.000) 2.746 5.124 ( 9.873 0.000 -0.000) 9.873 5.760 ( -10.159 -0.000 0.000) 10.159 9.128 ( -10.115 -0.000 0.000) 10.115 9.772 ( -16.347 -0.000 0.000) 16.347 11.211 ( 17.826 0.000 -0.000) 17.826 11.346 ( -6.548 -0.000 0.000) 6.548 11.705 ( 9.307 0.000 -0.000) 9.307 15.129 ( 10.420 0.000 -0.000) 10.420 ======================= Grid point 90 (62/489) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( -0.000 12.892 4.543) 13.669 2.809 ( -0.000 16.975 2.711) 17.190 3.455 ( 0.000 4.585 -2.352) 5.153 4.614 ( 0.000 14.079 -12.273) 18.677 5.083 ( -0.000 28.348 5.860) 28.947 5.699 ( -0.000 0.151 3.290) 3.293 8.830 ( -0.000 18.019 0.202) 18.021 9.180 ( -0.000 3.642 2.561) 4.452 10.865 ( 0.000 -2.686 -0.133) 2.690 11.382 ( 0.000 -15.476 -24.426) 28.916 12.682 ( -0.000 -25.170 14.112) 28.856 15.592 ( 0.000 -0.076 -3.453) 3.454 ======================= Grid point 91 (63/489) ======================= q-point: ( 0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 0.931 9.588 2.499) 9.952 3.060 ( 9.102 14.736 2.162) 17.455 3.560 ( 7.556 4.926 -2.273) 9.302 4.684 ( 0.358 6.980 -12.836) 14.615 5.337 ( 0.049 16.503 3.645) 16.900 5.759 ( -0.435 10.540 6.480) 12.381 9.053 ( 4.582 15.130 1.076) 15.845 9.230 ( -0.214 8.891 -0.179) 8.895 10.859 ( 1.706 -0.879 -0.154) 1.925 11.159 ( 1.097 -16.114 -19.633) 25.423 12.454 ( -2.205 -24.385 11.774) 27.168 15.537 ( -5.211 -0.104 -3.030) 6.029 ======================= Grid point 92 (64/489) ======================= q-point: ( 0.41 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( 2.645 6.520 0.965) 7.102 3.409 ( 13.963 12.314 1.627) 18.688 3.802 ( 13.911 7.061 -2.108) 15.742 4.691 ( 0.419 1.229 -11.139) 11.214 5.432 ( -2.442 6.120 3.362) 7.398 5.915 ( -1.027 15.852 6.154) 17.036 9.167 ( -3.634 9.512 0.092) 10.183 9.478 ( 11.724 15.910 -0.190) 19.764 10.882 ( 3.237 -8.375 -6.615) 11.153 11.013 ( 3.726 -4.707 -8.261) 10.212 12.199 ( -3.598 -22.465 9.394) 24.614 15.390 ( -9.955 -0.777 -3.079) 10.449 ======================= Grid point 93 (65/489) ======================= q-point: ( 0.47 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( 3.951 3.825 -0.092) 5.500 3.781 ( 15.148 10.095 1.182) 18.243 4.153 ( 15.763 10.944 -2.379) 19.336 4.670 ( 1.765 -1.888 -7.984) 8.392 5.422 ( -4.163 1.614 4.144) 6.091 6.030 ( -4.142 11.446 4.043) 12.826 9.213 ( -1.428 10.512 -0.832) 10.641 9.835 ( 10.381 13.093 1.568) 16.783 10.739 ( -2.004 -11.101 -10.186) 15.199 11.166 ( 12.550 3.819 -1.588) 13.214 11.954 ( -3.674 -17.932 7.434) 19.756 15.167 ( -12.416 -2.284 -3.030) 12.983 ======================= Grid point 94 (66/489) ======================= q-point: ( 0.53 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( 4.225 1.564 -0.818) 4.579 4.140 ( 14.369 9.335 0.687) 17.149 4.463 ( 4.081 10.309 -2.744) 11.422 4.732 ( 11.278 2.317 -5.643) 12.823 5.354 ( -4.076 -3.317 5.352) 7.501 6.013 ( -8.156 4.304 2.293) 9.503 9.336 ( 3.301 10.862 -0.333) 11.358 10.071 ( 5.084 5.596 2.322) 7.908 10.549 ( -5.710 -7.988 -7.381) 12.284 11.456 ( 11.860 8.805 -2.958) 15.064 11.789 ( 0.545 -11.234 6.548) 13.014 14.913 ( -11.129 -4.540 -2.474) 12.271 ======================= Grid point 95 (67/489) ======================= q-point: ( 0.59 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.114 ( 3.326 0.010 -1.177) 3.528 4.465 ( 11.149 10.336 -0.436) 15.210 4.519 ( -0.994 3.340 -0.301) 3.498 4.971 ( 2.345 11.195 -6.993) 13.406 5.298 ( 5.072 -6.480 6.537) 10.509 5.856 ( -10.332 -3.831 1.623) 11.139 9.524 ( 5.770 8.786 0.084) 10.512 10.154 ( -0.048 1.034 2.361) 2.578 10.351 ( -3.842 -7.816 -4.839) 9.964 11.591 ( -5.352 9.505 0.260) 10.911 11.870 ( 11.169 -1.528 1.364) 11.355 14.704 ( -5.067 -6.113 -1.281) 8.042 ======================= Grid point 96 (68/489) ======================= q-point: (-0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( 1.268 -0.537 -0.929) 1.661 4.527 ( -1.237 2.831 -0.574) 3.143 4.717 ( 1.364 12.463 1.629) 12.642 4.925 ( -2.407 -4.520 -2.550) 5.721 5.416 ( -5.666 8.879 -1.483) 10.637 5.660 ( 3.815 -12.828 3.385) 13.805 9.638 ( -1.516 2.085 -0.181) 2.585 10.103 ( -4.403 1.723 0.205) 4.732 10.329 ( 9.124 -4.659 -0.661) 10.266 11.582 ( -5.673 8.515 1.707) 10.373 11.964 ( -1.219 -0.251 -1.508) 1.955 14.637 ( 4.117 -4.386 -0.054) 6.016 ======================= Grid point 97 (69/489) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.141 ( -1.630 -0.000 0.000) 1.630 4.462 ( -10.921 -0.000 0.000) 10.921 4.679 ( -5.176 -0.000 0.000) 5.176 4.999 ( 7.967 0.000 -0.000) 7.967 5.186 ( -16.016 -0.000 0.000) 16.016 5.779 ( 8.451 0.000 -0.000) 8.451 9.520 ( -10.505 -0.000 0.000) 10.505 10.075 ( -1.854 -0.000 0.000) 1.854 10.527 ( 15.426 0.000 -0.000) 15.426 11.570 ( -1.956 -0.000 0.000) 1.956 11.823 ( -12.179 -0.000 0.000) 12.179 14.747 ( 10.191 0.000 -0.000) 10.191 ======================= Grid point 108 (70/489) ======================= q-point: ( 0.35 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( -0.000 6.830 0.631) 6.859 3.114 ( -0.000 11.941 1.815) 12.078 3.524 ( 0.000 3.776 -2.403) 4.475 4.688 ( 0.000 2.417 -12.627) 12.856 5.478 ( -0.000 9.145 3.489) 9.788 5.932 ( -0.000 17.631 6.906) 18.935 9.148 ( 0.000 13.301 -0.620) 13.315 9.325 ( 0.000 9.328 -1.671) 9.477 10.852 ( -0.000 1.131 0.684) 1.322 10.921 ( 0.000 -16.290 -14.850) 22.043 12.262 ( -0.000 -23.887 8.821) 25.464 15.581 ( 0.000 0.660 -1.924) 2.034 ======================= Grid point 109 (71/489) ======================= q-point: ( 0.41 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( 0.874 4.340 -0.533) 4.459 3.311 ( 9.224 9.224 1.239) 13.103 3.636 ( 9.398 4.021 -2.011) 10.418 4.659 ( -0.019 -0.546 -10.275) 10.289 5.544 ( -2.064 5.542 3.195) 6.722 6.123 ( -1.190 16.814 5.653) 17.779 9.300 ( 0.961 9.848 -0.831) 9.930 9.435 ( 5.719 10.773 -3.973) 12.828 10.731 ( 0.162 -11.812 -7.261) 13.867 10.906 ( 3.410 0.970 -0.743) 3.623 12.041 ( -1.177 -21.915 6.217) 22.810 15.529 ( -6.259 0.624 -1.597) 6.489 ======================= Grid point 110 (72/489) ======================= q-point: ( 0.47 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.921 ( 2.446 2.513 -0.907) 3.622 3.603 ( 14.350 6.457 0.691) 15.751 3.917 ( 17.755 5.385 -1.444) 18.610 4.620 ( 0.053 -1.550 -7.016) 7.185 5.539 ( -4.600 3.015 2.832) 6.186 6.240 ( -4.187 12.009 3.814) 13.277 9.351 ( -2.928 9.012 -2.870) 9.901 9.728 ( 14.250 8.538 -1.560) 16.685 10.637 ( 1.097 -5.821 -4.122) 7.217 10.987 ( 6.555 -1.565 -0.075) 6.739 11.843 ( -0.808 -16.110 4.134) 16.652 15.367 ( -11.853 -0.106 -1.607) 11.962 ======================= Grid point 111 (73/489) ======================= q-point: ( 0.53 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( 3.405 1.138 -0.839) 3.687 3.932 ( 16.697 4.642 0.361) 17.334 4.324 ( 21.179 6.802 -1.043) 22.269 4.592 ( 1.152 -1.741 -4.184) 4.676 5.462 ( -7.189 0.287 2.605) 7.652 6.230 ( -8.683 6.263 2.050) 10.900 9.404 ( 0.280 8.388 -1.830) 8.589 9.991 ( 8.777 1.610 0.023) 8.924 10.591 ( -4.503 1.152 -2.957) 5.509 11.154 ( 18.653 -5.014 -0.221) 19.316 11.736 ( 0.094 -6.260 2.784) 6.852 15.117 ( -15.089 -1.240 -1.472) 15.211 ======================= Grid point 112 (74/489) ======================= q-point: ( 0.59 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.053 ( 3.491 0.242 -0.549) 3.543 4.269 ( 17.093 3.212 0.144) 17.393 4.548 ( -0.299 1.076 -0.881) 1.423 4.806 ( 22.909 4.844 -2.530) 23.552 5.311 ( -9.618 -2.671 2.631) 10.323 6.078 ( -13.481 1.348 0.773) 13.571 9.515 ( 4.140 5.817 -0.351) 7.148 10.087 ( 4.514 -2.334 0.366) 5.095 10.450 ( -10.518 -0.427 -1.675) 10.659 11.518 ( 23.719 -0.462 -1.187) 23.753 11.717 ( -0.534 0.078 2.242) 2.306 14.835 ( -14.008 -1.833 -0.867) 14.154 ======================= Grid point 113 (75/489) ======================= q-point: (-0.35 -0.65 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.109 ( 2.787 0.000 -0.000) 2.787 4.544 ( -0.321 -0.000 0.000) 0.321 4.576 ( 15.658 0.000 -0.000) 15.658 5.092 ( -13.002 -0.000 0.000) 13.002 5.235 ( 21.590 0.000 -0.000) 21.590 5.811 ( -17.205 -0.000 0.000) 17.205 9.627 ( 4.204 0.000 -0.000) 4.204 10.161 ( 6.224 0.000 -0.000) 6.224 10.250 ( -10.445 -0.000 0.000) 10.445 11.696 ( -2.937 -0.000 0.000) 2.937 11.860 ( 13.560 0.000 -0.000) 13.560 14.634 ( -6.532 -0.000 0.000) 6.532 ======================= Grid point 127 (76/489) ======================= q-point: ( 0.41 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( 0.000 2.244 -1.611) 2.762 3.310 ( -0.000 6.674 1.030) 6.753 3.577 ( 0.000 2.842 -1.781) 3.354 4.618 ( 0.000 -1.539 -7.927) 8.075 5.623 ( -0.000 4.384 2.449) 5.022 6.308 ( -0.000 14.041 4.521) 14.751 9.346 ( 0.000 7.061 -1.068) 7.141 9.478 ( 0.000 7.444 -7.316) 10.437 10.609 ( 0.000 -8.046 -2.332) 8.377 10.907 ( -0.000 3.237 1.081) 3.413 11.851 ( -0.000 -20.247 3.628) 20.570 15.591 ( 0.000 1.027 -0.853) 1.335 ======================= Grid point 128 (77/489) ======================= q-point: ( 0.47 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( 1.265 1.093 -1.457) 2.217 3.448 ( 8.907 4.060 0.510) 9.802 3.694 ( 10.870 2.584 -1.107) 11.228 4.583 ( 0.167 -1.427 -5.003) 5.205 5.642 ( -2.759 2.711 1.683) 4.218 6.419 ( -2.428 9.351 2.943) 10.099 9.447 ( 0.820 5.949 -2.619) 6.551 9.552 ( 8.655 3.413 -5.015) 10.570 10.569 ( 1.593 -1.731 1.208) 2.645 10.935 ( -0.530 0.387 0.550) 0.856 11.689 ( 1.499 -14.427 1.793) 14.615 15.536 ( -7.023 0.677 -0.639) 7.084 ======================= Grid point 129 (78/489) ======================= q-point: ( 0.53 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.941 ( 2.596 0.478 -0.702) 2.732 3.687 ( 14.571 1.923 0.159) 14.698 3.989 ( 19.927 2.064 -0.467) 20.039 4.564 ( 0.192 -0.771 -2.253) 2.389 5.591 ( -5.707 0.982 0.981) 5.873 6.421 ( -6.069 4.214 1.310) 7.504 9.468 ( -1.152 3.907 -2.442) 4.749 9.796 ( 14.272 0.540 -0.881) 14.310 10.657 ( 4.789 7.244 0.865) 8.727 10.877 ( 0.277 -8.975 -0.089) 8.980 11.647 ( 3.959 -4.718 0.808) 6.212 15.361 ( -13.051 0.061 -0.493) 13.061 ======================= Grid point 130 (79/489) ======================= q-point: (-0.41 -0.59 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.994 ( 3.286 0.000 -0.000) 3.286 3.979 ( 17.355 0.000 -0.000) 17.355 4.394 ( 24.576 0.000 -0.000) 24.576 4.558 ( -0.166 -0.000 0.000) 0.166 5.472 ( -8.562 -0.000 0.000) 8.562 6.301 ( -10.330 -0.000 0.000) 10.330 9.490 ( 1.738 0.000 -0.000) 1.738 9.982 ( 7.139 0.000 -0.000) 7.139 10.638 ( -10.433 -0.000 0.000) 10.433 11.060 ( 24.769 0.000 -0.000) 24.769 11.697 ( 2.990 0.000 -0.000) 2.990 15.099 ( -16.208 -0.000 0.000) 16.208 ======================= Grid point 146 (80/489) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 0.000 0.282 -1.048) 1.085 3.399 ( -0.000 1.986 0.292) 2.008 3.612 ( 0.000 1.195 -0.616) 1.345 4.558 ( 0.000 -0.839 -2.518) 2.654 5.692 ( -0.000 1.446 0.785) 1.645 6.521 ( -0.000 4.918 1.545) 5.155 9.429 ( 0.000 2.056 -0.517) 2.120 9.520 ( 0.000 1.612 -4.821) 5.083 10.554 ( -0.000 0.326 2.068) 2.094 10.968 ( -0.000 1.677 0.512) 1.754 11.547 ( -0.000 -9.358 0.456) 9.369 15.604 ( 0.000 0.494 -0.224) 0.542 ======================= Grid point 147 (81/489) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( 1.490 0.000 -0.000) 1.490 3.489 ( 8.766 0.000 -0.000) 8.766 3.718 ( 11.398 0.000 -0.000) 11.398 4.552 ( 0.269 0.000 -0.000) 0.269 5.674 ( -2.967 -0.000 0.000) 2.967 6.523 ( -2.863 -0.000 0.000) 2.863 9.506 ( -1.388 -0.000 0.000) 1.388 9.550 ( 11.971 0.000 -0.000) 11.971 10.589 ( 3.648 0.000 -0.000) 3.648 10.927 ( -5.385 -0.000 0.000) 5.385 11.541 ( 4.268 0.000 -0.000) 4.268 15.542 ( -7.305 -0.000 0.000) 7.305 ======================= Grid point 313 (82/489) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.236 ( -0.000 0.000 24.626) 24.626 0.236 ( -0.000 0.000 24.626) 24.626 0.476 ( -0.000 0.000 49.692) 49.692 3.110 ( 0.000 -0.000 -1.000) 1.000 3.110 ( 0.000 -0.000 -1.000) 1.000 7.086 ( 0.000 -0.000 -4.510) 4.510 7.616 ( -0.000 0.000 0.373) 0.373 7.616 ( -0.000 0.000 0.373) 0.373 11.325 ( 0.000 -0.000 -0.287) 0.287 11.325 ( 0.000 -0.000 -0.287) 0.287 14.672 ( -0.000 0.000 0.871) 0.871 15.003 ( 0.000 -0.000 -0.324) 0.324 ======================= Grid point 314 (83/489) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 24.077 13.901 8.705) 29.133 0.704 ( 15.775 9.108 25.153) 31.056 1.260 ( 44.219 25.530 16.235) 53.578 3.123 ( 1.639 0.946 -1.635) 2.501 3.243 ( 10.821 6.248 -0.713) 12.516 6.181 ( -7.458 -4.306 6.778) 10.959 7.677 ( 4.893 2.825 0.851) 5.713 10.000 ( 17.855 10.309 -42.795) 47.503 11.291 ( -2.710 -1.564 -0.406) 3.155 11.294 ( 11.579 6.685 -24.921) 28.281 14.519 ( -12.760 -7.367 4.043) 15.279 15.459 ( 14.016 8.092 -19.368) 25.239 ======================= Grid point 315 (84/489) ======================= q-point: ( 0.18 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 18.253 10.539 16.117) 26.533 1.269 ( 24.750 14.289 4.577) 28.943 2.338 ( 44.478 25.679 8.711) 52.092 3.174 ( 3.137 1.811 -2.153) 4.214 3.582 ( 17.753 10.250 0.218) 20.501 6.067 ( -4.572 -2.640 -1.016) 5.376 7.847 ( 9.375 5.413 1.086) 10.880 9.788 ( -18.096 -10.448 -0.320) 20.898 11.203 ( -4.626 -2.671 -0.453) 5.361 11.599 ( 17.961 10.370 -32.205) 38.305 14.169 ( -18.472 -10.665 9.894) 23.513 15.588 ( 2.734 1.579 -11.728) 12.145 ======================= Grid point 316 (85/489) ======================= q-point: ( 0.24 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 19.425 11.215 9.237) 24.257 1.837 ( 23.042 13.304 3.115) 26.789 3.251 ( 4.105 2.370 -2.511) 5.364 3.350 ( 40.564 23.420 4.577) 47.063 4.033 ( 20.264 11.700 1.298) 23.435 5.943 ( -5.669 -3.273 -2.917) 7.166 8.113 ( 13.180 7.610 0.976) 15.251 9.364 ( -16.954 -9.789 1.328) 19.622 11.084 ( -5.241 -3.026 -0.369) 6.064 11.838 ( 9.962 5.751 -26.042) 28.470 13.751 ( -20.781 -11.998 16.476) 29.107 15.541 ( -2.964 -1.711 -11.758) 12.246 ======================= Grid point 317 (86/489) ======================= q-point: ( 0.29 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 19.246 11.112 4.759) 22.728 2.348 ( 20.062 11.583 2.419) 23.291 3.343 ( 4.418 2.551 -2.700) 5.772 4.226 ( 33.891 19.567 0.294) 39.135 4.501 ( 19.090 11.022 1.976) 22.132 5.789 ( -6.748 -3.896 -1.852) 8.009 8.452 ( 15.455 8.923 0.542) 17.854 9.055 ( -9.173 -5.296 -1.119) 10.651 10.969 ( -4.408 -2.545 -0.113) 5.092 11.878 ( -0.027 -0.015 -22.388) 22.388 13.316 ( -22.123 -12.773 21.186) 33.188 15.409 ( -4.282 -2.472 -12.240) 13.201 ======================= Grid point 318 (87/489) ======================= q-point: ( 0.35 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 17.409 10.051 2.210) 20.223 2.777 ( 16.272 9.395 2.047) 18.900 3.434 ( 4.046 2.336 -2.733) 5.412 4.880 ( 19.293 11.139 -9.148) 24.082 4.920 ( 19.020 10.981 3.905) 22.306 5.648 ( -4.317 -2.493 4.372) 6.631 8.814 ( 15.286 8.825 -0.096) 17.651 8.950 ( 0.931 0.538 -3.450) 3.613 10.888 ( -2.443 -1.411 0.308) 2.838 11.709 ( -8.161 -4.712 -18.990) 21.200 12.843 ( -24.752 -14.291 20.147) 34.969 15.301 ( -1.448 -0.836 -9.809) 9.950 ======================= Grid point 319 (88/489) ======================= q-point: ( 0.41 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( 13.982 8.072 0.735) 16.162 3.112 ( 12.129 7.003 1.837) 14.125 3.508 ( 3.016 1.741 -2.627) 4.362 5.056 ( 0.656 0.379 -12.411) 12.434 5.311 ( 12.637 7.296 -0.022) 14.592 5.722 ( 8.594 4.962 11.126) 14.908 9.073 ( 10.528 6.078 -4.983) 13.138 9.139 ( 12.424 7.173 -0.716) 14.364 10.860 ( -0.197 -0.114 0.768) 0.801 11.414 ( -12.248 -7.071 -13.758) 19.731 12.295 ( -26.677 -15.402 14.114) 33.883 15.285 ( 1.883 1.087 -5.359) 5.783 ======================= Grid point 320 (89/489) ======================= q-point: ( 0.47 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( 9.225 5.326 -0.679) 10.674 3.351 ( 7.961 4.596 1.667) 9.342 3.552 ( 1.409 0.814 -2.357) 2.864 4.952 ( -4.312 -2.490 -8.947) 10.239 5.546 ( 7.696 4.443 0.288) 8.891 5.975 ( 8.496 4.905 7.776) 12.518 9.372 ( 7.810 4.509 -1.009) 9.074 9.389 ( 17.797 10.275 -5.825) 21.360 10.876 ( 1.020 0.589 1.003) 1.547 11.058 ( -16.265 -9.391 -5.989) 19.713 11.754 ( -20.890 -12.061 6.559) 24.997 15.334 ( 2.785 1.608 -1.618) 3.600 ======================= Grid point 321 (90/489) ======================= q-point: ( 0.53 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.339 ( 3.117 1.799 -2.590) 4.434 3.488 ( 2.986 1.724 0.744) 3.527 3.561 ( 0.294 0.170 -1.193) 1.240 4.863 ( -0.761 -0.439 -4.124) 4.217 5.664 ( 2.496 1.441 -1.167) 3.109 6.125 ( 2.271 1.311 5.758) 6.326 9.492 ( 2.813 1.624 -0.798) 3.344 9.825 ( 19.615 11.325 -6.210) 23.485 10.618 ( -19.162 -11.063 1.598) 22.184 10.899 ( 0.423 0.244 0.815) 0.950 11.445 ( -6.451 -3.725 1.131) 7.535 15.386 ( 1.505 0.869 0.760) 1.897 ======================= Grid point 322 (91/489) ======================= q-point: (-0.41 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.323 ( -3.455 -1.994 -4.130) 5.742 3.464 ( -3.887 -2.244 -1.482) 4.727 3.587 ( 0.965 0.557 1.361) 1.759 4.907 ( 5.007 2.891 0.033) 5.782 5.650 ( -3.144 -1.815 -2.522) 4.420 6.109 ( -5.058 -2.920 4.333) 7.273 9.498 ( -2.204 -1.272 -0.225) 2.555 9.906 ( -15.841 -9.146 1.910) 18.391 10.566 ( 19.327 11.159 -3.554) 22.598 10.893 ( -1.005 -0.580 0.292) 1.196 11.438 ( 4.970 2.870 0.498) 5.761 15.404 ( -0.291 -0.168 2.611) 2.632 ======================= Grid point 323 (92/489) ======================= q-point: (-0.35 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.164 ( -8.911 -5.145 -4.103) 11.077 3.322 ( -7.937 -4.583 -1.256) 9.251 3.590 ( -1.123 -0.649 1.516) 1.996 5.079 ( 8.872 5.122 3.197) 10.732 5.507 ( -8.143 -4.702 -3.733) 10.117 5.916 ( -12.545 -7.243 2.651) 14.726 9.386 ( -7.556 -4.362 0.343) 8.731 9.497 ( -17.446 -10.072 5.225) 20.811 10.863 ( -1.303 -0.752 -0.267) 1.528 11.101 ( 24.643 14.227 -2.976) 28.610 11.651 ( 13.069 7.546 -2.601) 15.314 15.399 ( -0.852 -0.492 4.805) 4.904 ======================= Grid point 324 (93/489) ======================= q-point: (-0.29 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( -13.472 -7.778 -2.761) 15.799 3.087 ( -12.125 -7.000 -0.795) 14.023 3.548 ( -2.808 -1.621 1.478) 3.563 5.219 ( -9.816 -5.667 3.818) 11.960 5.349 ( 6.450 3.724 -0.677) 7.478 5.546 ( -19.086 -11.020 -1.823) 22.114 9.151 ( -12.641 -7.299 0.537) 14.607 9.176 ( -11.253 -6.497 5.601) 14.150 10.847 ( 0.299 0.172 -0.550) 0.649 11.642 ( 20.788 12.002 7.507) 25.150 11.992 ( 18.100 10.450 -14.712) 25.559 15.412 ( 0.695 0.401 7.258) 7.302 ======================= Grid point 325 (94/489) ======================= q-point: (-0.24 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( -17.520 -10.115 -0.890) 20.250 2.755 ( -16.357 -9.443 -0.211) 18.888 3.474 ( -3.902 -2.253 1.374) 4.710 4.877 ( -18.178 -10.495 -0.600) 20.999 4.984 ( -27.074 -15.631 0.963) 31.277 5.593 ( 10.307 5.951 -0.493) 11.911 8.818 ( -15.773 -9.106 0.292) 18.215 9.028 ( -2.611 -1.508 4.508) 5.423 10.880 ( 2.743 1.584 -0.498) 3.207 12.057 ( 10.195 5.886 16.650) 20.391 12.408 ( 24.019 13.867 -24.314) 36.884 15.484 ( 3.228 1.864 8.473) 9.256 ======================= Grid point 326 (95/489) ======================= q-point: (-0.18 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -20.688 -11.944 0.957) 23.908 2.330 ( -20.286 -11.712 0.581) 23.432 3.381 ( -4.368 -2.522 1.166) 5.176 4.210 ( -36.214 -20.908 -0.132) 41.817 4.474 ( -19.445 -11.226 -1.884) 22.532 5.809 ( 8.139 4.699 0.276) 9.402 8.445 ( -15.932 -9.198 -0.140) 18.397 9.090 ( 6.925 3.998 2.454) 8.365 10.967 ( 4.699 2.713 -0.304) 5.434 12.213 ( 0.570 0.329 8.503) 8.528 12.940 ( 26.260 15.161 -13.948) 33.377 15.599 ( 4.071 2.350 6.953) 8.393 ======================= Grid point 327 (96/489) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -22.531 -13.008 2.977) 26.187 1.824 ( -23.515 -13.576 1.731) 27.207 3.284 ( -4.170 -2.408 0.812) 4.883 3.288 ( -42.690 -24.647 -1.093) 49.306 4.010 ( -19.814 -11.439 -1.513) 22.929 5.968 ( 5.570 3.216 -0.241) 6.436 8.099 ( -13.452 -7.766 -0.457) 15.540 9.354 ( 15.072 8.702 0.179) 17.405 11.087 ( 5.428 3.134 -0.148) 6.270 12.159 ( -6.651 -3.840 3.767) 8.554 13.510 ( 25.173 14.534 -5.757) 29.632 15.690 ( 1.932 1.116 3.076) 3.800 ======================= Grid point 328 (97/489) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -22.851 -13.193 7.063) 27.315 1.260 ( -25.710 -14.843 3.629) 29.908 2.245 ( -46.680 -26.951 -0.321) 53.902 3.198 ( -3.316 -1.914 0.303) 3.841 3.570 ( -17.164 -9.910 -1.189) 19.855 6.069 ( 3.401 1.963 -0.479) 3.956 7.831 ( -9.358 -5.403 -0.467) 10.816 9.765 ( 20.004 11.549 -2.549) 23.239 11.206 ( 4.701 2.714 -0.103) 5.429 11.934 ( -13.090 -7.557 -2.049) 15.253 14.051 ( 21.916 12.653 -0.461) 25.310 15.693 ( -1.986 -1.147 -2.399) 3.319 ======================= Grid point 331 (98/489) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -0.000 26.751 13.522) 29.974 0.820 ( -0.000 20.553 24.554) 32.020 1.262 ( -0.000 46.374 19.185) 50.185 3.128 ( 0.000 2.341 -1.342) 2.698 3.226 ( 0.000 11.842 -1.812) 11.980 6.198 ( -0.000 -11.552 6.768) 13.389 7.668 ( -0.000 5.205 0.266) 5.212 9.796 ( 0.000 32.194 -47.351) 57.259 11.291 ( 0.000 -3.119 -0.435) 3.149 11.322 ( 0.000 14.912 -20.006) 24.952 14.519 ( -0.000 -15.754 3.994) 16.252 15.384 ( 0.000 17.504 -18.157) 25.220 ======================= Grid point 332 (99/489) ======================= q-point: ( 0.18 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 7.640 19.420 20.044) 28.935 1.200 ( 10.526 25.061 10.489) 29.135 2.061 ( 27.503 42.068 10.885) 51.426 3.162 ( 1.171 3.817 -1.912) 4.427 3.456 ( 10.334 15.043 -1.043) 18.280 6.091 ( -2.838 -5.637 -0.409) 6.325 7.786 ( 5.484 7.770 0.737) 9.539 9.834 ( -2.477 -11.957 -7.758) 14.467 11.205 ( -2.896 -3.630 -2.871) 5.459 11.477 ( 4.827 21.776 -29.628) 37.085 14.279 ( -8.261 -19.170 7.983) 22.349 15.523 ( 3.964 6.987 -13.513) 15.721 ======================= Grid point 333 (100/489) ======================= q-point: ( 0.24 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 11.850 16.863 15.079) 25.537 1.702 ( 15.342 23.229 5.265) 28.332 3.009 ( 32.630 34.773 5.809) 48.038 3.232 ( 2.231 5.451 -2.384) 6.354 3.847 ( 16.271 15.300 0.514) 22.340 5.976 ( -3.883 -4.810 -3.313) 7.014 8.012 ( 9.445 10.498 1.114) 14.165 9.518 ( -13.169 -15.333 1.791) 20.291 11.108 ( -2.619 -4.969 -1.378) 5.784 11.684 ( 7.246 13.804 -28.787) 32.737 13.932 ( -12.567 -19.741 13.761) 27.148 15.542 ( -1.700 1.293 -12.102) 12.289 ======================= Grid point 334 (101/489) ======================= q-point: ( 0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 14.189 15.347 8.643) 22.618 2.209 ( 15.667 20.430 3.872) 26.035 3.326 ( 2.416 6.768 -2.752) 7.695 3.894 ( 30.870 27.706 0.930) 41.490 4.301 ( 18.112 13.450 2.377) 22.685 5.838 ( -4.981 -4.960 -3.241) 7.741 8.323 ( 12.206 12.736 1.150) 17.678 9.168 ( -11.649 -9.508 0.525) 15.046 11.010 ( -3.255 -3.305 -0.550) 4.672 11.780 ( 3.165 3.043 -24.664) 25.052 13.546 ( -15.171 -19.344 18.841) 30.974 15.435 ( -5.278 -1.018 -12.456) 13.566 ======================= Grid point 335 (102/489) ======================= q-point: ( 0.35 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 14.920 12.820 4.253) 20.125 2.670 ( 13.460 18.358 3.043) 22.967 3.428 ( 1.821 7.716 -2.940) 8.456 4.606 ( 23.840 17.788 -6.917) 30.539 4.744 ( 17.033 12.028 5.056) 21.456 5.699 ( -4.336 -4.116 0.690) 6.018 8.681 ( 12.732 13.149 0.972) 18.329 8.965 ( -3.894 -1.849 -2.038) 4.768 10.933 ( -3.170 -0.519 -0.068) 3.212 11.694 ( -3.302 -4.896 -21.067) 21.879 13.125 ( -18.759 -18.948 19.767) 33.191 15.299 ( -3.746 -1.255 -10.986) 11.675 ======================= Grid point 336 (103/489) ======================= q-point: ( 0.41 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( 13.881 9.337 1.660) 16.811 3.058 ( 9.695 16.863 2.289) 19.585 3.520 ( 0.602 8.091 -2.978) 8.642 4.957 ( 8.371 3.500 -11.957) 15.010 5.165 ( 14.071 10.545 1.525) 17.650 5.678 ( 4.016 1.473 9.081) 10.038 8.939 ( 7.351 3.008 -2.102) 8.216 9.069 ( 9.119 14.331 -1.387) 17.043 10.892 ( -2.312 1.634 0.353) 2.853 11.462 ( -7.794 -8.506 -16.587) 20.204 12.625 ( -23.733 -17.876 15.369) 33.451 15.234 ( 1.049 -1.130 -6.797) 6.969 ======================= Grid point 337 (104/489) ======================= q-point: ( 0.47 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( 11.191 5.615 -0.194) 12.522 3.354 ( 5.003 15.201 1.579) 16.081 3.588 ( -1.090 7.958 -2.783) 8.501 4.953 ( -2.012 -2.229 -11.382) 11.772 5.442 ( 9.326 4.833 1.222) 10.575 5.889 ( 9.762 4.506 9.342) 14.244 9.161 ( 14.389 6.321 -3.822) 16.174 9.354 ( 6.372 14.157 -1.474) 15.594 10.879 ( -1.148 0.887 0.579) 1.562 11.172 ( -10.461 -8.930 -10.278) 17.170 12.071 ( -24.875 -12.993 9.006) 29.474 15.258 ( 4.523 -1.902 -2.469) 5.493 ======================= Grid point 338 (105/489) ======================= q-point: ( 0.53 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.256 ( 6.693 1.833 -2.415) 7.348 3.542 ( -0.087 12.659 0.979) 12.697 3.624 ( -2.815 7.831 -2.081) 8.578 4.860 ( -1.761 -1.347 -6.925) 7.271 5.601 ( 5.396 0.819 -0.241) 5.463 6.089 ( 5.862 1.391 7.509) 9.627 9.495 ( 10.090 8.727 -1.158) 13.391 9.578 ( 10.924 11.042 -5.489) 16.473 10.831 ( -16.154 -9.158 -0.659) 18.581 10.865 ( 0.482 -3.292 -0.715) 3.403 11.642 ( -16.206 -1.250 2.860) 16.504 15.316 ( 5.047 -3.324 0.402) 6.057 ======================= Grid point 339 (106/489) ======================= q-point: (-0.41 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.306 ( 0.465 -2.257 -4.660) 5.199 3.591 ( -6.438 8.626 -1.294) 10.841 3.658 ( -2.878 8.907 0.839) 9.398 4.853 ( 3.053 1.538 -2.898) 4.482 5.640 ( 0.630 -2.885 -1.882) 3.501 6.152 ( -0.738 -2.501 6.426) 6.935 9.589 ( -4.498 7.587 -0.670) 8.846 9.902 ( 10.478 -1.470 -4.600) 11.537 10.502 ( -7.368 0.940 1.401) 7.558 10.860 ( 2.773 -3.480 0.649) 4.496 11.503 ( -5.349 7.525 0.241) 9.236 15.358 ( 3.771 -4.531 2.264) 6.315 ======================= Grid point 340 (107/489) ======================= q-point: (-0.35 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.208 ( -5.067 -5.323 -5.025) 8.902 3.507 ( -11.199 6.327 -1.673) 12.971 3.679 ( -4.745 7.456 1.576) 8.978 4.976 ( 8.236 3.846 -0.448) 9.101 5.554 ( -4.448 -5.932 -2.851) 7.943 6.049 ( -8.396 -5.961 5.392) 11.623 9.503 ( -9.264 -1.216 -0.234) 9.347 9.723 ( -15.325 -7.100 3.420) 17.233 10.750 ( 16.990 7.465 -4.532) 19.103 10.914 ( 6.443 5.156 0.344) 8.259 11.578 ( 4.074 9.050 -0.576) 9.941 15.374 ( 2.545 -4.625 4.010) 6.629 ======================= Grid point 341 (108/489) ======================= q-point: (-0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.003 ( -9.612 -6.968 -3.808) 12.467 3.317 ( -15.726 3.258 -1.104) 16.098 3.652 ( -6.421 5.674 1.432) 8.687 5.194 ( 11.115 4.686 1.008) 12.104 5.354 ( -9.077 -7.834 -3.811) 12.581 5.773 ( -16.632 -8.850 4.331) 19.332 9.257 ( -11.106 -9.154 2.392) 14.590 9.423 ( -16.538 -0.493 3.009) 16.817 10.858 ( -0.137 1.924 -0.625) 2.028 11.358 ( 24.988 12.425 -2.527) 28.020 11.800 ( 11.329 7.991 -4.306) 14.517 15.393 ( 2.727 -3.120 5.868) 7.184 ======================= Grid point 342 (109/489) ======================= q-point: (-0.24 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( -14.372 -7.651 -1.782) 16.378 3.021 ( -19.605 -0.326 -0.257) 19.609 3.583 ( -7.375 3.856 1.136) 8.400 5.057 ( -13.939 -8.968 -1.731) 16.665 5.314 ( -24.265 -10.667 -1.062) 26.527 5.454 ( 10.847 3.910 3.123) 11.946 8.996 ( -11.521 -7.022 1.743) 13.604 9.146 ( -13.135 -1.554 3.446) 13.668 10.876 ( -0.021 3.128 -0.655) 3.196 11.910 ( 22.616 9.013 10.629) 26.564 12.069 ( 15.785 7.097 -18.666) 25.455 15.454 ( 4.177 -0.665 6.879) 8.076 ======================= Grid point 343 (110/489) ======================= q-point: (-0.18 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( -19.347 -7.783 0.605) 20.863 2.633 ( -22.751 -3.347 0.609) 23.004 3.485 ( -7.545 2.148 0.796) 7.885 4.657 ( -29.919 -11.278 1.577) 32.013 4.701 ( -22.490 -10.878 -2.992) 25.161 5.690 ( 10.385 3.480 0.390) 10.960 8.670 ( -17.956 -5.630 0.311) 18.820 9.047 ( 0.961 0.394 3.191) 3.356 10.925 ( 2.517 2.785 -0.585) 3.799 12.186 ( 5.304 0.541 2.583) 5.924 12.546 ( 29.090 11.101 -9.612) 32.586 15.560 ( 5.060 1.000 5.641) 7.643 ======================= Grid point 344 (111/489) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -23.322 -7.602 3.177) 24.734 2.174 ( -25.619 -4.727 1.617) 26.102 3.374 ( -6.961 0.719 0.358) 7.007 3.855 ( -43.254 -13.303 0.351) 45.255 4.264 ( -20.458 -7.733 -1.653) 21.933 5.878 ( 7.877 2.207 -0.498) 8.195 8.305 ( -17.354 -4.595 0.018) 17.952 9.184 ( 11.166 3.534 1.425) 11.799 11.012 ( 4.961 1.637 -0.415) 5.240 12.209 ( -1.549 -1.818 -3.547) 4.276 13.141 ( 28.893 9.520 -1.301) 30.449 15.663 ( 3.675 0.807 2.025) 4.273 ======================= Grid point 345 (112/489) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -25.118 -6.500 6.816) 26.825 1.665 ( -28.386 -4.248 2.923) 28.850 2.924 ( -49.879 -9.756 1.372) 50.843 3.266 ( -5.692 -0.242 -0.188) 5.700 3.832 ( -21.021 -4.494 -1.056) 21.522 6.006 ( 5.429 1.092 -1.043) 5.635 7.994 ( -13.961 -2.416 0.016) 14.168 9.495 ( 18.918 4.483 -0.016) 19.442 11.119 ( 6.062 0.392 -0.355) 6.085 12.070 ( -9.532 -3.372 -8.956) 13.507 13.717 ( 27.108 6.753 3.280) 28.129 15.700 ( 0.118 -0.344 -2.944) 2.967 ======================= Grid point 349 (113/489) ======================= q-point: ( 0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -0.000 19.895 21.530) 29.314 1.389 ( -0.000 26.726 9.227) 28.274 2.334 ( -0.000 50.037 9.287) 50.892 3.184 ( 0.000 4.032 -1.780) 4.407 3.539 ( 0.000 19.701 -1.803) 19.783 6.049 ( 0.000 -6.354 -1.980) 6.655 7.830 ( -0.000 10.767 0.393) 10.775 9.700 ( 0.000 -13.480 -3.944) 14.045 11.199 ( 0.000 -5.484 -0.600) 5.517 11.564 ( 0.000 20.690 -30.714) 37.033 14.150 ( -0.000 -23.973 9.026) 25.616 15.527 ( 0.000 7.791 -12.494) 14.724 ======================= Grid point 350 (114/489) ======================= q-point: ( 0.24 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 3.656 19.844 17.445) 26.673 1.764 ( 8.588 25.009 7.119) 27.383 3.000 ( 15.940 44.768 5.601) 47.850 3.244 ( 2.308 5.499 -2.059) 6.309 3.810 ( 7.816 20.210 -0.700) 21.680 5.960 ( -1.890 -5.931 -3.774) 7.280 8.003 ( 5.497 13.318 0.851) 14.433 9.511 ( -4.601 -16.378 1.978) 17.126 11.102 ( -3.170 -5.104 -1.631) 6.226 11.666 ( 1.908 13.852 -29.027) 32.219 13.891 ( -4.716 -25.121 12.669) 28.527 15.551 ( -0.786 3.772 -11.459) 12.089 ======================= Grid point 351 (115/489) ======================= q-point: ( 0.29 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 7.249 17.888 11.989) 22.722 2.212 ( 12.031 23.627 5.320) 27.042 3.349 ( 3.197 7.615 -2.448) 8.615 3.753 ( 21.188 35.583 0.211) 41.414 4.188 ( 12.830 17.962 2.162) 22.179 5.844 ( -3.234 -5.724 -3.853) 7.620 8.285 ( 9.338 15.729 1.566) 18.359 9.246 ( -8.908 -11.993 1.998) 15.073 11.009 ( -1.512 -3.808 -1.456) 4.348 11.700 ( 1.117 4.139 -25.855) 26.208 13.577 ( -7.869 -24.645 16.601) 30.739 15.486 ( -4.876 0.700 -11.414) 12.432 ======================= Grid point 352 (116/489) ======================= q-point: ( 0.35 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 9.691 14.891 6.829) 19.034 2.672 ( 12.085 22.437 4.412) 25.863 3.480 ( 2.423 10.029 -2.872) 10.710 4.395 ( 19.457 20.917 -7.335) 29.494 4.624 ( 15.076 17.922 6.065) 24.192 5.720 ( -3.407 -4.757 -1.073) 5.949 8.635 ( 10.644 16.700 2.321) 19.940 9.023 ( -6.268 -3.959 -0.522) 7.432 10.965 ( -0.757 -0.597 -0.772) 1.235 11.615 ( -1.733 -4.783 -22.569) 23.135 13.228 ( -10.995 -23.701 18.265) 31.879 15.344 ( -6.497 -0.721 -10.851) 12.667 ======================= Grid point 353 (117/489) ======================= q-point: ( 0.41 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( 10.698 11.128 3.296) 15.784 3.098 ( 9.773 21.489 3.459) 23.859 3.609 ( 0.603 12.019 -3.293) 12.476 4.781 ( 12.647 6.365 -10.183) 17.440 5.062 ( 12.469 14.667 2.717) 19.442 5.664 ( 0.897 -0.573 5.547) 5.648 8.880 ( 2.620 3.219 0.416) 4.172 9.077 ( 7.993 16.871 -0.510) 18.676 10.959 ( -1.656 3.332 -0.467) 3.750 11.416 ( -4.371 -9.907 -18.588) 21.512 12.822 ( -15.752 -21.883 15.767) 31.235 15.210 ( -3.295 -1.862 -8.142) 8.979 ======================= Grid point 354 (118/489) ======================= q-point: ( 0.47 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( 10.023 7.143 0.777) 12.332 3.455 ( 5.707 20.361 2.522) 21.296 3.716 ( -1.769 13.273 -3.455) 13.828 4.897 ( 2.555 -0.941 -11.779) 12.089 5.344 ( 8.270 5.905 2.266) 10.412 5.798 ( 8.210 3.904 8.653) 12.551 9.006 ( 8.804 5.404 -1.989) 10.520 9.407 ( 6.951 18.828 0.279) 20.072 10.944 ( -4.213 2.364 -2.002) 5.229 11.183 ( -5.002 -8.325 -11.613) 15.140 12.352 ( -19.831 -16.741 10.337) 27.935 15.152 ( 2.099 -3.917 -4.107) 6.051 ======================= Grid point 355 (119/489) ======================= q-point: ( 0.53 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( 7.547 3.178 -1.695) 8.362 3.713 ( 0.472 18.659 1.918) 18.763 3.789 ( -4.301 13.870 -3.109) 14.850 4.848 ( -1.142 -1.434 -8.757) 8.947 5.507 ( 6.006 0.603 1.587) 6.241 6.001 ( 7.944 1.033 7.507) 10.979 9.279 ( 15.458 7.381 -2.900) 17.374 9.667 ( 1.841 16.759 -0.485) 16.867 10.830 ( -3.161 -6.701 -5.479) 9.214 11.002 ( -10.391 -1.419 -0.649) 10.507 11.925 ( -17.020 -5.291 4.259) 18.325 15.165 ( 5.778 -6.420 -0.747) 8.669 ======================= Grid point 356 (120/489) ======================= q-point: ( 0.59 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.245 ( 2.984 -0.638 -4.139) 5.142 3.822 ( -6.760 13.265 -2.590) 15.112 3.859 ( -4.773 17.063 2.046) 17.835 4.816 ( 1.067 0.849 -5.257) 5.430 5.570 ( 2.752 -3.682 -0.395) 4.614 6.119 ( 3.768 -3.068 6.934) 8.467 9.633 ( 17.181 4.633 -3.801) 18.196 9.776 ( -5.340 10.642 -1.057) 11.953 10.725 ( -7.150 0.026 -0.363) 7.159 10.772 ( -5.700 -4.473 1.386) 7.377 11.715 ( -9.416 6.116 -0.096) 11.228 15.204 ( 6.775 -8.183 1.443) 10.721 ======================= Grid point 357 (121/489) ======================= q-point: (-0.35 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.214 ( -2.386 -3.345 -5.099) 6.548 3.789 ( -10.848 11.561 -2.467) 16.044 3.914 ( -8.130 15.126 2.523) 17.356 4.879 ( 5.706 2.738 -3.106) 7.050 5.527 ( -1.025 -7.055 -1.703) 7.329 6.107 ( -2.561 -5.958 6.372) 9.092 9.640 ( -9.014 -6.385 -1.864) 11.202 9.864 ( -1.484 4.515 0.922) 4.841 10.653 ( 1.332 11.990 -1.660) 12.177 10.824 ( 7.510 0.561 1.817) 7.747 11.671 ( -4.136 8.125 -1.761) 9.286 15.242 ( 6.339 -8.283 3.001) 10.853 ======================= Grid point 358 (122/489) ======================= q-point: (-0.29 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.076 ( -6.884 -4.514 -4.196) 9.240 3.652 ( -15.749 8.389 -1.863) 17.941 3.898 ( -10.563 12.557 2.178) 16.553 5.042 ( 10.055 3.452 -3.157) 11.090 5.388 ( -5.044 -8.796 -1.254) 10.217 5.947 ( -10.340 -7.422 5.556) 13.888 9.364 ( -11.286 -9.903 1.360) 15.076 9.731 ( -15.431 2.551 1.972) 15.764 10.881 ( 3.641 10.162 -2.149) 11.006 11.065 ( 18.684 8.024 -0.878) 20.353 11.726 ( 3.672 5.523 -2.624) 7.133 15.285 ( 6.072 -6.428 4.220) 9.798 ======================= Grid point 359 (123/489) ======================= q-point: (-0.24 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( -10.987 -4.674 -2.336) 12.167 3.398 ( -20.436 4.657 -0.739) 20.973 3.817 ( -11.650 8.987 1.342) 14.775 5.154 ( -6.955 -7.330 -7.513) 12.591 5.278 ( 9.476 1.998 2.162) 9.923 5.632 ( -18.803 -7.931 5.657) 21.177 9.099 ( -9.203 -7.567 2.473) 12.168 9.445 ( -18.971 0.429 1.694) 19.052 10.951 ( -3.199 7.255 -0.673) 7.958 11.556 ( 26.496 9.080 -4.164) 28.316 11.883 ( 9.713 2.396 -2.303) 10.265 15.359 ( 6.594 -3.460 4.563) 8.734 ======================= Grid point 360 (124/489) ======================= q-point: (-0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -15.574 -4.196 -0.174) 16.131 3.038 ( -24.013 1.320 0.421) 24.053 3.689 ( -11.321 5.113 0.515) 12.433 4.875 ( -13.605 -6.783 -2.823) 15.462 5.128 ( -28.158 -6.814 -0.569) 28.976 5.528 ( 11.083 1.639 2.766) 11.540 8.896 ( -10.473 -3.990 1.631) 11.326 9.139 ( -13.382 -0.968 1.625) 13.515 10.952 ( -2.275 4.268 -0.745) 4.894 12.033 ( 14.145 1.981 -20.383) 24.889 12.140 ( 24.006 6.020 14.607) 28.738 15.469 ( 7.030 -1.215 3.102) 7.779 ======================= Grid point 361 (125/489) ======================= q-point: (-0.12 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( -20.594 -3.156 2.010) 20.931 2.606 ( -26.070 -0.623 1.387) 26.115 3.537 ( -10.017 1.732 -0.198) 10.167 4.482 ( -38.079 -5.292 0.016) 38.445 4.540 ( -18.163 -3.585 -1.048) 18.543 5.736 ( 10.109 1.045 -0.055) 10.163 8.598 ( -19.069 -1.931 0.779) 19.182 9.066 ( 3.909 -0.247 0.983) 4.038 10.969 ( 1.243 1.637 -0.570) 2.133 12.141 ( 5.304 -0.767 -12.625) 13.716 12.718 ( 29.001 5.748 8.597) 30.790 15.581 ( 6.080 -0.903 -0.297) 6.154 ======================= Grid point 362 (126/489) ======================= q-point: (-0.06 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -24.284 -1.072 4.545) 24.728 2.138 ( -27.448 -0.578 2.122) 27.535 3.382 ( -8.087 -0.388 -0.921) 8.149 3.723 ( -45.442 0.199 1.571) 45.470 4.181 ( -20.910 0.796 -0.379) 20.928 5.894 ( 7.705 0.056 -1.336) 7.820 8.262 ( -17.791 0.089 0.652) 17.803 9.225 ( 13.688 -0.562 0.436) 13.706 11.026 ( 4.403 0.211 -0.442) 4.430 12.117 ( -2.401 -1.089 -14.495) 14.733 13.296 ( 28.599 2.719 10.412) 30.557 15.646 ( 3.582 -1.762 -4.625) 6.109 ======================= Grid point 367 (127/489) ======================= q-point: ( 0.24 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -0.000 18.956 16.128) 24.889 1.953 ( -0.000 24.308 6.431) 25.144 3.262 ( 0.000 4.970 -2.304) 5.478 3.353 ( -0.000 46.357 3.579) 46.495 3.965 ( -0.000 22.926 -0.251) 22.928 5.902 ( 0.000 -6.197 -4.243) 7.511 8.102 ( -0.000 15.762 0.644) 15.775 9.402 ( -0.000 -14.207 3.615) 14.659 11.073 ( 0.000 -6.386 -0.698) 6.424 11.672 ( 0.000 8.340 -29.942) 31.081 13.706 ( -0.000 -26.936 14.048) 30.380 15.565 ( 0.000 3.635 -10.387) 11.005 ======================= Grid point 368 (128/489) ======================= q-point: ( 0.29 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 2.296 17.517 12.486) 21.634 2.283 ( 8.097 22.558 5.286) 24.543 3.343 ( 3.915 5.941 -2.447) 7.524 3.874 ( 8.396 38.340 -2.305) 39.316 4.249 ( 5.261 23.630 3.319) 24.435 5.814 ( -1.529 -5.815 -3.772) 7.098 8.324 ( 5.744 17.674 1.146) 18.620 9.252 ( -4.150 -10.368 3.540) 11.716 10.989 ( -1.609 -5.009 -1.223) 5.401 11.632 ( 0.459 0.537 -27.491) 27.500 13.457 ( -2.918 -26.899 16.001) 31.434 15.537 ( -3.102 1.852 -9.813) 10.457 ======================= Grid point 369 (129/489) ======================= q-point: ( 0.35 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 4.613 14.768 8.114) 17.471 2.700 ( 12.003 21.442 4.641) 25.008 3.494 ( 5.867 8.246 -2.612) 10.452 4.324 ( 10.111 21.503 -8.975) 25.400 4.649 ( 9.339 26.020 6.749) 28.457 5.719 ( -2.221 -4.266 -1.285) 4.978 8.650 ( 9.241 18.728 2.423) 21.024 9.091 ( -5.868 -3.834 1.082) 7.092 10.941 ( 1.091 -1.955 -1.308) 2.593 11.515 ( -1.235 -6.475 -23.551) 24.457 13.168 ( -5.485 -26.386 16.696) 31.703 15.429 ( -6.788 0.270 -9.434) 11.626 ======================= Grid point 370 (130/489) ======================= q-point: ( 0.41 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 6.630 11.349 4.533) 13.903 3.138 ( 12.007 20.681 4.040) 24.253 3.681 ( 4.742 11.681 -3.228) 13.014 4.617 ( 10.041 8.370 -9.543) 16.185 5.061 ( 8.000 19.340 3.100) 21.157 5.670 ( -0.337 0.138 3.718) 3.736 8.911 ( -0.495 5.175 2.259) 5.669 9.114 ( 7.475 16.837 0.052) 18.422 10.979 ( 2.985 2.635 -1.114) 4.135 11.315 ( -3.424 -11.050 -19.630) 22.785 12.839 ( -8.450 -25.266 15.164) 30.654 15.265 ( -7.608 -1.180 -8.197) 11.246 ======================= Grid point 371 (131/489) ======================= q-point: ( 0.47 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( 7.498 7.639 1.766) 10.849 3.543 ( 9.385 19.797 3.435) 22.177 3.861 ( 1.436 15.229 -3.970) 15.804 4.775 ( 6.532 0.465 -10.121) 12.055 5.304 ( 4.455 7.473 2.367) 9.017 5.756 ( 4.270 5.233 6.717) 9.526 8.960 ( 2.589 5.978 -0.364) 6.524 9.474 ( 8.614 20.143 2.013) 22.000 11.023 ( -5.363 -2.691 -9.035) 10.846 11.115 ( 2.249 -2.547 -7.492) 8.226 12.467 ( -11.677 -21.589 11.389) 27.058 15.112 ( -4.237 -3.580 -5.643) 7.912 ======================= Grid point 372 (132/489) ======================= q-point: ( 0.53 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.055 ( 6.786 3.962 -0.734) 7.892 3.870 ( 4.614 18.312 2.634) 19.068 4.006 ( -2.347 17.761 -3.647) 18.283 4.806 ( 1.723 -0.793 -9.070) 9.267 5.428 ( 4.374 0.741 3.534) 5.672 5.908 ( 5.746 1.739 5.926) 8.436 9.135 ( 9.194 8.438 -1.113) 12.529 9.789 ( 4.540 17.274 1.987) 17.971 10.792 ( -5.035 -10.672 -10.261) 15.637 11.163 ( -4.039 7.570 -0.573) 8.599 12.109 ( -11.565 -12.170 6.089) 17.859 15.020 ( 1.287 -7.020 -2.590) 7.592 ======================= Grid point 373 (133/489) ======================= q-point: ( 0.59 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.170 ( 4.250 0.685 -3.010) 5.253 4.055 ( -3.602 15.766 -1.715) 16.263 4.135 ( -3.513 19.314 1.524) 19.690 4.797 ( 0.442 1.630 -6.897) 7.101 5.485 ( 2.551 -3.697 1.682) 4.796 6.014 ( 5.646 -4.207 6.017) 9.261 9.416 ( 13.101 7.680 -1.958) 15.312 9.957 ( -2.783 10.203 0.793) 10.606 10.628 ( 1.325 -8.336 -4.586) 9.606 11.073 ( -14.244 7.820 1.847) 16.354 11.905 ( -7.060 1.057 0.449) 7.153 14.995 ( 5.933 -9.899 -0.061) 11.541 ======================= Grid point 374 (134/489) ======================= q-point: (-0.35 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.192 ( 0.199 -1.586 -4.197) 4.491 4.087 ( -9.059 14.391 -2.804) 17.235 4.240 ( -7.314 18.031 3.715) 19.809 4.825 ( 2.242 3.349 -5.268) 6.633 5.452 ( 0.153 -7.630 -0.472) 7.646 6.053 ( 3.151 -7.541 6.173) 10.243 9.626 ( 2.951 -2.262 -2.850) 4.685 9.949 ( -2.639 6.274 0.750) 6.848 10.641 ( 6.972 -5.158 -0.291) 8.677 10.949 ( -11.319 16.841 2.371) 20.430 11.830 ( -6.207 5.114 -2.607) 8.454 15.021 ( 8.392 -10.475 1.640) 13.522 ======================= Grid point 375 (135/489) ======================= q-point: (-0.29 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.124 ( -4.059 -2.415 -3.688) 5.993 4.004 ( -14.242 10.845 -2.406) 18.061 4.260 ( -11.894 16.193 3.530) 20.399 4.914 ( 6.216 3.100 -4.998) 8.558 5.347 ( -1.541 -9.720 -0.416) 9.850 6.002 ( -2.498 -7.761 5.436) 9.799 9.459 ( -10.081 -8.339 -0.257) 13.085 9.964 ( -6.595 2.867 0.926) 7.251 10.790 ( 14.155 3.147 -2.531) 14.719 11.047 ( -1.860 18.409 3.448) 18.821 11.759 ( -4.075 1.459 -3.757) 5.732 15.085 ( 9.179 -8.411 2.492) 12.697 ======================= Grid point 376 (136/489) ======================= q-point: (-0.24 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( -7.910 -2.134 -2.074) 8.451 3.795 ( -18.896 6.243 -1.252) 19.940 4.166 ( -15.512 11.268 1.837) 19.260 5.055 ( 7.867 1.325 -9.266) 12.227 5.224 ( -1.649 -7.057 4.800) 8.692 5.836 ( -10.505 -6.302 4.376) 13.008 9.199 ( -10.203 -6.637 1.138) 12.225 9.772 ( -16.241 0.476 1.253) 16.296 11.104 ( 4.874 10.470 -4.777) 12.498 11.219 ( 11.644 8.543 1.648) 14.536 11.746 ( 5.506 -1.647 -1.443) 5.925 15.187 ( 9.292 -5.067 2.226) 10.815 ======================= Grid point 377 (137/489) ======================= q-point: (-0.18 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( -11.827 -1.213 -0.199) 11.891 3.470 ( -22.889 2.297 0.114) 23.004 3.975 ( -15.379 4.526 0.094) 16.032 4.998 ( -7.286 -2.821 -5.052) 9.304 5.309 ( 8.072 0.838 -1.571) 8.265 5.543 ( -17.188 -4.448 6.266) 18.828 8.997 ( -7.407 -3.485 1.076) 8.256 9.453 ( -20.051 -0.402 0.902) 20.075 11.089 ( -7.999 5.065 -0.620) 9.488 11.628 ( 24.006 2.927 -14.445) 28.170 11.925 ( 13.760 1.176 11.043) 17.682 15.314 ( 8.985 -2.531 0.447) 9.346 ======================= Grid point 378 (138/489) ======================= q-point: (-0.12 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( -16.294 0.207 1.389) 16.354 3.059 ( -25.469 -0.069 1.195) 25.497 3.743 ( -12.900 -0.517 -0.945) 12.945 4.796 ( -13.433 1.284 -1.864) 13.623 5.046 ( -28.890 -0.465 -1.600) 28.938 5.556 ( 10.653 -0.472 2.754) 11.014 8.857 ( -9.061 -0.745 0.960) 9.142 9.125 ( -13.944 -0.847 -0.353) 13.974 11.003 ( -3.932 0.404 -0.378) 3.971 11.914 ( 14.292 -0.174 -20.580) 25.057 12.337 ( 24.056 2.750 18.958) 30.752 15.437 ( 7.836 -2.012 -2.791) 8.558 ======================= Grid point 379 (139/489) ======================= q-point: (-0.06 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( -20.806 2.368 2.717) 21.115 2.610 ( -26.156 0.027 1.871) 26.223 3.523 ( -9.971 -2.391 -1.556) 10.371 4.477 ( -36.978 5.098 -0.822) 37.337 4.554 ( -18.344 4.851 0.774) 18.990 5.733 ( 9.670 -1.108 -0.340) 9.739 8.601 ( -18.912 1.591 1.103) 19.011 9.043 ( 4.477 -1.821 -1.328) 5.013 10.973 ( 1.108 -1.054 -0.122) 1.535 12.027 ( 6.228 -0.207 -18.935) 19.934 12.865 ( 27.233 -0.104 18.346) 32.836 15.518 ( 5.863 -2.918 -6.715) 9.380 ======================= Grid point 385 (140/489) ======================= q-point: ( 0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( -0.000 15.665 10.625) 18.928 2.441 ( -0.000 20.707 4.371) 21.163 3.349 ( 0.000 5.128 -2.798) 5.842 4.149 ( 0.000 30.537 -7.822) 31.523 4.489 ( -0.000 29.380 7.007) 30.204 5.762 ( 0.000 -4.828 -2.656) 5.510 8.457 ( -0.000 18.620 0.643) 18.631 9.216 ( -0.000 -6.285 3.925) 7.410 10.948 ( 0.000 -5.370 -0.531) 5.396 11.515 ( 0.000 -5.129 -27.467) 27.942 13.260 ( -0.000 -27.111 16.023) 31.492 15.558 ( 0.000 1.928 -8.434) 8.652 ======================= Grid point 386 (141/489) ======================= q-point: ( 0.35 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 1.342 12.982 7.488) 15.047 2.729 ( 8.542 18.891 3.759) 21.070 3.444 ( 5.811 5.726 -2.796) 8.624 4.393 ( 2.798 18.759 -10.773) 21.812 4.851 ( 3.229 29.973 6.962) 30.940 5.711 ( -1.003 -1.950 -0.007) 2.193 8.706 ( 6.412 18.898 1.140) 19.989 9.154 ( -3.561 -1.194 1.979) 4.245 10.898 ( 0.323 -3.175 -0.695) 3.266 11.363 ( 0.546 -10.026 -23.612) 25.659 13.017 ( -2.404 -26.970 15.217) 31.060 15.511 ( -4.448 1.262 -7.594) 8.890 ======================= Grid point 387 (142/489) ======================= q-point: ( 0.41 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 3.175 9.940 4.498) 11.363 3.118 ( 13.139 17.314 3.382) 21.996 3.641 ( 9.561 7.996 -2.875) 12.791 4.556 ( 3.824 9.175 -10.520) 14.473 5.186 ( 2.624 20.654 3.408) 21.097 5.710 ( -0.531 4.459 3.939) 5.973 8.996 ( 1.385 10.274 2.696) 10.712 9.153 ( 4.647 12.724 -0.929) 13.578 10.916 ( 4.278 0.022 -1.007) 4.395 11.180 ( -1.039 -12.095 -18.676) 22.275 12.733 ( -4.544 -26.486 13.420) 30.037 15.381 ( -8.434 0.228 -6.876) 10.884 ======================= Grid point 388 (143/489) ======================= q-point: ( 0.47 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( 4.785 6.864 2.108) 8.628 3.531 ( 13.558 15.655 3.152) 20.948 3.902 ( 9.275 12.420 -3.594) 15.912 4.650 ( 4.605 1.646 -9.028) 10.268 5.354 ( -0.037 7.864 2.386) 8.218 5.810 ( 0.542 10.209 5.300) 11.516 9.026 ( -2.134 7.361 -0.069) 7.664 9.510 ( 11.077 19.054 1.855) 22.118 10.950 ( -1.448 -12.569 -13.885) 18.785 11.058 ( 5.806 4.882 -2.190) 7.896 12.419 ( -6.194 -24.421 10.898) 27.450 15.193 ( -9.651 -1.556 -5.713) 11.322 ======================= Grid point 389 (144/489) ======================= q-point: ( 0.53 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( 5.269 3.886 0.065) 6.547 3.908 ( 11.147 14.265 2.618) 18.292 4.162 ( 4.226 16.760 -3.841) 17.706 4.709 ( 5.200 -0.771 -7.499) 9.158 5.404 ( 0.452 0.760 4.303) 4.393 5.913 ( -0.625 6.125 3.788) 7.229 9.120 ( 3.198 9.882 -0.336) 10.392 9.860 ( 7.426 15.574 2.868) 17.490 10.725 ( -4.366 -11.646 -11.216) 16.748 11.247 ( 5.396 10.004 -1.758) 11.501 12.120 ( -5.694 -18.585 7.813) 20.949 14.997 ( -7.015 -4.616 -3.924) 9.269 ======================= Grid point 390 (145/489) ======================= q-point: ( 0.59 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.097 ( 4.349 1.370 -1.690) 4.862 4.206 ( 5.191 14.554 0.170) 15.453 4.344 ( -0.345 15.047 -0.188) 15.052 4.777 ( 3.259 4.087 -7.484) 9.129 5.423 ( 1.672 -3.565 4.486) 5.969 5.931 ( -0.296 -2.366 3.441) 4.187 9.323 ( 7.872 10.374 -0.330) 13.027 10.073 ( 1.183 8.714 2.574) 9.163 10.518 ( -2.251 -10.225 -7.155) 12.681 11.363 ( -5.670 11.796 -0.044) 13.088 11.951 ( -0.354 -6.365 2.854) 6.985 14.848 ( -1.250 -8.210 -1.803) 8.498 ======================= Grid point 391 (146/489) ======================= q-point: ( 0.65 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.152 ( 2.019 -0.254 -2.711) 3.390 4.347 ( -4.302 13.910 -3.033) 14.872 4.489 ( -0.563 12.756 4.844) 13.657 4.841 ( 0.132 7.163 -6.736) 9.834 5.398 ( -1.615 -4.777 1.055) 5.152 5.907 ( 3.943 -9.792 4.871) 11.626 9.551 ( 6.360 6.236 -1.007) 8.964 10.070 ( -6.019 2.030 0.558) 6.376 10.453 ( 6.391 -7.205 -1.857) 9.808 11.333 ( -11.043 14.955 2.617) 18.773 11.938 ( -1.812 1.955 -2.063) 3.371 14.789 ( 5.347 -9.883 0.053) 11.237 ======================= Grid point 392 (147/489) ======================= q-point: (-0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( -1.269 -0.706 -2.490) 2.882 4.335 ( -11.023 11.133 -2.549) 15.873 4.575 ( -4.830 10.708 4.390) 12.540 4.896 ( -0.153 7.616 -4.827) 9.019 5.276 ( -3.555 -8.550 -0.937) 9.308 5.909 ( 4.999 -9.538 4.768) 11.777 9.553 ( -7.422 -2.941 -0.836) 8.027 10.045 ( -0.738 3.065 0.518) 3.195 10.554 ( 12.071 -2.931 -0.931) 12.457 11.349 ( -7.112 18.372 3.951) 20.093 11.855 ( -7.564 -0.782 -4.178) 8.677 14.835 ( 9.828 -7.993 0.911) 12.700 ======================= Grid point 393 (148/489) ======================= q-point: (-0.24 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( -4.794 -0.144 -1.207) 4.945 4.165 ( -17.052 5.514 -1.296) 17.968 4.535 ( -12.619 6.683 1.396) 14.348 4.954 ( 1.857 5.519 -5.842) 8.248 5.165 ( 1.318 -7.861 2.936) 8.494 5.889 ( -0.897 -5.409 2.983) 6.242 9.338 ( -11.361 -3.307 0.135) 11.834 9.995 ( -8.263 0.193 0.929) 8.318 10.818 ( 19.037 1.574 -3.477) 19.416 11.456 ( -6.052 17.624 4.959) 19.283 11.664 ( -4.090 -8.443 -3.774) 10.112 14.962 ( 11.109 -4.235 0.383) 11.895 ======================= Grid point 394 (149/489) ======================= q-point: (-0.18 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( -8.330 1.014 0.406) 8.401 3.865 ( -20.405 0.664 0.095) 20.417 4.284 ( -17.300 -1.533 -1.442) 17.428 5.031 ( 1.844 4.035 -8.274) 9.388 5.182 ( 4.543 -1.603 7.028) 8.521 5.769 ( -9.757 -1.922 1.999) 10.143 9.128 ( -10.114 -0.651 -0.041) 10.135 9.776 ( -16.406 -0.538 0.865) 16.437 11.179 ( 19.853 2.234 -6.855) 21.122 11.326 ( -10.226 -3.009 -2.998) 11.073 11.748 ( 10.923 2.866 8.032) 13.857 15.122 ( 10.271 -1.345 -1.426) 10.457 ======================= Grid point 395 (150/489) ======================= q-point: (-0.12 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( -12.120 2.544 1.638) 12.492 3.479 ( -23.117 -1.851 1.068) 23.216 3.953 ( -14.846 -5.700 -2.141) 16.046 5.009 ( -7.222 6.021 -3.776) 10.133 5.301 ( 4.770 0.122 -2.555) 5.412 5.541 ( -14.181 0.391 6.231) 15.494 8.979 ( -7.442 1.644 -0.849) 7.669 9.444 ( -20.288 -0.828 0.042) 20.305 11.092 ( -7.776 -4.555 -0.372) 9.020 11.538 ( 20.502 -0.514 -15.785) 25.880 12.053 ( 17.550 0.969 16.311) 23.979 15.268 ( 8.334 -0.563 -4.190) 9.345 ======================= Grid point 396 (151/489) ======================= q-point: (-0.06 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( -16.259 4.566 2.167) 17.027 3.049 ( -24.192 -1.540 1.595) 24.294 3.663 ( -11.024 -5.416 -2.205) 12.479 4.892 ( -13.189 7.971 -1.096) 15.450 5.084 ( -25.500 5.604 -4.476) 26.489 5.555 ( 8.341 -1.641 4.930) 9.827 8.879 ( -8.151 2.682 -0.314) 8.587 9.103 ( -15.252 -0.529 -1.932) 15.383 10.961 ( -2.251 -3.811 0.183) 4.430 11.778 ( 14.227 -1.039 -19.029) 23.782 12.470 ( 23.885 -2.837 20.843) 31.828 15.365 ( 5.940 -1.471 -7.419) 9.617 ======================= Grid point 403 (152/489) ======================= q-point: ( 0.35 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( -0.000 10.455 5.500) 11.813 2.837 ( -0.000 16.379 2.995) 16.651 3.429 ( 0.000 4.718 -3.065) 5.626 4.499 ( 0.000 13.076 -11.747) 17.577 5.138 ( -0.000 26.463 5.532) 27.035 5.727 ( -0.000 3.453 2.599) 4.322 8.831 ( -0.000 17.707 0.088) 17.707 9.197 ( -0.000 2.483 0.882) 2.635 10.865 ( -0.000 -2.393 0.054) 2.394 11.166 ( 0.000 -12.852 -20.691) 24.358 12.812 ( -0.000 -27.003 13.190) 30.052 15.546 ( 0.000 1.732 -6.126) 6.366 ======================= Grid point 404 (153/489) ======================= q-point: ( 0.41 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( 0.870 7.629 3.260) 8.342 3.082 ( 9.119 14.126 2.547) 17.006 3.535 ( 7.682 5.139 -2.905) 9.688 4.569 ( 0.768 6.771 -11.092) 13.018 5.369 ( -0.342 15.620 2.962) 15.902 5.815 ( -0.329 12.291 5.162) 13.335 9.062 ( 5.793 14.910 0.689) 16.011 9.219 ( -0.999 7.397 -2.140) 7.764 10.857 ( 1.171 -1.180 -0.484) 1.732 10.994 ( 1.679 -12.264 -14.729) 19.240 12.561 ( -2.060 -26.624 10.773) 28.795 15.498 ( -5.525 1.518 -5.211) 7.745 ======================= Grid point 405 (154/489) ======================= q-point: ( 0.47 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( 2.568 5.171 1.592) 5.989 3.428 ( 14.070 11.612 2.303) 18.388 3.778 ( 13.774 7.461 -2.837) 15.920 4.596 ( 1.116 1.952 -8.724) 9.010 5.460 ( -2.316 6.699 2.369) 7.473 5.966 ( -1.398 15.282 4.706) 16.051 9.160 ( -3.704 8.403 -1.558) 9.314 9.474 ( 13.144 15.609 -0.447) 20.411 10.801 ( 0.294 -10.868 -9.125) 14.194 10.971 ( 5.905 1.278 -1.813) 6.308 12.284 ( -3.321 -24.704 8.461) 26.323 15.353 ( -10.311 0.589 -4.540) 11.281 ======================= Grid point 406 (155/489) ======================= q-point: ( 0.53 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( 3.761 3.067 0.398) 4.870 3.797 ( 15.198 9.299 2.000) 17.929 4.127 ( 15.298 11.655 -3.036) 19.470 4.604 ( 2.351 -0.812 -5.813) 6.322 5.458 ( -3.505 1.735 3.203) 5.055 6.063 ( -4.592 10.740 2.759) 12.002 9.202 ( -0.800 10.105 -1.544) 10.253 9.848 ( 11.459 12.588 1.203) 17.065 10.652 ( -2.726 -8.410 -7.974) 11.905 11.152 ( 11.871 4.093 -1.191) 12.613 12.022 ( -3.230 -19.779 6.761) 21.151 15.134 ( -12.554 -1.238 -3.729) 13.154 ======================= Grid point 407 (156/489) ======================= q-point: ( 0.59 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( 3.884 1.403 -0.537) 4.165 4.149 ( 14.151 8.700 1.135) 16.650 4.443 ( 4.615 11.225 -1.366) 12.214 4.679 ( 10.166 2.973 -5.571) 11.967 5.402 ( -2.889 -3.503 4.606) 6.468 6.030 ( -8.274 3.732 1.252) 9.163 9.332 ( 3.795 10.841 -0.449) 11.495 10.091 ( 5.746 4.793 1.922) 7.726 10.485 ( -6.029 -5.579 -5.884) 10.104 11.429 ( 11.509 8.234 -2.694) 14.406 11.848 ( 0.425 -11.803 5.808) 13.161 14.889 ( -10.902 -3.819 -2.543) 11.828 ======================= Grid point 408 (157/489) ======================= q-point: ( 0.65 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.103 ( 2.959 0.444 -1.118) 3.194 4.446 ( 7.006 9.130 -2.684) 11.817 4.542 ( 3.681 4.185 4.369) 7.082 4.901 ( 2.879 11.652 -7.521) 14.164 5.355 ( 3.312 -5.933 5.212) 8.564 5.869 ( -9.465 -4.608 1.110) 10.585 9.524 ( 5.715 8.878 0.061) 10.559 10.175 ( -0.187 0.767 1.978) 2.129 10.309 ( -3.225 -6.580 -3.913) 8.307 11.593 ( -3.017 9.526 0.119) 9.993 11.882 ( 8.349 -2.149 1.111) 8.692 14.692 ( -4.565 -5.687 -1.063) 7.370 ======================= Grid point 409 (158/489) ======================= q-point: (-0.29 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.139 ( 1.070 0.379 -1.024) 1.529 4.516 ( -1.226 3.988 -1.508) 4.436 4.739 ( 0.594 11.185 2.479) 11.472 4.900 ( -0.553 -2.672 -2.261) 3.543 5.400 ( -7.613 7.492 -2.076) 10.881 5.694 ( 4.720 -13.541 3.763) 14.826 9.636 ( -1.735 2.337 -0.237) 2.920 10.106 ( -4.599 1.595 0.549) 4.899 10.321 ( 9.640 -4.135 -1.074) 10.545 11.601 ( -4.939 7.168 2.200) 8.979 11.947 ( -2.201 0.932 -1.959) 3.091 14.636 ( 4.431 -4.372 -0.068) 6.225 ======================= Grid point 410 (159/489) ======================= q-point: (-0.24 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.140 ( -1.605 1.139 -0.156) 1.974 4.459 ( -10.835 1.437 -0.592) 10.946 4.665 ( -5.311 -2.387 -2.830) 6.474 5.019 ( 8.220 0.656 3.901) 9.122 5.178 ( -16.224 2.732 -1.678) 16.538 5.784 ( 8.403 -2.876 1.096) 8.948 9.520 ( -10.496 0.219 0.053) 10.498 10.079 ( -1.811 -0.174 0.853) 2.009 10.517 ( 14.994 0.321 -2.062) 15.138 11.572 ( -2.058 -4.245 0.382) 4.733 11.826 ( -11.772 4.504 0.496) 12.614 14.745 ( 10.067 -0.492 -0.480) 10.090 ======================= Grid point 411 (160/489) ======================= q-point: (-0.18 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.105 ( -4.757 2.404 1.108) 5.444 4.183 ( -17.401 -3.650 0.613) 17.791 4.475 ( -11.151 -9.619 -4.358) 15.358 5.001 ( 0.207 -1.490 -2.177) 2.646 5.183 ( 1.256 8.015 5.518) 9.811 5.854 ( -0.354 1.515 -0.423) 1.612 9.335 ( -11.948 3.067 -0.200) 12.337 9.993 ( -8.527 -0.965 0.819) 8.621 10.807 ( 18.841 0.009 -4.584) 19.391 11.385 ( -5.514 -16.414 -2.077) 17.440 11.761 ( -3.601 8.017 5.868) 10.568 14.938 ( 10.479 2.601 -2.000) 10.981 ======================= Grid point 412 (161/489) ======================= q-point: (-0.12 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.029 ( -8.167 3.887 2.117) 9.289 3.819 ( -19.365 -5.410 1.256) 20.146 4.114 ( -14.275 -11.574 -3.478) 18.704 5.053 ( 5.244 1.055 -7.173) 8.948 5.276 ( -1.118 6.296 7.362) 9.751 5.794 ( -9.238 3.519 0.451) 9.896 9.175 ( -11.180 5.725 -1.404) 12.639 9.759 ( -16.597 -1.786 -0.046) 16.693 11.093 ( 8.203 -7.966 -8.711) 14.374 11.164 ( 7.167 -6.164 0.310) 9.458 11.866 ( 8.075 0.040 9.321) 12.333 15.125 ( 8.094 3.505 -3.957) 9.667 ======================= Grid point 413 (162/489) ======================= q-point: (-0.06 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( -11.750 5.637 2.339) 13.240 3.418 ( -20.908 -4.586 1.406) 21.451 3.777 ( -11.003 -8.712 -2.775) 14.306 5.101 ( -0.957 4.316 -8.758) 9.811 5.315 ( -2.540 3.007 1.499) 4.211 5.638 ( -12.823 5.056 6.546) 15.259 9.051 ( -9.406 6.483 -2.560) 11.707 9.416 ( -19.353 -1.683 -1.173) 19.461 10.958 ( -2.657 -6.669 0.013) 7.179 11.422 ( 18.018 -2.646 -12.262) 21.955 12.105 ( 18.750 -6.581 14.829) 24.795 15.253 ( 4.818 2.536 -6.007) 8.107 ======================= Grid point 421 (163/489) ======================= q-point: ( 0.41 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( -0.000 5.047 1.632) 5.304 3.133 ( -0.000 11.480 2.142) 11.678 3.499 ( 0.000 4.103 -2.887) 5.016 4.580 ( 0.000 3.227 -9.959) 10.468 5.506 ( -0.000 9.167 2.271) 9.444 5.990 ( -0.000 17.500 5.304) 18.286 9.142 ( 0.000 12.985 -0.708) 13.005 9.296 ( 0.000 7.463 -4.503) 8.716 10.803 ( 0.000 -12.139 -9.629) 15.494 10.859 ( -0.000 1.413 0.767) 1.607 12.342 ( -0.000 -26.243 7.881) 27.401 15.553 ( 0.000 2.076 -3.974) 4.484 ======================= Grid point 422 (164/489) ======================= q-point: ( 0.47 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( 1.019 3.110 0.732) 3.354 3.325 ( 9.156 8.702 1.772) 12.755 3.615 ( 9.500 4.500 -2.495) 10.804 4.574 ( 0.298 0.861 -7.374) 7.430 5.568 ( -1.983 5.513 1.905) 6.160 6.168 ( -1.407 16.094 3.942) 16.629 9.285 ( -0.501 8.772 -2.693) 9.190 9.395 ( 8.221 10.100 -4.127) 13.661 10.676 ( 0.132 -8.627 -4.016) 9.517 10.906 ( 2.699 2.026 0.376) 3.396 12.097 ( -0.984 -24.121 5.375) 24.733 15.505 ( -6.476 1.823 -3.257) 7.475 ======================= Grid point 423 (165/489) ======================= q-point: ( 0.53 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( 2.506 1.872 0.517) 3.170 3.613 ( 14.350 5.865 1.443) 15.569 3.900 ( 17.700 6.049 -2.081) 18.821 4.565 ( 0.443 -0.126 -4.362) 4.386 5.561 ( -4.288 2.672 1.798) 5.363 6.268 ( -4.510 11.334 2.068) 12.373 9.319 ( -2.199 8.704 -3.725) 9.720 9.714 ( 15.441 8.135 -1.344) 17.504 10.608 ( -0.372 -2.904 -2.042) 3.569 10.988 ( 6.332 -1.272 0.244) 6.463 11.881 ( -0.374 -18.040 3.769) 18.433 15.346 ( -12.092 0.918 -2.754) 12.436 ======================= Grid point 424 (166/489) ======================= q-point: ( 0.59 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( 3.282 0.988 0.452) 3.458 3.939 ( 16.665 4.142 1.068) 17.205 4.310 ( 21.172 7.653 -1.825) 22.586 4.562 ( 1.019 -0.594 -1.945) 2.275 5.484 ( -6.545 -0.518 1.989) 6.860 6.242 ( -8.924 5.776 0.373) 10.637 9.387 ( 1.156 8.670 -1.612) 8.894 9.990 ( 9.431 1.309 -0.130) 9.522 10.567 ( -5.368 3.093 -2.000) 6.510 11.149 ( 17.742 -4.532 -0.766) 18.328 11.765 ( 0.832 -8.065 3.391) 8.788 15.099 ( -15.178 -0.321 -2.087) 15.324 ======================= Grid point 425 (167/489) ======================= q-point: ( 0.65 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( 3.266 0.491 0.318) 3.318 4.271 ( 16.757 2.961 0.331) 17.020 4.551 ( 0.011 1.152 1.510) 1.899 4.775 ( 21.352 7.172 -3.980) 22.874 5.338 ( -7.902 -4.582 2.818) 9.559 6.079 ( -13.496 1.035 -0.717) 13.555 9.513 ( 4.456 6.044 0.019) 7.510 10.088 ( 4.691 -2.701 -0.053) 5.414 10.437 ( -10.740 1.077 -1.006) 10.840 11.496 ( 21.688 1.065 -3.140) 21.940 11.749 ( 1.336 -2.427 4.202) 5.033 14.826 ( -13.901 -0.984 -1.043) 13.975 ======================= Grid point 426 (168/489) ======================= q-point: (-0.29 -0.59 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.110 ( 2.645 0.574 0.303) 2.724 4.520 ( 4.256 1.333 -2.807) 5.270 4.611 ( 11.055 -1.766 5.253) 12.366 5.061 ( -8.574 7.276 -5.573) 12.550 5.259 ( 17.100 -6.655 4.253) 18.836 5.805 ( -17.087 -0.444 -1.199) 17.134 9.627 ( 4.134 -0.126 0.112) 4.137 10.154 ( 5.433 -1.286 -1.251) 5.722 10.258 ( -9.674 2.360 1.416) 10.058 11.689 ( -1.590 -0.042 -1.418) 2.131 11.866 ( 12.206 -0.659 1.329) 12.296 14.634 ( -6.505 0.616 0.029) 6.534 ======================= Grid point 427 (169/489) ======================= q-point: (-0.24 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( 1.336 1.315 0.659) 1.987 4.526 ( -0.954 -1.800 -0.462) 2.089 4.710 ( -1.071 -13.459 0.088) 13.502 4.944 ( -1.136 6.286 1.487) 6.559 5.428 ( -4.779 -10.245 1.035) 11.352 5.632 ( 3.746 12.084 -2.459) 12.888 9.639 ( -1.313 -1.926 0.112) 2.334 10.102 ( -3.699 -2.146 -0.022) 4.277 10.334 ( 7.748 5.649 0.333) 9.595 11.569 ( -6.032 -9.508 -1.080) 11.312 11.975 ( -0.357 0.931 0.948) 1.376 14.637 ( 3.659 4.523 0.035) 5.818 ======================= Grid point 428 (170/489) ======================= q-point: (-0.18 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.184 ( -0.857 2.564 1.371) 3.031 4.378 ( -11.546 -9.741 1.795) 15.213 4.486 ( -5.544 -11.400 -4.359) 13.405 4.968 ( -0.710 -5.371 1.743) 5.692 5.307 ( -2.571 7.425 2.390) 8.213 5.837 ( 5.601 7.112 -2.307) 9.342 9.565 ( -7.946 3.935 0.362) 8.875 10.044 ( -0.624 -3.778 0.396) 3.849 10.546 ( 10.951 3.875 -1.682) 11.738 11.297 ( -7.337 -18.150 -1.369) 19.625 11.922 ( -5.811 0.431 2.727) 6.434 14.814 ( 8.548 7.509 -1.138) 11.435 ======================= Grid point 429 (171/489) ======================= q-point: (-0.12 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.183 ( -3.854 4.023 2.082) 5.948 4.043 ( -14.675 -10.203 1.585) 17.943 4.188 ( -11.041 -15.062 -3.693) 19.037 4.941 ( 3.349 -2.483 -1.990) 4.620 5.398 ( -0.324 8.771 4.102) 9.688 5.931 ( -1.572 5.877 -1.398) 6.242 9.456 ( -11.894 9.032 -0.621) 14.948 9.950 ( -7.396 -4.131 -0.405) 8.481 10.775 ( 13.967 0.005 -4.055) 14.544 11.021 ( -0.878 -18.188 0.914) 18.232 11.836 ( -2.680 -3.480 3.929) 5.894 15.036 ( 7.701 8.054 -2.473) 11.415 ======================= Grid point 430 (172/489) ======================= q-point: (-0.06 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.141 ( -7.239 5.551 2.257) 9.398 3.683 ( -16.360 -8.340 1.420) 18.418 3.848 ( -9.880 -11.643 -2.959) 15.554 4.997 ( 6.151 -1.741 -6.266) 8.951 5.460 ( -3.724 7.268 3.978) 9.084 5.902 ( -8.111 5.973 1.684) 10.213 9.330 ( -13.207 10.454 -2.290) 16.999 9.691 ( -15.604 -4.338 -1.891) 16.306 10.895 ( 2.425 -6.373 -0.966) 6.887 11.038 ( 17.747 -6.543 -2.824) 19.125 11.820 ( 7.476 -9.319 6.190) 13.455 15.207 ( 4.313 6.628 -3.507) 8.650 ======================= Grid point 439 (173/489) ======================= q-point: ( 0.47 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( -0.000 1.477 0.447) 1.543 3.322 ( -0.000 6.180 1.464) 6.351 3.559 ( 0.000 3.440 -2.080) 4.020 4.556 ( 0.000 0.122 -5.019) 5.020 5.641 ( -0.000 4.078 1.242) 4.263 6.342 ( -0.000 13.229 2.603) 13.482 9.337 ( 0.000 7.097 -0.840) 7.147 9.405 ( 0.000 6.930 -7.734) 10.385 10.602 ( -0.000 -4.856 0.779) 4.918 10.916 ( -0.000 3.190 0.815) 3.293 11.881 ( -0.000 -22.086 2.713) 22.252 15.575 ( 0.000 2.006 -2.434) 3.154 ======================= Grid point 440 (174/489) ======================= q-point: ( 0.53 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( 1.351 0.796 1.012) 1.867 3.456 ( 8.856 3.577 1.110) 9.615 3.682 ( 10.921 3.238 -1.468) 11.486 4.548 ( 0.303 0.148 -2.360) 2.384 5.653 ( -2.652 2.279 0.691) 3.564 6.438 ( -2.541 8.575 0.938) 8.993 9.416 ( -1.069 6.838 -3.618) 7.810 9.517 ( 11.353 4.095 -2.346) 12.295 10.586 ( 1.038 -0.629 2.235) 2.543 10.939 ( -0.778 0.128 0.231) 0.822 11.703 ( 1.755 -15.690 1.156) 15.830 15.524 ( -7.122 1.511 -1.975) 7.543 ======================= Grid point 441 (175/489) ======================= q-point: ( 0.59 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( 2.520 0.429 1.584) 3.007 3.692 ( 14.569 1.520 0.894) 14.675 3.981 ( 19.860 2.706 -1.079) 20.073 4.554 ( 0.284 0.602 0.085) 0.671 5.597 ( -5.528 0.329 0.260) 5.544 6.425 ( -6.158 3.581 -0.663) 7.154 9.451 ( -0.758 5.625 -0.992) 5.762 9.790 ( 14.569 1.205 -0.574) 14.630 10.665 ( 3.706 7.345 0.863) 8.272 10.874 ( 0.514 -9.422 -0.550) 9.452 11.656 ( 4.314 -5.637 1.009) 7.169 15.351 ( -13.088 0.871 -1.494) 13.202 ======================= Grid point 442 (176/489) ======================= q-point: (-0.35 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.002 ( 3.081 0.034 1.624) 3.483 3.982 ( 17.313 -0.341 0.723) 17.331 4.388 ( 24.242 0.679 -1.199) 24.281 4.569 ( 0.024 1.373 2.332) 2.707 5.470 ( -8.430 -1.182 -0.340) 8.519 6.292 ( -10.268 -0.412 -1.788) 10.431 9.495 ( 1.549 1.076 1.118) 2.193 9.981 ( 7.085 0.151 -0.264) 7.092 10.638 ( -10.306 0.729 -0.045) 10.332 11.055 ( 24.487 0.149 -0.926) 24.505 11.702 ( 3.272 -1.350 1.170) 3.728 15.096 ( -16.096 0.880 -0.636) 16.132 ======================= Grid point 443 (177/489) ======================= q-point: (-0.29 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.062 ( 3.348 -0.142 1.298) 3.593 4.269 ( 16.838 -3.400 0.314) 17.181 4.566 ( 0.166 -0.999 2.679) 2.864 4.822 ( 23.386 -1.955 0.914) 23.485 5.289 ( -10.559 0.093 -1.968) 10.741 6.064 ( -13.282 -1.544 -2.194) 13.551 9.520 ( 3.627 -5.843 0.639) 6.907 10.081 ( 4.136 1.965 -0.796) 4.648 10.469 ( -10.013 2.275 2.293) 10.521 11.514 ( 23.825 2.998 -2.077) 24.103 11.711 ( -0.620 -3.697 1.085) 3.903 14.842 ( -13.896 2.712 0.577) 14.170 ======================= Grid point 444 (178/489) ======================= q-point: (-0.24 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.125 ( 3.402 0.179 1.001) 3.550 4.457 ( 10.095 -8.503 -1.162) 13.250 4.544 ( -0.769 -5.524 4.107) 6.927 5.032 ( 0.776 -10.262 5.883) 11.855 5.233 ( 7.525 6.180 -7.051) 12.022 5.838 ( -10.492 3.544 -2.023) 11.258 9.523 ( 5.764 -8.753 -0.102) 10.481 10.131 ( 0.140 -1.290 -2.418) 2.744 10.399 ( -4.626 9.305 5.174) 11.608 11.587 ( -6.794 -8.878 -0.441) 11.188 11.856 ( 13.055 0.019 -1.426) 13.133 14.716 ( -5.443 6.685 1.325) 8.722 ======================= Grid point 445 (179/489) ======================= q-point: (-0.18 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.189 ( 2.841 1.064 0.936) 3.175 4.402 ( -3.235 -16.505 1.190) 16.861 4.425 ( -3.419 -9.573 -0.290) 10.170 4.947 ( -1.793 -5.572 3.808) 6.983 5.360 ( 3.215 3.773 -2.752) 5.670 5.835 ( 2.420 8.593 -2.172) 9.187 9.565 ( 7.415 -5.344 0.379) 9.147 10.057 ( -4.616 -2.408 -0.812) 5.270 10.500 ( 2.228 9.175 2.838) 9.859 11.296 ( -11.965 -14.922 -1.080) 19.157 11.953 ( 0.985 -3.154 -0.433) 3.333 14.796 ( 3.579 10.082 0.735) 10.723 ======================= Grid point 446 (180/489) ======================= q-point: (-0.12 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.246 ( 1.139 2.371 1.035) 2.826 4.130 ( -8.967 -14.561 1.227) 17.144 4.185 ( -8.194 -16.246 -1.470) 18.255 4.889 ( -0.432 -2.579 1.201) 2.878 5.464 ( 2.804 6.755 0.417) 7.325 5.969 ( 3.297 6.193 -1.760) 7.233 9.662 ( 2.756 4.288 0.692) 5.144 9.939 ( -3.356 -6.309 -0.198) 7.149 10.646 ( 4.718 6.206 0.122) 7.797 10.918 ( -10.355 -16.969 -0.600) 19.888 11.862 ( -4.619 -6.709 0.607) 8.168 15.000 ( 6.650 10.571 -0.392) 12.495 ======================= Grid point 447 (181/489) ======================= q-point: (-0.06 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.276 ( -1.771 3.894 1.050) 4.405 3.827 ( -11.426 -11.838 1.578) 16.528 3.867 ( -8.028 -13.775 -2.326) 16.112 4.888 ( 2.353 -1.349 -1.993) 3.366 5.567 ( 0.529 6.128 1.408) 6.310 6.039 ( -1.211 4.671 0.333) 4.837 9.663 ( -11.864 9.114 0.324) 14.965 9.822 ( -4.029 -5.087 -3.080) 7.183 10.695 ( 5.903 -13.980 2.497) 15.379 10.787 ( 5.771 2.373 -1.914) 6.527 11.703 ( -3.028 -10.226 1.303) 10.744 15.201 ( 4.824 8.696 -1.100) 10.005 ======================= Grid point 457 (182/489) ======================= q-point: ( 0.53 0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( -0.000 0.289 2.101) 2.120 3.405 ( -0.000 1.538 0.806) 1.736 3.605 ( 0.000 1.857 -0.832) 2.035 4.546 ( 0.000 0.734 -0.031) 0.735 5.695 ( 0.000 1.015 -0.108) 1.021 6.525 ( 0.000 4.106 -0.552) 4.143 9.427 ( 0.000 2.385 -0.039) 2.385 9.488 ( 0.000 4.993 -1.974) 5.369 10.573 ( -0.000 -1.104 1.878) 2.179 10.970 ( -0.000 1.364 -0.009) 1.364 11.548 ( 0.000 -9.798 -0.323) 9.803 15.596 ( 0.000 1.176 -1.583) 1.972 ======================= Grid point 458 (183/489) ======================= q-point: (-0.41 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( 1.354 -0.027 2.974) 3.268 3.492 ( 8.811 -0.402 0.629) 8.842 3.716 ( 11.336 0.623 -0.345) 11.358 4.563 ( 0.247 1.538 2.305) 2.783 5.671 ( -2.945 -0.522 -0.775) 3.089 6.513 ( -2.848 -0.749 -2.066) 3.598 9.514 ( -0.221 1.409 1.450) 2.033 9.558 ( 10.554 2.431 1.633) 10.953 10.587 ( 3.684 -2.108 -0.506) 4.274 10.924 ( -5.373 0.075 -0.535) 5.400 11.539 ( 4.425 -0.296 -0.385) 4.452 15.536 ( -7.257 0.664 -1.260) 7.395 ======================= Grid point 459 (184/489) ======================= q-point: (-0.35 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.958 ( 2.300 -0.755 2.833) 3.727 3.689 ( 14.612 -2.327 0.631) 14.809 3.990 ( 19.816 -1.414 -0.177) 19.867 4.596 ( 0.048 2.252 4.409) 4.951 5.579 ( -5.781 -1.732 -1.623) 6.249 6.400 ( -5.902 -4.797 -3.201) 8.252 9.496 ( -1.685 -3.060 3.365) 4.850 9.807 ( 13.486 0.395 1.310) 13.555 10.649 ( 5.881 -6.523 -0.829) 8.821 10.876 ( 0.058 8.663 -0.306) 8.668 11.641 ( 4.042 3.640 -0.538) 5.466 15.360 ( -12.834 0.716 -0.581) 12.867 ======================= Grid point 460 (185/489) ======================= q-point: (-0.29 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( 3.166 -1.587 1.946) 4.041 3.933 ( 16.680 -5.137 0.509) 17.461 4.330 ( 21.300 -5.778 0.145) 22.070 4.641 ( 0.901 2.918 6.066) 6.791 5.435 ( -7.630 -1.310 -3.038) 8.316 6.203 ( -8.293 -6.626 -3.571) 11.199 9.421 ( -0.595 -8.668 1.713) 8.855 9.989 ( 7.922 -2.052 -0.227) 8.186 10.624 ( -3.610 1.608 3.914) 5.562 11.152 ( 19.080 5.939 -0.669) 19.994 11.714 ( -0.200 3.882 -1.748) 4.262 15.127 ( -14.745 2.152 0.661) 14.916 ======================= Grid point 461 (186/489) ======================= q-point: (-0.24 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.051 ( 4.213 -2.006 0.932) 4.758 4.137 ( 14.314 -9.949 0.091) 17.433 4.492 ( 4.871 -9.931 3.248) 11.528 4.786 ( 11.173 -0.837 5.612) 12.531 5.302 ( -5.353 2.687 -5.631) 8.221 5.987 ( -7.688 -4.615 -3.108) 9.490 9.338 ( 2.947 -10.954 0.175) 11.345 10.048 ( 4.554 -6.250 -2.414) 8.101 10.623 ( -5.716 10.632 8.156) 14.568 11.484 ( 13.026 -8.787 2.788) 15.959 11.725 ( -0.353 9.689 -6.653) 11.758 14.935 ( -11.044 5.375 2.079) 12.457 ======================= Grid point 462 (187/489) ======================= q-point: (-0.18 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( 5.193 -1.769 0.129) 5.487 4.193 ( 6.548 -15.903 -0.662) 17.211 4.391 ( -3.009 -13.924 4.016) 14.800 4.912 ( 2.714 -3.063 6.327) 7.535 5.313 ( 3.760 5.195 -6.862) 9.392 5.874 ( -0.970 0.525 -2.299) 2.550 9.330 ( 8.404 -9.645 0.329) 12.797 10.024 ( 2.446 -8.497 -2.304) 9.137 10.673 ( -5.838 13.158 8.462) 16.698 11.366 ( -8.997 -11.949 0.335) 14.961 11.871 ( 4.766 4.026 -5.313) 8.194 14.892 ( -2.763 8.939 2.588) 9.707 ======================= Grid point 463 (188/489) ======================= q-point: (-0.12 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.195 ( 5.423 -0.910 -0.485) 5.521 4.056 ( -1.380 -17.616 -1.147) 17.708 4.156 ( -6.826 -17.052 3.041) 18.618 4.910 ( -2.128 0.220 4.446) 4.933 5.436 ( 6.008 4.232 -3.648) 8.204 5.932 ( 5.242 2.212 -1.765) 5.957 9.447 ( 14.010 -6.444 1.165) 15.465 9.948 ( -0.761 -9.243 -0.054) 9.275 10.728 ( -4.248 10.751 5.432) 12.773 11.036 ( -15.320 -8.466 -1.885) 17.604 11.870 ( -3.461 -3.192 -3.102) 5.638 15.015 ( 3.870 10.165 1.898) 11.041 ======================= Grid point 475 (189/489) ======================= q-point: (-0.41 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( -0.000 -0.559 4.012) 4.051 3.399 ( -0.000 -2.457 0.209) 2.466 3.617 ( -0.000 -0.547 0.367) 0.659 4.593 ( -0.000 2.555 4.819) 5.454 5.680 ( 0.000 -1.973 -1.598) 2.539 6.496 ( 0.000 -5.694 -3.567) 6.719 9.436 ( -0.000 -1.787 0.934) 2.017 9.578 ( -0.000 1.009 7.196) 7.266 10.534 ( 0.000 -0.894 -2.096) 2.278 10.960 ( 0.000 -1.930 -0.973) 2.161 11.539 ( 0.000 8.818 -1.214) 8.901 15.600 ( 0.000 0.137 -1.183) 1.191 ======================= Grid point 476 (190/489) ======================= q-point: (-0.35 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( 0.945 -1.836 3.670) 4.211 3.446 ( 9.075 -4.562 0.116) 10.157 3.703 ( 10.704 -1.961 0.685) 10.904 4.642 ( -0.025 3.231 7.260) 7.947 5.622 ( -2.821 -3.321 -2.535) 5.041 6.382 ( -2.277 -10.047 -4.793) 11.362 9.466 ( 3.024 -5.828 1.504) 6.736 9.609 ( 5.331 -3.527 6.612) 9.197 10.564 ( 1.994 4.263 0.239) 4.712 10.929 ( -0.161 -0.366 -0.704) 0.810 11.669 ( 1.505 13.026 -2.347) 13.321 15.535 ( -6.821 0.065 -0.811) 6.870 ======================= Grid point 477 (191/489) ======================= q-point: (-0.29 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.936 ( 2.118 -3.551 2.175) 4.672 3.600 ( 14.423 -7.072 0.147) 16.064 3.928 ( 17.688 -4.745 0.725) 18.328 4.697 ( -0.454 3.179 9.137) 9.685 5.507 ( -4.810 -3.567 -3.708) 7.043 6.196 ( -3.762 -12.563 -5.326) 14.154 9.372 ( -3.258 -9.900 1.613) 10.546 9.742 ( 12.681 -9.284 1.391) 15.778 10.685 ( 2.342 9.368 5.890) 11.311 10.990 ( 6.558 2.516 0.646) 7.054 11.803 ( -0.954 13.825 -4.241) 14.493 15.376 ( -11.400 1.048 0.231) 11.451 ======================= Grid point 478 (192/489) ======================= q-point: (-0.24 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( 3.845 -4.823 0.577) 6.196 3.775 ( 15.106 -10.912 -0.269) 18.637 4.171 ( 16.381 -10.197 1.482) 19.353 4.755 ( 0.758 2.954 9.674) 10.143 5.379 ( -4.680 -1.600 -4.907) 6.967 5.987 ( -3.478 -12.021 -5.018) 13.482 9.218 ( -1.653 -10.976 0.105) 11.100 9.819 ( 9.408 -13.507 -1.750) 16.553 10.843 ( -1.428 13.810 11.313) 17.909 11.182 ( 12.753 -2.907 1.888) 13.216 11.882 ( -4.206 15.362 -7.587) 17.642 15.191 ( -11.927 3.353 1.941) 12.541 ======================= Grid point 479 (193/489) ======================= q-point: (-0.18 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.981 ( 5.910 -5.241 -0.624) 7.924 3.873 ( 11.241 -15.945 -0.995) 19.534 4.235 ( 4.919 -16.260 3.498) 17.344 4.866 ( 4.701 2.933 8.740) 10.348 5.306 ( -1.068 1.314 -5.889) 6.128 5.833 ( 0.190 -8.424 -4.237) 9.432 9.125 ( 3.529 -9.649 0.210) 10.277 9.808 ( 7.256 -15.184 -2.361) 16.994 10.966 ( -6.326 15.518 13.268) 21.375 11.282 ( 4.603 -11.238 1.904) 12.292 11.942 ( -3.777 15.968 -10.559) 19.512 15.072 ( -7.534 6.254 3.578) 10.425 ======================= Grid point 480 (194/489) ======================= q-point: (-0.12 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( 7.714 -4.735 -1.473) 9.170 3.831 ( 5.123 -19.237 -1.469) 19.962 4.079 ( -2.955 -17.742 3.850) 18.394 4.977 ( 0.174 3.448 8.512) 9.185 5.341 ( 5.334 1.602 -5.981) 8.173 5.812 ( 6.250 -5.016 -3.295) 8.665 9.161 ( 10.215 -7.456 1.467) 12.731 9.762 ( 6.041 -15.963 -0.732) 17.084 10.998 ( -9.531 9.353 10.770) 17.156 11.167 ( -6.479 -4.054 -0.182) 7.645 11.957 ( -6.706 9.079 -9.410) 14.696 15.086 ( -0.684 7.926 4.057) 8.930 ======================= Grid point 493 (195/489) ======================= q-point: (-0.35 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( -0.000 -3.523 3.510) 4.973 3.303 ( 0.000 -7.204 -0.579) 7.227 3.592 ( -0.000 -2.301 1.364) 2.675 4.705 ( -0.000 3.446 10.221) 10.786 5.595 ( 0.000 -4.902 -3.487) 6.016 6.257 ( 0.000 -14.755 -6.218) 16.012 9.357 ( -0.000 -7.154 1.158) 7.247 9.540 ( -0.000 -9.452 5.411) 10.891 10.649 ( -0.000 12.788 6.064) 14.153 10.896 ( 0.000 -3.149 -1.207) 3.372 11.812 ( 0.000 18.381 -4.427) 18.907 15.591 ( 0.000 -0.196 -0.888) 0.910 ======================= Grid point 494 (196/489) ======================= q-point: (-0.29 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.871 ( 0.567 -5.952 1.835) 6.254 3.302 ( 9.424 -9.809 -0.642) 13.617 3.652 ( 9.210 -3.587 1.406) 9.984 4.768 ( -0.394 2.043 12.415) 12.588 5.508 ( -2.102 -5.650 -4.331) 7.423 6.062 ( -0.917 -17.462 -7.099) 18.872 9.303 ( 1.042 -10.700 -0.090) 10.751 9.465 ( 4.830 -12.170 2.228) 13.282 10.802 ( -0.728 10.831 6.418) 12.611 10.931 ( 4.641 4.949 5.598) 8.796 11.979 ( -1.270 19.587 -6.878) 20.798 15.535 ( -5.914 0.410 -0.318) 5.936 ======================= Grid point 495 (197/489) ======================= q-point: (-0.24 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( 2.537 -8.021 -0.111) 8.413 3.397 ( 13.959 -13.117 -0.885) 19.176 3.818 ( 13.960 -6.657 1.287) 15.520 4.805 ( -0.405 -0.867 12.692) 12.728 5.397 ( -2.473 -5.072 -4.081) 6.964 5.850 ( -0.524 -16.520 -7.348) 18.088 9.160 ( -3.262 -10.476 -1.307) 11.050 9.477 ( 10.532 -16.139 -0.298) 19.274 10.920 ( 6.343 2.872 2.157) 7.289 11.131 ( 0.723 13.894 15.455) 20.794 12.106 ( -3.880 19.882 -10.061) 22.618 15.411 ( -9.303 2.045 1.212) 9.602 ======================= Grid point 496 (198/489) ======================= q-point: (-0.18 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( 5.383 -9.069 -1.379) 10.636 3.485 ( 13.448 -17.259 -1.544) 21.934 3.956 ( 10.429 -11.907 1.986) 15.952 4.840 ( 3.147 -2.176 10.201) 10.895 5.310 ( -0.694 -4.202 -1.725) 4.595 5.686 ( 1.131 -11.831 -7.527) 14.068 9.017 ( -1.091 -8.161 -0.886) 8.281 9.476 ( 9.766 -18.452 -1.544) 20.934 11.069 ( 8.508 -3.564 1.469) 9.340 11.288 ( -5.547 14.972 18.294) 24.281 12.184 ( -6.053 20.494 -13.601) 25.331 15.284 ( -9.016 4.201 3.464) 10.533 ======================= Grid point 497 (199/489) ======================= q-point: (-0.12 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( 8.448 -8.829 -1.967) 12.377 3.493 ( 9.879 -20.628 -1.788) 22.941 3.928 ( 1.978 -15.606 2.973) 16.010 4.954 ( 7.932 -0.966 7.582) 11.015 5.284 ( 1.701 -2.575 0.783) 3.184 5.611 ( 4.657 -8.109 -8.004) 12.308 8.971 ( 4.219 -5.871 0.757) 7.269 9.447 ( 9.057 -18.710 -0.724) 20.799 11.085 ( -0.179 -8.509 1.011) 8.571 11.383 ( -7.401 15.598 16.484) 23.870 12.207 ( -9.277 18.351 -15.613) 25.818 15.222 ( -5.135 5.689 5.402) 9.377 ======================= Grid point 511 (200/489) ======================= q-point: (-0.29 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( -0.000 -8.874 0.665) 8.899 3.099 ( 0.000 -12.457 -1.378) 12.533 3.544 ( -0.000 -3.502 1.731) 3.907 4.817 ( -0.000 -1.966 14.329) 14.464 5.441 ( 0.000 -8.758 -4.366) 9.786 5.859 ( 0.000 -17.746 -8.350) 19.612 9.153 ( -0.000 -13.663 0.445) 13.670 9.328 ( 0.000 -10.963 -0.941) 11.003 10.846 ( 0.000 -0.778 -0.506) 0.928 11.082 ( -0.000 20.415 18.771) 27.733 12.174 ( 0.000 21.446 -9.619) 23.504 15.588 ( 0.000 0.543 -0.436) 0.696 ======================= Grid point 512 (201/489) ======================= q-point: (-0.24 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 0.893 -11.596 -1.288) 11.702 3.041 ( 9.164 -15.428 -1.634) 18.019 3.578 ( 7.410 -4.738 1.487) 8.920 4.809 ( -0.095 -8.067 13.211) 15.479 5.302 ( 0.593 -17.016 -3.423) 17.367 5.691 ( -0.594 -8.298 -7.773) 11.385 9.042 ( 3.207 -15.171 -1.369) 15.567 9.224 ( 1.010 -10.047 -1.360) 10.189 10.861 ( 2.055 1.073 0.280) 2.335 11.361 ( 0.380 19.229 22.579) 29.660 12.337 ( -2.381 22.029 -12.685) 25.532 15.554 ( -4.721 1.540 0.428) 4.984 ======================= Grid point 513 (202/489) ======================= q-point: (-0.18 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 3.982 -13.230 -2.549) 14.049 3.063 ( 12.977 -18.906 -2.180) 23.034 3.681 ( 9.853 -7.672 1.308) 12.556 4.757 ( 2.336 -11.439 9.442) 15.016 5.129 ( 5.244 -23.649 -1.881) 24.296 5.619 ( -2.300 1.827 -5.424) 6.169 8.940 ( 1.789 -11.740 -2.840) 12.211 9.159 ( 4.377 -12.205 -0.356) 12.971 10.935 ( 4.782 0.158 0.993) 4.886 11.588 ( -3.264 15.523 23.278) 28.168 12.454 ( -4.989 23.002 -15.785) 28.340 15.474 ( -7.145 3.094 2.513) 8.182 ======================= Grid point 514 (203/489) ======================= q-point: (-0.12 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 8.106 -13.419 -2.676) 15.904 3.076 ( 12.442 -21.741 -2.333) 25.158 3.730 ( 5.539 -11.599 1.835) 12.984 4.765 ( 8.913 -9.720 4.948) 14.085 5.034 ( 11.780 -23.392 0.654) 26.199 5.591 ( -4.116 5.825 -4.170) 8.262 8.870 ( 2.758 -7.793 -1.743) 8.449 9.121 ( 6.071 -13.594 0.524) 14.897 10.997 ( 2.612 -2.984 0.714) 4.029 11.713 ( -6.215 12.691 21.494) 25.723 12.517 ( -8.578 22.758 -18.466) 30.537 15.399 ( -6.889 4.308 5.269) 9.684 ======================= Grid point 529 (204/489) ======================= q-point: (-0.24 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 0.000 -15.269 -3.031) 15.567 2.786 ( 0.000 -17.597 -2.201) 17.734 3.474 ( -0.000 -4.494 1.459) 4.724 4.728 ( -0.000 -15.644 11.229) 19.257 5.030 ( 0.000 -30.040 -5.182) 30.484 5.666 ( 0.000 3.533 -3.749) 5.152 8.827 ( 0.000 -18.249 -0.289) 18.252 9.151 ( 0.000 -4.166 -3.610) 5.512 10.868 ( -0.000 2.939 0.302) 2.954 11.626 ( -0.000 17.411 26.456) 31.672 12.543 ( 0.000 23.521 -14.946) 27.868 15.610 ( -0.000 1.691 0.298) 1.717 ======================= Grid point 530 (205/489) ======================= q-point: (-0.18 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 2.254 -17.609 -4.460) 18.304 2.666 ( 8.369 -20.401 -2.695) 22.215 3.482 ( 5.622 -5.564 1.112) 7.987 4.585 ( 2.364 -21.811 8.697) 23.600 4.727 ( 4.436 -32.026 -5.524) 32.800 5.703 ( -1.783 7.384 -0.774) 7.635 8.684 ( 4.939 -18.827 -1.043) 19.492 9.106 ( -1.671 0.171 -2.883) 3.337 10.912 ( 0.854 3.580 0.755) 3.757 11.848 ( -1.555 11.723 25.937) 28.506 12.716 ( -2.884 25.614 -15.912) 30.291 15.601 ( -3.408 2.419 1.462) 4.428 ======================= Grid point 531 (206/489) ======================= q-point: (-0.12 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 6.788 -18.401 -4.362) 20.093 2.626 ( 12.243 -22.594 -2.834) 25.854 3.530 ( 6.250 -7.987 1.087) 10.199 4.462 ( 11.791 -29.048 4.477) 31.668 4.547 ( 8.637 -22.770 -2.973) 24.534 5.734 ( -3.747 8.138 0.347) 8.966 8.609 ( 8.121 -17.829 -1.614) 19.658 9.074 ( -3.279 3.015 -0.824) 4.530 10.962 ( 0.946 2.018 0.863) 2.390 11.966 ( -3.525 6.558 21.983) 23.209 12.845 ( -7.162 26.391 -16.138) 31.753 15.561 ( -5.215 3.284 3.917) 7.302 ======================= Grid point 547 (207/489) ======================= q-point: (-0.18 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 0.000 -21.041 -6.483) 22.017 2.367 ( 0.000 -22.411 -3.120) 22.627 3.384 ( -0.000 -5.047 0.861) 5.120 4.225 ( 0.000 -41.671 -0.282) 41.672 4.430 ( -0.000 -22.003 1.368) 22.046 5.800 ( -0.000 8.092 1.256) 8.189 8.447 ( 0.000 -18.709 -0.336) 18.712 9.145 ( 0.000 6.217 -3.337) 7.056 10.958 ( -0.000 5.538 0.562) 5.566 12.028 ( -0.000 5.025 23.765) 24.290 12.967 ( 0.000 28.393 -13.058) 31.252 15.655 ( -0.000 1.970 1.292) 2.356 ======================= Grid point 548 (208/489) ======================= q-point: (-0.12 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 4.215 -22.675 -6.914) 24.077 2.198 ( 8.396 -24.126 -3.287) 25.756 3.373 ( 3.960 -5.768 0.623) 7.025 3.866 ( 10.009 -43.918 -1.564) 45.071 4.247 ( 3.935 -21.209 1.766) 21.643 5.867 ( -1.908 7.540 1.687) 7.958 8.308 ( 4.948 -17.476 -0.489) 18.170 9.201 ( -2.889 10.699 -1.984) 11.258 11.007 ( -1.146 5.196 0.693) 5.366 12.100 ( -1.231 -0.846 18.229) 18.290 13.187 ( -4.539 29.097 -9.929) 31.078 15.660 ( -1.996 1.951 2.541) 3.774 ======================= Grid point 565 (209/489) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 0.000 -24.829 -8.591) 26.273 1.851 ( 0.000 -26.583 -3.866) 26.862 3.287 ( -0.000 -4.867 0.221) 4.872 3.291 ( 0.000 -49.430 -1.649) 49.458 3.993 ( -0.000 -22.616 1.915) 22.697 5.959 ( -0.000 6.371 1.662) 6.584 8.097 ( 0.000 -15.657 0.087) 15.657 9.359 ( 0.000 16.228 -1.030) 16.261 11.084 ( -0.000 6.344 0.391) 6.357 12.116 ( -0.000 -7.094 12.678) 14.528 13.504 ( 0.000 29.530 -4.486) 29.869 15.694 ( -0.000 0.500 2.307) 2.361 ======================= Grid point 620 (210/489) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( -0.000 0.000 23.669) 23.669 0.467 ( -0.000 0.000 23.669) 23.669 0.943 ( -0.000 0.000 48.372) 48.372 3.096 ( 0.000 -0.000 -1.938) 1.938 3.096 ( 0.000 -0.000 -1.938) 1.938 7.022 ( 0.000 -0.000 -8.697) 8.697 7.622 ( -0.000 0.000 0.699) 0.699 7.622 ( -0.000 0.000 0.699) 0.699 11.321 ( 0.000 -0.000 -0.538) 0.538 11.321 ( 0.000 -0.000 -0.538) 0.538 14.684 ( -0.000 0.000 1.671) 1.671 14.998 ( 0.000 -0.000 -0.656) 0.656 ======================= Grid point 621 (211/489) ======================= q-point: ( 0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 19.706 11.377 13.997) 26.715 0.952 ( 15.620 9.018 25.422) 31.171 1.461 ( 34.114 19.696 25.839) 47.110 3.104 ( 1.536 0.887 -2.454) 3.028 3.233 ( 11.352 6.554 -1.499) 13.194 6.241 ( -13.612 -7.859 5.160) 16.543 7.687 ( 5.000 2.886 1.061) 5.870 9.536 ( 53.890 31.113 -49.164) 79.305 11.129 ( -5.722 -3.303 -10.937) 12.777 11.286 ( -2.713 -1.566 -0.632) 3.196 14.560 ( -10.705 -6.181 4.597) 13.188 15.296 ( 15.260 8.810 -14.131) 22.587 ======================= Grid point 622 (212/489) ======================= q-point: ( 0.24 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 23.023 13.293 7.921) 27.740 1.353 ( 13.900 8.025 22.518) 27.653 2.431 ( 41.524 23.974 10.470) 49.077 3.150 ( 3.076 1.776 -2.835) 4.545 3.584 ( 18.377 10.610 0.200) 21.221 6.050 ( -5.938 -3.428 -2.601) 7.333 7.858 ( 9.374 5.412 1.200) 10.890 9.777 ( -12.600 -7.275 -1.787) 14.659 11.197 ( -4.592 -2.651 -0.662) 5.343 11.271 ( 19.758 11.407 -35.313) 42.041 14.267 ( -15.910 -9.186 10.625) 21.223 15.464 ( 3.655 2.110 -13.664) 14.301 ======================= Grid point 623 (213/489) ======================= q-point: ( 0.29 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 15.920 9.192 14.249) 23.259 1.877 ( 22.153 12.790 5.192) 26.102 3.224 ( 4.092 2.363 -3.063) 5.631 3.391 ( 38.640 22.309 3.580) 44.761 4.050 ( 20.767 11.990 2.404) 24.100 5.908 ( -5.577 -3.220 -4.463) 7.835 8.123 ( 13.052 7.535 1.058) 15.108 9.382 ( -17.797 -10.275 2.415) 20.692 11.080 ( -5.145 -2.970 -0.574) 5.968 11.572 ( 13.014 7.514 -29.380) 33.000 13.910 ( -18.477 -10.668 16.608) 27.037 15.418 ( -2.947 -1.701 -13.806) 14.219 ======================= Grid point 624 (214/489) ======================= q-point: ( 0.35 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 17.004 9.817 7.546) 21.035 2.377 ( 19.547 11.286 3.705) 22.873 3.315 ( 4.453 2.571 -3.143) 6.027 4.215 ( 31.623 18.258 -3.016) 36.639 4.531 ( 19.310 11.149 4.634) 22.774 5.768 ( -5.179 -2.990 -2.573) 6.510 8.457 ( 15.214 8.784 0.648) 17.579 9.049 ( -10.388 -5.998 0.038) 11.995 10.967 ( -4.234 -2.445 -0.315) 4.899 11.658 ( 1.769 1.021 -23.451) 23.540 13.510 ( -21.448 -12.383 19.344) 31.425 15.289 ( -3.491 -2.016 -12.841) 13.459 ======================= Grid point 625 (215/489) ======================= q-point: ( 0.41 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( 16.151 9.325 2.968) 18.884 2.800 ( 15.964 9.217 2.807) 18.646 3.406 ( 4.127 2.382 -3.092) 5.680 4.779 ( 17.238 9.952 -11.687) 23.082 4.967 ( 17.007 9.819 5.775) 20.469 5.690 ( -0.335 -0.194 4.320) 4.337 8.814 ( 14.985 8.652 0.028) 17.304 8.923 ( -0.041 -0.024 -2.196) 2.197 10.890 ( -2.209 -1.275 0.143) 2.554 11.528 ( -6.351 -3.667 -18.928) 20.299 13.017 ( -26.190 -15.121 16.243) 34.328 15.214 ( 0.332 0.192 -8.329) 8.337 ======================= Grid point 626 (216/489) ======================= q-point: ( 0.47 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( 13.255 7.653 -0.290) 15.308 3.132 ( 11.940 6.894 2.222) 13.965 3.482 ( 3.145 1.816 -2.906) 4.650 4.931 ( 1.279 0.738 -13.604) 13.684 5.324 ( 12.085 6.977 2.518) 14.180 5.822 ( 8.661 5.001 9.903) 14.075 9.030 ( 9.840 5.681 -3.859) 12.000 9.132 ( 12.178 7.031 -0.662) 14.077 10.867 ( 0.010 0.006 0.725) 0.725 11.282 ( -9.815 -5.667 -13.979) 17.996 12.413 ( -28.761 -16.605 10.580) 34.855 15.245 ( 3.428 1.979 -3.010) 4.973 ======================= Grid point 627 (217/489) ======================= q-point: ( 0.53 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( 8.639 4.988 -3.140) 10.458 3.367 ( 7.777 4.490 1.708) 9.141 3.529 ( 1.647 0.951 -2.486) 3.130 4.862 ( -2.260 -1.305 -9.782) 10.124 5.549 ( 7.008 4.046 0.598) 8.114 6.057 ( 7.512 4.337 9.169) 12.622 9.335 ( 17.260 9.965 -5.366) 20.640 9.362 ( 7.761 4.481 -1.145) 9.035 10.886 ( 1.062 0.613 1.177) 1.700 10.993 ( -12.595 -7.272 -7.495) 16.361 11.813 ( -23.320 -13.464 5.628) 27.510 15.329 ( 3.642 2.103 0.462) 4.231 ======================= Grid point 628 (218/489) ======================= q-point: ( 0.59 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.299 ( 2.702 1.560 -5.665) 6.468 3.490 ( 1.640 0.947 -0.365) 1.929 3.553 ( 1.771 1.022 -0.299) 2.066 4.817 ( 1.171 0.676 -5.481) 5.645 5.651 ( 1.878 1.084 -1.163) 2.461 6.193 ( 1.446 0.835 8.201) 8.369 9.483 ( 3.003 1.734 -1.164) 3.658 9.760 ( 19.476 11.245 -7.350) 23.660 10.628 ( -16.809 -9.705 0.526) 19.416 10.909 ( 0.246 0.142 1.223) 1.256 11.458 ( -7.433 -4.291 1.639) 8.738 15.401 ( 1.997 1.153 2.358) 3.298 ======================= Grid point 629 (219/489) ======================= q-point: (-0.35 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.271 ( -3.261 -1.883 -6.680) 7.668 3.450 ( -3.839 -2.217 -1.522) 4.688 3.599 ( 1.097 0.633 1.120) 1.691 4.893 ( 6.423 3.708 -2.907) 7.966 5.627 ( -3.522 -2.034 -2.026) 4.544 6.167 ( -5.941 -3.430 7.371) 10.069 9.493 ( -1.878 -1.084 -0.725) 2.287 9.910 ( -11.456 -6.614 -1.305) 13.292 10.532 ( 15.946 9.207 -3.299) 18.706 10.899 ( -1.321 -0.762 0.824) 1.733 11.447 ( 4.885 2.820 1.351) 5.800 15.435 ( 0.254 0.147 3.776) 3.787 ======================= Grid point 630 (220/489) ======================= q-point: (-0.29 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( -8.140 -4.700 -5.609) 10.946 3.312 ( -7.756 -4.478 -0.967) 9.008 3.602 ( -1.092 -0.630 0.945) 1.575 5.081 ( 10.103 5.833 -3.150) 12.084 5.479 ( -8.584 -4.956 -1.391) 10.009 5.963 ( -13.575 -7.838 6.637) 17.022 9.387 ( -7.285 -4.206 -0.097) 8.412 9.542 ( -16.574 -9.569 4.186) 19.591 10.863 ( -1.592 -0.919 0.193) 1.849 11.044 ( 25.984 15.002 -8.758) 31.256 11.647 ( 10.996 6.348 1.521) 12.788 15.448 ( -0.085 -0.049 5.341) 5.342 ======================= Grid point 631 (221/489) ======================= q-point: (-0.24 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( -12.457 -7.192 -3.128) 14.720 3.082 ( -11.928 -6.887 -0.229) 13.775 3.559 ( -2.763 -1.595 0.713) 3.269 5.211 ( -10.476 -6.049 -7.553) 14.261 5.327 ( 7.030 4.059 -0.075) 8.117 5.588 ( -19.503 -11.260 8.538) 24.085 9.155 ( -12.578 -7.262 0.324) 14.527 9.228 ( -11.289 -6.518 5.202) 14.035 10.843 ( 0.174 0.101 -0.313) 0.372 11.633 ( 27.304 15.764 -11.250) 33.475 11.920 ( 11.307 6.528 1.700) 13.167 15.479 ( 1.363 0.787 6.581) 6.767 ======================= Grid point 632 (222/489) ======================= q-point: (-0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( -16.545 -9.552 0.081) 19.105 2.757 ( -16.121 -9.308 0.696) 18.628 3.483 ( -3.861 -2.229 0.479) 4.484 4.868 ( -16.593 -9.580 -2.145) 19.280 4.981 ( -28.343 -16.364 -0.701) 32.736 5.602 ( 9.398 5.426 2.157) 11.064 8.821 ( -15.893 -9.176 0.337) 18.355 9.072 ( -3.226 -1.863 4.498) 5.841 10.875 ( 2.768 1.598 -0.497) 3.234 12.117 ( 10.658 6.154 -17.914) 21.734 12.264 ( 24.199 13.971 7.967) 29.056 15.554 ( 3.168 1.829 6.078) 7.093 ======================= Grid point 633 (223/489) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -19.857 -11.464 3.766) 23.236 2.342 ( -19.965 -11.527 1.970) 23.137 3.387 ( -4.361 -2.518 0.184) 5.039 4.215 ( -36.892 -21.300 1.161) 42.615 4.452 ( -18.935 -10.932 -2.680) 22.028 5.808 ( 7.855 4.535 -0.496) 9.083 8.445 ( -16.106 -9.299 0.104) 18.597 9.116 ( 6.020 3.476 2.903) 7.533 10.963 ( 4.777 2.758 -0.464) 5.536 12.204 ( 1.550 0.895 -11.142) 11.285 12.883 ( 26.739 15.438 2.678) 30.991 15.647 ( 3.116 1.799 2.944) 4.649 ======================= Grid point 638 (224/489) ======================= q-point: ( 0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -0.000 22.771 15.716) 27.668 1.031 ( -0.000 25.627 19.774) 32.369 1.507 ( -0.000 30.329 31.228) 43.532 3.111 ( 0.000 2.456 -2.286) 3.355 3.206 ( 0.000 11.993 -2.326) 12.216 6.252 ( -0.000 -17.798 4.037) 18.251 7.673 ( -0.000 5.098 0.642) 5.138 9.350 ( 0.000 62.284 -43.277) 75.843 11.179 ( 0.000 -1.420 -10.734) 10.827 11.286 ( 0.000 -3.116 -0.650) 3.183 14.561 ( -0.000 -13.641 4.629) 14.405 15.242 ( 0.000 16.180 -11.882) 20.075 ======================= Grid point 639 (225/489) ======================= q-point: ( 0.24 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 9.208 24.271 11.204) 28.274 1.381 ( 5.883 15.837 24.075) 29.411 2.182 ( 24.692 37.110 14.297) 46.811 3.140 ( 0.936 4.014 -2.698) 4.926 3.445 ( 11.170 15.179 -1.038) 18.874 6.080 ( -4.042 -7.629 -2.077) 8.880 7.794 ( 5.756 7.664 0.985) 9.635 9.744 ( 5.801 0.869 -10.929) 12.404 11.111 ( -1.940 9.316 -20.828) 22.899 11.266 ( 0.162 5.043 -9.433) 10.698 14.360 ( -6.703 -17.137 8.739) 20.371 15.393 ( 4.240 7.851 -13.352) 16.059 ======================= Grid point 640 (226/489) ======================= q-point: ( 0.29 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 9.064 14.305 18.902) 25.379 1.762 ( 13.789 22.102 7.435) 27.091 3.062 ( 30.730 32.377 4.949) 44.912 3.207 ( 2.127 5.727 -2.954) 6.786 3.856 ( 17.253 15.524 1.635) 23.267 5.937 ( -4.146 -5.049 -4.866) 8.147 8.023 ( 9.483 10.551 1.245) 14.241 9.541 ( -12.709 -15.084 3.026) 19.955 11.086 ( -0.869 -4.157 -3.918) 5.778 11.403 ( 7.478 16.009 -28.910) 33.882 14.065 ( -10.499 -18.230 14.042) 25.293 15.417 ( -1.842 1.866 -13.747) 13.995 ======================= Grid point 641 (227/489) ======================= q-point: ( 0.35 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 11.348 13.285 11.748) 21.055 2.252 ( 14.886 20.225 5.155) 25.636 3.298 ( 2.321 6.875 -3.149) 7.910 3.889 ( 29.086 25.486 -2.147) 38.732 4.335 ( 18.843 13.965 4.812) 23.942 5.802 ( -4.144 -4.150 -4.248) 7.241 8.335 ( 11.980 12.997 1.263) 17.721 9.178 ( -12.740 -10.358 1.763) 16.514 11.003 ( -2.785 -3.292 -0.922) 4.410 11.540 ( 4.754 4.768 -25.306) 26.187 13.721 ( -13.828 -18.832 17.706) 29.314 15.310 ( -5.141 -0.203 -13.495) 14.443 ======================= Grid point 642 (228/489) ======================= q-point: ( 0.41 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 12.991 11.687 5.759) 18.399 2.703 ( 12.810 18.306 3.892) 22.679 3.399 ( 1.827 7.733 -3.220) 8.574 4.527 ( 21.291 15.228 -9.501) 27.847 4.801 ( 17.075 12.317 6.750) 22.110 5.704 ( -1.655 -2.060 0.431) 2.678 8.691 ( 12.295 13.772 1.158) 18.498 8.951 ( -4.960 -2.798 -0.722) 5.740 10.931 ( -2.903 -0.483 -0.295) 2.957 11.494 ( -1.707 -3.810 -20.700) 21.116 13.298 ( -19.436 -19.605 16.461) 32.141 15.197 ( -2.314 -0.115 -10.083) 10.346 ======================= Grid point 643 (229/489) ======================= q-point: ( 0.47 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 12.596 8.906 1.516) 15.501 3.082 ( 9.182 16.734 2.818) 19.295 3.491 ( 0.723 8.045 -3.141) 8.666 4.833 ( 7.412 3.689 -13.486) 15.825 5.194 ( 12.964 9.109 4.240) 16.401 5.757 ( 6.393 2.881 7.524) 10.285 8.922 ( 5.658 2.466 -1.341) 6.316 9.060 ( 9.345 14.849 -0.521) 17.552 10.894 ( -2.005 1.518 0.109) 2.517 11.306 ( -5.840 -7.170 -16.079) 18.549 12.752 ( -25.540 -18.956 11.284) 33.749 15.179 ( 2.948 -0.305 -4.506) 5.393 ======================= Grid point 644 (230/489) ======================= q-point: ( 0.53 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.054 ( 10.131 5.516 -1.890) 11.689 3.370 ( 4.655 14.991 1.867) 15.808 3.562 ( -0.837 7.952 -2.800) 8.472 4.843 ( -0.603 -0.948 -11.570) 11.624 5.457 ( 8.530 4.532 2.150) 9.896 5.977 ( 9.537 3.870 9.015) 13.682 9.128 ( 13.579 6.545 -3.175) 15.405 9.343 ( 5.801 14.117 -0.879) 15.288 10.882 ( -0.739 -0.008 -0.077) 0.743 11.074 ( -7.912 -6.264 -9.908) 14.142 12.144 ( -26.585 -14.285 6.386) 30.848 15.245 ( 5.822 -1.585 -0.250) 6.039 ======================= Grid point 645 (231/489) ======================= q-point: ( 0.59 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( 5.689 1.811 -5.066) 7.830 3.550 ( -0.705 12.226 0.580) 12.260 3.606 ( -2.011 8.269 -1.520) 8.645 4.790 ( -0.059 -0.144 -7.577) 7.579 5.600 ( 4.470 0.569 0.217) 4.511 6.167 ( 5.559 0.746 8.557) 10.231 9.475 ( 15.837 8.593 -3.240) 18.307 9.534 ( 3.927 11.489 -3.313) 12.586 10.803 ( -10.920 -6.814 -4.161) 13.527 10.876 ( -1.357 -3.536 1.961) 4.264 11.667 ( -17.613 -2.718 2.398) 17.982 15.327 ( 5.769 -3.259 2.031) 6.930 ======================= Grid point 646 (232/489) ======================= q-point: (-0.35 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.250 ( 0.126 -1.913 -6.877) 7.139 3.575 ( -6.545 8.188 -2.005) 10.672 3.668 ( -2.645 9.493 1.265) 9.936 4.816 ( 4.330 2.280 -4.784) 6.844 5.625 ( 0.035 -3.051 -1.016) 3.216 6.222 ( -1.119 -3.080 8.067) 8.708 9.580 ( -4.555 7.579 -1.024) 8.901 9.848 ( 12.687 1.336 -6.700) 14.410 10.518 ( -9.045 -0.179 1.845) 9.233 10.868 ( 3.063 -3.584 1.038) 4.827 11.506 ( -5.270 6.713 0.451) 8.546 15.385 ( 4.323 -4.471 3.330) 7.055 ======================= Grid point 647 (233/489) ======================= q-point: (-0.29 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( -4.660 -4.598 -6.263) 9.060 3.491 ( -10.844 6.190 -1.812) 12.617 3.692 ( -4.961 7.798 1.203) 9.320 4.951 ( 8.803 4.146 -4.757) 10.831 5.536 ( -4.581 -5.955 -0.615) 7.538 6.112 ( -8.874 -6.549 7.524) 13.351 9.499 ( -8.620 -0.750 -0.465) 8.665 9.746 ( -13.510 -6.166 1.325) 14.910 10.702 ( 17.141 8.669 -5.396) 19.952 10.915 ( 3.729 4.130 -0.072) 5.565 11.580 ( 4.462 7.804 0.994) 9.045 15.415 ( 3.217 -4.513 4.455) 7.111 ======================= Grid point 648 (234/489) ======================= q-point: (-0.24 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( -8.834 -6.149 -4.095) 11.516 3.307 ( -15.238 3.274 -0.872) 15.610 3.662 ( -6.624 5.886 0.741) 8.892 5.142 ( 8.856 3.428 -10.592) 14.226 5.361 ( -7.038 -6.534 4.217) 10.488 5.832 ( -16.715 -9.322 7.524) 20.565 9.277 ( -10.655 -8.055 1.744) 13.470 9.450 ( -16.219 -1.443 2.579) 16.486 10.853 ( 0.163 1.710 -0.493) 1.787 11.288 ( 24.251 14.473 -11.432) 30.468 11.797 ( 10.670 6.117 3.197) 12.708 15.447 ( 3.447 -3.186 5.315) 7.091 ======================= Grid point 649 (235/489) ======================= q-point: (-0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( -13.349 -6.982 -1.107) 15.105 3.022 ( -19.183 -0.210 0.391) 19.188 3.590 ( -7.469 3.934 0.276) 8.446 5.019 ( -11.934 -7.987 -6.764) 15.874 5.281 ( -16.437 -7.019 -2.790) 18.089 5.524 ( 0.549 -1.097 9.243) 9.324 9.012 ( -12.848 -6.665 1.651) 14.568 9.178 ( -11.887 -2.403 3.170) 12.535 10.870 ( -0.009 2.964 -0.589) 3.022 11.810 ( 23.494 11.711 -22.916) 34.846 12.084 ( 14.564 5.433 13.154) 20.363 15.510 ( 4.507 -1.302 4.874) 6.765 ======================= Grid point 650 (236/489) ======================= q-point: (-0.12 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -18.122 -7.443 2.484) 19.748 2.645 ( -22.383 -3.243 1.750) 22.684 3.488 ( -7.568 2.103 -0.150) 7.857 4.657 ( -20.461 -9.665 -6.131) 23.445 4.683 ( -31.304 -12.105 3.713) 33.768 5.695 ( 9.306 2.990 0.760) 9.804 8.675 ( -18.332 -5.513 0.738) 19.157 9.077 ( 0.764 -0.486 3.076) 3.206 10.919 ( 2.621 2.708 -0.707) 3.835 12.080 ( 9.135 2.633 -21.175) 23.211 12.576 ( 25.566 10.686 12.210) 30.281 15.598 ( 4.669 -0.302 2.168) 5.157 ======================= Grid point 656 (237/489) ======================= q-point: ( 0.24 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -0.000 24.612 10.170) 26.630 1.584 ( -0.000 17.463 22.919) 28.814 2.437 ( -0.000 45.020 11.873) 46.559 3.162 ( 0.000 4.100 -2.707) 4.913 3.524 ( 0.000 20.092 -1.193) 20.128 6.023 ( 0.000 -7.902 -3.542) 8.660 7.836 ( -0.000 10.747 0.778) 10.775 9.663 ( 0.000 -4.584 -3.703) 5.892 11.193 ( 0.000 -5.490 -0.745) 5.541 11.261 ( 0.000 19.266 -31.801) 37.182 14.243 ( -0.000 -21.742 10.201) 24.016 15.405 ( 0.000 8.637 -12.841) 15.475 ======================= Grid point 657 (238/489) ======================= q-point: ( 0.29 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 6.107 21.862 12.298) 25.816 1.851 ( 4.298 18.356 15.417) 24.353 3.051 ( 14.571 41.459 4.701) 44.195 3.221 ( 2.320 5.747 -2.840) 6.817 3.811 ( 8.596 20.812 1.058) 22.542 5.918 ( -2.044 -6.195 -5.140) 8.305 8.013 ( 5.757 13.353 1.121) 14.584 9.537 ( -4.246 -14.923 3.697) 15.950 11.077 ( -3.953 -3.191 -4.501) 6.787 11.385 ( 3.500 14.105 -28.532) 32.020 14.017 ( -3.818 -23.359 13.473) 27.235 15.433 ( -1.014 4.772 -13.049) 13.931 ======================= Grid point 658 (239/489) ======================= q-point: ( 0.35 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 5.159 14.973 14.185) 21.261 2.267 ( 11.604 23.097 6.056) 26.548 3.323 ( 3.051 7.738 -2.941) 8.823 3.740 ( 19.604 32.315 -3.025) 37.917 4.223 ( 13.868 19.258 5.052) 24.263 5.802 ( -2.797 -4.857 -4.807) 7.383 8.300 ( 9.525 16.001 1.699) 18.699 9.271 ( -9.897 -12.669 3.189) 16.390 10.991 ( -0.973 -3.252 -2.503) 4.218 11.454 ( 2.344 5.429 -25.246) 25.929 13.734 ( -6.868 -23.923 16.241) 29.720 15.369 ( -5.119 1.907 -13.016) 14.115 ======================= Grid point 659 (240/489) ======================= q-point: ( 0.41 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 7.818 13.084 8.246) 17.329 2.718 ( 11.599 22.166 5.017) 25.515 3.451 ( 2.274 10.037 -3.198) 10.777 4.317 ( 18.334 18.894 -8.879) 27.784 4.686 ( 14.932 17.747 6.949) 24.212 5.708 ( -1.782 -2.761 -1.512) 3.617 8.658 ( 10.682 17.529 2.411) 20.668 9.023 ( -7.443 -5.008 0.513) 8.986 10.956 ( -0.328 -0.607 -1.067) 1.271 11.404 ( -0.545 -3.671 -21.387) 21.707 13.392 ( -11.017 -24.163 16.163) 31.088 15.238 ( -5.922 0.639 -11.148) 12.639 ======================= Grid point 660 (241/489) ======================= q-point: ( 0.47 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( 9.259 10.208 3.638) 14.254 3.134 ( 9.196 21.356 3.971) 23.589 3.577 ( 0.603 11.836 -3.416) 12.334 4.676 ( 11.444 6.641 -11.403) 17.467 5.097 ( 11.687 12.664 4.354) 17.774 5.712 ( 3.402 1.500 4.499) 5.836 8.886 ( 0.834 1.903 0.913) 2.270 9.077 ( 8.513 18.415 0.412) 20.291 10.953 ( -1.516 2.933 -0.756) 3.387 11.245 ( -2.701 -8.579 -17.243) 19.448 12.956 ( -17.200 -22.824 12.272) 31.103 15.138 ( -1.668 -0.925 -6.765) 7.028 ======================= Grid point 661 (242/489) ======================= q-point: ( 0.53 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( 8.809 6.692 -0.114) 11.063 3.481 ( 5.110 20.440 3.009) 21.283 3.683 ( -1.526 12.976 -3.353) 13.489 4.785 ( 2.722 0.227 -11.515) 11.835 5.369 ( 8.070 5.752 3.058) 10.372 5.876 ( 8.742 3.436 7.471) 12.002 8.991 ( 7.933 5.407 -1.071) 9.660 9.413 ( 6.294 19.425 0.884) 20.439 10.913 ( -4.252 -2.181 -4.825) 6.791 11.087 ( -2.438 -2.623 -8.166) 8.916 12.435 ( -21.677 -17.711 7.075) 28.873 15.122 ( 3.778 -3.673 -2.131) 5.684 ======================= Grid point 662 (243/489) ======================= q-point: ( 0.59 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( 6.384 3.008 -3.516) 7.885 3.733 ( -0.036 19.124 2.425) 19.277 3.760 ( -3.860 13.518 -2.986) 14.372 4.764 ( 0.035 -0.212 -8.715) 8.717 5.522 ( 5.060 0.534 1.642) 5.347 6.075 ( 8.164 0.239 7.682) 11.213 9.252 ( 14.543 7.631 -2.547) 16.620 9.666 ( 0.891 17.233 0.163) 17.256 10.774 ( -1.451 -7.666 -6.031) 9.862 10.999 ( -8.642 1.349 -0.086) 8.747 11.957 ( -18.660 -6.692 2.515) 19.983 15.165 ( 6.906 -6.547 0.857) 9.555 ======================= Grid point 663 (244/489) ======================= q-point: ( 0.65 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.197 ( 2.201 -0.309 -5.896) 6.301 3.796 ( -6.653 13.199 -2.795) 15.043 3.881 ( -4.888 17.528 2.431) 18.359 4.761 ( 2.153 1.510 -6.115) 6.657 5.568 ( 1.953 -3.840 0.101) 4.309 6.190 ( 3.840 -3.711 7.663) 9.340 9.589 ( 15.734 4.684 -5.050) 17.175 9.772 ( -5.068 11.876 -0.014) 12.912 10.716 ( -0.629 0.104 -1.313) 1.459 10.792 ( -10.152 -3.748 2.437) 11.092 11.711 ( -9.905 5.004 -0.711) 11.120 15.223 ( 7.505 -8.366 2.418) 11.496 ======================= Grid point 664 (245/489) ======================= q-point: (-0.29 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.160 ( -2.393 -2.503 -6.038) 6.961 3.764 ( -10.591 11.492 -2.711) 15.862 3.938 ( -8.524 15.689 2.347) 18.009 4.838 ( 6.163 2.874 -5.540) 8.771 5.518 ( -1.215 -7.065 -0.071) 7.170 6.173 ( -2.679 -6.628 7.348) 10.252 9.619 ( -7.119 -5.688 -2.382) 9.418 9.866 ( -0.847 6.170 -0.503) 6.248 10.641 ( -1.591 10.054 -0.925) 10.221 10.840 ( 7.758 1.845 1.546) 8.123 11.656 ( -3.772 7.020 -1.453) 8.100 15.272 ( 6.966 -8.474 3.295) 11.454 ======================= Grid point 665 (246/489) ======================= q-point: (-0.24 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.035 ( -6.388 -3.508 -4.298) 8.461 3.634 ( -15.212 8.516 -1.867) 17.533 3.916 ( -11.107 12.868 1.542) 17.069 4.984 ( 8.947 2.919 -8.405) 12.618 5.395 ( -3.967 -8.065 2.527) 9.336 6.007 ( -10.401 -8.224 6.905) 14.949 9.375 ( -10.201 -9.425 0.937) 13.920 9.746 ( -15.138 2.479 1.301) 15.394 10.853 ( 6.588 10.827 -3.891) 13.258 11.046 ( 13.014 8.480 -2.713) 15.768 11.716 ( 4.790 4.414 0.447) 6.528 15.323 ( 6.669 -6.869 3.645) 10.244 ======================= Grid point 666 (247/489) ======================= q-point: (-0.18 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( -10.271 -3.795 -1.711) 11.082 3.393 ( -19.836 4.882 -0.346) 20.431 3.826 ( -12.020 8.999 0.479) 15.023 5.053 ( -1.597 -3.480 -12.406) 12.984 5.313 ( 1.960 -1.819 4.365) 5.119 5.699 ( -16.937 -8.384 7.895) 20.481 9.122 ( -8.851 -7.870 2.343) 12.073 9.460 ( -18.912 0.196 1.416) 18.965 10.944 ( -3.110 7.233 -0.862) 7.920 11.452 ( 22.421 9.731 -15.488) 28.936 11.919 ( 12.869 2.999 8.038) 15.466 15.394 ( 6.938 -4.506 2.870) 8.757 ======================= Grid point 667 (248/489) ======================= q-point: (-0.12 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( -14.678 -3.707 1.163) 15.183 3.047 ( -23.520 1.473 1.342) 23.604 3.690 ( -11.454 4.911 -0.405) 12.469 4.833 ( -12.387 -5.476 -6.246) 14.914 5.121 ( -25.574 -6.708 -0.197) 26.440 5.568 ( 6.949 0.162 5.080) 8.609 8.915 ( -10.968 -4.272 2.326) 11.998 9.152 ( -12.956 -1.720 1.038) 13.111 10.944 ( -2.266 4.314 -0.917) 4.959 11.813 ( 16.550 4.159 -23.750) 29.245 12.299 ( 21.360 6.009 16.729) 27.789 15.485 ( 6.863 -2.929 0.290) 7.468 ======================= Grid point 674 (249/489) ======================= q-point: ( 0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -0.000 22.975 6.654) 23.919 2.046 ( -0.000 15.601 17.766) 23.643 3.236 ( 0.000 5.009 -3.142) 5.913 3.376 ( -0.000 42.625 0.999) 42.637 3.976 ( -0.000 24.382 2.844) 24.547 5.857 ( 0.000 -5.892 -5.313) 7.933 8.110 ( -0.000 15.727 0.908) 15.753 9.444 ( -0.000 -13.777 5.264) 14.749 11.066 ( 0.000 -6.346 -0.721) 6.387 11.378 ( 0.000 10.273 -31.321) 32.963 13.844 ( -0.000 -25.490 14.751) 29.450 15.455 ( 0.000 4.943 -12.394) 13.343 ======================= Grid point 675 (250/489) ======================= q-point: ( 0.35 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 1.385 14.355 13.699) 19.891 2.334 ( 8.121 21.678 5.445) 23.781 3.316 ( 4.034 5.989 -3.113) 7.864 3.834 ( 7.410 33.859 -5.758) 35.136 4.298 ( 5.797 26.056 6.710) 27.523 5.775 ( -1.298 -4.570 -4.482) 6.531 8.336 ( 6.156 17.683 1.247) 18.765 9.290 ( -4.937 -11.083 4.256) 12.858 10.975 ( -2.123 -4.436 -1.879) 5.265 11.375 ( 2.117 1.843 -26.036) 26.187 13.609 ( -2.633 -26.411 15.873) 30.925 15.433 ( -3.360 3.418 -11.903) 12.832 ======================= Grid point 676 (251/489) ======================= q-point: ( 0.41 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 3.433 12.450 8.894) 15.681 2.745 ( 12.043 20.787 4.829) 24.504 3.467 ( 5.772 8.281 -3.122) 10.566 4.236 ( 10.034 20.207 -9.353) 24.423 4.715 ( 8.694 25.100 6.987) 27.467 5.705 ( -1.310 -2.029 -1.718) 2.965 8.672 ( 9.935 19.148 2.284) 21.693 9.103 ( -7.007 -4.972 1.310) 8.691 10.927 ( 1.159 -1.626 -1.643) 2.586 11.302 ( -0.059 -5.301 -20.880) 21.543 13.322 ( -5.412 -26.981 15.454) 31.561 15.332 ( -6.843 1.927 -10.789) 12.921 ======================= Grid point 677 (252/489) ======================= q-point: ( 0.47 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( 5.535 9.913 4.823) 12.335 3.179 ( 11.926 20.229 4.350) 23.883 3.648 ( 4.498 11.546 -3.582) 12.899 4.526 ( 9.871 8.481 -9.420) 16.065 5.094 ( 7.149 17.524 3.551) 19.256 5.702 ( 1.231 2.430 2.838) 3.934 8.931 ( -2.179 3.183 1.976) 4.334 9.117 ( 8.872 18.596 0.602) 20.613 10.969 ( 3.139 2.560 -1.177) 4.218 11.139 ( -2.582 -9.779 -17.068) 19.840 12.973 ( -9.150 -26.361 12.838) 30.716 15.186 ( -6.918 0.131 -8.221) 10.746 ======================= Grid point 678 (253/489) ======================= q-point: ( 0.53 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 6.428 6.820 1.395) 9.475 3.578 ( 9.168 19.572 4.033) 21.985 3.822 ( 1.433 14.940 -4.053) 15.546 4.682 ( 5.941 1.403 -9.392) 11.201 5.329 ( 4.928 7.737 2.723) 9.569 5.813 ( 4.890 4.883 5.348) 8.739 8.959 ( 2.135 5.752 0.098) 6.136 9.495 ( 8.545 20.676 2.261) 22.486 10.914 ( -5.009 -9.773 -12.224) 16.432 11.076 ( 3.322 5.533 -2.331) 6.862 12.563 ( -13.218 -22.450 8.552) 27.420 15.063 ( -2.882 -3.033 -4.558) 6.187 ======================= Grid point 679 (254/489) ======================= q-point: ( 0.59 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( 5.667 3.637 -1.699) 6.945 3.896 ( 3.724 17.099 2.820) 17.726 3.974 ( -1.388 18.883 -2.824) 19.143 4.722 ( 1.927 0.278 -8.422) 8.644 5.458 ( 3.779 1.245 2.780) 4.854 5.963 ( 6.426 0.669 5.625) 8.566 9.127 ( 8.591 8.600 -0.551) 12.168 9.809 ( 3.890 17.732 2.178) 18.283 10.701 ( -3.130 -10.135 -8.772) 13.765 11.156 ( -3.165 8.290 -0.735) 8.904 12.156 ( -13.635 -13.029 3.744) 19.227 15.001 ( 2.659 -7.098 -1.233) 7.679 ======================= Grid point 680 (255/489) ======================= q-point: ( 0.65 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.136 ( 3.286 0.959 -4.080) 5.325 4.034 ( -4.499 15.399 -2.444) 16.228 4.158 ( -2.578 20.253 3.150) 20.658 4.730 ( 1.148 1.981 -7.022) 7.386 5.498 ( 1.461 -3.687 1.128) 4.123 6.074 ( 6.308 -4.936 6.298) 10.189 9.398 ( 12.013 8.069 -1.908) 14.596 9.965 ( -3.587 10.248 0.885) 10.893 10.590 ( 3.738 -7.126 -3.386) 8.730 11.090 ( -13.501 8.252 1.631) 15.907 11.902 ( -8.484 0.034 -0.930) 8.535 14.999 ( 6.935 -10.190 0.902) 12.359 ======================= Grid point 681 (256/489) ======================= q-point: (-0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( -0.209 -0.700 -4.827) 4.882 4.059 ( -9.059 14.378 -2.898) 17.240 4.277 ( -7.687 18.912 3.921) 20.788 4.769 ( 2.805 3.236 -6.301) 7.619 5.450 ( -0.164 -7.840 0.113) 7.843 6.114 ( 3.319 -8.199 6.520) 10.989 9.596 ( 2.859 -0.892 -3.308) 4.463 9.956 ( -2.583 6.167 0.832) 6.738 10.638 ( 7.216 -5.446 -0.183) 9.042 10.973 ( -11.363 17.486 2.696) 21.028 11.803 ( -6.409 4.264 -3.120) 8.306 15.038 ( 9.058 -10.843 1.912) 14.257 ======================= Grid point 682 (257/489) ======================= q-point: (-0.24 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.088 ( -3.898 -1.239 -3.739) 5.541 3.980 ( -13.907 11.144 -2.451) 17.989 4.290 ( -12.774 16.487 2.857) 21.051 4.854 ( 5.814 2.827 -7.313) 9.761 5.354 ( -0.724 -9.303 1.683) 9.482 6.057 ( -2.535 -8.751 5.938) 10.875 9.455 ( -9.094 -7.662 -0.617) 11.907 9.972 ( -6.204 3.027 0.906) 6.962 10.756 ( 11.479 3.251 -4.371) 12.706 11.083 ( -1.588 18.827 3.842) 19.281 11.727 ( -3.266 0.732 -2.732) 4.320 15.107 ( 9.619 -9.058 1.957) 13.357 ======================= Grid point 683 (258/489) ======================= q-point: (-0.18 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.969 ( -7.473 -1.036 -1.624) 7.717 3.784 ( -18.354 6.721 -1.042) 19.573 4.179 ( -16.124 10.742 0.732) 19.388 4.956 ( 5.346 1.057 -10.966) 12.246 5.276 ( 0.414 -5.750 5.705) 8.110 5.883 ( -10.133 -7.545 5.390) 13.736 9.209 ( -9.660 -6.919 0.894) 11.916 9.786 ( -16.210 0.349 1.590) 16.291 11.042 ( 11.589 8.996 -8.272) 16.843 11.218 ( 0.676 9.927 -1.340) 10.039 11.760 ( 8.834 -0.320 3.931) 9.674 15.201 ( 9.461 -6.244 0.864) 11.368 ======================= Grid point 684 (259/489) ======================= q-point: (-0.12 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( -11.314 -0.483 0.649) 11.343 3.475 ( -22.360 2.629 0.769) 22.527 3.970 ( -15.502 3.812 -0.977) 15.994 4.931 ( -4.819 -0.287 -8.593) 9.856 5.301 ( 1.051 -1.063 0.145) 1.502 5.612 ( -13.054 -4.911 7.812) 15.986 9.008 ( -7.055 -4.321 1.077) 8.343 9.463 ( -20.349 -0.736 1.237) 20.400 11.081 ( -7.861 5.294 -1.031) 9.534 11.465 ( 19.047 2.716 -18.493) 26.686 12.051 ( 18.285 3.462 14.112) 23.355 15.309 ( 8.743 -4.203 -1.611) 9.833 ======================= Grid point 692 (260/489) ======================= q-point: ( 0.35 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -0.000 12.674 11.216) 16.925 2.482 ( -0.000 19.877 4.342) 20.346 3.319 ( 0.000 5.188 -3.450) 6.230 4.067 ( 0.000 27.330 -9.134) 28.816 4.563 ( -0.000 30.307 8.295) 31.422 5.734 ( 0.000 -2.867 -3.112) 4.231 8.463 ( -0.000 18.428 0.675) 18.440 9.252 ( -0.000 -7.421 3.575) 8.238 10.943 ( 0.000 -5.200 -0.405) 5.216 11.264 ( 0.000 -2.996 -24.855) 25.035 13.410 ( -0.000 -27.477 15.519) 31.557 15.466 ( 0.000 3.718 -10.706) 11.333 ======================= Grid point 693 (261/489) ======================= q-point: ( 0.41 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 0.861 10.529 7.671) 13.055 2.766 ( 8.706 18.201 3.769) 20.525 3.415 ( 5.949 5.801 -3.329) 8.951 4.293 ( 3.013 17.980 -10.005) 20.796 4.916 ( 2.628 28.295 6.489) 29.148 5.709 ( -0.607 0.741 -0.439) 1.054 8.716 ( 7.103 18.772 0.946) 20.093 9.168 ( -4.232 -2.621 0.843) 5.049 10.891 ( -0.058 -2.765 -0.781) 2.874 11.157 ( 1.495 -7.914 -19.307) 20.919 13.157 ( -2.374 -28.212 14.203) 31.675 15.429 ( -4.616 3.101 -9.513) 11.019 ======================= Grid point 694 (262/489) ======================= q-point: ( 0.47 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 2.639 8.238 4.537) 9.768 3.151 ( 13.372 16.712 3.567) 21.699 3.611 ( 9.394 8.061 -3.417) 12.841 4.463 ( 4.318 9.104 -8.787) 13.369 5.217 ( 1.856 19.090 2.827) 19.387 5.743 ( 0.112 6.733 2.972) 7.360 9.017 ( 0.399 8.145 1.684) 8.326 9.142 ( 6.288 13.633 -1.306) 15.070 10.904 ( 3.717 -0.465 -1.789) 4.151 11.025 ( -0.395 -9.279 -13.535) 16.415 12.853 ( -4.659 -28.118 11.929) 30.897 15.310 ( -8.421 1.841 -7.961) 11.733 ======================= Grid point 695 (263/489) ======================= q-point: ( 0.53 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( 4.151 5.822 2.033) 7.433 3.563 ( 13.760 15.064 3.691) 20.734 3.865 ( 8.892 12.530 -4.088) 15.899 4.573 ( 4.796 2.334 -6.981) 8.786 5.375 ( 0.371 8.401 1.878) 8.616 5.853 ( 0.563 9.818 3.890) 10.575 9.023 ( -1.941 6.709 -0.674) 7.017 9.527 ( 11.907 19.087 1.634) 22.555 10.828 ( -2.380 -11.075 -11.403) 16.073 11.044 ( 6.454 5.223 -1.051) 8.369 12.514 ( -6.682 -25.749 9.045) 28.098 15.138 ( -9.172 -0.490 -5.805) 10.865 ======================= Grid point 696 (264/489) ======================= q-point: ( 0.59 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( 4.454 3.441 -0.164) 5.630 3.935 ( 10.852 13.263 3.064) 17.409 4.127 ( 4.792 17.479 -3.417) 18.444 4.643 ( 4.579 0.182 -6.133) 7.656 5.440 ( 0.913 1.554 3.241) 3.708 5.945 ( -0.330 4.996 2.926) 5.799 9.117 ( 3.422 9.758 -0.299) 10.345 9.886 ( 7.728 15.584 2.508) 17.574 10.630 ( -3.906 -10.141 -8.737) 13.943 11.231 ( 5.548 9.697 -1.471) 11.268 12.185 ( -6.983 -19.143 5.827) 21.194 14.963 ( -6.102 -4.219 -3.290) 8.116 ======================= Grid point 697 (265/489) ======================= q-point: ( 0.65 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.079 ( 3.475 1.550 -1.992) 4.295 4.202 ( 3.201 13.751 -0.866) 14.145 4.356 ( 2.244 16.527 2.534) 16.870 4.707 ( 2.906 3.855 -7.195) 8.664 5.458 ( 0.497 -2.805 2.859) 4.036 5.964 ( 0.978 -3.473 3.336) 4.914 9.320 ( 7.564 10.536 -0.202) 12.971 10.096 ( 0.453 8.604 2.047) 8.856 10.459 ( -0.608 -9.114 -5.262) 10.542 11.363 ( -4.055 12.031 0.177) 12.697 11.971 ( -2.917 -6.924 1.261) 7.618 14.835 ( -0.234 -8.266 -0.996) 8.329 ======================= Grid point 698 (266/489) ======================= q-point: ( 0.71 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.125 ( 1.410 0.528 -2.918) 3.284 4.320 ( -4.344 13.797 -2.594) 14.696 4.539 ( -0.710 12.833 5.479) 13.971 4.775 ( 0.829 8.104 -6.850) 10.643 5.403 ( -2.963 -5.279 0.015) 6.054 5.955 ( 4.943 -10.393 4.984) 12.541 9.541 ( 5.564 6.701 -1.120) 8.782 10.075 ( -6.118 1.935 0.433) 6.432 10.439 ( 7.520 -6.860 -1.124) 10.241 11.360 ( -10.323 15.363 3.133) 18.772 11.913 ( -3.067 1.588 -3.147) 4.673 14.791 ( 6.073 -10.158 0.449) 11.844 ======================= Grid point 699 (267/489) ======================= q-point: (-0.24 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( -1.400 0.442 -2.525) 2.921 4.311 ( -10.926 11.586 -2.452) 16.113 4.608 ( -4.467 8.243 2.383) 9.674 4.854 ( -1.912 11.169 -3.725) 11.928 5.270 ( -2.236 -9.383 -0.400) 9.654 5.955 ( 4.893 -10.604 4.868) 12.652 9.544 ( -7.139 -2.153 -0.928) 7.514 10.052 ( -0.650 3.120 0.905) 3.313 10.540 ( 11.292 -3.418 -1.982) 11.963 11.391 ( -6.731 18.806 4.741) 20.529 11.814 ( -7.797 -0.886 -4.452) 9.022 14.842 ( 10.117 -8.571 0.594) 13.273 ======================= Grid point 700 (268/489) ======================= q-point: (-0.18 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( -4.571 1.018 -1.083) 4.806 4.152 ( -16.665 6.307 -1.290) 17.865 4.538 ( -12.544 3.879 -0.841) 13.157 4.896 ( -0.813 7.376 -6.081) 9.594 5.201 ( 3.249 -6.412 4.516) 8.490 5.920 ( -0.824 -7.059 3.555) 7.947 9.339 ( -11.136 -3.286 0.079) 11.611 10.007 ( -8.106 0.116 1.657) 8.274 10.770 ( 17.058 1.763 -6.416) 18.309 11.498 ( -9.637 16.537 3.056) 19.383 11.643 ( 0.774 -6.717 -0.114) 6.762 14.961 ( 11.038 -5.208 -0.553) 12.218 ======================= Grid point 701 (269/489) ======================= q-point: (-0.12 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( -8.013 1.889 0.644) 8.258 3.867 ( -20.012 1.262 0.395) 20.056 4.264 ( -16.931 -2.869 -2.660) 17.377 4.949 ( 1.341 5.046 -8.726) 10.169 5.247 ( 3.089 -0.764 6.499) 7.236 5.796 ( -8.717 -3.345 3.489) 9.967 9.127 ( -10.113 -1.260 -0.111) 10.192 9.788 ( -16.564 -0.996 1.679) 16.678 11.087 ( 19.212 2.449 -11.816) 22.687 11.301 ( -12.283 -2.684 -2.224) 12.768 11.840 ( 13.519 4.187 10.616) 17.692 15.102 ( 9.843 -2.527 -2.672) 10.508 ======================= Grid point 710 (270/489) ======================= q-point: ( 0.41 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -0.000 8.193 5.433) 9.830 2.865 ( -0.000 15.896 2.977) 16.172 3.398 ( 0.000 4.866 -3.465) 5.974 4.396 ( 0.000 12.763 -9.766) 16.071 5.186 ( -0.000 24.320 4.413) 24.717 5.749 ( -0.000 6.343 1.921) 6.627 8.831 ( -0.000 17.354 -0.037) 17.354 9.195 ( 0.000 0.739 -1.474) 1.649 10.866 ( -0.000 -2.101 0.233) 2.114 10.994 ( 0.000 -9.742 -15.210) 18.063 12.932 ( -0.000 -28.897 12.134) 31.341 15.478 ( 0.000 3.563 -8.080) 8.831 ======================= Grid point 711 (271/489) ======================= q-point: ( 0.47 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( 0.768 5.993 3.293) 6.881 3.107 ( 9.226 13.680 2.695) 16.719 3.505 ( 7.738 5.339 -3.290) 9.961 4.477 ( 1.115 7.107 -8.141) 10.864 5.391 ( -0.591 14.628 1.728) 14.742 5.857 ( -0.275 13.549 3.840) 14.085 9.066 ( 6.595 14.475 0.226) 15.908 9.189 ( -1.061 5.869 -4.219) 7.305 10.837 ( -0.076 -5.923 -4.872) 7.670 10.896 ( 2.582 -3.975 -4.604) 6.608 12.658 ( -1.968 -28.771 9.630) 30.404 15.440 ( -5.640 3.167 -6.763) 9.358 ======================= Grid point 712 (272/489) ======================= q-point: ( 0.53 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( 2.367 4.205 1.927) 5.197 3.452 ( 14.281 11.075 2.785) 18.286 3.748 ( 13.548 7.826 -3.418) 16.015 4.527 ( 1.610 2.797 -5.572) 6.439 5.477 ( -2.072 7.057 1.188) 7.450 6.004 ( -1.678 14.677 3.099) 15.094 9.137 ( -3.212 7.395 -3.210) 8.678 9.470 ( 14.384 15.284 -0.539) 20.995 10.726 ( -1.087 -8.908 -6.215) 10.916 10.964 ( 5.974 2.360 -0.086) 6.423 12.359 ( -3.114 -26.644 7.316) 27.805 15.305 ( -10.333 1.903 -5.442) 11.833 ======================= Grid point 713 (273/489) ======================= q-point: ( 0.59 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( 3.325 2.679 0.931) 4.370 3.819 ( 15.204 8.524 2.543) 17.615 4.095 ( 15.133 12.337 -3.464) 19.830 4.561 ( 2.417 0.192 -3.251) 4.056 5.483 ( -2.764 1.940 2.136) 3.996 6.082 ( -4.839 9.930 1.284) 11.121 9.185 ( 0.168 9.851 -2.036) 10.061 9.857 ( 12.467 12.105 0.671) 17.390 10.590 ( -3.691 -6.217 -5.138) 8.870 11.143 ( 11.043 4.074 -0.717) 11.793 12.082 ( -2.966 -21.017 5.745) 21.989 15.097 ( -12.317 -0.345 -3.954) 12.941 ======================= Grid point 714 (274/489) ======================= q-point: ( 0.65 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( 3.242 1.527 -0.035) 3.584 4.160 ( 13.498 8.091 1.154) 15.780 4.437 ( 6.760 13.005 0.073) 14.657 4.629 ( 7.828 2.489 -4.807) 9.518 5.441 ( -1.961 -3.355 3.497) 5.228 6.036 ( -8.032 2.948 0.107) 8.557 9.328 ( 4.360 10.905 -0.476) 11.754 10.106 ( 6.412 3.999 1.319) 7.671 10.438 ( -6.508 -3.663 -3.962) 8.454 11.406 ( 11.466 7.421 -2.226) 13.838 11.899 ( -0.228 -11.715 4.742) 12.641 14.865 ( -10.384 -3.312 -2.275) 11.134 ======================= Grid point 715 (275/489) ======================= q-point: ( 0.71 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( 2.345 1.021 -0.801) 2.680 4.423 ( 5.365 8.194 -1.987) 9.993 4.592 ( 5.366 4.677 5.803) 9.184 4.829 ( 3.332 12.079 -7.414) 14.560 5.396 ( 1.475 -4.945 3.362) 6.159 5.877 ( -7.904 -5.784 0.614) 9.813 9.525 ( 5.597 9.009 0.036) 10.606 10.191 ( -0.218 0.526 1.314) 1.433 10.278 ( -2.841 -5.698 -2.538) 6.854 11.593 ( -0.223 8.958 0.039) 8.961 11.890 ( 5.050 -1.876 0.719) 5.435 14.684 ( -4.006 -5.469 -0.702) 6.816 ======================= Grid point 716 (276/489) ======================= q-point: (-0.24 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.130 ( 0.751 1.271 -0.970) 1.767 4.502 ( -1.151 4.654 -1.285) 4.963 4.748 ( -4.297 9.660 -1.160) 10.636 4.895 ( 5.381 -0.619 2.028) 5.784 5.376 ( -9.779 6.583 -2.918) 12.144 5.730 ( 5.820 -14.178 3.662) 15.757 9.633 ( -1.936 2.651 -0.265) 3.293 10.114 ( -4.436 1.723 0.990) 4.861 10.309 ( 9.422 -4.095 -1.506) 10.383 11.624 ( -3.846 5.472 2.508) 7.143 11.927 ( -3.280 2.629 -2.259) 4.772 14.636 ( 4.556 -4.481 -0.074) 6.391 ======================= Grid point 717 (277/489) ======================= q-point: (-0.18 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( -1.550 2.111 -0.385) 2.647 4.453 ( -10.763 2.602 -0.587) 11.089 4.630 ( -5.570 -3.400 -4.283) 7.805 5.064 ( 8.316 -2.637 4.655) 9.888 5.159 ( -16.176 7.842 -1.750) 18.061 5.799 ( 8.306 -5.211 1.859) 9.981 9.521 ( -10.474 0.410 0.091) 10.483 10.091 ( -1.681 -0.328 1.602) 2.345 10.489 ( 13.812 0.551 -3.752) 14.323 11.577 ( -2.435 -7.713 0.594) 8.110 11.832 ( -10.580 8.247 0.944) 13.448 14.738 ( 9.711 -0.920 -0.895) 9.795 ======================= Grid point 718 (278/489) ======================= q-point: (-0.12 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( -4.497 3.202 0.635) 5.557 4.188 ( -17.307 -2.837 0.479) 17.544 4.432 ( -10.613 -9.822 -4.560) 15.162 4.966 ( -2.391 0.212 -4.889) 5.446 5.246 ( 2.378 6.848 7.076) 10.130 5.857 ( 0.235 0.047 1.067) 1.094 9.333 ( -12.262 2.805 -0.260) 12.581 10.005 ( -8.599 -1.528 1.652) 8.889 10.750 ( 16.734 0.785 -7.312) 18.279 11.371 ( -5.548 -15.232 -0.856) 16.233 11.818 ( -1.404 7.280 5.880) 9.463 14.917 ( 9.855 2.160 -2.461) 10.385 ======================= Grid point 728 (279/489) ======================= q-point: ( 0.47 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( -0.000 3.849 2.126) 4.397 3.155 ( -0.000 11.150 2.284) 11.382 3.470 ( 0.000 4.423 -3.086) 5.393 4.502 ( 0.000 4.145 -6.402) 7.627 5.521 ( -0.000 9.094 0.829) 9.132 6.033 ( -0.000 17.189 3.586) 17.559 9.135 ( 0.000 12.758 -0.699) 12.777 9.241 ( 0.000 5.906 -6.756) 8.974 10.739 ( 0.000 -8.500 -4.006) 9.396 10.866 ( -0.000 1.586 0.744) 1.752 12.412 ( -0.000 -28.533 6.823) 29.338 15.507 ( 0.000 3.557 -5.525) 6.571 ======================= Grid point 729 (280/489) ======================= q-point: ( 0.53 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( 1.033 2.530 1.842) 3.296 3.344 ( 9.211 8.299 2.166) 12.586 3.589 ( 9.481 4.972 -2.804) 11.067 4.520 ( 0.527 2.041 -3.916) 4.448 5.580 ( -1.849 5.574 0.539) 5.897 6.197 ( -1.576 15.274 2.061) 15.493 9.247 ( -1.896 7.832 -5.193) 9.586 9.363 ( 10.674 10.308 -2.391) 15.030 10.656 ( -0.593 -5.831 -0.334) 5.871 10.911 ( 2.475 2.196 0.639) 3.370 12.143 ( -0.722 -26.201 4.422) 26.581 15.468 ( -6.548 3.053 -4.509) 8.516 ======================= Grid point 730 (281/489) ======================= q-point: ( 0.59 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.931 ( 2.306 1.748 1.984) 3.509 3.630 ( 14.381 5.322 2.028) 15.467 3.878 ( 17.543 6.712 -2.606) 18.963 4.538 ( 0.685 1.006 -1.432) 1.880 5.573 ( -3.885 2.513 0.723) 4.683 6.279 ( -4.734 10.566 0.186) 11.580 9.282 ( -1.261 9.164 -3.746) 9.980 9.702 ( 16.105 8.002 -1.072) 18.016 10.598 ( -1.934 -1.090 -0.036) 2.220 10.991 ( 6.107 -1.392 0.372) 6.274 11.914 ( 0.253 -19.595 3.242) 19.863 15.316 ( -12.092 1.904 -3.561) 12.748 ======================= Grid point 731 (282/489) ======================= q-point: ( 0.65 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( 2.813 1.125 1.813) 3.531 3.952 ( 16.531 3.713 1.572) 17.016 4.289 ( 21.163 8.218 -2.589) 22.850 4.556 ( 0.709 0.507 0.541) 1.026 5.499 ( -5.776 -1.085 1.281) 6.015 6.237 ( -9.009 5.205 -1.357) 10.493 9.374 ( 1.849 9.475 -1.033) 9.709 9.988 ( 9.908 1.125 -0.265) 9.976 10.553 ( -6.150 4.121 -1.097) 7.484 11.140 ( 16.646 -4.541 -1.050) 17.286 11.799 ( 1.754 -9.184 3.603) 10.020 15.078 ( -15.001 0.490 -2.445) 15.206 ======================= Grid point 732 (283/489) ======================= q-point: ( 0.71 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( 2.698 0.802 1.224) 3.070 4.276 ( 15.908 2.795 0.609) 16.163 4.575 ( 0.846 0.888 3.389) 3.604 4.733 ( 19.513 9.056 -4.645) 22.008 5.363 ( -6.057 -5.720 2.525) 8.706 6.065 ( -13.316 0.632 -2.165) 13.505 9.515 ( 4.509 6.473 0.424) 7.900 10.086 ( 4.696 -3.114 -0.320) 5.643 10.430 ( -10.651 2.229 -0.436) 10.891 11.463 ( 20.077 1.179 -3.753) 20.459 11.792 ( 2.642 -3.364 4.744) 6.388 14.816 ( -13.586 -0.278 -1.088) 13.632 ======================= Grid point 733 (284/489) ======================= q-point: (-0.24 -0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.114 ( 2.230 1.024 0.580) 2.521 4.500 ( 4.959 1.385 -1.372) 5.328 4.665 ( 10.317 -2.148 5.785) 12.021 5.000 ( -4.915 8.972 -6.885) 12.331 5.303 ( 13.213 -7.729 4.605) 15.985 5.789 ( -16.722 -0.915 -2.284) 16.902 9.629 ( 3.933 -0.237 0.202) 3.946 10.140 ( 4.402 -2.022 -1.605) 5.102 10.274 ( -8.703 4.051 1.921) 9.790 11.671 ( 1.261 -0.191 -2.263) 2.598 11.883 ( 9.341 -1.144 2.096) 9.641 14.634 ( -6.427 1.149 0.054) 6.529 ======================= Grid point 734 (285/489) ======================= q-point: (-0.18 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( 1.243 1.824 0.239) 2.220 4.522 ( -0.755 -1.370 -0.352) 1.603 4.713 ( -4.972 -12.987 0.316) 13.910 4.953 ( 1.880 6.680 0.435) 6.953 5.435 ( -5.444 -10.775 0.410) 12.079 5.615 ( 5.054 11.140 -0.928) 12.268 9.640 ( -1.152 -1.875 0.038) 2.200 10.102 ( -2.535 -2.827 0.013) 3.797 10.336 ( 5.644 6.976 0.097) 8.974 11.562 ( -6.037 -10.114 -0.369) 11.784 11.981 ( 0.336 1.123 0.324) 1.216 14.637 ( 3.117 4.766 0.012) 5.695 ======================= Grid point 735 (286/489) ======================= q-point: (-0.12 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.192 ( -0.630 2.992 0.287) 3.071 4.394 ( -12.143 -9.157 1.611) 15.294 4.448 ( -6.020 -10.811 -3.577) 12.881 4.971 ( -2.296 -4.899 -1.167) 5.534 5.333 ( -0.531 6.401 2.906) 7.050 5.825 ( 5.956 6.362 -0.104) 8.716 9.566 ( -8.155 4.005 0.007) 9.085 10.049 ( -0.295 -4.453 0.705) 4.519 10.526 ( 9.089 5.082 -2.566) 10.724 11.291 ( -7.116 -18.049 -0.038) 19.401 11.943 ( -4.557 -0.033 1.653) 4.847 14.804 ( 7.729 7.689 -1.009) 10.949 ======================= Grid point 746 (287/489) ======================= q-point: ( 0.53 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.890 ( -0.000 1.409 2.468) 2.842 3.338 ( -0.000 5.774 1.833) 6.057 3.538 ( 0.000 4.027 -2.228) 4.602 4.524 ( 0.000 1.412 -1.791) 2.281 5.647 ( -0.000 3.963 -0.008) 3.963 6.357 ( -0.000 12.344 0.557) 12.356 9.331 ( 0.000 7.253 -0.507) 7.270 9.335 ( 0.000 7.860 -6.713) 10.337 10.621 ( -0.000 -3.319 3.104) 4.544 10.922 ( -0.000 3.018 0.448) 3.051 11.902 ( -0.000 -23.874 1.760) 23.939 15.545 ( 0.000 3.019 -3.711) 4.784 ======================= Grid point 747 (288/489) ======================= q-point: ( 0.59 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( 1.211 0.988 3.447) 3.784 3.469 ( 8.890 3.144 1.643) 9.572 3.666 ( 10.852 3.886 -1.751) 11.659 4.539 ( 0.377 1.392 0.376) 1.490 5.655 ( -2.499 2.026 -0.291) 3.230 6.437 ( -2.616 7.761 -1.136) 8.268 9.385 ( -1.217 8.850 -2.729) 9.341 9.503 ( 11.894 4.698 -0.799) 12.813 10.611 ( 0.465 -0.701 2.977) 3.094 10.939 ( -0.942 -0.347 -0.204) 1.024 11.711 ( 2.247 -16.783 0.524) 16.940 15.499 ( -7.109 2.334 -3.078) 8.090 ======================= Grid point 748 (289/489) ======================= q-point: ( 0.65 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( 2.083 0.554 3.736) 4.314 3.704 ( 14.584 1.177 1.552) 14.713 3.968 ( 19.623 3.302 -1.635) 19.966 4.566 ( 0.328 1.781 2.336) 2.956 5.596 ( -5.255 -0.203 -0.400) 5.274 6.409 ( -6.165 2.944 -2.622) 7.318 9.450 ( -0.670 7.811 0.760) 7.876 9.785 ( 14.509 1.677 -0.417) 14.611 10.673 ( 2.638 6.901 0.886) 7.440 10.866 ( 0.832 -9.974 -1.061) 10.065 11.666 ( 5.043 -6.341 1.166) 8.185 15.333 ( -12.939 1.613 -2.328) 13.246 ======================= Grid point 749 (290/489) ======================= q-point: (-0.29 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.025 ( 2.496 0.002 3.067) 3.955 3.993 ( 17.211 -0.588 1.450) 17.282 4.372 ( 23.437 1.402 -2.253) 23.587 4.601 ( 0.405 2.526 4.314) 5.015 5.466 ( -8.063 -2.281 -0.601) 8.401 6.267 ( -10.081 -0.782 -3.470) 10.690 9.511 ( 0.999 1.929 2.116) 3.033 9.977 ( 6.946 0.321 -0.501) 6.972 10.638 ( -9.949 1.502 -0.064) 10.062 11.043 ( 23.731 0.131 -1.733) 23.794 11.718 ( 4.024 -2.489 2.176) 5.207 15.087 ( -15.767 1.650 -1.210) 15.900 ======================= Grid point 750 (291/489) ======================= q-point: (-0.24 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( 2.853 -0.248 1.889) 3.430 4.276 ( 16.334 -3.482 1.088) 16.737 4.594 ( 1.679 -1.001 2.992) 3.574 4.826 ( 21.680 1.078 0.053) 21.707 5.275 ( -10.221 -2.693 -1.058) 10.623 6.037 ( -12.905 -1.588 -3.435) 13.448 9.527 ( 3.000 -6.131 0.831) 6.876 10.072 ( 3.664 1.590 -1.075) 4.136 10.493 ( -9.397 4.347 2.647) 10.687 11.482 ( 21.844 4.215 -4.278) 22.655 11.734 ( 1.274 -6.031 3.410) 7.045 14.846 ( -13.577 3.511 0.206) 14.025 ======================= Grid point 751 (292/489) ======================= q-point: (-0.18 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( 3.158 0.076 0.693) 3.234 4.451 ( 8.602 -7.849 -0.169) 11.646 4.587 ( -0.260 -6.494 4.668) 8.002 5.077 ( -4.750 -5.977 2.694) 8.096 5.171 ( 13.479 2.104 -5.072) 14.554 5.818 ( -9.943 3.795 -2.150) 10.857 9.522 ( 5.703 -8.783 -0.107) 10.473 10.109 ( 0.347 -1.495 -2.150) 2.641 10.447 ( -5.517 10.863 4.821) 13.103 11.583 ( -6.906 -7.670 -0.589) 10.338 11.843 ( 13.561 -2.258 -1.276) 13.807 14.728 ( -5.647 7.327 1.190) 9.326 ======================= Grid point 764 (293/489) ======================= q-point: ( 0.59 0.59 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( -0.000 0.540 5.024) 5.052 3.415 ( -0.000 1.118 1.283) 1.702 3.596 ( 0.000 2.497 -1.009) 2.693 4.557 ( -0.000 2.076 2.361) 3.144 5.690 ( 0.000 0.704 -0.919) 1.158 6.510 ( 0.000 3.302 -2.646) 4.231 9.429 ( -0.000 2.735 0.444) 2.770 9.483 ( -0.000 8.720 0.985) 8.775 10.590 ( -0.000 -3.201 1.618) 3.587 10.967 ( 0.000 1.026 -0.528) 1.154 11.541 ( 0.000 -10.132 -1.017) 10.183 15.575 ( 0.000 1.823 -2.772) 3.317 ======================= Grid point 765 (294/489) ======================= q-point: (-0.35 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( 0.964 -0.109 5.551) 5.636 3.501 ( 8.950 -0.781 1.221) 9.067 3.711 ( 11.154 1.215 -0.677) 11.240 4.595 ( 0.184 2.990 4.334) 5.268 5.660 ( -2.880 -1.015 -1.385) 3.353 6.484 ( -2.801 -1.450 -4.046) 5.130 9.529 ( 3.842 0.840 1.622) 4.254 9.585 ( 5.760 6.519 4.202) 9.661 10.580 ( 3.784 -4.148 -0.983) 5.700 10.917 ( -5.332 0.199 -0.994) 5.427 11.534 ( 4.883 -0.602 -0.683) 4.967 15.518 ( -7.117 1.243 -2.402) 7.613 ======================= Grid point 766 (295/489) ======================= q-point: (-0.29 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.994 ( 1.681 -1.260 4.568) 5.028 3.699 ( 14.710 -2.686 1.418) 15.020 3.985 ( 19.530 -0.795 -0.821) 19.564 4.647 ( -0.145 3.752 6.104) 7.166 5.561 ( -5.755 -2.554 -2.030) 6.616 6.361 ( -5.654 -5.282 -4.905) 9.161 9.530 ( -2.096 -3.372 3.664) 5.403 9.821 ( 12.081 1.558 1.735) 12.304 10.641 ( 6.970 -5.082 -0.680) 8.653 10.871 ( -0.236 8.470 -0.641) 8.498 11.638 ( 4.573 2.491 -0.157) 5.209 15.350 ( -12.456 1.363 -1.622) 12.635 ======================= Grid point 767 (296/489) ======================= q-point: (-0.24 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.024 ( 2.604 -2.288 2.814) 4.465 3.942 ( 16.660 -5.598 1.395) 17.630 4.327 ( 21.352 -4.704 -0.881) 21.881 4.706 ( 0.399 4.132 7.431) 8.512 5.405 ( -7.828 -2.530 -3.166) 8.815 6.163 ( -7.760 -6.825 -4.821) 11.404 9.436 ( -1.316 -9.427 1.387) 9.619 9.986 ( 6.976 -2.630 -0.482) 7.471 10.665 ( -2.858 4.931 4.669) 7.368 11.140 ( 18.813 7.042 -1.857) 20.173 11.704 ( 0.149 1.270 -0.327) 1.320 15.129 ( -14.182 2.945 -0.256) 14.487 ======================= Grid point 768 (297/489) ======================= q-point: (-0.18 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( 3.844 -2.669 0.990) 4.784 4.141 ( 14.118 -10.585 0.851) 17.666 4.521 ( 6.873 -9.642 2.588) 12.121 4.840 ( 9.611 1.100 5.764) 11.261 5.249 ( -6.474 1.479 -5.360) 8.534 5.955 ( -6.868 -4.612 -3.569) 9.010 9.339 ( 2.757 -11.101 0.026) 11.439 10.026 ( 4.235 -6.703 -2.177) 8.222 10.701 ( -6.142 13.284 7.923) 16.643 11.505 ( 16.106 -6.638 1.230) 17.464 11.668 ( -3.287 5.726 -4.975) 8.267 14.951 ( -10.662 6.215 1.410) 12.422 ======================= Grid point 782 (298/489) ======================= q-point: (-0.35 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.968 ( -0.000 -1.099 6.434) 6.527 3.403 ( -0.000 -2.937 0.656) 3.010 3.619 ( -0.000 0.052 0.093) 0.106 4.648 ( -0.000 4.309 6.625) 7.903 5.662 ( 0.000 -2.578 -2.147) 3.355 6.453 ( 0.000 -6.383 -5.422) 8.375 9.447 ( -0.000 -1.614 1.236) 2.033 9.655 ( -0.000 2.340 8.714) 9.023 10.515 ( 0.000 -0.280 -1.828) 1.849 10.949 ( 0.000 -2.089 -1.313) 2.467 11.525 ( 0.000 8.177 -1.837) 8.381 15.582 ( 0.000 0.634 -2.500) 2.579 ======================= Grid point 783 (299/489) ======================= q-point: (-0.29 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( 0.414 -2.904 5.393) 6.139 3.450 ( 9.381 -5.057 0.724) 10.682 3.707 ( 10.435 -1.402 0.220) 10.531 4.719 ( -0.257 5.164 8.800) 10.206 5.595 ( -2.843 -4.124 -3.051) 5.865 6.329 ( -2.082 -10.619 -6.375) 12.560 9.478 ( 3.904 -6.053 1.049) 7.279 9.671 ( 3.228 -5.175 6.103) 8.629 10.575 ( 2.032 8.254 2.115) 8.760 10.922 ( 0.343 0.031 -0.663) 0.747 11.645 ( 1.795 11.515 -2.691) 11.961 15.521 ( -6.536 0.619 -2.227) 6.933 ======================= Grid point 784 (300/489) ======================= q-point: (-0.24 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( 1.563 -4.812 3.209) 5.992 3.605 ( 14.578 -7.695 0.941) 16.511 3.931 ( 17.488 -4.150 -0.039) 17.973 4.791 ( -1.021 4.982 10.446) 11.619 5.469 ( -4.921 -4.407 -4.252) 7.856 6.140 ( -3.235 -12.966 -6.475) 14.849 9.382 ( -3.279 -11.070 0.455) 11.555 9.752 ( 11.163 -10.273 0.695) 15.186 10.746 ( 3.408 12.405 6.656) 14.485 11.000 ( 5.920 4.741 1.542) 7.740 11.764 ( -0.696 11.227 -3.879) 11.898 15.371 ( -10.775 1.794 -1.227) 10.993 ======================= Grid point 785 (301/489) ======================= q-point: (-0.18 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( 3.453 -5.922 1.094) 6.942 3.776 ( 15.069 -11.737 0.524) 19.107 4.180 ( 16.964 -9.407 0.412) 19.402 4.852 ( -0.484 3.983 10.747) 11.472 5.330 ( -5.020 -1.792 -5.454) 7.626 5.936 ( -2.584 -12.419 -5.532) 13.839 9.216 ( -1.529 -11.426 -0.489) 11.539 9.802 ( 8.711 -13.766 -1.755) 16.385 10.949 ( -0.477 15.598 10.793) 18.974 11.201 ( 11.776 -0.388 2.015) 11.954 11.813 ( -4.651 11.866 -6.744) 14.420 15.203 ( -11.140 4.320 0.587) 11.963 ======================= Grid point 800 (302/489) ======================= q-point: (-0.29 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( -0.000 -5.076 5.048) 7.159 3.299 ( 0.000 -7.730 -0.141) 7.731 3.603 ( -0.000 -1.856 0.854) 2.043 4.810 ( -0.000 5.540 11.575) 12.833 5.558 ( 0.000 -5.711 -4.164) 7.068 6.191 ( 0.000 -15.347 -7.558) 17.108 9.368 ( -0.000 -7.368 1.091) 7.448 9.578 ( -0.000 -12.348 2.591) 12.617 10.724 ( -0.000 18.352 9.641) 20.730 10.885 ( 0.000 -2.931 -1.169) 3.155 11.767 ( 0.000 16.493 -4.970) 17.226 15.574 ( 0.000 0.379 -2.607) 2.634 ======================= Grid point 801 (303/489) ======================= q-point: (-0.24 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( 0.113 -7.683 2.989) 8.244 3.299 ( 9.738 -10.417 -0.049) 14.260 3.663 ( 8.969 -3.229 0.720) 9.560 4.892 ( -0.794 3.640 13.630) 14.130 5.462 ( -2.106 -5.909 -5.217) 8.159 5.989 ( -0.580 -18.077 -8.122) 19.826 9.300 ( 0.329 -11.509 -0.687) 11.534 9.477 ( 5.050 -13.529 0.192) 14.442 10.839 ( -0.163 3.985 1.800) 4.376 11.023 ( 3.937 16.828 12.962) 21.603 11.912 ( -1.214 17.097 -7.152) 18.572 15.522 ( -5.471 1.153 -2.280) 6.039 ======================= Grid point 802 (304/489) ======================= q-point: (-0.18 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( 2.248 -9.488 0.838) 9.786 3.392 ( 14.036 -13.954 -0.200) 19.793 3.826 ( 13.923 -6.269 0.412) 15.275 4.930 ( -1.303 -1.201 13.258) 13.376 5.356 ( -2.468 -3.107 -4.460) 5.969 5.776 ( 0.185 -17.472 -8.084) 19.253 9.143 ( -2.821 -11.180 -2.013) 11.705 9.472 ( 9.822 -16.262 -0.895) 19.020 10.934 ( 7.412 1.296 1.135) 7.610 11.291 ( -0.942 19.383 17.487) 26.122 12.009 ( -4.056 16.750 -10.131) 19.991 15.412 ( -8.413 3.078 -0.855) 8.999 ======================= Grid point 818 (305/489) ======================= q-point: (-0.24 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( -0.000 -10.924 1.930) 11.093 3.088 ( 0.000 -12.966 -0.876) 12.996 3.557 ( -0.000 -3.311 0.946) 3.443 4.958 ( -0.000 -2.168 15.002) 15.158 5.397 ( 0.000 -7.459 -4.747) 8.841 5.774 ( 0.000 -18.153 -9.528) 20.502 9.156 ( -0.000 -14.021 0.205) 14.022 9.309 ( 0.000 -12.111 -2.952) 12.465 10.842 ( 0.000 -0.403 -0.256) 0.477 11.272 ( -0.000 24.356 20.843) 32.057 12.080 ( 0.000 18.795 -10.108) 21.341 15.573 ( 0.000 1.389 -2.852) 3.173 ======================= Grid point 819 (306/489) ======================= q-point: (-0.18 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( 0.770 -13.462 0.019) 13.484 3.029 ( 9.280 -16.117 -1.028) 18.626 3.588 ( 7.268 -4.594 0.617) 8.621 4.930 ( -0.589 -10.504 11.587) 15.650 5.277 ( 1.315 -16.978 -1.537) 17.098 5.612 ( -0.821 -5.277 -8.910) 10.387 9.028 ( 1.853 -14.979 -1.552) 15.172 9.205 ( 2.427 -10.865 -2.464) 11.403 10.865 ( 2.344 1.305 0.453) 2.721 11.584 ( -0.509 22.183 23.912) 32.621 12.213 ( -2.553 19.373 -13.459) 23.727 15.545 ( -4.093 2.635 -2.318) 5.391 ======================= Grid point 836 (307/489) ======================= q-point: (-0.18 -0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( 0.000 -17.396 -1.430) 17.454 2.768 ( 0.000 -18.167 -1.514) 18.230 3.483 ( -0.000 -4.452 0.488) 4.479 4.821 ( -0.000 -17.260 7.863) 18.967 4.990 ( 0.000 -31.844 -2.881) 31.974 5.630 ( 0.000 7.456 -3.555) 8.260 8.824 ( 0.000 -18.365 -0.336) 18.368 9.113 ( 0.000 -4.149 -4.211) 5.912 10.871 ( -0.000 3.116 0.429) 3.146 11.881 ( -0.000 18.210 26.789) 32.392 12.398 ( 0.000 22.557 -15.483) 27.360 15.597 ( 0.000 2.938 -3.012) 4.208 ======================= Grid point 927 (308/489) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -0.000 0.000 22.056) 22.056 0.685 ( -0.000 0.000 22.056) 22.056 1.393 ( -0.000 0.000 46.023) 46.023 3.074 ( 0.000 -0.000 -2.737) 2.737 3.074 ( 0.000 -0.000 -2.737) 2.737 6.922 ( 0.000 -0.000 -12.212) 12.212 7.629 ( -0.000 0.000 0.935) 0.935 7.629 ( -0.000 0.000 0.935) 0.935 11.315 ( 0.000 -0.000 -0.719) 0.719 11.315 ( 0.000 -0.000 -0.719) 0.719 14.703 ( -0.000 0.000 2.338) 2.338 14.990 ( 0.000 -0.000 -0.998) 0.998 ======================= Grid point 928 (309/489) ======================= q-point: ( 0.24 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 15.878 9.167 16.091) 24.394 1.173 ( 20.408 11.782 20.937) 31.523 1.739 ( 21.269 12.280 31.753) 40.143 3.077 ( 1.471 0.849 -3.073) 3.511 3.216 ( 12.057 6.961 -1.985) 14.063 6.270 ( -16.971 -9.798 0.723) 19.610 7.697 ( 5.070 2.927 1.132) 5.962 9.121 ( 64.024 36.964 -37.299) 82.805 11.058 ( -15.684 -9.055 -4.928) 18.769 11.280 ( -2.716 -1.568 -0.776) 3.231 14.605 ( -8.685 -5.014 4.858) 11.143 15.186 ( 12.109 6.991 -9.513) 16.912 ======================= Grid point 929 (310/489) ======================= q-point: ( 0.29 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 21.005 12.127 10.023) 26.244 1.582 ( 10.964 6.330 24.983) 28.008 2.531 ( 37.167 21.459 10.054) 44.079 3.120 ( 3.045 1.758 -3.267) 4.800 3.588 ( 19.403 11.203 0.801) 22.420 6.017 ( -7.164 -4.136 -4.492) 9.414 7.869 ( 9.366 5.407 1.156) 10.876 9.754 ( -3.392 -1.959 -2.976) 4.919 10.950 ( 15.876 9.166 -31.309) 36.281 11.191 ( -4.565 -2.636 -0.784) 5.329 14.368 ( -13.347 -7.706 10.439) 18.614 15.334 ( 3.356 1.938 -13.434) 13.982 ======================= Grid point 930 (311/489) ======================= q-point: ( 0.35 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 12.085 6.977 17.716) 22.552 1.934 ( 21.020 12.136 6.631) 25.161 3.194 ( 4.096 2.365 -3.330) 5.784 3.412 ( 36.194 20.897 0.614) 41.798 4.081 ( 21.688 12.521 4.232) 25.398 5.859 ( -5.294 -3.056 -5.695) 8.355 8.133 ( 12.951 7.477 0.999) 14.988 9.412 ( -18.654 -10.770 3.927) 21.895 11.074 ( -5.063 -2.923 -0.702) 5.888 11.290 ( 16.146 9.322 -29.418) 34.829 14.064 ( -16.537 -9.548 15.593) 24.653 15.283 ( -2.882 -1.664 -14.407) 14.787 ======================= Grid point 931 (312/489) ======================= q-point: ( 0.41 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 14.078 8.128 9.923) 19.045 2.417 ( 18.857 10.887 4.602) 22.256 3.284 ( 4.489 2.592 -3.285) 6.136 4.169 ( 28.968 16.725 -6.469) 34.070 4.587 ( 19.886 11.481 6.847) 23.962 5.741 ( -3.265 -1.885 -3.103) 4.883 8.464 ( 15.014 8.668 0.668) 17.349 9.057 ( -11.597 -6.695 1.604) 13.487 10.963 ( -4.071 -2.350 -0.475) 4.725 11.437 ( 3.799 2.194 -22.853) 23.270 13.680 ( -21.600 -12.471 16.241) 29.764 15.170 ( -2.021 -1.167 -11.799) 12.027 ======================= Grid point 932 (313/489) ======================= q-point: ( 0.47 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 14.155 8.173 3.835) 16.789 2.829 ( 15.531 8.967 3.301) 18.235 3.376 ( 4.197 2.423 -3.146) 5.777 4.662 ( 15.172 8.760 -12.670) 21.621 5.027 ( 15.911 9.186 6.682) 19.550 5.728 ( 3.124 1.804 3.509) 5.032 8.815 ( 14.699 8.486 0.148) 16.973 8.910 ( -1.047 -0.605 -0.408) 1.277 10.891 ( -1.956 -1.129 -0.040) 2.259 11.352 ( -4.597 -2.654 -18.135) 18.896 13.149 ( -27.810 -16.056 11.526) 34.118 15.147 ( 2.462 1.422 -5.463) 6.159 ======================= Grid point 933 (314/489) ======================= q-point: ( 0.53 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( 11.829 6.830 -0.978) 13.694 3.154 ( 11.649 6.726 2.397) 13.663 3.454 ( 3.270 1.888 -2.880) 4.749 4.802 ( 2.200 1.270 -13.322) 13.562 5.355 ( 10.861 6.271 4.030) 13.173 5.909 ( 9.471 5.468 8.149) 13.639 9.001 ( 8.928 5.155 -2.139) 10.529 9.126 ( 11.883 6.861 -0.521) 13.731 10.874 ( 0.286 0.165 0.587) 0.673 11.150 ( -7.747 -4.473 -13.538) 16.226 12.495 ( -30.096 -17.376 6.781) 35.407 15.229 ( 4.789 2.765 -0.240) 5.536 ======================= Grid point 934 (315/489) ======================= q-point: ( 0.59 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.141 ( 7.566 4.368 -5.050) 10.091 3.382 ( 7.405 4.275 1.453) 8.673 3.506 ( 1.993 1.151 -2.215) 3.194 4.768 ( -0.506 -0.292 -9.689) 9.707 5.559 ( 6.006 3.468 1.631) 7.125 6.144 ( 7.361 4.250 8.747) 12.197 9.289 ( 16.215 9.362 -4.320) 19.215 9.351 ( 7.605 4.391 -1.123) 8.853 10.898 ( 1.218 0.703 1.190) 1.842 10.919 ( -9.572 -5.526 -7.916) 13.595 11.859 ( -24.529 -14.162 4.128) 28.623 15.342 ( 4.244 2.450 2.378) 5.447 ======================= Grid point 935 (316/489) ======================= q-point: ( 0.65 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.234 ( 2.229 1.287 -7.858) 8.269 3.481 ( 0.531 0.307 -1.451) 1.576 3.555 ( 2.953 1.705 0.660) 3.473 4.760 ( 2.523 1.457 -6.368) 7.003 5.645 ( 1.212 0.700 -0.040) 1.401 6.274 ( 1.173 0.677 8.628) 8.733 9.471 ( 3.080 1.778 -1.361) 3.808 9.687 ( 18.331 10.583 -7.740) 22.537 10.629 ( -13.845 -7.994 -0.235) 15.989 10.921 ( 0.180 0.104 1.454) 1.469 11.475 ( -8.235 -4.755 1.919) 9.701 15.429 ( 2.320 1.339 3.531) 4.432 ======================= Grid point 936 (317/489) ======================= q-point: (-0.29 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( -2.832 -1.635 -8.229) 8.855 3.436 ( -3.634 -2.098 -1.455) 4.441 3.609 ( 1.041 0.601 0.824) 1.457 4.852 ( 6.838 3.948 -5.687) 9.731 5.616 ( -3.622 -2.091 -0.163) 4.186 6.243 ( -6.302 -3.638 8.356) 11.080 9.484 ( -1.605 -0.927 -1.116) 2.163 9.881 ( -6.011 -3.471 -4.824) 8.453 10.507 ( 10.718 6.188 -1.947) 12.528 10.909 ( -1.588 -0.917 1.233) 2.210 11.463 ( 5.217 3.012 1.983) 6.342 15.474 ( 0.649 0.375 4.326) 4.391 ======================= Grid point 937 (318/489) ======================= q-point: (-0.24 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( -7.069 -4.081 -6.247) 10.279 3.304 ( -7.476 -4.316 -0.637) 8.656 3.608 ( -1.156 -0.667 0.334) 1.376 5.021 ( 8.934 5.158 -8.974) 13.673 5.485 ( -7.538 -4.352 2.389) 9.026 6.035 ( -13.818 -7.978 8.232) 17.954 9.384 ( -6.966 -4.022 -0.522) 8.061 9.575 ( -15.177 -8.762 2.558) 17.711 10.867 ( -1.928 -1.113 0.626) 2.313 10.943 ( 24.182 13.961 -11.859) 30.336 11.675 ( 11.312 6.531 4.091) 13.688 15.498 ( 0.393 0.227 5.060) 5.080 ======================= Grid point 938 (319/489) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( -11.087 -6.401 -2.829) 13.111 3.083 ( -11.620 -6.709 0.334) 13.422 3.562 ( -2.779 -1.604 -0.112) 3.211 5.098 ( -3.440 -1.986 -14.157) 14.704 5.353 ( -3.216 -1.857 4.243) 5.639 5.680 ( -16.836 -9.720 10.099) 21.907 9.157 ( -12.403 -7.161 0.064) 14.322 9.274 ( -11.060 -6.385 4.341) 13.488 10.841 ( -0.052 -0.030 -0.031) 0.068 11.470 ( 24.581 14.192 -20.238) 34.860 11.985 ( 13.550 7.823 9.434) 18.271 15.535 ( 1.525 0.880 5.013) 5.313 ======================= Grid point 945 (320/489) ======================= q-point: ( 0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -0.000 19.375 15.681) 24.926 1.205 ( -0.000 29.117 17.192) 33.814 1.827 ( -0.000 17.707 34.582) 38.852 3.085 ( 0.000 2.525 -3.058) 3.965 3.183 ( 0.000 12.441 -2.426) 12.675 6.268 ( 0.000 -20.480 -0.657) 20.490 7.680 ( -0.000 5.037 0.938) 5.124 8.996 ( 0.000 69.841 -31.189) 76.489 11.102 ( 0.000 -12.349 -6.111) 13.778 11.279 ( 0.000 -3.114 -0.779) 3.210 14.607 ( -0.000 -11.394 4.982) 12.436 15.149 ( 0.000 12.307 -8.077) 14.721 ======================= Grid point 946 (321/489) ======================= q-point: ( 0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 8.007 22.537 11.519) 26.546 1.611 ( 6.892 15.201 23.561) 28.873 2.325 ( 19.638 30.284 15.349) 39.222 3.112 ( 0.838 4.136 -3.238) 5.319 3.438 ( 12.148 15.802 -0.282) 19.934 6.050 ( -5.025 -9.064 -4.261) 11.205 7.804 ( 5.898 7.641 1.103) 9.715 9.631 ( 14.393 16.579 -12.342) 25.186 10.895 ( -6.004 5.542 -21.078) 22.606 11.227 ( -1.837 -2.542 -1.848) 3.640 14.443 ( -5.341 -14.819 8.840) 18.064 15.272 ( 3.424 6.948 -11.973) 14.260 ======================= Grid point 947 (322/489) ======================= q-point: ( 0.35 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 13.423 21.535 8.127) 26.645 1.909 ( 5.865 10.825 21.172) 24.491 3.097 ( 28.100 29.592 2.025) 40.859 3.177 ( 2.146 5.946 -3.288) 7.125 3.880 ( 18.453 16.249 3.488) 24.834 5.884 ( -4.290 -5.096 -6.112) 9.041 8.035 ( 9.464 10.685 1.207) 14.324 9.578 ( -12.241 -14.659 4.846) 19.703 10.991 ( 8.114 6.610 -19.395) 22.038 11.187 ( 0.241 7.329 -12.595) 14.574 14.197 ( -8.825 -16.629 13.524) 23.180 15.284 ( -2.194 1.905 -14.053) 14.350 ======================= Grid point 948 (323/489) ======================= q-point: ( 0.41 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 8.458 10.750 13.671) 19.338 2.305 ( 14.072 19.830 5.935) 25.029 3.267 ( 2.270 6.941 -3.227) 7.984 3.853 ( 27.182 23.289 -5.368) 36.195 4.391 ( 19.604 14.655 6.634) 25.360 5.758 ( -3.112 -3.162 -4.837) 6.564 8.347 ( 11.765 13.320 1.201) 17.812 9.202 ( -13.824 -11.333 3.301) 18.178 10.992 ( -1.759 -3.189 -1.655) 4.001 11.306 ( 5.891 6.479 -23.438) 25.020 13.880 ( -13.324 -18.525 15.570) 27.624 15.183 ( -4.381 0.599 -13.077) 13.805 ======================= Grid point 949 (324/489) ======================= q-point: ( 0.47 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 10.668 10.056 6.937) 16.218 2.742 ( 12.110 18.172 4.300) 22.256 3.368 ( 1.850 7.728 -3.146) 8.546 4.430 ( 19.367 13.771 -10.656) 26.044 4.868 ( 16.795 11.857 7.133) 21.760 5.706 ( 0.975 -0.056 -0.011) 0.977 8.702 ( 11.932 14.478 1.149) 18.796 8.953 ( -5.941 -3.878 1.072) 7.175 10.927 ( -2.626 -0.470 -0.480) 2.710 11.303 ( -0.252 -2.643 -19.252) 19.434 13.435 ( -20.859 -20.244 12.129) 31.496 15.112 ( -0.088 0.938 -7.580) 7.638 ======================= Grid point 950 (325/489) ======================= q-point: ( 0.53 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( 10.739 8.002 1.502) 13.477 3.110 ( 8.608 16.615 3.002) 18.951 3.462 ( 0.837 8.022 -2.919) 8.577 4.706 ( 6.957 4.031 -13.055) 15.333 5.240 ( 12.099 7.945 5.183) 15.375 5.820 ( 8.360 4.072 5.746) 10.931 8.915 ( 4.295 1.971 0.176) 4.729 9.058 ( 9.233 15.197 0.064) 17.782 10.894 ( -1.703 1.248 -0.207) 2.122 11.158 ( -4.164 -5.736 -14.843) 16.449 12.839 ( -27.116 -19.606 6.895) 34.165 15.150 ( 4.937 0.195 -1.504) 5.165 ======================= Grid point 951 (326/489) ======================= q-point: ( 0.59 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.029 ( 8.517 5.057 -3.140) 10.391 3.388 ( 4.193 14.821 1.819) 15.509 3.537 ( -0.585 8.031 -2.361) 8.391 4.736 ( 0.576 0.196 -10.804) 10.821 5.482 ( 7.624 3.848 2.974) 9.043 6.057 ( 9.968 3.832 7.711) 13.172 9.103 ( 12.418 6.354 -1.787) 14.063 9.337 ( 5.231 14.248 -0.417) 15.184 10.873 ( -0.606 -2.592 -2.319) 3.530 10.990 ( -5.505 -2.082 -7.347) 9.414 12.192 ( -27.419 -15.023 3.718) 31.486 15.253 ( 6.882 -1.557 1.910) 7.310 ======================= Grid point 952 (327/489) ======================= q-point: ( 0.65 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.163 ( 4.498 1.761 -6.812) 8.351 3.548 ( -1.990 10.750 -1.209) 10.999 3.601 ( -0.756 9.793 0.463) 9.833 4.718 ( 1.169 0.771 -7.499) 7.629 5.606 ( 3.676 0.129 1.076) 3.833 6.247 ( 5.699 0.513 8.120) 9.934 9.436 ( 17.495 8.185 -4.468) 19.825 9.514 ( 0.265 11.868 -1.257) 11.938 10.761 ( -7.184 -5.036 -4.550) 9.883 10.895 ( -1.858 -3.099 1.947) 4.105 11.687 ( -18.249 -4.020 1.774) 18.770 15.353 ( 6.278 -3.384 3.279) 7.850 ======================= Grid point 953 (328/489) ======================= q-point: (-0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( -0.096 -1.295 -8.121) 8.224 3.554 ( -6.327 7.835 -2.238) 10.317 3.681 ( -2.887 9.895 1.352) 10.396 4.764 ( 4.772 2.601 -6.105) 8.173 5.622 ( -0.239 -3.168 0.365) 3.198 6.300 ( -1.121 -3.388 8.143) 8.891 9.570 ( -4.530 7.484 -1.258) 8.838 9.778 ( 12.874 3.439 -7.732) 15.406 10.536 ( -9.304 -0.484 1.910) 9.510 10.880 ( 3.159 -3.822 1.318) 5.131 11.512 ( -4.869 5.855 0.666) 7.644 15.420 ( 4.723 -4.569 3.858) 7.620 ======================= Grid point 954 (329/489) ======================= q-point: (-0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.091 ( -4.105 -3.529 -6.754) 8.656 3.474 ( -10.310 5.966 -1.650) 12.025 3.702 ( -5.348 8.075 0.754) 9.715 4.889 ( 7.984 3.797 -7.968) 11.901 5.542 ( -3.961 -5.562 1.747) 7.049 6.187 ( -8.892 -6.922 8.039) 13.842 9.494 ( -8.086 -0.233 -0.662) 8.117 9.746 ( -10.942 -4.542 -1.306) 11.919 10.650 ( 14.774 8.912 -5.336) 18.060 10.915 ( 1.572 2.642 0.095) 3.076 11.595 ( 5.774 7.170 2.136) 9.450 15.457 ( 3.683 -4.617 4.230) 7.265 ======================= Grid point 955 (330/489) ======================= q-point: (-0.18 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( -7.863 -5.023 -3.796) 10.073 3.301 ( -14.594 3.248 -0.476) 14.959 3.666 ( -6.913 6.050 0.009) 9.187 5.023 ( 5.508 1.819 -13.576) 14.763 5.410 ( -4.745 -5.162 5.619) 8.985 5.909 ( -16.090 -9.489 8.444) 20.499 9.291 ( -10.364 -6.757 1.202) 12.431 9.470 ( -15.419 -2.155 1.486) 15.640 10.848 ( 0.958 1.491 -0.583) 1.866 11.159 ( 19.614 13.991 -14.704) 28.225 11.846 ( 12.955 6.455 6.463) 15.852 15.492 ( 3.790 -3.557 4.037) 6.581 ======================= Grid point 963 (331/489) ======================= q-point: ( 0.29 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -0.000 22.558 9.896) 24.633 1.800 ( -0.000 17.131 22.240) 28.073 2.551 ( -0.000 37.769 11.410) 39.455 3.133 ( 0.000 4.133 -3.394) 5.348 3.520 ( -0.000 21.113 0.572) 21.121 5.981 ( 0.000 -8.971 -5.276) 10.407 7.845 ( -0.000 10.730 1.063) 10.782 9.631 ( 0.000 6.600 -2.862) 7.194 10.973 ( 0.000 12.315 -28.228) 30.798 11.185 ( 0.000 -5.480 -0.794) 5.537 14.342 ( -0.000 -19.212 10.487) 21.888 15.286 ( 0.000 7.813 -12.131) 14.429 ======================= Grid point 964 (332/489) ======================= q-point: ( 0.35 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 7.672 22.796 7.719) 25.261 2.037 ( 1.602 13.025 20.531) 24.367 3.081 ( 12.798 37.339 1.413) 39.497 3.191 ( 2.403 5.885 -3.397) 7.208 3.834 ( 9.365 22.162 3.853) 24.366 5.864 ( -2.148 -6.196 -6.178) 9.010 8.024 ( 5.933 13.396 1.240) 14.703 9.583 ( -4.029 -13.588 5.848) 15.332 10.971 ( -2.686 9.463 -20.592) 22.821 11.179 ( 3.160 2.849 -11.554) 12.312 14.145 ( -3.193 -21.523 13.408) 25.558 15.306 ( -1.363 4.865 -13.450) 14.367 ======================= Grid point 965 (333/489) ======================= q-point: ( 0.41 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 3.329 11.893 14.668) 19.175 2.326 ( 11.345 22.331 6.368) 25.844 3.294 ( 3.013 7.772 -3.160) 8.914 3.697 ( 18.265 29.423 -5.864) 35.124 4.281 ( 14.438 20.483 6.949) 26.005 5.754 ( -2.271 -3.817 -5.271) 6.893 8.316 ( 9.673 16.272 1.599) 18.997 9.307 ( -10.932 -13.790 4.367) 18.131 10.955 ( 0.681 -0.892 -5.822) 5.929 11.234 ( 2.603 5.260 -19.920) 20.767 13.884 ( -6.450 -23.339 15.098) 28.535 15.243 ( -4.986 2.784 -13.376) 14.544 ======================= Grid point 966 (334/489) ======================= q-point: ( 0.47 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 5.972 10.929 8.788) 15.243 2.766 ( 11.204 21.807 5.026) 25.027 3.420 ( 2.233 9.956 -3.171) 10.685 4.230 ( 17.402 17.885 -9.261) 26.617 4.752 ( 14.573 16.983 6.748) 23.374 5.692 ( -0.159 -0.788 -1.790) 1.962 8.680 ( 10.781 18.349 2.141) 21.389 9.033 ( -8.345 -6.329 1.738) 10.616 10.944 ( 0.348 -0.441 -1.541) 1.640 11.213 ( 0.116 -2.487 -18.469) 18.636 13.533 ( -11.900 -24.591 13.175) 30.330 15.137 ( -4.475 1.744 -9.979) 11.075 ======================= Grid point 967 (335/489) ======================= q-point: ( 0.53 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 7.564 8.910 3.686) 12.256 3.172 ( 8.675 21.289 3.926) 23.322 3.545 ( 0.699 11.602 -3.073) 12.023 4.569 ( 10.356 7.085 -10.901) 16.622 5.141 ( 11.384 11.139 4.681) 16.601 5.749 ( 5.393 3.151 3.228) 7.031 8.899 ( -0.394 0.729 1.749) 1.935 9.084 ( 8.835 19.550 1.019) 21.478 10.944 ( -1.710 2.198 -1.100) 2.994 11.091 ( -1.160 -6.812 -14.835) 16.365 13.054 ( -19.036 -23.319 8.194) 31.197 15.084 ( 0.544 -0.462 -4.299) 4.358 ======================= Grid point 968 (336/489) ======================= q-point: ( 0.59 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.941 ( 7.179 5.979 -0.809) 9.378 3.510 ( 4.472 20.738 2.897) 21.411 3.654 ( -1.216 12.601 -2.655) 12.935 4.681 ( 2.887 1.395 -10.313) 10.800 5.400 ( 7.734 5.100 3.345) 9.849 5.939 ( 9.616 3.484 5.872) 11.793 8.987 ( 7.105 5.120 0.293) 8.762 9.423 ( 5.704 19.973 1.231) 20.808 10.852 ( -3.686 -6.714 -7.589) 10.782 11.031 ( -0.997 3.094 -4.033) 5.180 12.486 ( -23.132 -18.170 3.749) 29.653 15.112 ( 5.447 -3.854 0.128) 6.674 ======================= Grid point 969 (337/489) ======================= q-point: ( 0.65 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.084 ( 4.930 2.854 -4.622) 7.336 3.730 ( -3.670 14.863 -2.934) 15.588 3.761 ( -0.464 17.993 2.931) 18.236 4.684 ( 0.853 0.735 -7.905) 7.984 5.538 ( 4.374 0.099 1.776) 4.721 6.144 ( 8.702 -0.062 6.817) 11.055 9.232 ( 13.229 7.506 -1.605) 15.295 9.670 ( 0.098 17.647 0.587) 17.657 10.718 ( 0.090 -7.095 -5.624) 9.054 10.999 ( -7.230 2.679 0.008) 7.710 11.973 ( -19.578 -7.788 0.835) 21.087 15.181 ( 7.815 -6.939 2.267) 10.694 ======================= Grid point 970 (338/489) ======================= q-point: ( 0.71 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.136 ( 1.433 0.253 -6.692) 6.848 3.769 ( -6.629 13.127 -2.788) 14.968 3.905 ( -5.216 17.973 2.562) 18.889 4.702 ( 2.650 1.837 -6.254) 7.037 5.572 ( 1.599 -4.087 0.710) 4.445 6.261 ( 4.131 -4.064 7.219) 9.257 9.541 ( 13.638 4.857 -4.993) 15.315 9.774 ( -4.833 12.552 0.341) 13.455 10.703 ( 2.094 1.334 -1.286) 2.796 10.815 ( -10.828 -3.834 2.390) 11.732 11.702 ( -9.946 3.850 -1.107) 10.723 15.249 ( 8.023 -8.744 3.002) 12.241 ======================= Grid point 971 (339/489) ======================= q-point: (-0.24 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( -2.271 -1.414 -6.242) 6.791 3.739 ( -10.318 11.428 -2.577) 15.611 3.958 ( -9.091 16.122 1.960) 18.612 4.777 ( 5.695 2.672 -6.922) 9.354 5.525 ( -0.823 -6.883 1.326) 7.057 6.243 ( -2.537 -7.120 7.193) 10.434 9.594 ( -5.009 -5.016 -2.929) 7.670 9.856 ( -1.291 8.218 -1.520) 8.457 10.635 ( -4.319 7.783 -0.209) 8.903 10.853 ( 7.713 2.850 1.244) 8.317 11.644 ( -2.831 6.093 -0.926) 6.782 15.303 ( 7.380 -8.887 3.105) 11.962 ======================= Grid point 972 (340/489) ======================= q-point: (-0.18 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( -5.727 -2.302 -3.941) 7.323 3.617 ( -14.593 8.642 -1.550) 17.031 3.927 ( -11.713 13.043 0.810) 17.549 4.892 ( 6.849 2.151 -10.504) 12.723 5.429 ( -2.443 -7.138 4.116) 8.594 6.075 ( -10.105 -8.850 7.087) 15.187 9.382 ( -9.076 -8.911 0.381) 12.725 9.754 ( -14.778 3.149 0.320) 15.113 10.806 ( 9.108 10.609 -5.820) 15.146 11.020 ( 5.970 8.104 -2.595) 10.394 11.732 ( 7.328 4.337 2.717) 8.938 15.353 ( 6.968 -7.572 2.586) 10.610 ======================= Grid point 981 (341/489) ======================= q-point: ( 0.35 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( -0.000 21.748 6.111) 22.590 2.217 ( -0.000 12.337 17.902) 21.741 3.204 ( 0.000 5.031 -3.647) 6.214 3.367 ( 0.000 38.334 -2.989) 38.451 4.020 ( -0.000 26.381 6.295) 27.121 5.803 ( 0.000 -5.348 -5.936) 7.990 8.119 ( -0.000 15.637 1.051) 15.672 9.501 ( -0.000 -14.205 6.807) 15.752 11.060 ( 0.000 -6.269 -0.649) 6.303 11.085 ( 0.000 12.744 -29.827) 32.435 13.984 ( -0.000 -24.191 14.609) 28.260 15.333 ( 0.000 5.483 -13.267) 14.355 ======================= Grid point 982 (342/489) ======================= q-point: ( 0.41 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 5.438 17.375 7.030) 19.516 2.393 ( 3.407 14.604 11.307) 18.782 3.285 ( 4.215 5.996 -3.458) 8.104 3.770 ( 6.888 30.937 -7.509) 32.572 4.370 ( 5.792 27.158 8.130) 28.935 5.730 ( -1.049 -3.192 -4.713) 5.788 8.347 ( 6.494 17.622 1.181) 18.818 9.332 ( -5.697 -12.621 4.405) 14.531 10.946 ( -2.870 -1.900 -5.084) 6.139 11.152 ( 4.052 2.053 -19.445) 19.968 13.757 ( -2.584 -26.167 15.107) 30.325 15.314 ( -3.418 4.565 -12.866) 14.073 ======================= Grid point 983 (343/489) ======================= q-point: ( 0.47 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 2.445 10.056 8.416) 13.339 2.790 ( 12.160 20.191 4.477) 23.991 3.436 ( 5.755 8.217 -3.339) 10.573 4.150 ( 9.999 19.767 -8.464) 23.714 4.779 ( 7.954 23.746 6.303) 25.824 5.687 ( -0.437 0.114 -1.887) 1.940 8.692 ( 10.561 19.446 1.842) 22.205 9.115 ( -7.695 -6.547 1.211) 10.176 10.908 ( 1.409 -0.773 -2.670) 3.116 11.126 ( 0.539 -4.153 -15.647) 16.198 13.461 ( -5.832 -27.635 13.628) 31.360 15.227 ( -6.322 3.309 -10.944) 13.065 ======================= Grid point 984 (344/489) ======================= q-point: ( 0.53 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 4.460 8.358 4.427) 10.457 3.219 ( 11.947 19.987 4.105) 23.644 3.614 ( 4.435 11.242 -3.521) 12.587 4.442 ( 9.374 9.064 -7.949) 15.272 5.126 ( 6.782 15.889 3.171) 17.565 5.724 ( 2.460 4.264 1.917) 5.282 8.948 ( -3.210 1.158 1.506) 3.730 9.125 ( 10.221 19.958 0.939) 22.443 10.955 ( 3.880 1.845 -2.562) 5.003 10.997 ( -2.973 -7.644 -11.858) 14.418 13.082 ( -10.414 -27.118 9.932) 30.700 15.112 ( -5.495 1.018 -7.107) 9.041 ======================= Grid point 985 (345/489) ======================= q-point: ( 0.59 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( 5.179 5.945 0.913) 7.937 3.618 ( 9.057 19.765 4.126) 22.129 3.785 ( 1.587 14.381 -3.719) 14.939 4.600 ( 5.190 2.544 -7.748) 9.667 5.354 ( 5.323 7.460 2.511) 9.502 5.857 ( 5.621 4.827 3.829) 8.340 8.962 ( 2.075 5.260 0.690) 5.696 9.516 ( 8.597 21.035 2.094) 22.820 10.806 ( -3.883 -9.818 -10.003) 14.544 11.058 ( 2.950 6.699 -1.532) 7.478 12.629 ( -14.939 -22.779 5.393) 27.770 15.027 ( -1.118 -2.986 -2.786) 4.234 ======================= Grid point 986 (346/489) ======================= q-point: ( 0.65 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.024 ( 4.322 3.404 -2.233) 5.937 3.913 ( 0.269 14.449 -0.246) 14.454 3.962 ( 2.144 21.668 1.022) 21.798 4.648 ( 1.822 1.110 -7.094) 7.408 5.481 ( 3.308 1.216 2.016) 4.061 6.013 ( 7.367 0.083 4.688) 8.733 9.125 ( 8.046 8.425 0.233) 11.652 9.829 ( 3.398 17.981 1.988) 18.407 10.627 ( -1.690 -9.276 -6.659) 11.543 11.149 ( -2.478 8.860 -0.734) 9.229 12.180 ( -15.353 -13.489 1.364) 20.482 14.997 ( 4.011 -7.529 0.280) 8.535 ======================= Grid point 987 (347/489) ======================= q-point: ( 0.71 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( 2.231 1.424 -4.396) 5.131 4.011 ( -4.881 15.392 -2.453) 16.333 4.191 ( -2.482 21.032 3.756) 21.509 4.666 ( 1.479 1.978 -6.395) 6.855 5.507 ( 0.938 -3.970 0.648) 4.131 6.131 ( 7.043 -5.354 5.695) 10.521 9.381 ( 10.686 8.157 -1.469) 13.523 9.973 ( -4.096 10.059 0.798) 10.890 10.564 ( 5.599 -5.881 -2.081) 8.382 11.104 ( -12.818 8.984 1.444) 15.719 11.888 ( -9.451 -0.911 -2.096) 9.723 15.012 ( 7.711 -10.706 1.705) 13.304 ======================= Grid point 988 (348/489) ======================= q-point: (-0.24 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.103 ( -0.574 0.332 -4.791) 4.836 4.033 ( -9.113 14.388 -2.651) 17.236 4.314 ( -8.424 19.741 3.691) 21.778 4.708 ( 2.859 2.895 -6.439) 7.617 5.453 ( 0.189 -8.024 0.546) 8.045 6.174 ( 3.599 -8.689 6.010) 11.161 9.564 ( 2.569 0.367 -3.304) 4.201 9.964 ( -2.712 6.113 0.803) 6.736 10.637 ( 7.067 -6.139 -0.054) 9.361 10.999 ( -11.362 18.481 2.667) 21.858 11.772 ( -6.113 3.440 -3.214) 7.716 15.056 ( 9.456 -11.415 1.908) 14.945 ======================= Grid point 989 (349/489) ======================= q-point: (-0.18 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.054 ( -3.618 -0.006 -3.423) 4.980 3.959 ( -13.548 11.396 -2.096) 17.828 4.313 ( -13.767 16.477 1.928) 21.557 4.780 ( 4.703 2.570 -7.988) 9.619 5.376 ( 0.525 -8.716 2.806) 9.171 6.113 ( -2.361 -9.553 5.665) 11.355 9.447 ( -8.186 -6.819 -0.994) 10.701 9.980 ( -5.917 3.704 0.734) 7.019 10.711 ( 8.542 2.024 -4.933) 10.069 11.116 ( -2.167 19.498 3.078) 19.858 11.708 ( -1.428 0.429 -1.273) 1.961 15.122 ( 9.777 -9.895 1.171) 13.960 ======================= Grid point 999 (350/489) ======================= q-point: ( 0.41 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -0.000 19.213 3.777) 19.581 2.528 ( -0.000 9.717 10.129) 14.036 3.284 ( 0.000 5.241 -3.675) 6.401 3.981 ( 0.000 25.992 -8.579) 27.371 4.642 ( -0.000 29.644 7.983) 30.700 5.704 ( 0.000 -0.918 -3.183) 3.313 8.469 ( -0.000 18.167 0.615) 18.177 9.281 ( -0.000 -9.415 2.268) 9.685 10.940 ( 0.000 -5.002 -0.224) 5.007 11.050 ( 0.000 0.018 -19.841) 19.841 13.554 ( -0.000 -28.081 14.578) 31.639 15.357 ( 0.000 5.205 -11.919) 13.006 ======================= Grid point 1000 (351/489) ======================= q-point: ( 0.47 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 0.514 8.307 6.387) 10.491 2.800 ( 8.905 17.661 3.339) 20.059 3.382 ( 6.048 5.841 -3.486) 9.102 4.208 ( 3.216 17.918 -7.746) 19.784 4.972 ( 2.067 26.291 5.194) 26.879 5.704 ( -0.250 3.177 -0.649) 3.252 8.723 ( 7.639 18.564 0.644) 20.085 9.168 ( -4.463 -4.560 -0.964) 6.453 10.880 ( -0.602 -2.001 -1.692) 2.689 11.004 ( 2.261 -5.687 -12.315) 13.751 13.286 ( -2.510 -29.518 12.835) 32.286 15.333 ( -4.518 4.733 -10.418) 12.302 ======================= Grid point 1001 (352/489) ======================= q-point: ( 0.53 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 2.224 6.793 3.701) 8.049 3.184 ( 13.685 16.385 3.321) 21.605 3.577 ( 9.214 8.002 -3.628) 12.732 4.393 ( 4.568 9.548 -5.808) 12.073 5.238 ( 1.422 17.557 1.660) 17.693 5.767 ( 0.558 8.456 2.045) 8.717 9.025 ( -1.393 4.663 -0.184) 4.870 9.130 ( 9.263 15.576 -1.167) 18.160 10.868 ( 1.097 -4.750 -6.063) 7.780 10.941 ( 1.679 -2.596 -3.679) 4.806 12.958 ( -5.079 -29.538 10.057) 31.614 15.233 ( -7.915 3.192 -8.090) 11.759 ======================= Grid point 1002 (353/489) ======================= q-point: ( 0.59 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( 3.481 5.048 1.674) 6.356 3.600 ( 14.089 14.766 3.863) 20.772 3.825 ( 8.667 12.451 -4.299) 15.768 4.519 ( 4.490 3.247 -4.235) 6.974 5.389 ( 0.919 8.574 1.047) 8.686 5.883 ( 0.648 9.467 2.406) 9.789 9.013 ( -1.172 5.958 -1.211) 6.192 9.540 ( 12.685 18.964 1.080) 22.841 10.738 ( -2.961 -9.427 -7.356) 12.318 11.037 ( 6.121 5.290 -0.498) 8.105 12.590 ( -7.508 -26.608 6.821) 28.476 15.085 ( -8.170 0.193 -5.117) 9.642 ======================= Grid point 1003 (354/489) ======================= q-point: ( 0.65 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( 3.484 3.258 -0.210) 4.774 3.964 ( 10.007 11.991 2.800) 15.867 4.098 ( 6.271 18.642 -2.642) 19.846 4.594 ( 3.456 0.971 -4.124) 5.467 5.465 ( 1.214 2.093 2.017) 3.150 5.968 ( 0.293 4.003 1.836) 4.414 9.114 ( 3.930 9.455 -0.201) 10.242 9.906 ( 8.123 15.487 1.723) 17.573 10.561 ( -3.862 -8.925 -5.562) 11.203 11.220 ( 5.576 9.541 -0.986) 11.095 12.230 ( -8.439 -19.212 3.599) 21.290 14.936 ( -4.880 -4.212 -2.188) 6.807 ======================= Grid point 1004 (355/489) ======================= q-point: ( 0.71 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( 2.453 1.933 -1.839) 3.624 4.192 ( 1.713 13.501 -1.221) 13.664 4.388 ( 4.421 18.147 3.857) 19.072 4.643 ( 2.105 2.966 -5.981) 7.000 5.478 ( -0.572 -2.369 1.145) 2.693 5.993 ( 2.513 -4.413 2.845) 5.821 9.319 ( 7.301 10.486 -0.003) 12.777 10.111 ( -0.235 8.354 1.171) 8.439 10.420 ( 0.750 -8.217 -2.911) 8.749 11.367 ( -2.585 12.384 0.552) 12.663 11.975 ( -5.298 -7.092 -0.388) 8.861 14.830 ( 0.763 -8.606 -0.055) 8.640 ======================= Grid point 1005 (356/489) ======================= q-point: ( 0.76 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.098 ( 0.731 1.378 -2.663) 3.086 4.299 ( -4.630 13.935 -1.919) 14.809 4.589 ( -1.489 10.844 4.555) 11.856 4.716 ( 1.599 10.905 -5.233) 12.201 5.398 ( -3.440 -6.014 -0.989) 6.999 6.000 ( 5.846 -10.841 4.448) 13.096 9.530 ( 4.723 7.050 -1.045) 8.550 10.079 ( -5.853 2.008 0.405) 6.201 10.431 ( 7.937 -6.986 -0.514) 10.586 11.392 ( -9.603 16.011 3.526) 19.000 11.878 ( -4.023 1.314 -4.010) 5.831 14.797 ( 6.548 -10.636 0.776) 12.514 ======================= Grid point 1006 (357/489) ======================= q-point: (-0.18 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.098 ( -1.513 1.512 -2.306) 3.145 4.290 ( -10.993 11.973 -1.904) 16.366 4.615 ( -3.178 4.032 -0.969) 5.225 4.830 ( -5.568 16.255 -1.227) 17.226 5.269 ( 0.014 -10.135 0.224) 10.138 6.000 ( 4.928 -11.417 4.372) 13.182 9.535 ( -6.913 -1.293 -0.926) 7.094 10.061 ( -0.547 3.444 1.111) 3.660 10.518 ( 9.980 -4.496 -2.568) 11.243 11.438 ( -6.595 19.667 4.950) 21.326 11.772 ( -7.356 -1.202 -4.302) 8.606 14.846 ( 10.116 -9.270 0.203) 13.723 ======================= Grid point 1017 (358/489) ======================= q-point: ( 0.47 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( -0.000 6.432 4.049) 7.600 2.892 ( -0.000 15.612 2.543) 15.818 3.365 ( 0.000 4.985 -3.386) 6.026 4.318 ( 0.000 13.025 -6.316) 14.476 5.220 ( -0.000 22.062 2.648) 22.221 5.764 ( -0.000 8.719 1.352) 8.823 8.830 ( -0.000 17.012 -0.157) 17.013 9.168 ( 0.000 -1.257 -4.116) 4.304 10.869 ( -0.000 -1.849 0.380) 1.888 10.881 ( 0.000 -6.548 -8.420) 10.666 13.042 ( -0.000 -30.771 10.820) 32.617 15.395 ( 0.000 5.258 -9.150) 10.553 ======================= Grid point 1018 (359/489) ======================= q-point: ( 0.53 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( 0.723 5.019 2.530) 5.666 3.132 ( 9.425 13.482 2.474) 16.634 3.474 ( 7.663 5.464 -3.279) 9.966 4.418 ( 1.345 7.670 -4.154) 8.826 5.401 ( -0.695 13.744 0.170) 13.763 5.888 ( -0.274 14.245 2.485) 14.463 9.065 ( 6.386 13.336 -0.467) 14.793 9.141 ( 0.120 5.275 -5.597) 7.692 10.789 ( -0.459 -6.973 -3.402) 7.772 10.882 ( 2.274 0.122 0.084) 2.279 12.744 ( -1.955 -30.771 8.247) 31.917 15.371 ( -5.537 4.678 -7.541) 10.460 ======================= Grid point 1019 (360/489) ======================= q-point: ( 0.59 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( 2.139 3.858 1.988) 4.839 3.480 ( 14.593 10.782 2.972) 18.386 3.714 ( 13.209 8.082 -3.756) 15.934 4.492 ( 1.821 3.536 -1.917) 4.415 5.482 ( -1.704 7.348 -0.079) 7.543 6.025 ( -1.883 13.960 1.383) 14.154 9.101 ( -2.191 6.770 -4.237) 8.282 9.464 ( 15.176 14.990 -0.659) 21.342 10.686 ( -2.447 -6.975 -2.145) 7.696 10.967 ( 5.731 2.654 0.604) 6.344 12.422 ( -3.029 -28.242 5.916) 29.013 15.252 ( -10.006 3.010 -5.687) 11.896 ======================= Grid point 1020 (361/489) ======================= q-point: ( 0.65 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( 2.727 2.745 1.491) 4.146 3.844 ( 15.081 7.772 2.766) 17.189 4.061 ( 15.274 12.968 -3.746) 20.384 4.543 ( 2.041 1.049 -0.407) 2.330 5.498 ( -2.010 2.223 1.010) 3.163 6.087 ( -4.880 9.042 -0.290) 10.279 9.165 ( 1.282 9.844 -2.134) 10.154 9.860 ( 13.277 11.764 -0.001) 17.739 10.555 ( -4.798 -4.838 -2.033) 7.111 11.139 ( 10.252 3.870 -0.219) 10.960 12.130 ( -2.928 -21.674 4.427) 22.314 15.060 ( -11.719 0.272 -3.671) 12.283 ======================= Grid point 1021 (362/489) ======================= q-point: ( 0.71 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( 2.385 1.893 0.636) 3.110 4.170 ( 12.517 7.687 1.049) 14.727 4.438 ( 10.694 15.318 -0.351) 18.685 4.594 ( 4.047 1.058 -1.953) 4.616 5.468 ( -1.413 -2.954 2.116) 3.899 6.032 ( -7.418 2.007 -1.028) 7.753 9.323 ( 4.890 11.062 -0.393) 12.101 10.116 ( 6.944 3.481 0.613) 7.792 10.410 ( -6.968 -2.558 -1.833) 7.646 11.387 ( 11.553 6.433 -1.652) 13.326 11.938 ( -1.196 -11.050 3.452) 11.638 14.846 ( -9.633 -3.095 -1.699) 10.259 ======================= Grid point 1022 (363/489) ======================= q-point: ( 0.76 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.088 ( 1.544 1.621 -0.291) 2.258 4.410 ( 4.743 7.905 -0.704) 9.246 4.645 ( 4.549 4.184 4.408) 7.591 4.767 ( 4.999 12.815 -4.917) 14.607 5.418 ( -0.631 -3.700 1.163) 3.929 5.881 ( -5.766 -7.192 0.191) 9.220 9.525 ( 5.422 9.149 0.012) 10.635 10.199 ( -0.049 0.306 0.461) 0.556 10.261 ( -2.796 -5.178 -0.879) 5.950 11.593 ( 2.685 7.842 0.007) 8.289 11.895 ( 1.661 -0.772 0.248) 1.848 14.679 ( -3.466 -5.490 -0.245) 6.497 ======================= Grid point 1023 (364/489) ======================= q-point: (-0.18 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( 0.314 1.994 -0.810) 2.175 4.494 ( -1.210 4.941 -0.162) 5.089 4.717 ( -6.907 8.095 -4.887) 11.710 4.936 ( 9.080 1.019 6.012) 10.938 5.344 ( -11.701 6.444 -3.867) 13.907 5.763 ( 6.795 -14.657 3.140) 16.458 9.631 ( -2.088 2.985 -0.255) 3.652 10.125 ( -4.149 2.091 1.405) 4.855 10.293 ( 8.733 -4.530 -1.845) 10.010 11.648 ( -2.434 3.408 2.566) 4.911 11.905 ( -4.447 4.844 -2.343) 6.980 14.635 ( 4.478 -4.697 -0.069) 6.490 ======================= Grid point 1035 (365/489) ======================= q-point: ( 0.53 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( -0.000 3.563 2.121) 4.147 3.176 ( -0.000 11.056 2.103) 11.254 3.441 ( 0.000 4.637 -2.854) 5.444 4.460 ( 0.000 4.889 -2.199) 5.361 5.521 ( 0.000 9.084 -0.723) 9.113 6.058 ( -0.000 16.627 1.772) 16.721 9.129 ( 0.000 12.647 -0.597) 12.661 9.171 ( 0.000 5.167 -7.664) 9.243 10.725 ( -0.000 -5.940 1.106) 6.042 10.872 ( -0.000 1.629 0.623) 1.744 12.471 ( -0.000 -30.706 5.600) 31.213 15.449 ( 0.000 4.949 -6.445) 8.126 ======================= Grid point 1036 (366/489) ======================= q-point: ( 0.59 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( 0.963 2.789 2.747) 4.032 3.366 ( 9.386 8.113 2.322) 12.621 3.562 ( 9.286 5.333 -2.844) 11.080 4.501 ( 0.642 2.812 -0.195) 2.891 5.579 ( -1.655 5.762 -0.807) 6.049 6.207 ( -1.703 14.352 0.075) 14.453 9.192 ( -1.603 8.026 -5.808) 10.036 9.347 ( 11.209 10.529 -1.129) 15.420 10.668 ( -1.595 -4.242 2.827) 5.342 10.917 ( 2.540 2.063 0.643) 3.335 12.181 ( -0.417 -28.096 3.352) 28.298 15.421 ( -6.462 4.176 -5.242) 9.309 ======================= Grid point 1037 (367/489) ======================= q-point: ( 0.65 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( 1.892 2.170 3.339) 4.409 3.651 ( 14.395 4.865 2.433) 15.389 3.851 ( 17.298 7.344 -2.993) 19.030 4.538 ( 0.773 1.748 1.503) 2.431 5.575 ( -3.410 2.539 -0.282) 4.260 6.271 ( -4.852 9.741 -1.745) 11.021 9.250 ( -0.432 10.320 -2.888) 10.725 9.693 ( 16.325 8.049 -0.920) 18.225 10.606 ( -3.432 -0.433 1.768) 3.885 10.994 ( 5.976 -1.832 0.356) 6.261 11.942 ( 0.986 -20.732 2.569) 20.914 15.280 ( -11.847 2.730 -3.951) 12.783 ======================= Grid point 1038 (368/489) ======================= q-point: ( 0.71 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.020 ( 2.059 1.493 3.069) 3.985 3.968 ( 16.296 3.440 1.937) 16.767 4.261 ( 20.853 8.483 -3.296) 22.752 4.573 ( 0.594 1.456 2.991) 3.379 5.508 ( -4.990 -1.399 0.564) 5.213 6.216 ( -8.924 4.590 -3.032) 10.483 9.368 ( 2.209 10.655 -0.194) 10.884 9.985 ( 10.287 1.060 -0.425) 10.350 10.546 ( -6.856 4.238 -0.176) 8.062 11.129 ( 15.604 -4.968 -1.196) 16.420 11.833 ( 2.652 -9.624 3.453) 10.563 15.054 ( -14.568 1.087 -2.507) 14.822 ======================= Grid point 1039 (369/489) ======================= q-point: ( 0.76 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.075 ( 1.852 1.095 2.052) 2.973 4.284 ( 15.007 2.806 1.180) 15.313 4.606 ( 3.261 0.411 1.785) 3.741 4.696 ( 16.281 10.378 -1.966) 19.407 5.385 ( -4.512 -6.163 1.871) 7.864 6.038 ( -12.926 0.163 -3.454) 13.380 9.521 ( 4.266 7.025 0.793) 8.257 10.083 ( 4.653 -3.595 -0.409) 5.894 10.428 ( -10.365 3.028 0.032) 10.798 11.427 ( 19.151 0.582 -3.771) 19.528 11.837 ( 3.144 -3.381 4.580) 6.504 14.806 ( -13.095 0.191 -0.996) 13.134 ======================= Grid point 1053 (370/489) ======================= q-point: ( 0.59 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( -0.000 2.098 4.255) 4.744 3.357 ( -0.000 5.541 2.044) 5.906 3.517 ( 0.000 4.495 -2.164) 4.989 4.522 ( -0.000 2.200 1.457) 2.639 5.641 ( 0.000 4.052 -1.170) 4.218 6.353 ( 0.000 11.415 -1.547) 11.519 9.281 ( 0.000 9.794 -4.675) 10.852 9.328 ( 0.000 7.506 -0.113) 7.507 10.659 ( -0.000 -3.170 4.806) 5.757 10.925 ( -0.000 2.744 0.026) 2.744 11.914 ( -0.000 -25.551 0.795) 25.564 15.506 ( 0.000 3.946 -4.575) 6.042 ======================= Grid point 1054 (371/489) ======================= q-point: ( 0.65 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( 0.877 1.613 5.526) 5.823 3.487 ( 8.990 2.798 2.070) 9.640 3.649 ( 10.659 4.476 -1.934) 11.721 4.555 ( 0.389 2.212 2.938) 3.698 5.648 ( -2.302 1.969 -1.114) 3.227 6.416 ( -2.653 6.951 -3.198) 8.098 9.368 ( -1.048 11.547 -0.676) 11.614 9.500 ( 11.676 5.152 -0.093) 12.763 10.642 ( -0.047 -1.696 3.557) 3.941 10.935 ( -1.068 -0.989 -0.698) 1.614 11.713 ( 2.943 -17.648 -0.061) 17.892 15.466 ( -6.982 3.046 -3.844) 8.533 ======================= Grid point 1055 (372/489) ======================= q-point: ( 0.71 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( 1.357 0.782 5.463) 5.684 3.721 ( 14.606 0.943 2.114) 14.788 3.950 ( 19.235 3.819 -2.100) 19.722 4.597 ( 0.332 2.678 4.248) 5.033 5.590 ( -4.921 -0.580 -0.862) 5.029 6.375 ( -6.083 2.354 -4.463) 7.903 9.465 ( -0.955 10.109 2.536) 10.466 9.781 ( 14.202 2.012 -0.381) 14.349 10.682 ( 1.610 5.953 0.968) 6.242 10.853 ( 1.250 -10.563 -1.579) 10.754 11.678 ( 6.043 -6.783 1.273) 9.173 15.308 ( -12.616 2.191 -2.909) 13.131 ======================= Grid point 1056 (373/489) ======================= q-point: (-0.24 -0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( 1.619 -0.127 4.168) 4.473 4.010 ( 17.099 -0.699 2.129) 17.245 4.346 ( 22.416 2.077 -3.105) 22.725 4.649 ( 0.764 3.387 5.734) 6.703 5.459 ( -7.552 -3.207 -0.698) 8.235 6.227 ( -9.767 -1.068 -4.927) 10.991 9.535 ( 0.135 2.394 2.880) 3.748 9.971 ( 6.777 0.515 -0.687) 6.831 10.637 ( -9.430 2.309 -0.035) 9.709 11.023 ( 22.718 -0.134 -2.331) 22.837 11.743 ( 5.023 -3.258 2.886) 6.646 15.074 ( -15.255 2.210 -1.656) 15.503 ======================= Grid point 1071 (374/489) ======================= q-point: ( 0.65 0.65 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( -0.000 0.959 7.324) 7.387 3.429 ( -0.000 0.738 1.668) 1.824 3.586 ( 0.000 3.072 -1.132) 3.274 4.589 ( -0.000 3.094 4.400) 5.379 5.678 ( 0.000 0.542 -1.471) 1.568 6.475 ( 0.000 2.555 -4.652) 5.308 9.435 ( -0.000 3.065 0.874) 3.187 9.506 ( -0.000 12.459 3.708) 12.999 10.604 ( -0.000 -5.847 1.341) 5.999 10.960 ( 0.000 0.705 -0.983) 1.210 11.529 ( 0.000 -10.334 -1.548) 10.450 15.544 ( 0.000 2.352 -3.672) 4.360 ======================= Grid point 1072 (375/489) ======================= q-point: (-0.29 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( 0.374 -0.275 7.401) 7.415 3.515 ( 9.193 -1.118 1.730) 9.421 3.703 ( 10.859 1.745 -0.978) 11.041 4.644 ( 0.085 4.243 5.807) 7.192 5.645 ( -2.784 -1.443 -1.640) 3.539 6.437 ( -2.713 -2.048 -5.832) 6.750 9.544 ( 7.062 0.090 1.432) 7.206 9.636 ( 1.380 10.144 6.464) 12.108 10.568 ( 3.928 -6.014 -1.401) 7.318 10.906 ( -5.247 0.394 -1.306) 5.422 11.527 ( 5.602 -0.905 -0.832) 5.736 15.491 ( -6.897 1.659 -3.301) 7.824 ======================= Grid point 1073 (376/489) ======================= q-point: (-0.24 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( 0.840 -1.937 5.736) 6.113 3.716 ( 14.866 -2.981 2.108) 15.308 3.974 ( 19.084 -0.247 -1.431) 19.139 4.710 ( -0.358 5.154 7.042) 8.735 5.541 ( -5.658 -3.399 -2.003) 6.898 6.307 ( -5.320 -5.620 -6.293) 9.974 9.564 ( -2.154 -4.786 3.434) 6.272 9.839 ( 10.065 2.614 1.901) 10.571 10.636 ( 8.010 -2.846 -0.344) 8.507 10.863 ( -0.699 8.327 -0.944) 8.409 11.638 ( 5.498 1.411 0.347) 5.687 15.330 ( -11.956 1.794 -2.508) 12.347 ======================= Grid point 1089 (377/489) ======================= q-point: (-0.29 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( -0.000 -1.814 8.047) 8.249 3.411 ( -0.000 -3.408 1.021) 3.558 3.618 ( 0.000 0.564 -0.202) 0.600 4.716 ( -0.000 5.960 7.591) 9.651 5.641 ( 0.000 -3.228 -2.192) 3.902 6.394 ( 0.000 -6.928 -6.981) 9.836 9.459 ( -0.000 -1.561 1.382) 2.085 9.740 ( -0.000 1.727 8.971) 9.136 10.501 ( 0.000 1.981 -1.094) 2.263 10.936 ( 0.000 -2.131 -1.486) 2.598 11.505 ( 0.000 7.450 -2.219) 7.773 15.553 ( 0.000 0.926 -3.572) 3.690 ======================= Grid point 1090 (378/489) ======================= q-point: (-0.24 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.028 ( -0.269 -4.124 6.455) 7.665 3.460 ( 9.817 -5.525 1.259) 11.335 3.707 ( 10.081 -0.938 -0.268) 10.128 4.806 ( -0.500 7.106 9.210) 11.643 5.566 ( -2.840 -5.125 -2.928) 6.551 6.262 ( -1.838 -11.014 -7.533) 13.470 9.487 ( 4.008 -6.505 0.836) 7.686 9.720 ( 2.065 -8.213 4.051) 9.388 10.605 ( 1.488 13.075 4.062) 13.772 10.917 ( 0.944 0.967 -0.429) 1.418 11.619 ( 2.395 9.970 -2.674) 10.596 15.494 ( -6.196 0.908 -3.430) 7.140 ======================= Grid point 1107 (379/489) ======================= q-point: (-0.24 -0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( -0.000 -6.680 6.020) 8.993 3.300 ( -0.000 -8.216 0.267) 8.220 3.608 ( -0.000 -1.531 0.277) 1.556 4.921 ( -0.000 7.859 11.490) 13.920 5.518 ( 0.000 -6.965 -4.077) 8.071 6.115 ( 0.000 -15.776 -8.341) 17.845 9.377 ( -0.000 -7.678 0.870) 7.728 9.589 ( 0.000 -15.227 -0.258) 15.229 10.828 ( -0.000 23.691 11.910) 26.516 10.874 ( 0.000 -2.609 -0.968) 2.783 11.719 ( 0.000 14.632 -5.009) 15.466 15.542 ( 0.000 0.612 -4.078) 4.124 ======================= Grid point 1234 (380/489) ======================= q-point: ( 0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -0.000 0.000 19.750) 19.750 0.884 ( -0.000 0.000 19.750) 19.750 1.815 ( -0.000 0.000 42.397) 42.397 3.045 ( 0.000 -0.000 -3.298) 3.298 3.045 ( 0.000 -0.000 -3.298) 3.298 6.793 ( 0.000 -0.000 -14.647) 14.647 7.639 ( -0.000 0.000 1.049) 1.049 7.639 ( -0.000 0.000 1.049) 1.049 11.308 ( 0.000 -0.000 -0.806) 0.806 11.308 ( 0.000 -0.000 -0.806) 0.806 14.728 ( -0.000 0.000 2.824) 2.824 14.979 ( 0.000 -0.000 -1.345) 1.345 ======================= Grid point 1235 (381/489) ======================= q-point: ( 0.29 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 13.131 7.581 15.912) 21.979 1.354 ( 24.030 13.874 17.151) 32.620 2.046 ( 11.036 6.372 31.884) 34.336 3.046 ( 1.453 0.839 -3.396) 3.788 3.197 ( 13.054 7.537 -1.889) 15.191 6.255 ( -17.802 -10.278 -3.793) 20.903 7.708 ( 5.094 2.941 1.052) 5.975 8.825 ( 62.622 36.155 -25.206) 76.577 11.023 ( -20.282 -11.710 -2.770) 23.583 11.272 ( -2.718 -1.569 -0.816) 3.243 14.653 ( -6.897 -3.982 5.120) 9.468 15.108 ( 8.633 4.984 -7.201) 12.297 ======================= Grid point 1236 (382/489) ======================= q-point: ( 0.35 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 19.088 11.021 10.701) 24.502 1.820 ( 10.178 5.876 24.651) 27.310 2.615 ( 31.313 18.078 7.367) 36.899 3.089 ( 3.050 1.761 -3.358) 4.867 3.601 ( 20.823 12.022 2.077) 24.134 5.966 ( -7.942 -4.585 -6.121) 11.026 7.879 ( 9.352 5.399 0.955) 10.841 9.722 ( 9.479 5.473 -3.640) 11.535 10.685 ( 5.729 3.308 -24.112) 25.003 11.183 ( -4.549 -2.627 -0.798) 5.314 14.466 ( -11.013 -6.358 10.085) 16.230 15.210 ( 2.123 1.226 -12.551) 12.788 ======================= Grid point 1237 (383/489) ======================= q-point: ( 0.41 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 19.831 11.450 7.201) 24.005 2.088 ( 8.492 4.903 19.327) 21.672 3.162 ( 4.114 2.375 -3.225) 5.742 3.400 ( 33.717 19.466 -3.098) 39.056 4.129 ( 22.776 13.150 5.640) 26.897 5.801 ( -4.801 -2.772 -6.292) 8.386 8.142 ( 12.891 7.443 0.804) 14.907 9.458 ( -19.672 -11.358 5.793) 23.443 11.019 ( 18.954 10.943 -27.157) 34.879 11.067 ( -5.008 -2.891 -0.735) 5.829 14.205 ( -15.215 -8.784 13.966) 22.443 15.148 ( -2.645 -1.527 -13.783) 14.117 ======================= Grid point 1238 (384/489) ======================= q-point: ( 0.47 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 10.882 6.283 11.382) 16.954 2.463 ( 18.098 10.449 4.916) 21.468 3.254 ( 4.516 2.607 -3.034) 6.033 4.096 ( 26.837 15.495 -8.508) 32.136 4.656 ( 20.251 11.692 7.234) 24.477 5.710 ( -1.276 -0.737 -3.265) 3.582 8.470 ( 14.882 8.592 0.598) 17.194 9.081 ( -12.731 -7.350 3.439) 15.097 10.958 ( -3.941 -2.275 -0.572) 4.586 11.228 ( 5.660 3.268 -20.793) 21.796 13.815 ( -22.620 -13.060 11.810) 28.666 15.070 ( 0.187 0.108 -8.852) 8.854 ======================= Grid point 1239 (385/489) ======================= q-point: ( 0.53 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( 11.654 6.728 4.536) 14.201 2.862 ( 15.036 8.681 3.365) 17.685 3.347 ( 4.244 2.450 -2.792) 5.640 4.542 ( 13.807 7.972 -12.394) 20.194 5.092 ( 15.162 8.754 6.675) 18.737 5.756 ( 5.917 3.416 2.399) 7.242 8.816 ( 14.463 8.350 0.248) 16.702 8.916 ( -2.025 -1.169 1.799) 2.950 10.890 ( -1.719 -0.993 -0.219) 1.997 11.186 ( -3.088 -1.783 -16.485) 16.866 13.234 ( -29.252 -16.889 6.315) 34.363 15.113 ( 4.529 2.615 -1.638) 5.480 ======================= Grid point 1240 (386/489) ======================= q-point: ( 0.59 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( 9.833 5.677 -1.303) 11.428 3.176 ( 11.279 6.512 2.187) 13.206 3.428 ( 3.391 1.958 -2.403) 4.595 4.681 ( 3.073 1.774 -11.961) 12.477 5.397 ( 9.752 5.630 4.632) 12.175 5.977 ( 10.550 6.091 6.181) 13.660 8.991 ( 7.821 4.515 0.111) 9.032 9.122 ( 11.578 6.684 -0.314) 13.372 10.878 ( 0.596 0.344 0.373) 0.782 11.026 ( -6.015 -3.473 -12.484) 14.286 12.543 ( -30.665 -17.704 3.218) 35.554 15.240 ( 5.724 3.305 2.442) 7.047 ======================= Grid point 1241 (387/489) ======================= q-point: ( 0.65 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.087 ( 6.121 3.534 -6.125) 9.352 3.392 ( 6.672 3.852 0.529) 7.722 3.490 ( 2.621 1.513 -1.172) 3.245 4.680 ( 0.843 0.486 -8.711) 8.766 5.579 ( 5.049 2.915 2.393) 6.302 6.221 ( 7.705 4.448 7.426) 11.589 9.255 ( 14.680 8.475 -2.650) 17.157 9.341 ( 7.366 4.253 -0.955) 8.559 10.844 ( -7.059 -4.076 -7.690) 11.206 10.908 ( 1.464 0.845 1.046) 1.988 11.891 ( -24.786 -14.310 2.629) 28.741 15.372 ( 4.514 2.606 3.841) 6.475 ======================= Grid point 1242 (388/489) ======================= q-point: ( 0.71 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.153 ( 1.745 1.007 -8.888) 9.114 3.464 ( 0.249 0.144 -1.893) 1.914 3.564 ( 3.240 1.871 1.080) 3.895 4.698 ( 3.174 1.833 -6.533) 7.491 5.650 ( 0.732 0.422 1.046) 1.345 6.354 ( 1.290 0.745 7.876) 8.016 9.457 ( 3.037 1.754 -1.369) 3.765 9.615 ( 16.377 9.455 -7.261) 20.256 10.624 ( -10.731 -6.196 -0.722) 12.412 10.936 ( 0.229 0.132 1.483) 1.507 11.494 ( -8.744 -5.048 1.997) 10.292 15.466 ( 2.436 1.406 4.139) 5.004 ======================= Grid point 1243 (389/489) ======================= q-point: (-0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( -2.236 -1.291 -8.678) 9.054 3.422 ( -3.325 -1.920 -1.288) 4.050 3.615 ( 0.830 0.479 0.511) 1.086 4.788 ( 6.302 3.639 -7.353) 10.345 5.623 ( -3.318 -1.916 1.454) 4.098 6.322 ( -6.285 -3.628 8.058) 10.844 9.473 ( -1.423 -0.821 -1.343) 2.122 9.820 ( -1.231 -0.711 -7.646) 7.777 10.497 ( 5.464 3.155 -0.231) 6.314 10.922 ( -1.770 -1.022 1.461) 2.513 11.483 ( 5.795 3.346 2.280) 7.069 15.515 ( 0.839 0.484 4.230) 4.340 ======================= Grid point 1252 (390/489) ======================= q-point: ( 0.29 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -0.000 16.690 14.111) 21.856 1.361 ( -0.000 29.921 15.566) 33.728 2.147 ( -0.000 9.327 32.016) 33.347 3.054 ( 0.000 2.538 -3.522) 4.341 3.162 ( 0.000 13.426 -1.768) 13.542 6.241 ( 0.000 -20.585 -4.910) 21.162 7.690 ( -0.000 5.033 1.110) 5.154 8.750 ( 0.000 68.402 -20.864) 71.513 11.055 ( 0.000 -18.746 -3.981) 19.165 11.271 ( 0.000 -3.112 -0.807) 3.215 14.655 ( -0.000 -9.284 5.284) 10.683 15.082 ( 0.000 8.723 -6.342) 10.785 ======================= Grid point 1253 (391/489) ======================= q-point: ( 0.35 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 7.291 20.449 10.899) 24.292 1.822 ( 9.750 17.422 20.694) 28.755 2.464 ( 12.996 21.679 13.327) 28.574 3.080 ( 0.890 4.164 -3.408) 5.454 3.443 ( 13.180 17.045 1.462) 21.596 6.000 ( -5.576 -9.756 -6.100) 12.786 7.815 ( 5.890 7.704 1.073) 9.757 9.516 ( 21.248 30.795 -11.443) 39.125 10.726 ( -11.585 -6.943 -14.590) 19.882 11.214 ( -2.152 -3.478 -1.105) 4.237 14.527 ( -4.180 -12.540 8.807) 15.883 15.165 ( 2.098 5.201 -10.713) 12.092 ======================= Grid point 1254 (392/489) ======================= q-point: ( 0.41 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 12.612 20.347 7.840) 25.190 2.114 ( 4.104 8.118 21.457) 23.305 3.097 ( 25.670 27.193 -2.056) 37.452 3.145 ( 2.022 5.779 -3.199) 6.908 3.922 ( 19.456 17.297 5.075) 26.523 5.823 ( -4.232 -4.924 -6.629) 9.279 8.046 ( 9.388 10.880 1.005) 14.406 9.634 ( -11.995 -14.402 7.178) 20.071 10.756 ( 13.342 16.368 -26.394) 33.802 11.130 ( -3.557 -1.220 -2.679) 4.617 14.321 ( -7.635 -15.181 12.647) 21.183 15.153 ( -2.616 1.589 -13.492) 13.835 ======================= Grid point 1255 (393/489) ======================= q-point: ( 0.47 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 7.051 9.353 12.439) 17.086 2.366 ( 12.160 17.996 7.544) 22.992 3.238 ( 2.279 6.952 -2.887) 7.865 3.791 ( 25.718 21.790 -7.331) 34.496 4.455 ( 20.019 15.130 6.688) 25.969 5.712 ( -2.007 -2.130 -4.757) 5.585 8.357 ( 11.590 13.658 0.980) 17.940 9.241 ( -14.809 -12.450 4.819) 19.938 10.963 ( 2.575 -1.432 -5.649) 6.371 11.109 ( 3.465 6.410 -16.393) 17.940 14.013 ( -13.916 -18.490 12.256) 26.186 15.067 ( -2.736 1.434 -10.899) 11.328 ======================= Grid point 1256 (394/489) ======================= q-point: ( 0.53 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 8.324 8.124 7.332) 13.749 2.783 ( 11.429 17.949 4.097) 21.670 3.340 ( 1.888 7.709 -2.592) 8.349 4.328 ( 17.892 12.980 -10.471) 24.459 4.933 ( 16.639 11.360 6.419) 21.145 5.704 ( 3.222 1.661 -0.400) 3.646 8.712 ( 11.660 15.106 0.983) 19.108 8.972 ( -6.674 -4.947 3.054) 8.851 10.922 ( -2.312 -0.454 -0.630) 2.439 11.131 ( 0.743 -1.558 -16.607) 16.696 13.526 ( -22.756 -20.635 6.852) 31.474 15.057 ( 2.630 1.668 -3.629) 4.783 ======================= Grid point 1257 (395/489) ======================= q-point: ( 0.59 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( 8.568 6.714 1.444) 10.980 3.137 ( 8.049 16.474 2.597) 18.518 3.437 ( 0.925 8.061 -2.137) 8.390 4.588 ( 6.762 4.475 -11.450) 14.030 5.290 ( 11.551 7.031 5.162) 14.474 5.866 ( 9.996 5.100 3.920) 11.887 8.926 ( 3.258 1.360 2.193) 4.156 9.061 ( 8.951 15.499 0.415) 17.903 10.889 ( -1.555 0.523 -0.762) 1.809 11.026 ( -2.786 -3.937 -12.591) 13.483 12.884 ( -28.182 -19.777 2.631) 34.529 15.151 ( 6.621 0.269 1.656) 6.830 ======================= Grid point 1258 (396/489) ======================= q-point: ( 0.65 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( 6.570 4.303 -3.760) 8.707 3.402 ( 3.567 14.456 0.874) 14.915 3.519 ( -0.266 8.407 -1.045) 8.475 4.640 ( 1.492 1.126 -9.128) 9.318 5.512 ( 6.874 3.090 3.231) 8.199 6.122 ( 10.709 4.120 5.959) 12.929 9.095 ( 11.045 5.766 0.196) 12.461 9.334 ( 4.666 14.476 -0.054) 15.210 10.830 ( -1.489 -5.665 -6.320) 8.616 10.943 ( -2.540 2.444 -2.552) 4.352 12.216 ( -27.469 -15.317 1.363) 31.480 15.280 ( 7.546 -1.803 3.680) 8.587 ======================= Grid point 1259 (397/489) ======================= q-point: ( 0.71 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( 3.234 1.694 -7.425) 8.274 3.530 ( -2.448 9.589 -2.249) 10.149 3.612 ( -0.500 11.016 1.688) 11.156 4.650 ( 1.856 1.341 -6.656) 7.039 5.619 ( 3.147 -0.338 1.613) 3.553 6.319 ( 6.115 0.568 6.863) 9.209 9.397 ( 15.533 7.416 -3.497) 17.564 9.505 ( -0.377 12.216 -0.646) 12.239 10.718 ( -4.639 -3.502 -4.403) 7.292 10.912 ( -1.481 -2.487 1.629) 3.321 11.701 ( -18.208 -5.062 1.166) 18.934 15.388 ( 6.515 -3.669 4.006) 8.482 ======================= Grid point 1260 (398/489) ======================= q-point: (-0.24 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.099 ( -0.268 -0.546 -8.295) 8.317 3.533 ( -5.971 7.565 -2.100) 9.863 3.693 ( -3.352 10.153 1.221) 10.761 4.703 ( 4.461 2.541 -6.461) 8.252 5.631 ( -0.163 -3.193 1.336) 3.466 6.374 ( -0.860 -3.469 7.274) 8.104 9.557 ( -4.284 7.139 -1.370) 8.438 9.704 ( 11.315 4.948 -7.648) 14.526 10.553 ( -8.544 -0.216 1.729) 8.720 10.893 ( 3.097 -4.103 1.419) 5.333 11.519 ( -4.261 5.058 0.816) 6.664 15.457 ( 4.918 -4.805 3.826) 7.868 ======================= Grid point 1270 (399/489) ======================= q-point: ( 0.35 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -0.000 20.778 8.507) 22.452 2.004 ( -0.000 18.842 20.441) 27.800 2.643 ( -0.000 28.750 7.391) 29.685 3.099 ( 0.000 4.123 -3.675) 5.523 3.538 ( -0.000 22.802 3.443) 23.060 5.924 ( 0.000 -9.405 -6.457) 11.408 7.856 ( -0.000 10.717 1.207) 10.785 9.610 ( 0.000 19.417 -1.651) 19.487 10.729 ( 0.000 1.000 -22.883) 22.905 11.178 ( 0.000 -5.455 -0.737) 5.505 14.442 ( -0.000 -16.700 10.490) 19.721 15.175 ( 0.000 6.079 -11.267) 12.802 ======================= Grid point 1271 (400/489) ======================= q-point: ( 0.41 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 7.606 21.526 6.519) 23.743 2.230 ( 1.104 10.286 19.814) 22.352 3.074 ( 11.359 33.787 -3.013) 35.773 3.157 ( 2.475 5.622 -3.491) 7.065 3.883 ( 9.715 23.746 6.239) 26.404 5.803 ( -2.147 -5.915 -6.425) 8.993 8.036 ( 5.999 13.440 1.194) 14.767 9.649 ( -4.031 -12.908 8.209) 15.819 10.731 ( 1.218 17.161 -26.711) 31.772 11.126 ( 0.279 -3.895 -2.550) 4.663 14.271 ( -2.820 -19.820 12.946) 23.841 15.179 ( -1.747 4.322 -13.097) 13.902 ======================= Grid point 1272 (401/489) ======================= q-point: ( 0.47 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 8.232 17.938 6.682) 20.837 2.408 ( 4.930 12.348 12.540) 18.277 3.264 ( 3.110 7.701 -3.006) 8.833 3.634 ( 17.498 27.824 -7.071) 33.621 4.349 ( 14.332 21.118 6.940) 26.449 5.705 ( -1.702 -2.744 -4.959) 5.917 8.330 ( 9.762 16.505 1.298) 19.220 9.352 ( -11.869 -15.467 4.987) 20.123 10.865 ( 4.920 6.082 -12.826) 15.024 11.097 ( 0.160 0.700 -8.605) 8.635 14.019 ( -6.760 -22.945 13.150) 27.297 15.119 ( -4.299 3.388 -12.364) 13.522 ======================= Grid point 1273 (402/489) ======================= q-point: ( 0.53 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 4.478 8.705 8.013) 12.650 2.811 ( 10.891 21.369 4.326) 24.371 3.392 ( 2.353 9.780 -2.631) 10.398 4.145 ( 16.525 17.624 -8.322) 25.552 4.812 ( 14.247 16.183 5.519) 22.256 5.675 ( 1.245 0.920 -1.713) 2.309 8.698 ( 10.890 18.999 1.616) 21.958 9.055 ( -8.717 -7.785 2.711) 11.998 10.923 ( 1.994 0.321 -3.302) 3.870 11.062 ( -0.757 -1.811 -12.628) 12.779 13.640 ( -13.691 -24.772 9.076) 29.723 15.054 ( -2.128 2.385 -7.151) 7.833 ======================= Grid point 1274 (403/489) ======================= q-point: ( 0.59 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( 5.914 7.402 3.188) 9.996 3.206 ( 8.220 21.276 3.068) 23.014 3.520 ( 0.924 11.348 -2.022) 11.564 4.473 ( 9.390 7.712 -9.121) 15.193 5.184 ( 11.423 9.996 4.164) 15.739 5.773 ( 6.870 4.419 1.954) 8.399 8.920 ( -0.899 -0.365 2.756) 2.922 9.095 ( 8.989 20.280 1.193) 22.215 10.926 ( -3.502 -1.959 -3.903) 5.598 10.971 ( 1.308 -1.570 -8.821) 9.055 13.111 ( -20.952 -23.250 3.763) 31.523 15.058 ( 2.954 -0.611 -1.093) 3.208 ======================= Grid point 1275 (404/489) ======================= q-point: ( 0.65 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.931 ( 5.411 5.120 -1.282) 7.559 3.531 ( 3.577 20.870 1.186) 21.208 3.637 ( -0.607 12.499 -0.505) 12.524 4.592 ( 2.952 2.406 -8.240) 9.077 5.431 ( 7.474 4.288 3.086) 9.153 5.987 ( 10.588 3.808 4.091) 11.972 8.997 ( 6.450 4.497 1.894) 8.088 9.435 ( 5.256 20.425 1.301) 21.130 10.778 ( -2.810 -7.721 -7.353) 11.026 11.003 ( -0.555 5.323 -2.134) 5.762 12.507 ( -24.041 -18.198 0.662) 30.159 15.124 ( 6.813 -4.417 2.298) 8.439 ======================= Grid point 1276 (405/489) ======================= q-point: ( 0.71 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.038 ( 3.397 2.735 -4.876) 6.542 3.702 ( -3.496 14.595 -2.881) 15.281 3.791 ( -1.005 18.522 3.234) 18.829 4.616 ( 1.308 1.359 -6.362) 6.636 5.555 ( 3.980 -0.506 1.621) 4.327 6.203 ( 9.395 -0.021 5.382) 10.827 9.223 ( 11.728 6.959 -0.185) 13.639 9.676 ( -0.534 17.967 0.794) 17.993 10.669 ( 1.209 -5.883 -4.660) 7.602 10.999 ( -6.085 3.401 -0.091) 6.972 11.974 ( -19.796 -8.610 -0.588) 21.595 15.207 ( 8.377 -7.521 3.304) 11.732 ======================= Grid point 1277 (406/489) ======================= q-point: ( 0.76 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( 0.689 0.921 -6.512) 6.613 3.744 ( -6.597 13.092 -2.545) 14.880 3.929 ( -5.711 18.333 2.431) 19.355 4.645 ( 2.613 1.862 -5.608) 6.461 5.581 ( 1.639 -4.347 0.993) 4.751 6.325 ( 4.564 -4.173 6.057) 8.656 9.497 ( 11.447 4.744 -4.045) 13.035 9.778 ( -4.984 13.009 0.396) 13.937 10.692 ( 3.550 2.859 -1.116) 4.692 10.836 ( -10.453 -4.044 2.048) 11.393 11.690 ( -9.579 2.761 -1.277) 10.050 15.279 ( 8.264 -9.256 3.156) 12.803 ======================= Grid point 1288 (407/489) ======================= q-point: ( 0.41 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -0.000 20.768 4.776) 21.310 2.381 ( -0.000 8.974 16.195) 18.515 3.168 ( 0.000 5.027 -3.637) 6.205 3.323 ( 0.000 35.434 -6.007) 35.940 4.090 ( -0.000 27.715 7.994) 28.845 5.746 ( 0.000 -4.630 -5.729) 7.365 8.129 ( -0.000 15.502 1.051) 15.538 9.571 ( -0.000 -16.094 7.624) 17.808 10.818 ( 0.000 16.088 -25.857) 30.453 11.054 ( 0.000 -6.166 -0.490) 6.185 14.121 ( -0.000 -23.116 14.000) 27.025 15.206 ( 0.000 5.429 -13.227) 14.298 ======================= Grid point 1289 (408/489) ======================= q-point: ( 0.47 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 8.031 19.847 3.693) 21.727 2.509 ( 0.479 8.285 11.059) 13.826 3.252 ( 4.393 5.951 -3.339) 8.115 3.698 ( 6.748 29.897 -7.064) 31.452 4.446 ( 5.397 27.075 7.565) 28.626 5.687 ( -0.797 -1.862 -4.207) 4.669 8.358 ( 6.719 17.503 0.967) 18.773 9.370 ( -6.268 -15.031 3.382) 16.633 10.857 ( -0.803 6.313 -12.746) 14.246 11.034 ( 3.036 -2.752 -5.760) 7.069 13.895 ( -2.822 -26.132 13.739) 29.658 15.192 ( -3.209 5.320 -12.640) 14.084 ======================= Grid point 1290 (409/489) ======================= q-point: ( 0.53 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 1.918 7.907 6.315) 10.299 2.829 ( 12.286 19.684 3.528) 23.471 3.405 ( 5.844 8.037 -3.080) 10.404 4.080 ( 9.853 20.075 -6.095) 23.178 4.832 ( 7.253 22.292 4.695) 23.908 5.670 ( 0.300 1.934 -1.620) 2.541 8.707 ( 11.030 19.581 1.209) 22.506 9.124 ( -7.676 -8.390 0.483) 11.382 10.872 ( 1.972 1.078 -4.806) 5.305 11.015 ( 0.204 -3.786 -7.492) 8.397 13.579 ( -6.860 -28.180 10.979) 31.011 15.128 ( -5.134 4.263 -9.686) 11.761 ======================= Grid point 1291 (410/489) ======================= q-point: ( 0.59 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.765 ( 3.655 6.943 3.184) 8.468 3.254 ( 11.996 20.027 3.111) 23.551 3.583 ( 4.635 10.720 -2.777) 12.005 4.378 ( 8.530 9.980 -5.338) 14.173 5.152 ( 6.834 14.517 2.170) 16.191 5.738 ( 3.289 5.591 1.079) 6.576 8.959 ( -3.204 -0.625 0.953) 3.400 9.134 ( 11.212 20.712 0.837) 23.567 10.882 ( -0.582 -5.883 -8.402) 10.273 10.956 ( 1.085 1.587 -0.910) 2.127 13.160 ( -12.190 -27.352 6.358) 30.613 15.055 ( -3.446 1.274 -4.863) 6.095 ======================= Grid point 1292 (411/489) ======================= q-point: ( 0.65 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( 3.996 5.198 0.315) 6.564 3.653 ( 8.814 20.834 2.814) 22.797 3.755 ( 2.098 13.054 -2.171) 13.399 4.537 ( 4.218 3.672 -5.324) 7.721 5.376 ( 5.741 6.924 1.883) 9.190 5.886 ( 6.332 4.916 2.256) 8.328 8.972 ( 2.479 4.501 1.241) 5.286 9.534 ( 8.789 21.200 1.530) 23.001 10.727 ( -3.577 -8.956 -6.413) 11.582 11.046 ( 2.619 7.038 -1.089) 7.588 12.665 ( -16.642 -22.576 2.078) 28.124 15.011 ( 0.775 -3.473 -0.583) 3.605 ======================= Grid point 1293 (412/489) ======================= q-point: ( 0.71 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.002 ( 2.971 3.316 -2.296) 5.009 3.896 ( -1.439 15.317 -2.523) 15.590 3.988 ( 3.945 21.047 3.671) 21.726 4.589 ( 1.426 1.700 -5.080) 5.543 5.496 ( 3.018 0.799 1.126) 3.319 6.051 ( 8.389 -0.114 3.381) 9.045 9.132 ( 7.681 7.886 1.083) 11.062 9.846 ( 3.135 17.994 1.468) 18.324 10.576 ( -0.888 -8.265 -4.047) 9.245 11.143 ( -2.005 9.429 -0.561) 9.656 12.183 ( -16.596 -13.639 -0.855) 21.498 15.007 ( 5.129 -8.236 1.724) 9.855 ======================= Grid point 1294 (413/489) ======================= q-point: ( 0.76 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.054 ( 1.189 1.979 -4.002) 4.621 3.988 ( -5.098 15.552 -2.235) 16.518 4.228 ( -2.724 21.763 3.747) 22.251 4.611 ( 1.430 1.682 -5.024) 5.488 5.510 ( 0.914 -4.456 0.093) 4.550 6.180 ( 7.768 -5.501 4.531) 10.543 9.371 ( 9.320 7.877 -0.712) 12.224 9.980 ( -4.290 9.755 0.616) 10.674 10.550 ( 6.743 -4.726 -0.868) 8.280 11.117 ( -12.318 9.936 1.307) 15.879 11.863 ( -9.861 -1.770 -2.950) 10.444 15.031 ( 8.157 -11.364 2.256) 14.169 ======================= Grid point 1306 (414/489) ======================= q-point: ( 0.47 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( -0.000 18.806 2.602) 18.985 2.610 ( -0.000 7.039 6.862) 9.830 3.251 ( 0.000 5.270 -3.296) 6.216 3.910 ( 0.000 25.966 -6.033) 26.658 4.711 ( -0.000 28.252 6.384) 28.964 5.676 ( 0.000 0.800 -2.679) 2.796 8.474 ( -0.000 17.872 0.470) 17.879 9.291 ( 0.000 -12.025 -0.194) 12.027 10.894 ( 0.000 3.489 -12.512) 12.989 10.939 ( 0.000 -4.800 -0.011) 4.800 13.686 ( -0.000 -28.826 13.102) 31.664 15.243 ( 0.000 6.336 -11.963) 13.538 ======================= Grid point 1307 (415/489) ======================= q-point: ( 0.53 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( 0.467 6.723 3.510) 7.598 2.827 ( 9.134 17.299 2.359) 19.704 3.350 ( 6.042 5.821 -3.085) 8.939 4.151 ( 3.325 18.447 -3.938) 19.154 5.012 ( 1.593 24.173 3.129) 24.427 5.698 ( 0.036 5.151 -0.531) 5.178 8.728 ( 7.975 18.316 0.286) 19.979 9.148 ( -4.156 -6.622 -3.138) 8.424 10.854 ( -0.626 -0.505 -3.208) 3.307 10.931 ( 2.072 -4.234 -3.373) 5.796 13.399 ( -2.863 -30.759 10.901) 32.759 15.234 ( -4.116 6.016 -10.149) 12.495 ======================= Grid point 1308 (416/489) ======================= q-point: ( 0.59 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 2.101 5.935 2.045) 6.620 3.212 ( 14.038 16.410 2.485) 21.738 3.544 ( 9.044 7.747 -3.236) 12.340 4.356 ( 4.451 10.253 -1.898) 11.338 5.247 ( 1.330 16.233 0.127) 16.288 5.782 ( 0.790 9.531 1.155) 9.633 9.013 ( -2.559 1.180 -2.315) 3.647 9.121 ( 12.002 17.527 -0.737) 21.255 10.819 ( -1.023 -5.610 -3.186) 6.532 10.927 ( 2.714 0.364 -0.269) 2.751 13.043 ( -5.851 -30.593 7.625) 32.067 15.159 ( -6.909 4.085 -7.162) 10.757 ======================= Grid point 1309 (417/489) ======================= q-point: ( 0.65 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 2.933 4.755 1.086) 5.691 3.635 ( 14.578 15.053 3.467) 21.240 3.785 ( 8.501 11.859 -4.024) 15.136 4.494 ( 3.684 4.170 -1.026) 5.658 5.394 ( 1.596 8.572 0.044) 8.719 5.899 ( 0.761 9.060 0.878) 9.135 9.000 ( 0.042 5.229 -1.545) 5.453 9.546 ( 13.325 18.743 0.255) 22.998 10.690 ( -3.862 -8.181 -2.705) 9.442 11.035 ( 5.646 5.427 0.059) 7.832 12.643 ( -8.637 -26.912 4.191) 28.573 15.043 ( -6.739 0.357 -3.694) 7.693 ======================= Grid point 1310 (418/489) ======================= q-point: ( 0.71 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( 2.517 3.398 -0.092) 4.230 3.984 ( 7.880 10.919 1.302) 13.528 4.079 ( 9.212 19.550 -1.162) 21.643 4.567 ( 2.007 1.732 -1.472) 3.032 5.478 ( 1.365 2.364 0.685) 2.814 5.980 ( 1.156 3.192 0.625) 3.452 9.113 ( 4.661 9.021 -0.070) 10.155 9.918 ( 8.557 15.308 0.615) 17.549 10.525 ( -4.213 -8.080 -1.912) 9.310 11.213 ( 5.526 9.501 -0.348) 10.997 12.253 ( -9.941 -18.815 1.217) 21.315 14.922 ( -3.521 -4.607 -0.767) 5.849 ======================= Grid point 1311 (419/489) ======================= q-point: ( 0.76 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( 1.403 2.444 -1.327) 3.115 4.181 ( 0.868 13.853 -1.117) 13.925 4.422 ( 6.415 19.301 3.003) 20.559 4.599 ( 0.559 1.970 -2.956) 3.596 5.480 ( -1.386 -2.340 -0.542) 2.773 6.017 ( 4.061 -5.072 2.046) 6.812 9.320 ( 7.146 10.214 0.217) 12.468 10.118 ( -0.622 8.031 0.214) 8.058 10.404 ( 1.482 -7.579 -0.463) 7.736 11.374 ( -1.298 12.797 1.064) 12.906 11.964 ( -7.358 -6.940 -1.984) 10.307 14.834 ( 1.592 -9.175 0.886) 9.355 ======================= Grid point 1324 (420/489) ======================= q-point: ( 0.53 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( -0.000 5.591 1.517) 5.793 2.912 ( -0.000 15.595 1.570) 15.674 3.336 ( 0.000 5.030 -2.655) 5.688 4.279 ( 0.000 13.571 -1.667) 13.673 5.235 ( -0.000 19.970 0.437) 19.975 5.775 ( -0.000 10.369 0.869) 10.406 8.828 ( 0.000 16.726 -0.256) 16.728 9.119 ( 0.000 -2.934 -6.170) 6.832 10.835 ( 0.000 -3.892 -1.328) 4.112 10.873 ( -0.000 -1.673 0.475) 1.739 13.137 ( -0.000 -32.512 9.060) 33.751 15.307 ( 0.000 6.657 -9.202) 11.358 ======================= Grid point 1325 (421/489) ======================= q-point: ( 0.59 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( 0.821 5.030 1.225) 5.241 3.153 ( 9.715 13.609 1.703) 16.807 3.445 ( 7.405 5.434 -2.640) 9.556 4.400 ( 1.399 8.144 0.436) 8.275 5.394 ( -0.651 13.125 -1.512) 13.228 5.905 ( -0.319 14.331 1.058) 14.374 9.051 ( 1.907 7.529 -3.236) 8.414 9.092 ( 5.575 10.038 -3.744) 12.077 10.781 ( -1.259 -5.480 1.713) 5.878 10.887 ( 2.223 0.680 0.687) 2.424 12.814 ( -2.049 -32.508 6.476) 33.210 15.299 ( -5.205 5.879 -7.441) 10.818 ======================= Grid point 1326 (422/489) ======================= q-point: ( 0.65 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( 1.956 4.288 1.854) 5.064 3.507 ( 15.061 10.913 2.734) 18.799 3.678 ( 12.667 8.026 -3.646) 15.432 4.491 ( 1.706 3.983 1.869) 4.719 5.475 ( -1.220 7.671 -1.310) 7.877 6.030 ( -2.014 13.102 -0.409) 13.262 9.059 ( -0.990 6.683 -4.267) 7.990 9.457 ( 15.503 14.788 -0.889) 21.443 10.684 ( -3.807 -5.902 1.807) 7.252 10.975 ( 5.523 2.730 1.037) 6.248 12.471 ( -3.104 -29.400 4.174) 29.857 15.199 ( -9.338 3.760 -5.225) 11.342 ======================= Grid point 1327 (423/489) ======================= q-point: ( 0.71 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.981 ( 2.055 3.283 1.995) 4.357 3.871 ( 14.735 7.051 2.768) 16.568 4.025 ( 15.622 13.515 -3.909) 21.023 4.553 ( 1.433 1.702 2.486) 3.336 5.502 ( -1.327 2.586 -0.101) 2.908 6.076 ( -4.706 8.113 -1.876) 9.565 9.146 ( 2.291 10.111 -1.784) 10.520 9.857 ( 13.810 11.636 -0.752) 18.074 10.551 ( -5.869 -4.417 1.092) 7.426 11.139 ( 9.610 3.505 0.230) 10.231 12.165 ( -3.124 -21.738 2.799) 22.139 15.029 ( -10.812 0.514 -2.902) 11.206 ======================= Grid point 1342 (424/489) ======================= q-point: ( 0.59 0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( -0.000 4.383 1.841) 4.754 3.193 ( -0.000 11.304 1.385) 11.389 3.418 ( 0.000 4.622 -1.984) 5.029 4.460 ( -0.000 5.213 2.205) 5.660 5.507 ( 0.000 9.234 -2.246) 9.503 6.066 ( -0.000 15.799 -0.128) 15.799 9.100 ( 0.000 5.377 -7.017) 8.840 9.124 ( 0.000 12.664 -0.418) 12.671 10.757 ( -0.000 -4.681 5.255) 7.037 10.877 ( -0.000 1.541 0.421) 1.597 12.517 ( -0.000 -32.652 4.117) 32.910 15.387 ( 0.000 6.095 -6.639) 9.013 ======================= Grid point 1343 (425/489) ======================= q-point: ( 0.65 0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( 0.842 3.909 3.422) 5.263 3.387 ( 9.728 8.323 2.037) 12.964 3.537 ( 8.834 5.379 -2.397) 10.616 4.516 ( 0.629 3.041 3.431) 4.628 5.565 ( -1.397 6.121 -1.999) 6.589 6.198 ( -1.786 13.350 -1.963) 13.611 9.142 ( -0.989 9.170 -4.574) 10.295 9.339 ( 11.033 10.711 -0.584) 15.388 10.707 ( -2.654 -3.819 5.259) 7.020 10.923 ( 2.820 1.699 0.603) 3.347 12.207 ( -0.098 -29.702 2.100) 29.776 15.370 ( -6.218 5.057 -5.377) 9.651 ======================= Grid point 1344 (426/489) ======================= q-point: (-0.29 -0.41 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( 1.323 3.072 4.379) 5.510 3.676 ( 14.381 4.514 2.702) 15.313 3.822 ( 16.968 7.915 -3.218) 18.998 4.565 ( 0.715 2.027 4.176) 4.697 5.568 ( -2.901 2.761 -1.101) 4.153 6.246 ( -4.854 8.904 -3.638) 10.774 9.229 ( 0.067 11.914 -1.440) 12.001 9.684 ( 16.209 8.230 -0.865) 18.199 10.631 ( -4.729 -0.782 3.344) 5.844 10.997 ( 5.955 -2.558 0.241) 6.486 11.963 ( 1.740 -21.380 1.708) 21.518 15.242 ( -11.370 3.289 -3.873) 12.453 ======================= Grid point 1360 (427/489) ======================= q-point: (-0.35 -0.35 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( -0.000 3.443 5.597) 6.571 3.376 ( -0.000 5.662 1.896) 5.971 3.498 ( 0.000 4.631 -1.726) 4.942 4.551 ( -0.000 2.400 4.441) 5.048 5.625 ( 0.000 4.374 -2.078) 4.843 6.328 ( 0.000 10.482 -3.644) 11.097 9.248 ( 0.000 12.222 -2.137) 12.408 9.328 ( -0.000 7.826 0.295) 7.831 10.711 ( -0.000 -4.085 6.082) 7.327 10.923 ( 0.000 2.403 -0.396) 2.436 11.917 ( 0.000 -27.013 -0.209) 27.013 15.460 ( 0.000 4.681 -4.931) 6.799 ======================= Grid point 1361 (428/489) ======================= q-point: (-0.29 -0.35 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.025 ( 0.403 2.550 6.939) 7.403 3.508 ( 9.171 2.591 2.329) 9.811 3.630 ( 10.327 4.934 -1.968) 11.614 4.593 ( 0.339 2.530 5.094) 5.698 5.635 ( -2.079 2.135 -1.607) 3.386 6.376 ( -2.641 6.200 -5.151) 8.483 9.373 ( -1.084 14.432 1.590) 14.560 9.501 ( 11.264 5.517 0.312) 12.546 10.678 ( -0.452 -3.425 4.038) 5.313 10.926 ( -1.208 -1.742 -1.192) 2.432 11.710 ( 3.790 -18.196 -0.609) 18.596 15.428 ( -6.750 3.561 -4.180) 8.702 ======================= Grid point 1378 (429/489) ======================= q-point: (-0.29 -0.29 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( -0.000 1.467 8.683) 8.806 3.446 ( -0.000 0.428 1.902) 1.950 3.575 ( 0.000 3.527 -1.178) 3.718 4.639 ( -0.000 3.673 5.853) 6.910 5.663 ( 0.000 0.571 -1.566) 1.667 6.422 ( 0.000 1.925 -6.455) 6.736 9.445 ( -0.000 3.334 1.197) 3.543 9.552 ( -0.000 15.935 5.880) 16.985 10.615 ( -0.000 -8.948 1.058) 9.010 10.949 ( 0.000 0.439 -1.317) 1.388 11.513 ( 0.000 -10.348 -1.876) 10.517 15.506 ( 0.000 2.697 -4.163) 4.961 ======================= Grid point 1541 (430/489) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -0.000 0.000 16.695) 16.695 1.058 ( -0.000 0.000 16.695) 16.695 2.195 ( -0.000 0.000 37.096) 37.096 3.012 ( 0.000 -0.000 -3.492) 3.492 3.012 ( 0.000 -0.000 -3.492) 3.492 6.648 ( 0.000 -0.000 -15.499) 15.499 7.649 ( -0.000 0.000 1.023) 1.023 7.649 ( -0.000 0.000 1.023) 1.023 11.300 ( 0.000 -0.000 -0.785) 0.785 11.300 ( 0.000 -0.000 -0.785) 0.785 14.756 ( -0.000 0.000 3.093) 3.093 14.965 ( 0.000 -0.000 -1.677) 1.677 ======================= Grid point 1542 (431/489) ======================= q-point: ( 0.35 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 11.347 6.551 14.109) 19.255 1.501 ( 25.743 14.863 13.697) 32.730 2.331 ( 3.561 2.056 27.242) 27.551 3.014 ( 1.487 0.858 -3.305) 3.724 3.183 ( 14.506 8.375 -0.790) 16.769 6.203 ( -17.166 -9.911 -6.844) 20.970 7.717 ( 5.067 2.926 0.828) 5.909 8.631 ( 58.585 33.824 -16.092) 69.536 11.002 ( -22.535 -13.011 -1.759) 26.081 11.264 ( -2.718 -1.570 -0.744) 3.226 14.703 ( -5.280 -3.048 5.320) 8.092 15.045 ( 5.624 3.247 -6.168) 8.956 ======================= Grid point 1543 (432/489) ======================= q-point: ( 0.41 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 17.518 10.114 9.963) 22.548 2.045 ( 11.780 6.801 22.388) 26.197 2.665 ( 24.224 13.986 2.900) 28.121 3.058 ( 3.089 1.784 -3.002) 4.663 3.628 ( 22.228 12.834 3.429) 25.895 5.903 ( -8.202 -4.736 -6.793) 11.655 7.887 ( 9.334 5.389 0.621) 10.796 9.687 ( 24.358 14.063 -3.618) 28.358 10.493 ( -8.233 -4.754 -16.312) 18.880 11.176 ( -4.548 -2.626 -0.702) 5.298 14.560 ( -9.015 -5.205 9.700) 14.229 15.096 ( 0.508 0.293 -11.605) 11.620 ======================= Grid point 1544 (433/489) ======================= q-point: ( 0.47 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 18.757 10.830 6.752) 22.687 2.272 ( 5.371 3.101 18.830) 19.825 3.134 ( 4.143 2.392 -2.649) 5.468 3.356 ( 31.976 18.461 -6.050) 37.415 4.183 ( 23.578 13.613 5.441) 27.764 5.743 ( -4.161 -2.403 -5.893) 7.604 8.148 ( 12.883 7.438 0.498) 14.884 9.522 ( -21.068 -12.163 7.561) 25.475 10.779 ( 21.496 12.411 -23.054) 33.876 11.060 ( -4.988 -2.880 -0.665) 5.798 14.327 ( -14.960 -8.637 11.275) 20.628 15.025 ( -1.753 -1.012 -11.599) 11.774 ======================= Grid point 1545 (434/489) ======================= q-point: ( 0.53 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 7.864 4.540 11.309) 14.503 2.508 ( 17.378 10.033 4.476) 20.559 3.228 ( 4.530 2.616 -2.290) 5.711 4.012 ( 25.398 14.664 -8.848) 30.633 4.720 ( 20.525 11.850 5.901) 24.424 5.680 ( 0.479 0.276 -2.856) 2.909 8.475 ( 14.836 8.566 0.446) 17.137 9.122 ( -13.666 -7.890 5.150) 16.599 10.953 ( -3.862 -2.230 -0.591) 4.498 11.046 ( 7.069 4.081 -17.238) 19.073 13.900 ( -24.255 -14.003 5.832) 28.608 15.008 ( 2.859 1.651 -3.884) 5.098 ======================= Grid point 1546 (435/489) ======================= q-point: ( 0.59 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 9.019 5.207 4.608) 11.388 2.892 ( 14.541 8.395 2.816) 17.025 3.324 ( 4.268 2.464 -1.907) 5.285 4.430 ( 13.012 7.513 -10.788) 18.497 5.151 ( 14.847 8.572 5.770) 18.089 5.773 ( 7.986 4.610 1.288) 9.310 8.819 ( 14.310 8.262 0.315) 16.527 8.945 ( -2.858 -1.650 4.110) 5.271 10.887 ( -1.529 -0.883 -0.368) 1.803 11.041 ( -2.009 -1.160 -13.849) 14.042 13.270 ( -30.098 -17.377 1.198) 34.775 15.117 ( 6.044 3.490 2.388) 7.377 ======================= Grid point 1547 (436/489) ======================= q-point: ( 0.65 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( 7.550 4.359 -1.424) 8.833 3.194 ( 10.827 6.251 1.359) 12.576 3.410 ( 3.545 2.047 -1.280) 4.288 4.577 ( 3.828 2.210 -9.595) 10.564 5.441 ( 8.902 5.140 4.418) 11.189 6.026 ( 11.688 6.748 4.138) 14.116 9.004 ( 6.609 3.816 2.678) 8.087 9.120 ( 11.302 6.525 -0.068) 13.050 10.881 ( 0.898 0.518 0.111) 1.043 10.915 ( -4.706 -2.717 -10.804) 12.094 12.558 ( -30.476 -17.595 0.184) 35.191 15.274 ( 6.104 3.524 4.614) 8.424 ======================= Grid point 1548 (437/489) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( 4.506 2.601 -6.280) 8.155 3.390 ( 5.583 3.224 -0.994) 6.523 3.487 ( 3.541 2.044 0.556) 4.126 4.605 ( 1.718 0.992 -6.920) 7.199 5.603 ( 4.297 2.481 2.539) 5.574 6.284 ( 8.322 4.805 5.649) 11.147 9.240 ( 12.743 7.357 -0.426) 14.721 9.333 ( 7.078 4.086 -0.666) 8.200 10.774 ( -5.025 -2.901 -7.043) 9.126 10.917 ( 1.764 1.019 0.769) 2.178 11.910 ( -24.338 -14.051 1.325) 28.134 15.414 ( 4.440 2.564 4.702) 6.957 ======================= Grid point 1559 (438/489) ======================= q-point: ( 0.35 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -0.000 14.630 11.348) 18.515 1.499 ( -0.000 30.031 13.241) 32.820 2.423 ( -0.000 2.672 25.278) 25.419 3.020 ( 0.000 2.493 -3.519) 4.313 3.153 ( -0.000 15.239 0.151) 15.240 6.181 ( 0.000 -19.415 -7.324) 20.750 7.701 ( -0.000 5.085 1.133) 5.210 8.590 ( 0.000 64.876 -13.298) 66.224 11.023 ( 0.000 -22.679 -2.760) 22.846 11.264 ( 0.000 -3.113 -0.726) 3.196 14.707 ( -0.000 -7.274 5.490) 9.114 15.025 ( 0.000 5.735 -5.618) 8.028 ======================= Grid point 1560 (439/489) ======================= q-point: ( 0.41 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 7.149 18.524 9.010) 21.804 2.001 ( 13.351 21.672 16.678) 30.431 2.570 ( 6.162 12.152 8.554) 16.087 3.048 ( 1.094 4.096 -3.081) 5.241 3.468 ( 13.851 18.645 3.608) 23.506 5.938 ( -5.716 -9.839 -6.684) 13.196 7.824 ( 5.731 7.846 0.898) 9.757 9.419 ( 25.681 40.964 -8.824) 49.147 10.613 ( -15.601 -17.822 -9.252) 25.429 11.205 ( -2.254 -3.760 -0.793) 4.455 14.611 ( -3.208 -10.407 8.714) 13.948 15.067 ( 0.660 3.243 -9.780) 10.325 ======================= Grid point 1561 (440/489) ======================= q-point: ( 0.47 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 12.174 19.142 6.593) 23.624 2.311 ( 2.728 5.658 19.738) 20.714 3.058 ( 23.858 25.380 -5.964) 35.340 3.118 ( 2.293 5.880 -2.391) 6.749 3.972 ( 19.782 18.260 5.091) 27.398 5.762 ( -3.989 -4.599 -5.956) 8.517 8.054 ( 9.265 11.115 0.668) 14.486 9.715 ( -12.521 -15.066 9.615) 21.822 10.516 ( 15.375 19.168 -23.609) 34.077 11.113 ( -3.854 -2.820 -1.188) 4.921 14.435 ( -7.211 -14.128 11.108) 19.365 15.031 ( -2.682 1.289 -11.956) 12.321 ======================= Grid point 1562 (441/489) ======================= q-point: ( 0.53 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 12.034 16.656 5.191) 21.194 2.469 ( 4.599 7.521 12.162) 15.021 3.214 ( 2.367 6.909 -2.017) 7.576 3.719 ( 24.805 21.142 -7.459) 33.435 4.512 ( 20.128 15.469 4.941) 25.862 5.671 ( -1.003 -1.231 -3.778) 4.098 8.365 ( 11.477 13.979 0.639) 18.098 9.292 ( -15.500 -13.677 5.690) 21.441 10.862 ( 10.901 6.202 -13.451) 18.391 11.022 ( -3.497 0.219 -3.542) 4.982 14.107 ( -15.828 -18.597 7.004) 25.405 14.983 ( 0.013 2.194 -6.324) 6.694 ======================= Grid point 1563 (442/489) ======================= q-point: ( 0.59 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 6.378 6.199 6.444) 10.983 2.818 ( 10.820 17.616 3.115) 20.907 3.321 ( 1.937 7.720 -1.433) 8.087 4.236 ( 16.772 12.653 -8.776) 22.769 4.987 ( 16.826 11.149 4.731) 20.731 5.700 ( 4.823 2.896 -0.530) 5.651 8.721 ( 11.496 15.571 0.731) 19.369 9.010 ( -6.955 -5.906 4.709) 10.268 10.915 ( -1.522 -0.318 -1.091) 1.899 10.992 ( 0.580 -0.788 -12.264) 12.303 13.564 ( -24.536 -20.528 1.151) 32.011 15.045 ( 5.186 1.820 1.080) 5.602 ======================= Grid point 1564 (443/489) ======================= q-point: ( 0.65 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( 6.454 5.269 1.048) 8.398 3.157 ( 7.551 16.204 1.413) 17.933 3.424 ( 0.985 8.260 -0.656) 8.345 4.492 ( 6.689 4.931 -8.723) 12.048 5.336 ( 11.312 6.383 4.403) 13.714 5.895 ( 11.281 5.947 2.146) 12.932 8.957 ( 2.625 0.655 4.237) 5.028 9.066 ( 8.641 15.731 0.626) 17.959 10.873 ( -2.258 -2.661 -3.709) 5.093 10.928 ( -1.223 0.165 -7.050) 7.157 12.891 ( -28.533 -19.497 -1.117) 34.576 15.181 ( 7.690 -0.075 4.417) 8.869 ======================= Grid point 1565 (444/489) ======================= q-point: ( 0.71 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( 4.606 3.437 -3.803) 6.892 3.402 ( 2.797 13.501 -0.898) 13.817 3.519 ( 0.142 9.406 1.030) 9.463 4.565 ( 2.096 1.772 -6.622) 7.168 5.542 ( 6.338 2.403 2.866) 7.360 6.170 ( 11.575 4.582 4.001) 13.076 9.108 ( 9.635 4.853 2.473) 11.068 9.335 ( 4.158 14.717 0.254) 15.295 10.765 ( -1.773 -5.257 -6.790) 8.768 10.930 ( -0.785 3.315 -0.832) 3.507 12.220 ( -26.840 -15.260 -0.563) 30.880 15.321 ( 7.744 -2.261 4.860) 9.418 ======================= Grid point 1577 (445/489) ======================= q-point: ( 0.41 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -0.000 19.396 6.096) 20.332 2.186 ( -0.000 22.483 17.830) 28.695 2.684 ( -0.000 18.999 1.228) 19.038 3.065 ( 0.000 4.069 -3.380) 5.290 3.584 ( -0.000 24.498 5.846) 25.186 5.862 ( 0.000 -9.336 -6.295) 11.260 7.867 ( -0.000 10.711 1.186) 10.776 9.600 ( -0.000 32.831 -0.383) 32.833 10.539 ( 0.000 -12.495 -17.015) 21.110 11.172 ( 0.000 -5.418 -0.581) 5.449 14.541 ( -0.000 -14.360 10.336) 17.693 15.072 ( 0.000 4.053 -10.454) 11.212 ======================= Grid point 1578 (446/489) ======================= q-point: ( 0.47 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 7.781 20.463 4.498) 22.350 2.408 ( 0.624 7.239 17.202) 18.674 3.027 ( 10.644 32.050 -6.619) 34.414 3.127 ( 2.772 5.430 -2.845) 6.728 3.946 ( 9.406 24.862 6.530) 27.372 5.745 ( -2.049 -5.483 -5.401) 7.964 8.046 ( 5.951 13.483 0.989) 14.771 9.738 ( -4.575 -14.090 10.242) 18.010 10.488 ( 3.590 20.056 -23.748) 31.290 11.110 ( -0.606 -4.889 -1.055) 5.038 14.390 ( -2.796 -18.432 11.969) 22.155 15.059 ( -1.963 3.551 -12.005) 12.672 ======================= Grid point 1579 (447/489) ======================= q-point: ( 0.53 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 10.460 19.951 3.596) 22.812 2.523 ( 1.908 6.610 10.541) 12.588 3.238 ( 3.390 7.543 -2.336) 8.593 3.570 ( 17.142 27.583 -6.034) 33.031 4.407 ( 13.755 21.384 5.098) 25.932 5.663 ( -1.178 -1.843 -3.636) 4.243 8.340 ( 9.786 16.684 0.843) 19.361 9.397 ( -12.436 -17.617 4.281) 21.985 10.739 ( 7.905 11.689 -11.987) 18.515 11.050 ( -1.451 -2.422 -2.619) 3.851 14.129 ( -8.127 -22.680 9.715) 25.977 15.013 ( -2.705 3.728 -9.422) 10.487 ======================= Grid point 1580 (448/489) ======================= q-point: ( 0.59 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 3.663 6.773 5.603) 9.523 2.846 ( 10.618 20.870 2.789) 23.582 3.372 ( 2.677 9.542 -1.407) 10.010 4.076 ( 15.590 17.889 -5.875) 24.446 4.855 ( 14.118 15.685 3.371) 21.371 5.661 ( 2.224 2.121 -1.155) 3.283 8.710 ( 11.001 19.410 0.961) 22.331 9.082 ( -8.345 -9.222 2.942) 12.780 10.874 ( 3.974 1.945 -6.250) 7.658 10.985 ( -2.768 -2.089 -3.923) 5.236 13.702 ( -16.156 -24.383 3.803) 29.495 15.006 ( 0.835 2.256 -2.754) 3.656 ======================= Grid point 1581 (449/489) ======================= q-point: ( 0.65 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 4.639 5.983 1.942) 7.815 3.227 ( 7.776 21.174 1.276) 22.593 3.510 ( 1.322 11.220 -0.153) 11.299 4.399 ( 8.464 8.380 -6.191) 13.424 5.219 ( 11.783 9.264 3.039) 15.294 5.786 ( 7.796 5.270 0.789) 9.443 8.950 ( -0.628 -1.400 3.504) 3.825 9.106 ( 9.096 20.638 1.019) 22.576 10.860 ( -2.844 -5.858 -7.066) 9.609 10.937 ( 0.476 3.378 -1.242) 3.631 13.126 ( -22.528 -22.618 -0.605) 31.929 15.064 ( 5.061 -1.371 2.271) 5.714 ======================= Grid point 1582 (450/489) ======================= q-point: ( 0.71 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( 3.835 4.331 -1.611) 6.005 3.529 ( 2.385 19.642 -1.557) 19.847 3.648 ( 0.340 13.793 2.460) 14.015 4.526 ( 2.867 3.135 -5.366) 6.844 5.458 ( 7.323 3.486 2.363) 8.447 6.017 ( 11.526 4.277 2.248) 12.497 9.023 ( 6.127 3.573 3.365) 7.851 9.447 ( 5.021 20.726 1.150) 21.356 10.718 ( -2.550 -7.120 -5.118) 9.132 10.986 ( -0.398 5.934 -1.440) 6.119 12.500 ( -24.301 -17.901 -1.998) 30.249 15.155 ( 7.667 -5.248 4.065) 10.142 ======================= Grid point 1595 (451/489) ======================= q-point: ( 0.47 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -0.000 20.136 2.670) 20.312 2.516 ( -0.000 5.130 11.594) 12.678 3.136 ( 0.000 4.993 -2.967) 5.809 3.262 ( 0.000 35.085 -6.158) 35.621 4.164 ( -0.000 28.101 7.168) 29.001 5.697 ( 0.000 -3.934 -4.344) 5.861 8.139 ( -0.000 15.341 0.906) 15.368 9.640 ( -0.000 -20.169 6.445) 21.174 10.602 ( 0.000 21.044 -18.759) 28.191 11.051 ( 0.000 -6.049 -0.262) 6.055 14.249 ( -0.000 -22.371 12.741) 25.745 15.084 ( 0.000 5.080 -12.198) 13.214 ======================= Grid point 1596 (452/489) ======================= q-point: ( 0.53 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 8.260 19.508 1.790) 21.260 2.592 ( 0.427 5.390 6.030) 8.099 3.223 ( 4.500 5.865 -2.613) 7.841 3.643 ( 6.744 30.260 -4.103) 31.273 4.509 ( 4.818 26.465 5.352) 27.428 5.653 ( -0.573 -0.832 -2.784) 2.962 8.365 ( 6.814 17.348 0.632) 18.649 9.391 ( -6.413 -17.893 0.810) 19.025 10.748 ( 1.676 11.647 -8.622) 14.588 11.006 ( 1.214 -4.527 -1.262) 4.854 14.015 ( -3.491 -26.245 11.328) 28.798 15.078 ( -2.585 5.713 -10.907) 12.581 ======================= Grid point 1597 (453/489) ======================= q-point: ( 0.59 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( 2.082 6.437 2.641) 7.263 2.855 ( 12.368 19.311 1.850) 23.007 3.380 ( 6.084 7.749 -2.098) 10.073 4.039 ( 9.414 20.864 -2.332) 23.008 4.866 ( 6.713 21.037 2.278) 22.199 5.658 ( 0.794 3.168 -0.866) 3.379 8.715 ( 11.310 19.565 0.490) 22.604 9.123 ( -6.857 -10.157 -0.839) 12.283 10.831 ( 1.868 2.986 -2.918) 4.574 10.974 ( -0.192 -3.675 -1.965) 4.172 13.666 ( -8.576 -28.335 7.138) 30.453 15.048 ( -3.228 4.529 -6.795) 8.781 ======================= Grid point 1598 (454/489) ======================= q-point: ( 0.65 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( 3.329 6.019 1.170) 6.977 3.276 ( 11.912 20.285 1.206) 23.555 3.564 ( 5.201 10.045 -1.102) 11.365 4.343 ( 7.322 10.990 -1.886) 13.339 5.166 ( 7.282 13.539 0.770) 15.392 5.745 ( 3.678 6.314 0.345) 7.316 8.966 ( -2.226 -2.044 0.330) 3.041 9.140 ( 11.838 20.922 0.332) 24.041 10.827 ( -1.966 -5.053 -2.979) 6.186 10.951 ( 1.345 2.112 -0.249) 2.516 13.201 ( -14.246 -26.909 2.199) 30.527 15.023 ( -1.067 0.743 -1.736) 2.169 ======================= Grid point 1599 (455/489) ======================= q-point: ( 0.71 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( 3.109 4.804 -0.380) 5.735 3.661 ( 7.000 21.346 -1.377) 22.507 3.754 ( 4.318 12.316 2.046) 13.210 4.500 ( 3.042 4.628 -2.295) 5.995 5.389 ( 6.190 6.295 0.983) 8.883 5.900 ( 6.956 5.056 0.679) 8.626 8.985 ( 3.335 3.569 1.563) 5.129 9.544 ( 9.121 21.160 0.684) 23.052 10.687 ( -4.044 -8.057 -2.043) 9.244 11.038 ( 2.262 7.297 -0.604) 7.663 12.669 ( -18.066 -21.915 -1.184) 28.426 15.017 ( 2.466 -4.419 1.699) 5.338 ======================= Grid point 1613 (456/489) ======================= q-point: ( 0.53 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( -0.000 18.707 0.830) 18.726 2.651 ( -0.000 5.186 1.494) 5.397 3.224 ( 0.000 5.266 -2.226) 5.718 3.872 ( 0.000 26.700 -1.583) 26.746 4.760 ( -0.000 26.655 3.668) 26.907 5.655 ( 0.000 2.019 -1.509) 2.521 8.478 ( -0.000 17.586 0.260) 17.587 9.275 ( 0.000 -14.519 -3.228) 14.874 10.817 ( 0.000 6.618 -3.708) 7.586 10.940 ( -0.000 -4.624 0.204) 4.629 13.800 ( -0.000 -29.591 10.706) 31.468 15.134 ( 0.000 7.045 -10.594) 12.723 ======================= Grid point 1614 (457/489) ======================= q-point: ( 0.59 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( 0.804 6.182 -0.356) 6.244 2.843 ( 9.405 17.215 0.706) 19.629 3.326 ( 5.922 5.740 -1.959) 8.477 4.136 ( 3.237 19.238 0.864) 19.528 5.030 ( 1.266 22.252 0.496) 22.294 5.694 ( 0.210 6.380 -0.132) 6.385 8.729 ( 8.099 18.073 -0.082) 19.805 9.109 ( -3.407 -8.244 -4.884) 10.169 10.842 ( -0.447 1.134 1.364) 1.829 10.918 ( 1.317 -3.609 -0.249) 3.850 13.491 ( -3.495 -31.727 8.076) 32.925 15.144 ( -3.369 6.754 -8.526) 11.386 ======================= Grid point 1615 (458/489) ======================= q-point: ( 0.65 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 2.344 5.975 -0.040) 6.418 3.229 ( 14.346 16.791 0.881) 22.102 3.518 ( 8.949 7.269 -1.921) 11.688 4.358 ( 3.909 10.957 2.343) 11.867 5.240 ( 1.575 15.291 -1.526) 15.448 5.789 ( 0.814 9.855 0.235) 9.891 8.984 ( -2.051 -0.677 -3.490) 4.104 9.114 ( 13.139 18.215 -0.734) 22.472 10.814 ( -2.464 -5.053 2.272) 6.064 10.929 ( 2.798 1.234 0.515) 3.101 13.101 ( -6.972 -31.082 4.479) 32.167 15.100 ( -5.453 4.309 -5.167) 8.660 ======================= Grid point 1631 (459/489) ======================= q-point: ( 0.59 0.59 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 0.000 6.024 -1.369) 6.178 2.920 ( -0.000 15.843 0.071) 15.843 3.317 ( 0.000 5.001 -1.254) 5.155 4.287 ( -0.000 14.091 3.367) 14.488 5.228 ( 0.000 18.350 -1.930) 18.451 5.781 ( -0.000 11.061 0.346) 11.067 8.826 ( 0.000 16.536 -0.319) 16.539 9.055 ( 0.000 -3.835 -6.842) 7.843 10.853 ( -0.000 -2.272 5.010) 5.501 10.878 ( -0.000 -1.597 0.506) 1.675 13.212 ( -0.000 -33.937 6.604) 34.574 15.224 ( 0.000 7.569 -8.113) 11.096 ======================= Grid point 1632 (460/489) ======================= q-point: (-0.35 -0.41 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( 1.058 6.161 -0.118) 6.252 3.162 ( 10.046 14.055 0.278) 17.279 3.426 ( 7.006 5.228 -1.205) 8.824 4.426 ( 1.249 8.333 4.941) 9.768 5.372 ( -0.458 12.860 -3.111) 13.239 5.907 ( -0.397 13.812 -0.481) 13.826 9.005 ( -1.114 2.506 -5.505) 6.150 9.073 ( 9.329 14.881 -0.988) 17.591 10.819 ( -2.246 -4.892 5.769) 7.891 10.896 ( 2.420 0.928 1.366) 2.930 12.865 ( -2.272 -33.806 4.148) 34.135 15.233 ( -4.651 6.588 -6.398) 10.294 ======================= Grid point 1649 (461/489) ======================= q-point: (-0.35 -0.35 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( -0.000 6.224 1.567) 6.419 3.200 ( -0.000 11.871 0.054) 11.871 3.406 ( 0.000 4.370 -0.418) 4.390 4.501 ( -0.000 5.029 6.275) 8.041 5.479 ( 0.000 9.615 -3.551) 10.250 6.056 ( 0.000 14.734 -2.105) 14.884 9.042 ( 0.000 6.313 -5.162) 8.155 9.121 ( 0.000 12.804 -0.187) 12.806 10.822 ( -0.000 -4.598 8.437) 9.608 10.880 ( -0.000 1.334 0.165) 1.344 12.548 ( -0.000 -34.210 2.236) 34.283 15.326 ( 0.000 6.843 -6.037) 9.126 ======================= Grid point 1849 (462/489) ======================= q-point: ( 0.35 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -0.000 0.000 12.828) 12.828 1.199 ( -0.000 0.000 12.828) 12.828 2.514 ( -0.000 0.000 29.596) 29.596 2.980 ( 0.000 -0.000 -3.177) 3.177 2.980 ( 0.000 -0.000 -3.177) 3.177 6.505 ( 0.000 -0.000 -14.178) 14.178 7.658 ( -0.000 0.000 0.856) 0.856 7.658 ( -0.000 0.000 0.856) 0.856 11.293 ( 0.000 -0.000 -0.656) 0.656 11.293 ( 0.000 -0.000 -0.656) 0.656 14.786 ( -0.000 0.000 3.099) 3.099 14.947 ( 0.000 -0.000 -1.932) 1.932 ======================= Grid point 1850 (463/489) ======================= q-point: ( 0.41 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 10.321 5.959 11.015) 16.228 1.613 ( 26.463 15.278 9.771) 32.081 2.553 ( -2.106 -1.216 18.785) 18.942 2.985 ( 1.567 0.905 -2.685) 3.238 3.185 ( 16.235 9.373 1.394) 18.799 6.133 ( -15.974 -9.223 -7.465) 19.899 7.723 ( 4.994 2.883 0.487) 5.787 8.511 ( 54.870 31.679 -9.448) 64.059 10.989 ( -23.641 -13.649 -1.053) 27.318 11.258 ( -2.717 -1.568 -0.568) 3.188 14.754 ( -3.732 -2.155 5.362) 6.879 14.989 ( 3.049 1.760 -5.690) 6.691 ======================= Grid point 1851 (464/489) ======================= q-point: ( 0.47 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 16.408 9.473 7.912) 20.532 2.241 ( 16.223 9.366 18.588) 26.390 2.669 ( 16.106 9.299 -1.913) 18.696 3.033 ( 3.158 1.823 -2.114) 4.215 3.662 ( 22.981 13.268 3.481) 26.763 5.842 ( -8.081 -4.665 -5.868) 11.022 7.891 ( 9.315 5.378 0.199) 10.758 9.655 ( 37.729 21.783 -3.031) 43.671 10.373 ( -21.501 -12.414 -8.952) 26.392 11.170 ( -4.559 -2.632 -0.508) 5.289 14.649 ( -7.543 -4.355 8.963) 12.498 14.990 ( -0.936 -0.540 -10.408) 10.464 ======================= Grid point 1852 (465/489) ======================= q-point: ( 0.53 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 17.924 10.348 5.248) 21.352 2.438 ( 2.686 1.551 15.653) 15.958 3.114 ( 4.180 2.413 -1.542) 5.067 3.291 ( 31.479 18.175 -7.014) 37.020 4.226 ( 23.969 13.839 3.301) 27.874 5.693 ( -3.525 -2.035 -4.231) 5.870 8.151 ( 12.927 7.463 0.121) 14.927 9.598 ( -22.949 -13.250 8.046) 27.694 10.587 ( 23.971 13.840 -16.696) 32.326 11.054 ( -5.005 -2.890 -0.503) 5.802 14.411 ( -16.338 -9.433 5.768) 19.727 14.937 ( 0.444 0.256 -6.283) 6.303 ======================= Grid point 1853 (466/489) ======================= q-point: ( 0.59 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 16.785 9.691 3.206) 19.645 2.570 ( 5.480 3.164 9.100) 11.084 3.212 ( 4.536 2.619 -1.011) 5.334 3.934 ( 24.504 14.147 -7.220) 29.201 4.764 ( 21.000 12.125 3.231) 24.463 5.658 ( 1.692 0.977 -1.760) 2.629 8.478 ( 14.885 8.594 0.233) 17.189 9.176 ( -14.171 -8.181 6.076) 17.455 10.905 ( 7.755 4.477 -12.005) 14.976 10.947 ( -3.846 -2.220 -0.528) 4.472 13.923 ( -25.636 -14.801 -0.956) 29.617 15.000 ( 5.098 2.943 2.188) 6.280 ======================= Grid point 1854 (467/489) ======================= q-point: ( 0.65 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 6.715 3.877 3.591) 8.545 2.913 ( 14.090 8.135 1.581) 16.347 3.313 ( 4.290 2.477 -0.459) 4.975 4.341 ( 12.564 7.254 -7.738) 16.443 5.199 ( 15.067 8.699 4.107) 17.876 5.781 ( 9.239 5.334 0.353) 10.674 8.822 ( 14.260 8.233 0.339) 16.469 8.993 ( -3.367 -1.944 6.002) 7.151 10.883 ( -1.411 -0.815 -0.468) 1.696 10.926 ( -1.562 -0.902 -10.076) 10.236 13.259 ( -30.119 -17.389 -3.208) 34.926 15.157 ( 6.714 3.876 5.803) 9.684 ======================= Grid point 1867 (468/489) ======================= q-point: ( 0.41 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -0.000 13.104 7.566) 15.131 1.610 ( -0.000 30.200 9.804) 31.752 2.617 ( -0.000 -2.909 15.236) 15.511 2.989 ( 0.000 2.395 -2.913) 3.771 3.168 ( -0.000 17.557 3.025) 17.816 6.110 ( 0.000 -17.958 -7.059) 19.296 7.711 ( -0.000 5.188 0.999) 5.283 8.491 ( 0.000 61.696 -7.766) 62.183 11.002 ( 0.000 -25.186 -1.852) 25.254 11.258 ( 0.000 -3.115 -0.545) 3.162 14.759 ( -0.000 -5.263 5.511) 7.621 14.974 ( 0.000 3.186 -5.284) 6.170 ======================= Grid point 1868 (469/489) ======================= q-point: ( 0.47 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 7.522 16.931 5.976) 19.466 2.136 ( 16.822 27.125 11.412) 33.897 2.626 ( 0.616 3.178 3.417) 4.707 3.023 ( 1.432 3.944 -2.184) 4.730 3.507 ( 13.641 19.915 4.189) 24.500 5.879 ( -5.604 -9.608 -5.331) 12.335 7.832 ( 5.442 8.048 0.597) 9.733 9.351 ( 28.121 47.047 -5.422) 55.078 10.546 ( -17.668 -25.285 -5.125) 31.270 11.199 ( -2.288 -3.881 -0.496) 4.533 14.692 ( -2.479 -8.488 8.348) 12.160 14.978 ( -0.628 1.429 -8.871) 9.007 ======================= Grid point 1869 (470/489) ======================= q-point: ( 0.53 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 12.110 18.108 4.350) 22.214 2.481 ( 1.050 2.738 15.289) 15.568 2.991 ( 23.870 25.441 -7.467) 35.676 3.101 ( 2.635 6.001 -1.256) 6.673 4.012 ( 19.399 18.985 2.998) 27.308 5.714 ( -3.676 -4.275 -3.819) 6.810 8.058 ( 9.113 11.364 0.240) 14.569 9.813 ( -15.343 -18.415 10.499) 26.168 10.316 ( 19.180 22.885 -17.694) 34.708 11.105 ( -3.902 -3.294 -0.577) 5.139 14.525 ( -8.352 -13.704 7.162) 17.574 14.933 ( -1.453 1.382 -7.848) 8.100 ======================= Grid point 1870 (471/489) ======================= q-point: ( 0.59 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 12.404 17.175 2.938) 21.388 2.569 ( 2.761 4.302 8.198) 9.661 3.201 ( 2.534 6.849 -0.572) 7.325 3.657 ( 24.240 21.136 -5.258) 32.588 4.545 ( 20.147 15.900 1.810) 25.729 5.643 ( -0.307 -0.660 -1.868) 2.005 8.369 ( 11.443 14.255 0.222) 18.281 9.345 ( -15.533 -14.782 5.087) 22.037 10.751 ( 12.140 8.967 -8.774) 17.458 11.005 ( -4.282 -1.573 -0.906) 4.651 14.140 ( -18.446 -18.270 -0.216) 25.963 14.954 ( 3.245 2.332 0.498) 4.027 ======================= Grid point 1871 (472/489) ======================= q-point: ( 0.65 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( 5.198 4.652 4.008) 8.045 2.839 ( 10.361 17.168 1.360) 20.098 3.315 ( 1.984 7.819 0.252) 8.070 4.167 ( 15.869 12.560 -5.456) 20.960 5.021 ( 17.486 11.416 2.292) 21.008 5.695 ( 5.582 3.492 -0.314) 6.591 8.726 ( 11.472 15.881 0.427) 19.596 9.059 ( -6.582 -6.671 5.454) 10.842 10.881 ( 2.299 0.368 -6.177) 6.602 10.923 ( -3.534 -0.903 -1.778) 4.058 13.549 ( -25.583 -19.871 -4.047) 32.645 15.077 ( 6.898 1.343 5.423) 8.877 ======================= Grid point 1885 (473/489) ======================= q-point: ( 0.47 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -0.000 18.486 2.815) 18.699 2.339 ( -0.000 28.916 13.875) 32.072 2.669 ( 0.000 8.575 -4.088) 9.500 3.037 ( 0.000 3.979 -2.425) 4.659 3.641 ( -0.000 25.500 5.569) 26.101 5.810 ( 0.000 -9.069 -4.294) 10.034 7.878 ( -0.000 10.712 1.000) 10.759 9.602 ( -0.000 44.977 0.685) 44.982 10.406 ( 0.000 -25.317 -10.906) 27.567 11.167 ( 0.000 -5.375 -0.344) 5.386 14.637 ( -0.000 -12.345 9.743) 15.727 14.977 ( 0.000 2.180 -9.379) 9.629 ======================= Grid point 1886 (474/489) ======================= q-point: ( 0.53 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 8.200 19.735 1.737) 21.441 2.545 ( -0.233 2.493 10.618) 10.909 2.960 ( 11.008 33.719 -6.248) 36.016 3.105 ( 3.231 5.442 -1.687) 6.549 3.999 ( 8.620 25.485 4.350) 27.253 5.705 ( -1.918 -5.129 -2.922) 6.207 8.054 ( 5.799 13.521 0.650) 14.726 9.837 ( -6.790 -20.345 9.723) 23.549 10.290 ( 7.046 26.649 -16.699) 32.228 11.103 ( -0.921 -5.107 -0.408) 5.205 14.494 ( -3.499 -17.527 9.388) 20.188 14.956 ( -1.554 2.924 -9.199) 9.777 ======================= Grid point 1887 (475/489) ======================= q-point: ( 0.59 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 11.019 19.695 1.258) 22.603 2.596 ( 1.584 3.994 4.102) 5.940 3.222 ( 3.877 7.336 -0.938) 8.351 3.527 ( 16.748 28.148 -2.446) 32.845 4.441 ( 12.984 21.635 1.878) 25.302 5.639 ( -0.821 -1.341 -1.351) 2.073 8.346 ( 9.753 16.799 0.292) 19.427 9.427 ( -12.192 -19.608 1.750) 23.156 10.657 ( 8.789 14.414 -4.619) 17.502 11.035 ( -1.845 -3.195 -0.648) 3.746 14.196 ( -10.755 -22.033 3.783) 24.808 14.949 ( 0.012 3.371 -3.714) 5.016 ======================= Grid point 1888 (476/489) ======================= q-point: ( 0.65 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 3.712 5.472 1.751) 6.840 2.862 ( 10.442 20.462 0.499) 22.978 3.367 ( 3.168 9.308 0.392) 9.840 4.038 ( 14.508 18.333 -2.056) 23.469 4.874 ( 14.311 15.711 0.598) 21.261 5.655 ( 2.609 2.601 -0.187) 3.689 8.716 ( 11.133 19.596 0.247) 22.539 9.108 ( -7.161 -10.406 2.214) 12.825 10.828 ( 3.213 2.893 -2.582) 5.036 10.967 ( -2.950 -2.064 -0.401) 3.623 13.710 ( -18.588 -23.228 -1.992) 29.817 15.004 ( 3.655 1.181 2.357) 4.506 ======================= Grid point 1903 (477/489) ======================= q-point: ( 0.53 0.53 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -0.000 19.908 -0.022) 19.908 2.587 ( -0.000 1.454 2.518) 2.908 3.114 ( 0.000 4.938 -1.659) 5.209 3.220 ( 0.000 36.590 -1.849) 36.637 4.220 ( -0.000 28.019 4.251) 28.340 5.667 ( 0.000 -3.524 -1.762) 3.940 8.146 ( -0.000 15.176 0.635) 15.190 9.682 ( -0.000 -25.677 1.549) 25.723 10.475 ( 0.000 26.990 -7.199) 27.933 11.049 ( 0.000 -5.936 0.004) 5.936 14.358 ( -0.000 -21.982 9.847) 24.086 14.979 ( 0.000 4.645 -9.339) 10.430 ======================= Grid point 1904 (478/489) ======================= q-point: ( 0.59 0.53 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 8.482 19.351 -0.555) 21.135 2.616 ( 1.086 3.863 -1.254) 4.204 3.204 ( 4.559 5.757 -1.190) 7.440 3.627 ( 6.572 31.067 0.787) 31.764 4.544 ( 4.211 25.825 1.954) 26.239 5.637 ( -0.428 -0.361 -0.567) 0.797 8.369 ( 6.779 17.184 0.219) 18.474 9.382 ( -5.946 -20.124 -2.597) 21.145 10.707 ( 2.264 14.437 0.269) 14.616 11.001 ( 0.671 -4.708 -0.033) 4.755 14.104 ( -4.782 -26.168 6.980) 27.502 14.991 ( -1.350 5.504 -6.956) 8.972 ======================= Grid point 1921 (479/489) ======================= q-point: (-0.41 -0.41 -0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 0.000 18.913 -1.280) 18.956 2.637 ( 0.000 4.882 -4.521) 6.653 3.210 ( 0.000 5.248 -0.640) 5.287 3.882 ( -0.000 27.537 3.467) 27.754 4.779 ( -0.000 25.240 0.222) 25.241 5.648 ( -0.000 2.461 0.139) 2.465 8.479 ( -0.000 17.346 0.014) 17.346 9.233 ( 0.000 -16.049 -5.494) 16.963 10.823 ( -0.000 8.533 4.911) 9.845 10.943 ( -0.000 -4.498 0.393) 4.515 13.885 ( -0.000 -30.049 6.777) 30.804 15.047 ( 0.000 7.072 -7.389) 10.228 ======================= Grid point 2158 (480/489) ======================= q-point: ( 0.41 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -0.000 0.000 8.143) 8.143 1.300 ( -0.000 0.000 8.143) 8.143 2.749 ( -0.000 0.000 19.446) 19.446 2.953 ( 0.000 -0.000 -2.265) 2.265 2.953 ( 0.000 -0.000 -2.265) 2.265 6.387 ( 0.000 -0.000 -10.204) 10.204 7.665 ( -0.000 0.000 0.568) 0.568 7.665 ( -0.000 0.000 0.568) 0.568 11.288 ( 0.000 -0.000 -0.435) 0.435 11.288 ( 0.000 -0.000 -0.435) 0.435 14.814 ( -0.000 0.000 2.692) 2.692 14.929 ( 0.000 -0.000 -1.927) 1.927 ======================= Grid point 2159 (481/489) ======================= q-point: ( 0.47 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 9.891 5.710 6.870) 13.328 1.684 ( 26.708 15.420 5.106) 31.260 2.684 ( -5.419 -3.129 9.048) 11.001 2.965 ( 1.682 0.971 -1.503) 2.456 3.207 ( 17.126 9.888 2.565) 19.941 6.070 ( -14.899 -8.602 -5.247) 17.986 7.726 ( 4.883 2.819 0.076) 5.639 8.446 ( 52.374 30.238 -4.459) 60.640 10.982 ( -24.039 -13.879 -0.390) 27.761 11.254 ( -2.713 -1.566 -0.312) 3.148 14.803 ( -2.168 -1.252 4.966) 5.562 14.937 ( 0.781 0.451 -5.154) 5.232 ======================= Grid point 2160 (482/489) ======================= q-point: ( 0.53 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 15.792 9.118 4.778) 18.851 2.390 ( 25.640 14.803 11.906) 31.910 2.636 ( 5.059 2.921 -4.160) 7.171 3.019 ( 3.247 1.875 -0.719) 3.818 3.687 ( 22.941 13.245 1.252) 26.520 5.797 ( -7.837 -4.525 -3.131) 9.576 7.890 ( 9.298 5.368 -0.254) 10.739 9.630 ( 45.579 26.315 -2.251) 52.678 10.321 ( -29.352 -16.946 -2.070) 33.956 11.166 ( -4.584 -2.646 -0.242) 5.298 14.723 ( -7.559 -4.364 5.381) 10.254 14.905 ( -1.023 -0.590 -6.457) 6.564 ======================= Grid point 2161 (483/489) ======================= q-point: ( 0.59 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 17.407 10.050 2.857) 20.302 2.557 ( 0.729 0.421 8.480) 8.521 3.106 ( 4.225 2.439 0.005) 4.878 3.233 ( 31.991 18.470 -4.398) 37.201 4.242 ( 24.133 13.933 -0.303) 27.868 5.666 ( -3.098 -1.789 -1.431) 3.853 8.150 ( 13.018 7.516 -0.276) 15.034 9.664 ( -24.329 -14.046 5.073) 28.547 10.473 ( 25.553 14.753 -6.523) 30.219 11.051 ( -5.059 -2.921 -0.272) 5.848 14.424 ( -18.358 -10.599 -3.197) 21.438 14.919 ( 3.024 1.746 2.661) 4.390 ======================= Grid point 2176 (484/489) ======================= q-point: ( 0.47 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -0.000 12.062 2.974) 12.424 1.682 ( -0.000 30.509 5.298) 30.966 2.714 ( -0.000 -6.151 5.552) 8.286 2.966 ( 0.000 2.256 -1.692) 2.820 3.203 ( -0.000 18.902 3.474) 19.219 6.056 ( 0.000 -16.893 -3.991) 17.358 7.719 ( -0.000 5.328 0.725) 5.377 8.438 ( 0.000 59.717 -3.451) 59.817 10.988 ( 0.000 -26.742 -1.054) 26.763 11.254 ( 0.000 -3.120 -0.287) 3.133 14.810 ( -0.000 -3.114 4.939) 5.838 14.926 ( 0.000 0.869 -4.653) 4.733 ======================= Grid point 2177 (485/489) ======================= q-point: ( 0.53 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 8.331 15.766 2.098) 17.955 2.212 ( 18.995 31.946 4.225) 37.406 2.643 ( -2.421 -3.210 0.574) 4.061 3.008 ( 1.855 3.727 -0.795) 4.239 3.538 ( 12.693 20.677 1.877) 24.335 5.842 ( -5.449 -9.394 -2.056) 11.053 7.835 ( 5.062 8.286 0.209) 9.712 9.316 ( 29.069 49.885 -1.814) 57.765 10.514 ( -17.928 -29.324 -1.645) 34.410 11.196 ( -2.288 -3.936 -0.170) 4.556 14.764 ( -2.588 -7.052 5.698) 9.428 14.904 ( -1.065 0.160 -5.854) 5.952 ======================= Grid point 2178 (486/489) ======================= q-point: ( 0.59 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 12.398 17.359 1.399) 21.377 2.581 ( -0.735 -0.676 4.133) 4.252 2.937 ( 25.549 27.718 -2.378) 37.772 3.096 ( 2.859 5.834 0.205) 6.501 4.024 ( 18.628 19.607 -0.632) 27.053 5.693 ( -3.465 -4.122 -0.523) 5.411 8.058 ( 8.954 11.596 -0.220) 14.652 9.885 ( -20.520 -23.935 2.002) 31.591 10.209 ( 25.180 28.065 -2.056) 37.761 11.102 ( -3.935 -3.430 -0.091) 5.221 14.553 ( -11.442 -13.081 -2.040) 17.498 14.900 ( 1.549 1.136 1.593) 2.496 ======================= Grid point 2194 (487/489) ======================= q-point: ( 0.53 0.53 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 0.000 18.089 -0.998) 18.117 2.434 ( -0.000 38.881 4.179) 39.105 2.625 ( 0.000 -3.308 -3.209) 4.609 3.020 ( 0.000 3.865 -0.935) 3.977 3.681 ( -0.000 26.044 2.515) 26.166 5.786 ( 0.000 -8.923 -0.740) 8.954 7.886 ( -0.000 10.721 0.674) 10.742 9.612 ( -0.000 52.730 1.507) 52.752 10.333 ( 0.000 -33.701 -4.539) 34.005 11.165 ( 0.000 -5.331 -0.056) 5.331 14.718 ( -0.000 -10.927 6.268) 12.597 14.901 ( 0.000 0.880 -5.529) 5.599 ======================= Grid point 2467 (488/489) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -0.000 0.000 2.801) 2.801 1.352 ( -0.000 0.000 2.801) 2.801 2.876 ( -0.000 0.000 6.835) 6.835 2.938 ( 0.000 -0.000 -0.827) 0.827 2.938 ( 0.000 -0.000 -0.827) 0.827 6.319 ( 0.000 -0.000 -3.756) 3.756 7.669 ( -0.000 0.000 0.199) 0.199 7.669 ( -0.000 0.000 0.199) 0.199 11.285 ( 0.000 -0.000 -0.152) 0.152 11.285 ( 0.000 -0.000 -0.152) 0.152 14.834 ( -0.000 0.000 1.291) 1.291 14.913 ( 0.000 -0.000 -1.025) 1.025 ======================= Grid point 2468 (489/489) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 9.953 5.746 2.028) 11.670 1.708 ( 26.661 15.393 -0.110) 30.785 2.732 ( -6.155 -3.553 1.460) 7.255 2.958 ( 1.817 1.049 0.082) 2.100 3.221 ( 16.836 9.720 -0.030) 19.440 6.040 ( -14.386 -8.306 -0.811) 16.631 7.724 ( 4.750 2.743 -0.349) 5.496 8.423 ( 51.324 29.632 -0.391) 59.266 10.981 ( -23.876 -13.785 0.309) 27.571 11.252 ( -2.707 -1.563 -0.013) 3.126 14.838 ( -0.977 -0.564 0.813) 1.390 14.900 ( -0.827 -0.477 -1.038) 1.410 =================== 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 3/58956 10.0 3568.993 3568.993 7554.245 0.000 -0.000 -0.000 3/58956 20.0 1181.320 1181.320 1452.050 0.000 -0.000 -0.000 3/58956 30.0 411.798 411.798 309.106 0.000 -0.000 -0.000 3/58956 40.0 214.937 214.937 118.852 0.000 -0.000 -0.000 3/58956 50.0 143.689 143.689 64.424 0.000 -0.000 -0.000 3/58956 60.0 107.627 107.627 42.196 0.000 -0.000 -0.000 3/58956 70.0 85.115 85.115 30.809 0.000 -0.000 -0.000 3/58956 80.0 69.498 69.498 24.056 0.000 -0.000 -0.000 3/58956 90.0 58.080 58.080 19.644 0.000 -0.000 -0.000 3/58956 100.0 49.470 49.470 16.564 0.000 -0.000 -0.000 3/58956 110.0 42.829 42.829 14.306 0.000 -0.000 -0.000 3/58956 120.0 37.609 37.609 12.588 0.000 -0.000 -0.000 3/58956 130.0 33.434 33.434 11.241 0.000 -0.000 -0.000 3/58956 140.0 30.042 30.042 10.160 0.000 -0.000 -0.000 3/58956 150.0 27.247 27.247 9.273 0.000 -0.000 -0.000 3/58956 160.0 24.913 24.913 8.534 0.000 -0.000 -0.000 3/58956 170.0 22.940 22.940 7.908 0.000 -0.000 -0.000 3/58956 180.0 21.255 21.255 7.372 0.000 -0.000 -0.000 3/58956 190.0 19.800 19.800 6.907 0.000 -0.000 -0.000 3/58956 200.0 18.532 18.532 6.499 0.000 -0.000 -0.000 3/58956 210.0 17.420 17.420 6.139 0.000 -0.000 -0.000 3/58956 220.0 16.436 16.436 5.819 0.000 -0.000 -0.000 3/58956 230.0 15.559 15.559 5.532 0.000 -0.000 -0.000 3/58956 240.0 14.773 14.773 5.273 0.000 -0.000 -0.000 3/58956 250.0 14.065 14.065 5.038 0.000 -0.000 -0.000 3/58956 260.0 13.424 13.424 4.824 0.000 -0.000 -0.000 3/58956 270.0 12.840 12.840 4.628 0.000 -0.000 -0.000 3/58956 280.0 12.307 12.307 4.448 0.000 -0.000 -0.000 3/58956 290.0 11.817 11.817 4.282 0.000 -0.000 -0.000 3/58956 300.0 11.367 11.367 4.128 0.000 -0.000 -0.000 3/58956 310.0 10.950 10.950 3.986 0.000 -0.000 -0.000 3/58956 320.0 10.564 10.564 3.853 0.000 -0.000 -0.000 3/58956 330.0 10.205 10.205 3.729 0.000 -0.000 -0.000 3/58956 340.0 9.870 9.870 3.613 0.000 -0.000 -0.000 3/58956 350.0 9.557 9.557 3.504 0.000 -0.000 -0.000 3/58956 360.0 9.265 9.265 3.402 0.000 -0.000 -0.000 3/58956 370.0 8.990 8.990 3.305 0.000 -0.000 -0.000 3/58956 380.0 8.731 8.731 3.214 0.000 -0.000 -0.000 3/58956 390.0 8.487 8.487 3.128 0.000 -0.000 -0.000 3/58956 400.0 8.257 8.257 3.047 0.000 -0.000 -0.000 3/58956 410.0 8.040 8.040 2.970 0.000 -0.000 -0.000 3/58956 420.0 7.833 7.833 2.896 0.000 -0.000 -0.000 3/58956 430.0 7.638 7.638 2.827 0.000 -0.000 -0.000 3/58956 440.0 7.452 7.452 2.760 0.000 -0.000 -0.000 3/58956 450.0 7.275 7.275 2.697 0.000 -0.000 -0.000 3/58956 460.0 7.107 7.107 2.637 0.000 -0.000 -0.000 3/58956 470.0 6.947 6.947 2.579 0.000 -0.000 -0.000 3/58956 480.0 6.793 6.793 2.524 0.000 -0.000 -0.000 3/58956 490.0 6.647 6.647 2.471 0.000 -0.000 -0.000 3/58956 500.0 6.507 6.507 2.420 0.000 -0.000 -0.000 3/58956 510.0 6.372 6.372 2.372 0.000 -0.000 -0.000 3/58956 520.0 6.244 6.244 2.325 0.000 -0.000 -0.000 3/58956 530.0 6.120 6.120 2.280 0.000 -0.000 -0.000 3/58956 540.0 6.001 6.001 2.237 0.000 -0.000 -0.000 3/58956 550.0 5.887 5.887 2.196 0.000 -0.000 -0.000 3/58956 560.0 5.778 5.778 2.156 0.000 -0.000 -0.000 3/58956 570.0 5.672 5.672 2.117 0.000 -0.000 -0.000 3/58956 580.0 5.570 5.570 2.080 0.000 -0.000 -0.000 3/58956 590.0 5.472 5.472 2.044 0.000 -0.000 -0.000 3/58956 600.0 5.378 5.378 2.010 0.000 -0.000 -0.000 3/58956 610.0 5.286 5.286 1.976 0.000 -0.000 -0.000 3/58956 620.0 5.198 5.198 1.944 0.000 -0.000 -0.000 3/58956 630.0 5.113 5.113 1.912 0.000 -0.000 -0.000 3/58956 640.0 5.030 5.030 1.882 0.000 -0.000 -0.000 3/58956 650.0 4.950 4.950 1.853 0.000 -0.000 -0.000 3/58956 660.0 4.873 4.873 1.824 0.000 -0.000 -0.000 3/58956 670.0 4.798 4.798 1.797 0.000 -0.000 -0.000 3/58956 680.0 4.725 4.725 1.770 0.000 -0.000 -0.000 3/58956 690.0 4.655 4.655 1.744 0.000 -0.000 -0.000 3/58956 700.0 4.587 4.587 1.719 0.000 -0.000 -0.000 3/58956 710.0 4.520 4.520 1.694 0.000 -0.000 -0.000 3/58956 720.0 4.456 4.456 1.670 0.000 -0.000 -0.000 3/58956 730.0 4.393 4.393 1.647 0.000 -0.000 -0.000 3/58956 740.0 4.332 4.332 1.625 0.000 -0.000 -0.000 3/58956 750.0 4.273 4.273 1.603 0.000 -0.000 -0.000 3/58956 760.0 4.216 4.216 1.582 0.000 -0.000 -0.000 3/58956 770.0 4.160 4.160 1.561 0.000 -0.000 -0.000 3/58956 780.0 4.105 4.105 1.541 0.000 -0.000 -0.000 3/58956 790.0 4.052 4.052 1.521 0.000 -0.000 -0.000 3/58956 800.0 4.000 4.000 1.502 0.000 -0.000 -0.000 3/58956 810.0 3.950 3.950 1.483 0.000 -0.000 -0.000 3/58956 820.0 3.901 3.901 1.465 0.000 -0.000 -0.000 3/58956 830.0 3.853 3.853 1.447 0.000 -0.000 -0.000 3/58956 840.0 3.806 3.806 1.430 0.000 -0.000 -0.000 3/58956 850.0 3.761 3.761 1.413 0.000 -0.000 -0.000 3/58956 860.0 3.716 3.716 1.396 0.000 -0.000 -0.000 3/58956 870.0 3.673 3.673 1.380 0.000 -0.000 -0.000 3/58956 880.0 3.630 3.630 1.364 0.000 -0.000 -0.000 3/58956 890.0 3.589 3.589 1.349 0.000 -0.000 -0.000 3/58956 900.0 3.548 3.548 1.334 0.000 -0.000 -0.000 3/58956 910.0 3.509 3.509 1.319 0.000 -0.000 -0.000 3/58956 920.0 3.470 3.470 1.305 0.000 -0.000 -0.000 3/58956 930.0 3.432 3.432 1.291 0.000 -0.000 -0.000 3/58956 940.0 3.395 3.395 1.277 0.000 -0.000 -0.000 3/58956 950.0 3.359 3.359 1.263 0.000 -0.000 -0.000 3/58956 960.0 3.323 3.323 1.250 0.000 -0.000 -0.000 3/58956 970.0 3.288 3.288 1.237 0.000 -0.000 -0.000 3/58956 980.0 3.254 3.254 1.224 0.000 -0.000 -0.000 3/58956 990.0 3.221 3.221 1.212 0.000 -0.000 -0.000 3/58956 1000.0 3.189 3.189 1.200 0.000 -0.000 -0.000 3/58956 Thermal conductivity related properties were written into "kappa-m171717.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:13:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|