----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:23:18]------------------------- 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 1.705500893834992 0.984671400158778 6.460743203333326 b -1.705500893834989 0.984671400158778 6.460743203333326 c 0.000000000000002 -1.969342800317559 6.460743203333326 Atomic positions (fractional): *1 O 0.77578091516964 0.77578091516964 0.77578091516964 15.999 2 O 0.22421908483036 0.22421908483037 0.22421908483036 15.999 *3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 *4 Tm 0.50000000000000 0.50000000000000 0.50000000000000 168.934 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.411001787669982 0.000000000000000 0.000000000000000 b -1.705500893834991 2.954014200476338 0.000000000000000 c 0.000000000000000 0.000000000000000 19.382229610000000 Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.77578091516964 15.999 > 1 2 O 0.33333333333333 0.66666666666667 0.89088575149703 15.999 > 2 3 O 0.66666666666667 0.33333333333333 0.10911424850297 15.999 > 1 4 O 0.00000000000000 0.00000000000000 0.22421908483036 15.999 > 2 5 O 0.33333333333333 0.66666666666667 0.44244758183631 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.55755241816370 15.999 > 2 *7 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 8 Rb 0.66666666666667 0.33333333333333 0.33333333333333 85.468 > 3 9 Rb 0.33333333333333 0.66666666666667 0.66666666666667 85.468 > 3 *10 Tm 0.66666666666667 0.33333333333333 0.83333333333333 168.934 > 4 11 Tm 0.33333333333333 0.66666666666667 0.16666666666667 168.934 > 4 12 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.233005363009946 0.000000000000000 0.000000000000000 b -5.116502681504973 8.862042601429014 0.000000000000000 c 0.000000000000000 0.000000000000000 19.382229610000000 Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.77578091516964 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.77578091516964 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.77578091516964 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.77578091516964 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.77578091516964 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.77578091516964 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.77578091516964 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.77578091516964 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.77578091516964 15.999 > 1 10 O 0.11111111111111 0.22222222222222 0.89088575149703 15.999 > 2 11 O 0.44444444444444 0.22222222222222 0.89088575149703 15.999 > 2 12 O 0.77777777777778 0.22222222222222 0.89088575149703 15.999 > 2 13 O 0.11111111111111 0.55555555555556 0.89088575149703 15.999 > 2 14 O 0.44444444444444 0.55555555555556 0.89088575149703 15.999 > 2 15 O 0.77777777777778 0.55555555555556 0.89088575149703 15.999 > 2 16 O 0.11111111111111 0.88888888888889 0.89088575149703 15.999 > 2 17 O 0.44444444444444 0.88888888888889 0.89088575149703 15.999 > 2 18 O 0.77777777777778 0.88888888888889 0.89088575149703 15.999 > 2 19 O 0.22222222222222 0.11111111111111 0.10911424850297 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.10911424850297 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.10911424850297 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.10911424850297 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.10911424850297 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.10911424850297 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.10911424850297 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.10911424850297 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.10911424850297 15.999 > 1 28 O 0.00000000000000 0.00000000000000 0.22421908483036 15.999 > 2 29 O 0.33333333333333 0.00000000000000 0.22421908483036 15.999 > 2 30 O 0.66666666666667 0.00000000000000 0.22421908483036 15.999 > 2 31 O 0.00000000000000 0.33333333333333 0.22421908483036 15.999 > 2 32 O 0.33333333333333 0.33333333333333 0.22421908483036 15.999 > 2 33 O 0.66666666666667 0.33333333333333 0.22421908483036 15.999 > 2 34 O 0.00000000000000 0.66666666666667 0.22421908483036 15.999 > 2 35 O 0.33333333333333 0.66666666666667 0.22421908483036 15.999 > 2 36 O 0.66666666666667 0.66666666666667 0.22421908483036 15.999 > 2 37 O 0.11111111111111 0.22222222222222 0.44244758183631 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.44244758183631 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.44244758183631 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.44244758183631 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.44244758183631 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.44244758183631 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.44244758183631 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.44244758183631 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.44244758183631 15.999 > 1 46 O 0.22222222222222 0.11111111111111 0.55755241816370 15.999 > 2 47 O 0.55555555555556 0.11111111111111 0.55755241816370 15.999 > 2 48 O 0.88888888888889 0.11111111111111 0.55755241816370 15.999 > 2 49 O 0.22222222222222 0.44444444444444 0.55755241816370 15.999 > 2 50 O 0.55555555555556 0.44444444444444 0.55755241816370 15.999 > 2 51 O 0.88888888888889 0.44444444444444 0.55755241816370 15.999 > 2 52 O 0.22222222222222 0.77777777777778 0.55755241816370 15.999 > 2 53 O 0.55555555555556 0.77777777777778 0.55755241816370 15.999 > 2 54 O 0.88888888888889 0.77777777777778 0.55755241816370 15.999 > 2 *55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 3 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 3 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 3 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 3 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 3 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 3 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 3 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 3 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 3 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 3 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 3 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 3 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 3 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 3 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 3 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 3 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 3 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 3 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 3 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 3 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 3 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 3 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 3 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 3 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 3 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 3 *82 Tm 0.22222222222222 0.11111111111111 0.83333333333333 168.934 > 4 83 Tm 0.55555555555556 0.11111111111111 0.83333333333333 168.934 > 4 84 Tm 0.88888888888889 0.11111111111111 0.83333333333333 168.934 > 4 85 Tm 0.22222222222222 0.44444444444444 0.83333333333333 168.934 > 4 86 Tm 0.55555555555556 0.44444444444444 0.83333333333333 168.934 > 4 87 Tm 0.88888888888889 0.44444444444444 0.83333333333333 168.934 > 4 88 Tm 0.22222222222222 0.77777777777778 0.83333333333333 168.934 > 4 89 Tm 0.55555555555556 0.77777777777778 0.83333333333333 168.934 > 4 90 Tm 0.88888888888889 0.77777777777778 0.83333333333333 168.934 > 4 91 Tm 0.11111111111111 0.22222222222222 0.16666666666667 168.934 > 4 92 Tm 0.44444444444444 0.22222222222222 0.16666666666667 168.934 > 4 93 Tm 0.77777777777778 0.22222222222222 0.16666666666667 168.934 > 4 94 Tm 0.11111111111111 0.55555555555556 0.16666666666667 168.934 > 4 95 Tm 0.44444444444444 0.55555555555556 0.16666666666667 168.934 > 4 96 Tm 0.77777777777778 0.55555555555556 0.16666666666667 168.934 > 4 97 Tm 0.11111111111111 0.88888888888889 0.16666666666667 168.934 > 4 98 Tm 0.44444444444444 0.88888888888889 0.16666666666667 168.934 > 4 99 Tm 0.77777777777778 0.88888888888889 0.16666666666667 168.934 > 4 100 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 4 101 Tm 0.33333333333333 0.00000000000000 0.50000000000000 168.934 > 4 102 Tm 0.66666666666667 0.00000000000000 0.50000000000000 168.934 > 4 103 Tm 0.00000000000000 0.33333333333333 0.50000000000000 168.934 > 4 104 Tm 0.33333333333333 0.33333333333333 0.50000000000000 168.934 > 4 105 Tm 0.66666666666667 0.33333333333333 0.50000000000000 168.934 > 4 106 Tm 0.00000000000000 0.66666666666667 0.50000000000000 168.934 > 4 107 Tm 0.33333333333333 0.66666666666667 0.50000000000000 168.934 > 4 108 Tm 0.66666666666667 0.66666666666667 0.50000000000000 168.934 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8968971 0.0000000 0.0000000 -0.0000000 3.8968971 0.0000000 0.0000000 0.0000000 3.5551305 -------------------------- Born effective charges -------------------------- 1 O -2.6164261 -0.0000000 0.0000000 -0.0000000 -2.6164261 0.0000000 0.0000000 0.0000000 -2.1293300 2 O -2.6164261 -0.0000000 0.0000000 -0.0000000 -2.6164261 0.0000000 0.0000000 0.0000000 -2.1293300 3 Rb 1.0786723 0.0000000 0.0000000 0.0000000 1.0786723 0.0000000 0.0000000 0.0000000 1.7594880 4 Tm 4.1541798 0.0000000 0.0000000 -0.0000000 4.1541798 0.0000000 0.0000000 0.0000000 2.4991719 ---------------------------------------------------------------------------- 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: 169 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 80 / 80 - Time: 0.189 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.199 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) 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: 169 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:23:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:23:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.705500893834992 0.984671400158778 6.460743203333326 b -1.705500893834989 0.984671400158778 6.460743203333326 c 0.000000000000002 -1.969342800317559 6.460743203333326 Atomic positions (fractional): 1 O 0.77578091516964 0.77578091516964 0.77578091516964 15.999 2 O 0.22421908483036 0.22421908483037 0.22421908483036 15.999 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Tm 0.50000000000000 0.50000000000000 0.50000000000000 168.934 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.233005363009946 0.000000000000000 0.000000000000000 b -5.116502681504973 8.862042601429014 0.000000000000000 c 0.000000000000000 0.000000000000000 19.382229610000000 Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.77578091516964 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.77578091516964 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.77578091516964 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.77578091516964 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.77578091516964 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.77578091516964 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.77578091516964 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.77578091516964 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.77578091516964 15.999 > 1 10 O 0.11111111111111 0.22222222222222 0.89088575149703 15.999 > 10 11 O 0.44444444444444 0.22222222222222 0.89088575149703 15.999 > 10 12 O 0.77777777777778 0.22222222222222 0.89088575149703 15.999 > 10 13 O 0.11111111111111 0.55555555555556 0.89088575149703 15.999 > 10 14 O 0.44444444444444 0.55555555555556 0.89088575149703 15.999 > 10 15 O 0.77777777777778 0.55555555555556 0.89088575149703 15.999 > 10 16 O 0.11111111111111 0.88888888888889 0.89088575149703 15.999 > 10 17 O 0.44444444444444 0.88888888888889 0.89088575149703 15.999 > 10 18 O 0.77777777777778 0.88888888888889 0.89088575149703 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.10911424850297 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.10911424850297 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.10911424850297 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.10911424850297 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.10911424850297 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.10911424850297 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.10911424850297 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.10911424850297 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.10911424850297 15.999 > 1 28 O 0.00000000000000 0.00000000000000 0.22421908483036 15.999 > 10 29 O 0.33333333333333 0.00000000000000 0.22421908483036 15.999 > 10 30 O 0.66666666666667 0.00000000000000 0.22421908483036 15.999 > 10 31 O 0.00000000000000 0.33333333333333 0.22421908483036 15.999 > 10 32 O 0.33333333333333 0.33333333333333 0.22421908483036 15.999 > 10 33 O 0.66666666666667 0.33333333333333 0.22421908483036 15.999 > 10 34 O 0.00000000000000 0.66666666666667 0.22421908483036 15.999 > 10 35 O 0.33333333333333 0.66666666666667 0.22421908483036 15.999 > 10 36 O 0.66666666666667 0.66666666666667 0.22421908483036 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.44244758183631 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.44244758183631 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.44244758183631 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.44244758183631 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.44244758183631 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.44244758183631 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.44244758183631 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.44244758183631 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.44244758183631 15.999 > 1 46 O 0.22222222222222 0.11111111111111 0.55755241816370 15.999 > 10 47 O 0.55555555555556 0.11111111111111 0.55755241816370 15.999 > 10 48 O 0.88888888888889 0.11111111111111 0.55755241816370 15.999 > 10 49 O 0.22222222222222 0.44444444444444 0.55755241816370 15.999 > 10 50 O 0.55555555555556 0.44444444444444 0.55755241816370 15.999 > 10 51 O 0.88888888888889 0.44444444444444 0.55755241816370 15.999 > 10 52 O 0.22222222222222 0.77777777777778 0.55755241816370 15.999 > 10 53 O 0.55555555555556 0.77777777777778 0.55755241816370 15.999 > 10 54 O 0.88888888888889 0.77777777777778 0.55755241816370 15.999 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Tm 0.22222222222222 0.11111111111111 0.83333333333333 168.934 > 82 83 Tm 0.55555555555556 0.11111111111111 0.83333333333333 168.934 > 82 84 Tm 0.88888888888889 0.11111111111111 0.83333333333333 168.934 > 82 85 Tm 0.22222222222222 0.44444444444444 0.83333333333333 168.934 > 82 86 Tm 0.55555555555556 0.44444444444444 0.83333333333333 168.934 > 82 87 Tm 0.88888888888889 0.44444444444444 0.83333333333333 168.934 > 82 88 Tm 0.22222222222222 0.77777777777778 0.83333333333333 168.934 > 82 89 Tm 0.55555555555556 0.77777777777778 0.83333333333333 168.934 > 82 90 Tm 0.88888888888889 0.77777777777778 0.83333333333333 168.934 > 82 91 Tm 0.11111111111111 0.22222222222222 0.16666666666667 168.934 > 82 92 Tm 0.44444444444444 0.22222222222222 0.16666666666667 168.934 > 82 93 Tm 0.77777777777778 0.22222222222222 0.16666666666667 168.934 > 82 94 Tm 0.11111111111111 0.55555555555556 0.16666666666667 168.934 > 82 95 Tm 0.44444444444444 0.55555555555556 0.16666666666667 168.934 > 82 96 Tm 0.77777777777778 0.55555555555556 0.16666666666667 168.934 > 82 97 Tm 0.11111111111111 0.88888888888889 0.16666666666667 168.934 > 82 98 Tm 0.44444444444444 0.88888888888889 0.16666666666667 168.934 > 82 99 Tm 0.77777777777778 0.88888888888889 0.16666666666667 168.934 > 82 100 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 82 101 Tm 0.33333333333333 0.00000000000000 0.50000000000000 168.934 > 82 102 Tm 0.66666666666667 0.00000000000000 0.50000000000000 168.934 > 82 103 Tm 0.00000000000000 0.33333333333333 0.50000000000000 168.934 > 82 104 Tm 0.33333333333333 0.33333333333333 0.50000000000000 168.934 > 82 105 Tm 0.66666666666667 0.33333333333333 0.50000000000000 168.934 > 82 106 Tm 0.00000000000000 0.66666666666667 0.50000000000000 168.934 > 82 107 Tm 0.33333333333333 0.66666666666667 0.50000000000000 168.934 > 82 108 Tm 0.66666666666667 0.66666666666667 0.50000000000000 168.934 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8968971 0.0000000 0.0000000 -0.0000000 3.8968971 0.0000000 0.0000000 0.0000000 3.5551305 -------------------------- Born effective charges -------------------------- 1 O -2.6164261 -0.0000000 0.0000000 -0.0000000 -2.6164261 0.0000000 0.0000000 0.0000000 -2.1293300 2 O -2.6164261 -0.0000000 0.0000000 -0.0000000 -2.6164261 0.0000000 0.0000000 0.0000000 -2.1293300 3 Rb 1.0786723 0.0000000 0.0000000 0.0000000 1.0786723 0.0000000 0.0000000 0.0000000 1.7594880 4 Tm 4.1541798 0.0000000 0.0000000 -0.0000000 4.1541798 0.0000000 0.0000000 0.0000000 2.4991719 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yzy) -0.00000000 (yzy) -0.00000000 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:23:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:23:28]------------------------- 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 1.705500893834992 0.984671400158778 6.460743203333326 b -1.705500893834989 0.984671400158778 6.460743203333326 c 0.000000000000002 -1.969342800317559 6.460743203333326 Atomic positions (fractional): 1 O 0.77578091516964 0.77578091516964 0.77578091516964 15.999 2 O 0.22421908483036 0.22421908483037 0.22421908483036 15.999 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Tm 0.50000000000000 0.50000000000000 0.50000000000000 168.934 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.233005363009946 0.000000000000000 0.000000000000000 b -5.116502681504973 8.862042601429014 0.000000000000000 c 0.000000000000000 0.000000000000000 19.382229610000000 Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.77578091516964 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.77578091516964 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.77578091516964 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.77578091516964 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.77578091516964 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.77578091516964 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.77578091516964 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.77578091516964 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.77578091516964 15.999 > 1 10 O 0.11111111111111 0.22222222222222 0.89088575149703 15.999 > 10 11 O 0.44444444444444 0.22222222222222 0.89088575149703 15.999 > 10 12 O 0.77777777777778 0.22222222222222 0.89088575149703 15.999 > 10 13 O 0.11111111111111 0.55555555555556 0.89088575149703 15.999 > 10 14 O 0.44444444444444 0.55555555555556 0.89088575149703 15.999 > 10 15 O 0.77777777777778 0.55555555555556 0.89088575149703 15.999 > 10 16 O 0.11111111111111 0.88888888888889 0.89088575149703 15.999 > 10 17 O 0.44444444444444 0.88888888888889 0.89088575149703 15.999 > 10 18 O 0.77777777777778 0.88888888888889 0.89088575149703 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.10911424850297 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.10911424850297 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.10911424850297 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.10911424850297 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.10911424850297 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.10911424850297 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.10911424850297 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.10911424850297 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.10911424850297 15.999 > 1 28 O 0.00000000000000 0.00000000000000 0.22421908483036 15.999 > 10 29 O 0.33333333333333 0.00000000000000 0.22421908483036 15.999 > 10 30 O 0.66666666666667 0.00000000000000 0.22421908483036 15.999 > 10 31 O 0.00000000000000 0.33333333333333 0.22421908483036 15.999 > 10 32 O 0.33333333333333 0.33333333333333 0.22421908483036 15.999 > 10 33 O 0.66666666666667 0.33333333333333 0.22421908483036 15.999 > 10 34 O 0.00000000000000 0.66666666666667 0.22421908483036 15.999 > 10 35 O 0.33333333333333 0.66666666666667 0.22421908483036 15.999 > 10 36 O 0.66666666666667 0.66666666666667 0.22421908483036 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.44244758183631 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.44244758183631 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.44244758183631 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.44244758183631 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.44244758183631 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.44244758183631 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.44244758183631 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.44244758183631 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.44244758183631 15.999 > 1 46 O 0.22222222222222 0.11111111111111 0.55755241816370 15.999 > 10 47 O 0.55555555555556 0.11111111111111 0.55755241816370 15.999 > 10 48 O 0.88888888888889 0.11111111111111 0.55755241816370 15.999 > 10 49 O 0.22222222222222 0.44444444444444 0.55755241816370 15.999 > 10 50 O 0.55555555555556 0.44444444444444 0.55755241816370 15.999 > 10 51 O 0.88888888888889 0.44444444444444 0.55755241816370 15.999 > 10 52 O 0.22222222222222 0.77777777777778 0.55755241816370 15.999 > 10 53 O 0.55555555555556 0.77777777777778 0.55755241816370 15.999 > 10 54 O 0.88888888888889 0.77777777777778 0.55755241816370 15.999 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Tm 0.22222222222222 0.11111111111111 0.83333333333333 168.934 > 82 83 Tm 0.55555555555556 0.11111111111111 0.83333333333333 168.934 > 82 84 Tm 0.88888888888889 0.11111111111111 0.83333333333333 168.934 > 82 85 Tm 0.22222222222222 0.44444444444444 0.83333333333333 168.934 > 82 86 Tm 0.55555555555556 0.44444444444444 0.83333333333333 168.934 > 82 87 Tm 0.88888888888889 0.44444444444444 0.83333333333333 168.934 > 82 88 Tm 0.22222222222222 0.77777777777778 0.83333333333333 168.934 > 82 89 Tm 0.55555555555556 0.77777777777778 0.83333333333333 168.934 > 82 90 Tm 0.88888888888889 0.77777777777778 0.83333333333333 168.934 > 82 91 Tm 0.11111111111111 0.22222222222222 0.16666666666667 168.934 > 82 92 Tm 0.44444444444444 0.22222222222222 0.16666666666667 168.934 > 82 93 Tm 0.77777777777778 0.22222222222222 0.16666666666667 168.934 > 82 94 Tm 0.11111111111111 0.55555555555556 0.16666666666667 168.934 > 82 95 Tm 0.44444444444444 0.55555555555556 0.16666666666667 168.934 > 82 96 Tm 0.77777777777778 0.55555555555556 0.16666666666667 168.934 > 82 97 Tm 0.11111111111111 0.88888888888889 0.16666666666667 168.934 > 82 98 Tm 0.44444444444444 0.88888888888889 0.16666666666667 168.934 > 82 99 Tm 0.77777777777778 0.88888888888889 0.16666666666667 168.934 > 82 100 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 82 101 Tm 0.33333333333333 0.00000000000000 0.50000000000000 168.934 > 82 102 Tm 0.66666666666667 0.00000000000000 0.50000000000000 168.934 > 82 103 Tm 0.00000000000000 0.33333333333333 0.50000000000000 168.934 > 82 104 Tm 0.33333333333333 0.33333333333333 0.50000000000000 168.934 > 82 105 Tm 0.66666666666667 0.33333333333333 0.50000000000000 168.934 > 82 106 Tm 0.00000000000000 0.66666666666667 0.50000000000000 168.934 > 82 107 Tm 0.33333333333333 0.66666666666667 0.50000000000000 168.934 > 82 108 Tm 0.66666666666667 0.66666666666667 0.50000000000000 168.934 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8968971 0.0000000 0.0000000 -0.0000000 3.8968971 0.0000000 0.0000000 0.0000000 3.5551305 -------------------------- Born effective charges -------------------------- 1 O -2.6164261 -0.0000000 0.0000000 -0.0000000 -2.6164261 0.0000000 0.0000000 0.0000000 -2.1293300 2 O -2.6164261 -0.0000000 0.0000000 -0.0000000 -2.6164261 0.0000000 0.0000000 0.0000000 -2.1293300 3 Rb 1.0786723 0.0000000 0.0000000 0.0000000 1.0786723 0.0000000 0.0000000 0.0000000 1.7594880 4 Tm 4.1541798 0.0000000 0.0000000 -0.0000000 4.1541798 0.0000000 0.0000000 0.0000000 2.4991719 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yzy) -0.00000000 (yzy) -0.00000000 (yyz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 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: 1.03, Number of G-points: 301, 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: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 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 2.137 ( 0.000 0.000 0.000) 0.000 2.137 ( 0.000 0.000 0.000) 0.000 4.467 ( 0.000 0.000 0.000) 0.000 7.235 ( 0.000 0.000 0.000) 0.000 7.235 ( 0.000 0.000 0.000) 0.000 10.085 ( 0.000 0.000 0.000) 0.000 11.143 ( 0.000 0.000 0.000) 0.000 11.143 ( 0.000 0.000 0.000) 0.000 14.528 ( 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: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 19.238 11.107 6.926) 23.269 0.572 ( 24.599 14.202 -0.986) 28.421 1.047 ( 43.591 25.167 6.840) 50.797 2.168 ( 2.779 1.604 -0.550) 3.255 2.296 ( 12.019 6.939 -0.316) 13.882 4.465 ( -1.280 -0.739 3.556) 3.851 7.294 ( 5.127 2.960 0.337) 5.929 9.826 ( -14.432 -8.332 -12.463) 20.810 11.110 ( -2.757 -1.591 -0.009) 3.183 11.306 ( 14.001 8.083 -18.430) 24.516 14.237 ( -19.536 -11.279 3.958) 22.903 15.060 ( 9.833 5.677 -4.386) 12.171 ======================= Grid point 2 (3/489) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 18.930 10.929 5.015) 22.426 1.114 ( 22.467 12.971 -0.611) 25.950 2.006 ( 36.625 21.146 6.477) 42.784 2.261 ( 5.521 3.188 -1.027) 6.458 2.697 ( 23.255 13.426 -0.453) 26.857 4.435 ( -1.874 -1.082 -0.178) 2.172 7.471 ( 10.091 5.826 0.394) 11.659 9.409 ( -18.864 -10.891 0.775) 21.796 11.021 ( -4.855 -2.803 0.056) 5.606 11.576 ( 13.455 7.768 -20.802) 25.964 13.753 ( -23.629 -13.642 9.274) 28.818 15.217 ( 4.710 2.719 -4.799) 7.253 ======================= Grid point 3 (4/489) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 18.147 10.477 3.337) 21.219 1.587 ( 18.419 10.634 -0.147) 21.268 2.417 ( 8.391 4.845 -1.339) 9.782 2.712 ( 23.786 13.733 4.463) 27.826 3.368 ( 33.684 19.447 0.027) 38.895 4.376 ( -2.964 -1.711 -1.833) 3.882 7.755 ( 14.403 8.315 0.025) 16.631 9.008 ( -15.320 -8.845 -0.443) 17.695 10.896 ( -5.835 -3.369 0.266) 6.742 11.763 ( 7.733 4.465 -20.132) 22.023 13.226 ( -25.204 -14.552 16.101) 33.260 15.249 ( -0.137 -0.079 -7.001) 7.003 ======================= Grid point 4 (5/489) ======================= q-point: ( 0.24 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 16.636 9.605 2.869) 19.423 1.949 ( 12.967 7.486 0.118) 14.973 2.637 ( 10.937 6.314 -1.312) 12.697 3.185 ( 17.297 9.986 1.805) 20.054 4.123 ( 26.363 15.221 -5.530) 30.939 4.310 ( 1.813 1.047 3.528) 4.102 8.121 ( 17.171 9.913 -0.722) 19.840 8.729 ( -7.823 -4.517 -4.530) 10.105 10.764 ( -5.562 -3.211 0.666) 6.457 11.787 ( -0.667 -0.385 -20.951) 20.965 12.708 ( -24.716 -14.270 23.336) 36.865 15.188 ( -2.495 -1.441 -8.790) 9.250 ======================= Grid point 5 (6/489) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 14.464 8.351 3.625) 17.090 2.191 ( 8.413 4.857 0.081) 9.715 2.895 ( 11.243 6.491 -0.952) 13.018 3.529 ( 12.564 7.254 -2.342) 14.696 4.135 ( -5.398 -3.116 -2.878) 6.865 4.858 ( 26.096 15.066 2.678) 30.252 8.521 ( 17.433 10.065 -1.619) 20.195 8.636 ( 1.662 0.960 -8.135) 8.358 10.653 ( -4.253 -2.455 1.221) 5.060 11.593 ( -10.873 -6.278 -18.650) 22.482 12.244 ( -21.892 -12.639 24.109) 34.932 15.106 ( -1.819 -1.050 -8.600) 8.853 ======================= Grid point 6 (7/489) ======================= q-point: ( 0.35 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 5.434 3.137 -0.011) 6.275 2.461 ( 12.170 7.026 4.839) 14.862 3.130 ( 9.100 5.254 -0.569) 10.523 3.712 ( 3.172 1.831 -10.979) 11.573 4.030 ( -1.895 -1.094 5.388) 5.815 5.387 ( 19.225 11.100 1.343) 22.240 8.755 ( 10.878 6.280 -9.896) 15.990 8.890 ( 14.726 8.502 -2.261) 17.154 10.580 ( -2.409 -1.391 1.700) 3.260 11.198 ( -19.432 -11.219 -7.260) 23.584 11.843 ( -17.829 -10.294 13.035) 24.367 15.065 ( 0.183 0.106 -6.398) 6.402 ======================= Grid point 7 (8/489) ======================= q-point: ( 0.41 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 3.149 1.818 -0.040) 3.636 2.734 ( 10.237 5.910 5.623) 13.090 3.300 ( 5.749 3.319 -0.291) 6.644 3.603 ( -7.153 -4.130 -10.406) 13.286 4.097 ( 3.959 2.286 4.564) 6.460 5.748 ( 11.846 6.839 0.648) 13.694 9.064 ( 18.244 10.533 -9.816) 23.241 9.166 ( 9.556 5.517 -2.107) 11.234 10.550 ( -0.779 -0.450 1.633) 1.864 10.679 ( -24.676 -14.246 2.943) 28.645 11.520 ( -11.782 -6.803 2.825) 13.895 15.069 ( 1.213 0.700 -3.584) 3.848 ======================= Grid point 8 (9/489) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 1.041 0.601 -0.019) 1.202 2.953 ( 6.381 3.684 4.122) 8.442 3.389 ( 1.953 1.127 -0.089) 2.257 3.408 ( -5.987 -3.457 -5.437) 8.795 4.177 ( 1.762 1.017 1.295) 2.411 5.932 ( 4.039 2.332 0.195) 4.668 9.310 ( 3.244 1.873 -0.877) 3.847 9.513 ( 22.095 12.756 -8.312) 26.833 10.112 ( -24.617 -14.213 6.680) 29.200 10.546 ( -0.062 -0.036 0.693) 0.696 11.339 ( -4.051 -2.339 -0.058) 4.678 15.085 ( 0.637 0.368 -1.112) 1.333 ======================= Grid point 18 (10/489) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 0.000 20.716 19.674) 28.570 0.616 ( 0.000 27.741 8.333) 28.966 1.032 ( -0.000 49.495 4.105) 49.665 2.167 ( -0.000 3.250 -0.810) 3.349 2.291 ( -0.000 13.864 -1.285) 13.923 4.479 ( 0.000 -3.507 6.194) 7.118 7.296 ( -0.000 5.945 0.651) 5.980 9.724 ( -0.000 -6.493 -33.234) 33.862 11.108 ( 0.000 -3.274 -0.546) 3.319 11.300 ( -0.000 18.198 -17.510) 25.254 14.240 ( 0.000 -23.402 4.472) 23.825 15.033 ( -0.000 12.811 -9.253) 15.803 ======================= Grid point 19 (11/489) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 7.895 18.860 14.433) 25.026 1.030 ( 11.235 24.646 4.121) 27.398 1.765 ( 24.571 37.564 6.377) 45.338 2.231 ( 2.914 5.287 -1.304) 6.176 2.555 ( 11.592 19.524 -1.347) 22.746 4.447 ( -1.263 -2.332 0.604) 2.720 7.415 ( 5.002 8.833 0.924) 10.193 9.500 ( -7.194 -16.651 -5.239) 18.880 11.032 ( -2.628 -4.795 -1.211) 5.601 11.470 ( 4.971 17.457 -23.009) 29.306 13.903 ( -11.629 -24.127 8.130) 27.990 15.167 ( 4.068 7.154 -6.957) 10.777 ======================= Grid point 20 (12/489) ======================= q-point: ( 0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 12.582 15.838 9.209) 22.225 1.473 ( 12.697 19.858 2.097) 23.663 2.365 ( 5.389 8.205 -1.673) 9.958 2.505 ( 21.858 22.660 5.777) 32.009 3.086 ( 24.178 25.961 -0.984) 35.490 4.393 ( -2.058 -2.353 -2.188) 3.815 7.647 ( 9.665 11.469 0.865) 15.023 9.151 ( -13.026 -14.113 0.943) 19.229 10.928 ( -3.105 -5.377 -0.769) 6.257 11.639 ( 5.858 10.312 -23.920) 26.699 13.453 ( -16.574 -22.867 14.121) 31.575 15.234 ( 0.506 2.459 -7.314) 7.733 ======================= Grid point 21 (13/489) ======================= q-point: ( 0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 13.677 13.540 5.911) 20.133 1.855 ( 10.662 14.440 1.494) 18.011 2.570 ( 7.463 11.638 -1.682) 13.928 3.017 ( 16.334 13.887 3.170) 21.673 3.818 ( 28.192 24.591 -2.167) 37.473 4.323 ( -1.992 -1.873 -1.204) 2.987 7.974 ( 13.254 13.508 0.383) 18.928 8.823 ( -10.897 -8.272 -1.755) 13.793 10.818 ( -4.052 -3.810 -0.002) 5.562 11.704 ( 2.302 1.753 -23.305) 23.484 12.980 ( -18.631 -20.871 20.533) 34.703 15.196 ( -2.754 -0.307 -8.698) 9.129 ======================= Grid point 22 (14/489) ======================= q-point: ( 0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 13.320 11.078 4.708) 17.953 2.134 ( 7.208 10.318 0.942) 12.621 2.832 ( 8.083 14.047 -1.317) 16.260 3.387 ( 12.671 9.184 -0.303) 15.653 4.155 ( -1.530 -2.110 -6.892) 7.369 4.599 ( 23.900 18.897 4.766) 30.839 8.356 ( 14.495 13.577 -0.497) 19.867 8.633 ( -3.350 -1.036 -5.630) 6.633 10.718 ( -4.594 -1.247 0.683) 4.809 11.598 ( -4.362 -5.865 -21.590) 22.794 12.528 ( -19.122 -17.945 23.481) 35.200 15.105 ( -2.966 -1.508 -8.977) 9.574 ======================= Grid point 23 (15/489) ======================= q-point: ( 0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 5.597 7.522 1.662) 9.522 2.343 ( 10.771 9.293 3.644) 14.685 3.099 ( 6.254 14.482 -0.916) 15.802 3.619 ( 6.954 3.902 -7.468) 10.925 4.063 ( -2.711 -2.875 1.164) 4.119 5.172 ( 20.553 14.400 2.277) 25.199 8.606 ( 7.419 2.683 -6.950) 10.513 8.779 ( 11.900 15.166 -2.678) 19.463 10.641 ( -4.442 0.759 1.278) 4.684 11.318 ( -11.301 -10.876 -14.802) 21.566 12.102 ( -19.133 -14.014 18.149) 29.864 15.031 ( -0.363 -1.935 -7.167) 7.432 ======================= Grid point 24 (16/489) ======================= q-point: ( 0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 1.771 7.017 0.267) 7.242 2.628 ( 10.714 6.568 5.139) 13.577 3.317 ( 2.733 13.644 -0.631) 13.929 3.620 ( -2.991 -3.051 -12.672) 13.373 4.067 ( 2.706 0.444 6.323) 6.892 5.596 ( 14.645 8.709 1.316) 17.090 8.818 ( 14.991 6.072 -8.029) 18.057 9.108 ( 9.120 14.197 -2.983) 17.136 10.582 ( -3.894 0.133 1.820) 4.300 10.920 ( -17.402 -12.620 -4.439) 21.950 11.717 ( -16.468 -7.743 7.821) 19.807 15.012 ( 2.450 -2.521 -4.168) 5.453 ======================= Grid point 25 (17/489) ======================= q-point: ( 0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -0.650 6.187 0.016) 6.221 2.870 ( 8.839 4.233 4.703) 10.870 3.445 ( -3.737 2.052 -6.338) 7.639 3.464 ( -3.805 5.723 -3.488) 7.706 4.144 ( 3.092 -0.131 3.696) 4.820 5.856 ( 8.075 3.355 0.750) 8.777 9.171 ( 19.121 6.750 -5.685) 21.059 9.346 ( 5.571 11.891 -4.785) 13.976 10.389 ( -19.788 -12.132 5.135) 23.772 10.584 ( -4.838 -1.042 -0.131) 4.950 11.460 ( -10.170 0.265 1.137) 10.237 15.028 ( 3.503 -3.484 -1.302) 5.109 ======================= Grid point 26 (18/489) ======================= q-point: (-0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( -2.919 5.044 -0.117) 5.829 2.979 ( -0.974 -2.159 -1.572) 2.843 3.361 ( 2.584 1.256 -0.625) 2.940 3.504 ( -5.744 10.045 -0.038) 11.572 4.172 ( 0.369 -2.139 1.021) 2.399 5.943 ( 0.690 -1.474 0.338) 1.662 9.371 ( -2.185 4.127 -0.380) 4.685 9.597 ( 9.726 -5.075 -3.001) 11.373 9.999 ( -8.911 5.490 2.392) 10.736 10.550 ( 0.118 -0.318 0.240) 0.415 11.377 ( -3.421 5.801 -0.401) 6.746 15.045 ( 2.910 -4.326 1.100) 5.329 ======================= Grid point 27 (19/489) ======================= q-point: (-0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( -4.973 3.482 -0.216) 6.075 2.823 ( -8.571 -5.434 -5.572) 11.578 3.458 ( -9.663 7.483 0.301) 12.225 3.526 ( 9.102 4.150 6.172) 11.754 4.119 ( -2.915 -3.717 -1.718) 5.026 5.852 ( -7.211 -5.469 -0.042) 9.050 9.216 ( -12.179 -11.591 3.973) 17.276 9.392 ( -14.596 -0.698 5.171) 15.501 10.340 ( 21.552 11.954 -5.668) 25.288 10.583 ( 2.717 4.640 -0.253) 5.383 11.448 ( 4.060 7.756 -1.394) 8.865 15.050 ( 1.935 -4.291 3.359) 5.783 ======================= Grid point 28 (20/489) ======================= q-point: (-0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( -6.835 1.485 -0.397) 7.005 2.582 ( -10.946 -5.417 -4.845) 13.138 3.322 ( -13.156 4.679 0.485) 13.972 3.728 ( 5.533 1.557 10.894) 12.318 4.008 ( -2.780 -2.829 -6.413) 7.540 5.588 ( -15.236 -8.519 -0.507) 17.464 8.891 ( -11.794 -10.857 7.973) 17.903 9.136 ( -17.179 -0.926 3.144) 17.489 10.567 ( 1.974 3.735 -1.544) 4.498 10.941 ( 23.275 11.886 -0.273) 26.136 11.651 ( 11.188 7.833 -6.331) 15.054 15.057 ( 1.811 -2.868 5.652) 6.592 ======================= Grid point 29 (21/489) ======================= q-point: (-0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( -11.656 -5.539 -3.324) 13.326 2.328 ( -10.814 -0.383 -0.442) 10.830 3.107 ( -15.580 1.992 0.736) 15.724 3.677 ( -10.283 -5.766 5.161) 12.870 4.053 ( 7.577 2.544 -1.246) 8.089 5.155 ( -23.381 -10.868 -1.213) 25.812 8.668 ( -7.553 -6.789 6.520) 12.068 8.808 ( -17.962 -2.661 3.794) 18.550 10.629 ( 1.622 4.495 -1.343) 4.964 11.442 ( 20.162 7.378 11.555) 24.381 11.932 ( 16.908 7.522 -18.340) 26.053 15.098 ( 2.714 -0.481 7.401) 7.897 ======================= Grid point 30 (22/489) ======================= q-point: (-0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -16.250 -6.291 -2.055) 17.546 2.129 ( -12.592 -1.497 -0.045) 12.680 2.843 ( -16.033 0.090 0.911) 16.059 3.389 ( -15.953 -6.967 0.260) 17.410 4.205 ( 6.024 1.677 3.594) 7.213 4.563 ( -30.766 -12.189 -2.869) 33.217 8.363 ( -19.365 -6.395 1.036) 20.420 8.687 ( 1.629 1.061 6.036) 6.341 10.711 ( 3.582 3.598 -1.005) 5.176 11.788 ( 7.981 1.451 19.844) 21.438 12.306 ( 25.520 8.690 -24.886) 36.689 15.180 ( 3.268 1.332 7.488) 8.278 ======================= Grid point 31 (23/489) ======================= q-point: (-0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -19.286 -6.107 -1.079) 20.259 1.849 ( -17.802 -2.623 0.247) 17.996 2.582 ( -13.651 -0.671 0.867) 13.695 2.994 ( -21.504 -7.248 -1.753) 22.760 3.828 ( -36.985 -12.270 0.065) 38.967 4.332 ( 4.428 1.222 0.804) 4.663 7.973 ( -18.494 -5.207 0.324) 19.215 8.842 ( 11.182 4.085 2.438) 12.152 10.816 ( 5.542 1.949 -0.529) 5.899 11.880 ( -2.210 -1.378 14.105) 14.343 12.811 ( 29.367 7.886 -15.273) 34.027 15.262 ( 1.723 1.325 5.601) 6.008 ======================= Grid point 32 (24/489) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -21.552 -4.900 -0.865) 22.119 1.467 ( -23.570 -2.228 0.612) 23.683 2.375 ( -9.724 -0.644 0.531) 9.760 2.467 ( -32.058 -6.904 -2.486) 32.887 3.090 ( -34.291 -7.554 -0.096) 35.114 4.405 ( 2.747 0.503 0.554) 2.847 7.643 ( -14.870 -2.909 -0.033) 15.152 9.146 ( 18.259 4.122 -0.194) 18.719 10.931 ( 6.367 0.461 -0.096) 6.384 11.795 ( -9.707 -1.440 9.027) 13.333 13.354 ( 29.303 5.140 -6.578) 30.468 15.281 ( -2.233 0.063 2.728) 3.526 ======================= Grid point 33 (25/489) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -22.658 0.000 0.000) 22.658 1.011 ( -27.571 0.000 0.000) 27.571 1.736 ( -45.702 0.000 0.000) 45.702 2.237 ( -6.015 0.000 0.000) 6.015 2.561 ( -22.671 0.000 0.000) 22.671 4.444 ( 1.474 -0.000 -0.000) 1.474 7.411 ( -10.167 0.000 0.000) 10.167 9.524 ( 22.060 -0.000 -0.000) 22.060 11.038 ( 5.532 -0.000 -0.000) 5.532 11.583 ( -15.307 0.000 0.000) 15.307 13.862 ( 27.056 -0.000 -0.000) 27.056 15.200 ( -7.311 0.000 0.000) 7.311 ======================= Grid point 36 (26/489) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 0.000 20.126 17.305) 26.543 1.192 ( 0.000 24.836 7.408) 25.917 1.984 ( -0.000 41.991 4.567) 42.239 2.256 ( -0.000 6.453 -1.634) 6.656 2.682 ( -0.000 26.602 -2.074) 26.683 4.431 ( -0.000 -2.950 -0.749) 3.043 7.479 ( -0.000 11.897 1.285) 11.967 9.363 ( -0.000 -16.685 -3.961) 17.148 11.010 ( -0.000 -5.847 -1.058) 5.942 11.544 ( -0.000 16.589 -22.751) 28.157 13.748 ( 0.000 -29.027 8.370) 30.210 15.189 ( -0.000 7.734 -7.265) 10.611 ======================= Grid point 37 (27/489) ======================= q-point: ( 0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 3.086 19.337 14.030) 24.089 1.524 ( 7.382 21.285 5.481) 23.186 2.363 ( 4.233 8.960 -1.915) 10.093 2.488 ( 11.512 29.704 4.762) 32.211 3.069 ( 11.194 33.139 -2.062) 35.039 4.387 ( -1.096 -2.890 -2.678) 4.089 7.657 ( 4.704 14.607 1.536) 15.423 9.157 ( -4.943 -15.617 1.499) 16.449 10.916 ( -2.589 -5.931 -1.627) 6.673 11.623 ( 0.995 10.976 -24.774) 27.114 13.427 ( -6.462 -28.859 12.449) 32.087 15.238 ( 0.322 4.225 -6.898) 8.096 ======================= Grid point 38 (28/489) ======================= q-point: ( 0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 7.175 16.807 9.915) 20.791 1.864 ( 7.901 16.699 3.734) 18.848 2.569 ( 7.323 13.262 -1.804) 15.256 2.940 ( 11.718 18.498 3.045) 22.108 3.672 ( 19.370 31.505 -2.736) 37.084 4.328 ( -1.368 -1.861 -2.097) 3.120 7.937 ( 8.882 16.810 1.638) 19.082 8.904 ( -8.897 -10.491 1.083) 13.798 10.821 ( -1.536 -4.515 -1.283) 4.938 11.629 ( 0.281 2.562 -25.288) 25.419 13.049 ( -10.257 -26.510 17.723) 33.497 15.223 ( -2.648 1.020 -7.473) 7.993 ======================= Grid point 39 (29/489) ======================= q-point: ( 0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 9.260 13.560 6.999) 17.850 2.143 ( 6.326 12.880 2.552) 14.575 2.855 ( 8.118 17.465 -1.422) 19.312 3.287 ( 10.425 11.734 0.237) 15.698 4.110 ( 3.725 3.105 -9.283) 10.473 4.466 ( 15.306 19.493 5.709) 25.433 8.292 ( 11.037 17.297 1.423) 20.567 8.689 ( -6.508 -2.989 -2.422) 7.561 10.766 ( -1.502 -1.063 -0.268) 1.860 11.521 ( -2.240 -5.955 -23.824) 24.659 12.664 ( -12.426 -23.096 20.850) 33.504 15.132 ( -4.653 -1.048 -8.105) 9.404 ======================= Grid point 40 (30/489) ======================= q-point: ( 0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 9.687 9.720 5.926) 14.948 2.361 ( 4.412 11.810 1.380) 12.683 3.165 ( 6.372 19.361 -1.267) 20.422 3.521 ( 7.104 5.371 -5.390) 10.410 4.070 ( -1.524 -2.722 -1.685) 3.546 4.999 ( 18.451 18.069 2.933) 25.991 8.535 ( 2.361 3.442 -3.151) 5.230 8.751 ( 9.334 16.954 -1.364) 19.402 10.738 ( -3.283 3.036 0.291) 4.481 11.296 ( -5.657 -11.660 -18.967) 22.971 12.287 ( -14.049 -18.871 18.756) 30.088 15.015 ( -3.409 -2.609 -7.460) 8.607 ======================= Grid point 41 (31/489) ======================= q-point: ( 0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 5.394 7.235 3.963) 9.856 2.563 ( 5.975 11.035 2.185) 12.738 3.434 ( 3.127 17.957 -2.110) 18.349 3.583 ( 0.296 -0.190 -11.074) 11.079 4.054 ( 1.011 -0.292 5.669) 5.766 5.439 ( 14.859 10.695 1.782) 18.394 8.646 ( 8.707 5.318 -5.237) 11.468 9.103 ( 9.349 17.873 -1.309) 20.213 10.698 ( -6.015 4.233 -0.297) 7.361 10.997 ( -9.287 -12.950 -10.065) 18.848 11.927 ( -14.389 -12.134 11.757) 22.193 14.932 ( 0.298 -4.395 -5.237) 6.843 ======================= Grid point 42 (32/489) ======================= q-point: ( 0.47 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( 0.004 9.169 1.260) 9.255 2.782 ( 7.755 6.050 3.741) 10.524 3.460 ( -3.533 -3.849 -11.786) 12.892 3.648 ( -1.795 17.968 -0.471) 18.064 4.106 ( 2.196 0.038 5.530) 5.950 5.733 ( 10.360 3.934 1.184) 11.145 8.909 ( 15.927 7.054 -4.704) 18.043 9.384 ( 4.720 13.942 -2.627) 14.952 10.602 ( -8.387 1.121 -0.477) 8.475 10.666 ( -13.017 -9.837 -1.035) 16.349 11.657 ( -10.954 -1.676 4.083) 11.810 14.905 ( 3.778 -6.344 -2.327) 7.742 ======================= Grid point 43 (33/489) ======================= q-point: ( 0.53 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( -3.620 9.056 0.123) 9.754 2.939 ( 3.983 0.299 1.171) 4.162 3.345 ( -1.280 -0.540 -6.303) 6.454 3.752 ( -6.164 16.303 -0.040) 17.429 4.141 ( 0.816 -1.613 2.981) 3.486 5.881 ( 4.945 -1.523 0.785) 5.234 9.271 ( 18.721 4.546 -3.006) 19.498 9.486 ( -3.289 3.716 -2.960) 5.778 10.336 ( -18.820 5.989 4.719) 20.306 10.521 ( 0.364 -4.400 -1.626) 4.705 11.537 ( -6.992 6.137 -0.053) 9.303 14.913 ( 5.381 -7.648 0.435) 9.362 ======================= Grid point 44 (34/489) ======================= q-point: (-0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( -6.260 6.452 -0.791) 9.025 2.889 ( -5.761 -3.204 -3.975) 7.698 3.425 ( 7.891 3.704 1.787) 8.898 3.756 ( -10.853 13.831 0.483) 17.587 4.114 ( -1.662 -3.383 0.370) 3.787 5.877 ( -1.619 -5.287 0.442) 5.547 9.296 ( -8.880 -12.455 -0.078) 15.296 9.544 ( 1.531 3.972 2.711) 5.046 10.263 ( -0.260 16.748 -2.976) 17.012 10.553 ( 4.369 1.622 1.787) 4.991 11.517 ( -3.048 7.525 -2.106) 8.388 14.936 ( 5.421 -7.466 2.810) 9.645 ======================= Grid point 45 (35/489) ======================= q-point: (-0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( -7.568 0.851 -2.281) 7.950 2.720 ( -10.075 0.365 -2.908) 10.493 3.631 ( 8.521 3.417 3.943) 9.992 3.658 ( -13.741 10.343 2.409) 17.367 4.020 ( -4.124 -4.220 -2.817) 6.539 5.723 ( -9.151 -7.233 0.089) 11.665 8.994 ( -10.884 -11.826 4.299) 16.637 9.438 ( -14.968 1.236 2.991) 15.314 10.559 ( 9.425 13.741 -3.640) 17.055 10.706 ( 11.560 6.537 1.440) 13.358 11.574 ( 3.588 5.281 -4.325) 7.712 14.972 ( 5.109 -5.476 4.704) 8.844 ======================= Grid point 46 (36/489) ======================= q-point: (-0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( -9.359 -3.641 -3.242) 10.553 2.540 ( -12.207 2.936 -0.679) 12.573 3.459 ( -18.541 7.650 0.884) 20.077 3.777 ( -2.680 -3.437 9.618) 10.559 3.935 ( 4.838 0.509 -7.263) 8.742 5.418 ( -17.513 -7.755 -0.323) 19.156 8.747 ( -7.811 -7.498 5.546) 12.165 9.136 ( -20.092 -0.921 2.213) 20.234 10.691 ( -1.835 8.798 -0.644) 9.010 11.139 ( 24.487 7.229 2.894) 25.695 11.715 ( 9.925 2.776 -9.095) 13.745 15.037 ( 5.208 -2.384 5.697) 8.079 ======================= Grid point 47 (37/489) ======================= q-point: (-0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( -13.243 -3.622 -2.021) 13.877 2.347 ( -12.808 1.382 -0.171) 12.884 3.184 ( -20.101 4.256 0.774) 20.561 3.583 ( -12.728 -4.872 1.558) 13.717 4.092 ( 9.108 1.438 0.249) 9.224 4.962 ( -26.412 -7.246 -0.775) 27.399 8.592 ( -8.593 -3.547 3.002) 9.769 8.792 ( -15.403 -1.332 2.871) 15.725 10.727 ( -1.160 5.114 -0.795) 5.304 11.633 ( 20.742 3.430 16.643) 26.814 11.909 ( 16.362 2.418 -21.314) 26.978 15.135 ( 5.257 0.129 5.164) 7.371 ======================= Grid point 48 (38/489) ======================= q-point: (-0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -17.413 -2.368 -0.635) 17.584 2.118 ( -14.729 -0.016 -0.057) 14.730 2.873 ( -18.891 1.416 0.441) 18.949 3.282 ( -17.725 -3.159 -0.121) 18.005 4.243 ( 6.378 0.369 2.392) 6.822 4.369 ( -33.978 -4.884 -2.139) 34.394 8.281 ( -20.671 -2.201 0.297) 20.790 8.734 ( 4.443 0.702 2.267) 5.037 10.764 ( 2.006 1.752 -0.469) 2.704 11.889 ( 4.149 -0.499 10.175) 11.000 12.306 ( 30.180 3.281 -12.144) 32.697 15.237 ( 4.108 0.763 3.006) 5.147 ======================= Grid point 49 (39/489) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -20.628 0.000 0.000) 20.628 1.828 ( -18.998 0.000 0.000) 18.998 2.585 ( -14.783 0.000 0.000) 14.783 2.910 ( -23.537 0.000 0.000) 23.537 3.697 ( -38.793 0.000 0.000) 38.793 4.347 ( 4.517 -0.000 -0.000) 4.517 7.922 ( -18.952 0.000 0.000) 18.952 8.895 ( 12.610 -0.000 -0.000) 12.610 10.833 ( 5.002 -0.000 -0.000) 5.002 11.910 ( -2.788 0.000 0.000) 2.788 12.842 ( 31.106 -0.000 -0.000) 31.106 15.295 ( 1.322 -0.000 -0.000) 1.322 ======================= Grid point 54 (40/489) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 0.000 18.058 14.187) 22.964 1.677 ( 0.000 19.416 5.886) 20.289 2.407 ( -0.000 9.998 -2.195) 10.236 2.704 ( -0.000 27.915 3.847) 28.179 3.327 ( -0.000 37.918 -2.595) 38.007 4.358 ( -0.000 -2.763 -3.223) 4.245 7.780 ( -0.000 17.177 1.671) 17.258 9.059 ( 0.000 -12.874 3.490) 13.339 10.871 ( -0.000 -7.118 -1.380) 7.251 11.628 ( -0.000 6.124 -27.514) 28.187 13.219 ( 0.000 -30.074 14.085) 33.209 15.259 ( -0.000 3.748 -6.055) 7.121 ======================= Grid point 55 (41/489) ======================= q-point: ( 0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 1.738 16.479 11.540) 20.192 1.921 ( 5.290 15.163 4.726) 16.740 2.568 ( 6.378 12.809 -1.929) 14.438 3.009 ( 4.646 21.468 2.361) 22.091 3.761 ( 7.785 33.769 -4.390) 34.932 4.326 ( -0.309 0.423 -1.371) 1.467 8.007 ( 4.597 19.110 1.859) 19.743 8.926 ( -4.277 -8.611 3.687) 10.297 10.784 ( -0.906 -6.006 -1.634) 6.290 11.564 ( -0.463 -1.197 -28.440) 28.469 12.941 ( -3.725 -28.301 17.169) 33.311 15.257 ( -1.836 1.816 -5.770) 6.321 ======================= Grid point 56 (42/489) ======================= q-point: ( 0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 4.482 13.857 8.663) 16.946 2.169 ( 6.274 11.774 3.511) 13.796 2.861 ( 10.558 16.451 -1.271) 19.589 3.281 ( 5.207 14.575 -0.588) 15.488 4.066 ( 2.823 5.507 -8.999) 10.922 4.486 ( 8.557 22.519 4.919) 24.587 8.321 ( 7.945 19.797 2.315) 21.457 8.775 ( -6.682 -2.469 0.764) 7.165 10.740 ( 1.687 -2.715 -1.173) 3.405 11.415 ( -1.809 -8.237 -26.093) 27.421 12.638 ( -6.490 -25.556 18.562) 32.245 15.189 ( -4.925 -0.117 -6.166) 7.892 ======================= Grid point 57 (43/489) ======================= q-point: ( 0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 6.257 10.374 7.014) 13.999 2.397 ( 6.016 11.203 2.285) 12.920 3.221 ( 10.029 19.302 -1.183) 21.784 3.461 ( 4.283 6.448 -5.770) 9.655 4.059 ( -0.449 -1.265 -2.317) 2.678 4.936 ( 12.634 22.038 3.065) 25.587 8.572 ( -1.155 6.458 0.185) 6.563 8.782 ( 6.279 16.601 0.059) 17.749 10.778 ( 2.591 2.470 -0.377) 3.600 11.187 ( -3.489 -13.148 -21.578) 25.508 12.324 ( -8.345 -22.529 17.057) 29.464 15.058 ( -6.475 -1.910 -6.451) 9.337 ======================= Grid point 58 (44/489) ======================= q-point: ( 0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 6.760 6.840 6.247) 11.468 2.614 ( 4.817 12.420 1.131) 13.369 3.480 ( 1.339 3.087 -9.878) 10.436 3.589 ( 6.380 15.827 -2.867) 17.304 4.059 ( 0.621 0.883 4.790) 4.910 5.331 ( 11.412 13.388 1.860) 17.690 8.603 ( 1.535 6.201 -2.246) 6.772 9.131 ( 9.027 19.498 0.926) 21.506 10.828 ( -3.947 3.430 -5.513) 7.599 10.938 ( -1.719 -10.783 -10.101) 14.875 12.015 ( -8.792 -17.750 12.860) 23.617 14.907 ( -4.757 -4.168 -5.773) 8.563 ======================= Grid point 59 (45/489) ======================= q-point: ( 0.47 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( 6.339 5.269 5.297) 9.798 2.802 ( 2.134 11.862 0.256) 12.055 3.424 ( -1.065 -3.724 -12.065) 12.672 3.824 ( 1.480 15.046 -0.318) 15.122 4.125 ( 1.018 5.706 5.653) 8.097 5.603 ( 9.302 4.578 1.263) 10.444 8.760 ( 8.796 8.313 -1.858) 12.244 9.437 ( 5.395 14.979 -0.193) 15.923 10.617 ( -5.183 -11.780 -10.429) 16.565 10.886 ( -8.892 7.293 2.235) 11.716 11.780 ( -6.033 -7.947 6.793) 12.070 14.790 ( -0.387 -7.022 -3.875) 8.029 ======================= Grid point 60 (46/489) ======================= q-point: ( 0.53 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 3.375 6.850 3.637) 8.458 2.903 ( -0.602 4.988 -1.091) 5.141 3.343 ( -1.063 -0.146 -8.776) 8.842 3.932 ( 0.075 4.608 2.178) 5.098 4.217 ( -3.714 13.390 2.208) 14.069 5.755 ( 6.991 -2.562 0.978) 7.510 9.036 ( 13.533 7.065 -1.063) 15.303 9.575 ( -1.882 5.964 -1.449) 6.420 10.440 ( 0.189 -8.958 -4.818) 10.174 10.750 ( -16.626 11.152 3.458) 20.316 11.690 ( -4.059 2.688 1.275) 5.033 14.735 ( 4.301 -9.319 -1.205) 10.334 ======================= Grid point 61 (47/489) ======================= q-point: (-0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( -6.799 2.752 -2.937) 7.901 2.928 ( 0.475 3.112 1.011) 3.306 3.363 ( 3.085 4.535 -3.056) 6.279 3.950 ( -0.243 -1.695 2.889) 3.359 4.248 ( -10.165 15.405 -0.159) 18.457 5.802 ( 3.536 -6.745 0.752) 7.653 9.239 ( 2.900 -5.609 -1.740) 6.550 9.567 ( 0.436 6.230 1.848) 6.513 10.382 ( 1.513 -5.484 -4.695) 7.376 10.665 ( -9.820 19.294 5.308) 22.290 11.655 ( -5.233 5.194 -2.318) 7.729 14.743 ( 7.310 -9.460 1.434) 12.041 ======================= Grid point 62 (48/489) ======================= q-point: (-0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( -7.442 -2.284 -3.635) 8.591 2.916 ( -7.980 6.674 -0.194) 10.405 3.505 ( 8.486 3.202 0.757) 9.102 3.913 ( -2.538 -2.653 2.581) 4.488 4.166 ( -14.831 11.879 -1.582) 19.067 5.747 ( -1.895 -7.555 0.464) 7.803 9.058 ( -8.735 -10.220 0.626) 13.459 9.643 ( -4.825 3.231 2.994) 6.534 10.437 ( 11.075 3.250 -4.835) 12.513 10.783 ( -2.729 18.287 5.296) 19.234 11.597 ( -3.481 1.518 -4.777) 6.103 14.803 ( 8.331 -7.083 3.233) 11.403 ======================= Grid point 63 (49/489) ======================= q-point: (-0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( -8.251 -2.540 -2.692) 9.043 2.793 ( -12.403 4.798 -0.434) 13.306 3.700 ( 9.949 1.392 2.991) 10.481 3.820 ( -8.704 0.998 2.909) 9.231 3.975 ( -14.619 4.211 -4.071) 15.749 5.585 ( -9.404 -5.952 0.135) 11.130 8.824 ( -8.171 -6.914 2.450) 10.980 9.463 ( -16.709 0.051 1.560) 16.782 10.765 ( 18.625 6.257 -3.307) 19.925 10.904 ( -2.348 12.406 5.030) 13.591 11.575 ( 4.258 -2.029 -5.871) 7.531 14.905 ( 8.225 -3.525 3.630) 9.657 ======================= Grid point 64 (50/489) ======================= q-point: (-0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( -10.039 -1.593 -1.313) 10.249 2.595 ( -13.889 1.850 -0.191) 14.013 3.597 ( -21.169 4.666 0.859) 21.695 3.731 ( -8.385 -3.397 2.166) 9.303 3.931 ( 10.026 0.948 -1.884) 10.245 5.300 ( -18.448 -3.372 -0.106) 18.754 8.667 ( -5.216 -2.722 2.027) 6.223 9.128 ( -21.158 -0.547 0.724) 21.178 10.851 ( -6.769 5.464 -0.193) 8.701 11.264 ( 26.238 3.002 3.429) 26.631 11.668 ( 9.487 -1.260 -5.959) 11.273 15.032 ( 7.593 -0.772 2.453) 8.017 ======================= Grid point 65 (51/489) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -13.510 0.000 0.000) 13.510 2.362 ( -13.860 0.000 0.000) 13.860 3.239 ( -21.919 0.000 0.000) 21.919 3.532 ( -13.034 0.000 0.000) 13.034 4.108 ( 9.370 -0.000 -0.000) 9.370 4.883 ( -27.562 0.000 0.000) 27.562 8.566 ( -9.074 0.000 0.000) 9.074 8.787 ( -13.985 0.000 0.000) 13.985 10.783 ( -3.095 0.000 0.000) 3.095 11.777 ( 29.825 -0.000 -0.000) 29.825 11.803 ( 7.732 -0.000 -0.000) 7.732 15.154 ( 6.270 -0.000 -0.000) 6.270 ======================= Grid point 72 (52/489) ======================= q-point: ( 0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 0.000 14.280 11.101) 18.087 2.023 ( 0.000 12.424 3.577) 12.928 2.629 ( -0.000 13.296 -1.855) 13.425 3.190 ( -0.000 19.990 0.951) 20.013 3.974 ( -0.000 20.536 -8.168) 22.101 4.380 ( 0.000 13.474 2.796) 13.762 8.168 ( -0.000 20.233 1.351) 20.278 8.912 ( 0.000 -4.262 4.745) 6.378 10.723 ( 0.000 -6.614 -1.174) 6.717 11.433 ( -0.000 -7.686 -30.348) 31.306 12.747 ( 0.000 -26.873 17.659) 32.156 15.279 ( -0.000 1.729 -4.443) 4.768 ======================= Grid point 73 (53/489) ======================= q-point: ( 0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 1.214 12.139 8.737) 15.005 2.186 ( 4.675 9.437 3.024) 10.957 2.836 ( 8.406 14.495 -1.260) 16.803 3.377 ( 0.977 14.636 -2.674) 14.910 4.055 ( 0.454 2.312 -7.034) 7.418 4.649 ( 3.797 28.288 4.281) 28.861 8.417 ( 4.796 20.367 1.365) 20.968 8.867 ( -4.249 0.593 2.717) 5.078 10.669 ( 1.450 -4.482 -0.894) 4.795 11.242 ( 0.204 -13.017 -27.281) 30.228 12.517 ( -2.864 -24.998 16.646) 30.169 15.252 ( -3.390 0.908 -4.046) 5.356 ======================= Grid point 74 (54/489) ======================= q-point: ( 0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 3.126 9.566 7.261) 12.410 2.384 ( 7.205 8.421 2.155) 11.291 3.180 ( 13.668 15.614 -0.934) 20.772 3.475 ( -0.189 6.430 -8.375) 10.560 4.056 ( -0.066 1.045 -0.482) 1.153 5.023 ( 5.977 25.151 2.985) 26.023 8.683 ( 0.036 11.897 1.551) 11.998 8.860 ( 2.021 13.167 -0.075) 13.322 10.703 ( 5.876 -0.552 -0.230) 5.906 11.020 ( -0.887 -15.378 -21.879) 26.757 12.254 ( -5.006 -23.264 14.228) 27.726 15.151 ( -7.125 -0.358 -4.370) 8.366 ======================= Grid point 75 (55/489) ======================= q-point: ( 0.41 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 4.406 6.608 6.526) 10.279 2.615 ( 8.353 9.504 1.212) 12.711 3.452 ( -1.049 -1.125 -11.856) 11.955 3.583 ( 13.154 17.107 -1.354) 21.622 4.080 ( 0.202 2.262 4.801) 5.310 5.343 ( 5.338 17.048 1.898) 17.965 8.694 ( -3.958 7.819 -0.773) 8.797 9.175 ( 9.138 19.394 1.434) 21.487 10.769 ( -1.785 -16.087 -15.779) 22.605 10.857 ( 7.344 5.226 -0.820) 9.050 11.978 ( -5.625 -20.585 11.247) 24.122 14.981 ( -9.046 -2.227 -4.739) 10.452 ======================= Grid point 76 (56/489) ======================= q-point: ( 0.47 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 5.465 4.465 5.619) 9.021 2.853 ( 6.520 10.680 0.404) 12.519 3.365 ( -1.188 -3.951 -11.564) 12.278 3.903 ( 4.114 11.759 -0.631) 12.474 4.169 ( 5.120 7.668 5.377) 10.674 5.547 ( 3.638 7.464 1.172) 8.385 8.760 ( 1.812 10.007 0.008) 10.170 9.492 ( 6.038 15.276 1.145) 16.466 10.519 ( -3.343 -14.891 -11.934) 19.374 11.046 ( 3.082 10.682 0.019) 11.118 11.750 ( -2.250 -14.881 8.055) 17.070 14.783 ( -7.560 -4.998 -4.421) 10.084 ======================= Grid point 77 (57/489) ======================= q-point: ( 0.53 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 6.277 2.891 4.293) 8.135 3.008 ( -0.992 7.868 -1.360) 8.046 3.307 ( 2.329 -0.034 -8.691) 8.997 3.954 ( -1.924 -0.626 3.292) 3.863 4.418 ( 3.657 18.818 1.261) 19.212 5.632 ( 3.243 -2.236 0.859) 4.032 8.947 ( 7.098 10.200 1.455) 12.512 9.660 ( -0.555 7.364 -0.364) 7.394 10.313 ( -0.410 -12.378 -7.436) 14.446 11.111 ( -9.243 12.711 1.741) 15.813 11.699 ( 4.107 -3.440 3.321) 6.304 14.615 ( -2.450 -8.050 -2.931) 8.911 ======================= Grid point 78 (58/489) ======================= q-point: ( 0.59 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( 2.094 -1.111 -0.200) 2.379 2.994 ( -2.415 4.745 -0.055) 5.324 3.384 ( 1.948 8.152 -5.439) 9.992 3.900 ( -0.564 -6.758 4.202) 7.978 4.605 ( -6.566 21.480 -0.205) 22.462 5.641 ( 4.957 -9.354 0.803) 10.617 9.155 ( 4.881 4.199 1.052) 6.524 9.649 ( -3.353 3.643 0.326) 4.962 10.227 ( 4.455 -9.404 -4.817) 11.466 11.069 ( -11.498 16.600 3.861) 20.559 11.748 ( -0.618 2.315 -1.291) 2.722 14.538 ( 4.406 -9.179 -0.545) 10.196 ======================= Grid point 79 (59/489) ======================= q-point: (-0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( -6.118 -2.428 -2.900) 7.193 3.066 ( -0.019 5.684 1.898) 5.993 3.461 ( 0.253 6.767 -3.377) 7.567 3.850 ( 2.341 -7.895 3.378) 8.900 4.597 ( -16.315 16.593 -0.650) 23.279 5.637 ( 5.073 -9.352 0.615) 10.657 9.115 ( -7.064 -4.846 -0.488) 8.581 9.717 ( 1.591 6.168 3.248) 7.150 10.241 ( 8.674 -5.286 -4.226) 11.002 11.097 ( -7.427 18.951 5.246) 21.020 11.678 ( -6.917 -1.346 -4.576) 8.402 14.581 ( 9.342 -6.847 1.340) 11.660 ======================= Grid point 80 (60/489) ======================= q-point: (-0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( -7.423 -1.355 -1.525) 7.698 3.037 ( -9.599 3.838 0.172) 10.339 3.555 ( 7.282 1.546 -0.294) 7.450 3.837 ( 1.253 -3.518 1.304) 3.955 4.384 ( -21.176 7.324 -0.567) 22.414 5.617 ( -0.250 -4.414 0.243) 4.428 8.919 ( -8.940 -3.699 0.300) 9.680 9.698 ( -9.177 0.950 1.329) 9.321 10.448 ( 18.243 0.627 -1.649) 18.328 11.189 ( -7.225 16.984 5.867) 19.366 11.495 ( -3.757 -8.404 -6.242) 11.122 14.714 ( 10.632 -2.894 1.495) 11.120 ======================= Grid point 81 (61/489) ======================= q-point: (-0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( -8.362 0.000 0.000) 8.362 2.846 ( -13.610 0.000 0.000) 13.610 3.723 ( 10.248 -0.000 -0.000) 10.248 3.810 ( -3.049 0.000 0.000) 3.049 4.037 ( -22.068 0.000 0.000) 22.068 5.520 ( -9.010 0.000 0.000) 9.010 8.761 ( -7.199 0.000 0.000) 7.199 9.467 ( -17.393 0.000 0.000) 17.393 10.812 ( 21.807 -0.000 -0.000) 21.807 11.097 ( -11.033 0.000 0.000) 11.033 11.495 ( 8.084 -0.000 -0.000) 8.084 14.881 ( 9.591 -0.000 -0.000) 9.591 ======================= Grid point 90 (62/489) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -0.000 7.492 1.352) 7.613 2.236 ( 0.000 9.789 8.481) 12.952 2.892 ( -0.000 13.335 -1.087) 13.379 3.483 ( -0.000 9.587 -7.284) 12.040 4.055 ( -0.000 2.044 -2.395) 3.148 4.922 ( -0.000 29.145 3.625) 29.370 8.573 ( -0.000 19.284 -0.045) 19.284 8.937 ( 0.000 4.175 1.828) 4.558 10.609 ( 0.000 -4.012 -0.073) 4.013 11.006 ( -0.000 -16.594 -24.355) 29.471 12.344 ( 0.000 -23.994 13.886) 27.722 15.286 ( -0.000 1.444 -2.660) 3.027 ======================= Grid point 91 (63/489) ======================= q-point: ( 0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 3.860 7.248 1.726) 8.391 2.359 ( 2.299 6.647 6.282) 9.430 3.104 ( 9.711 12.535 -0.864) 15.880 3.503 ( -0.892 2.166 -11.965) 12.192 4.089 ( -0.240 4.554 2.761) 5.332 5.224 ( 1.704 25.316 2.861) 25.534 8.794 ( 3.302 15.729 -0.230) 16.073 8.969 ( -1.683 8.816 -1.620) 9.120 10.606 ( 3.265 -1.757 0.684) 3.771 10.786 ( 1.485 -16.718 -18.119) 24.698 12.125 ( -2.358 -23.003 10.668) 25.466 15.252 ( -4.822 1.176 -2.334) 5.485 ======================= Grid point 92 (64/489) ======================= q-point: ( 0.41 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 2.297 5.635 6.058) 8.587 2.537 ( 9.259 6.123 0.683) 11.122 3.402 ( 4.278 1.648 -8.815) 9.936 3.489 ( 9.964 8.412 -4.880) 13.924 4.137 ( -1.224 4.506 4.947) 6.803 5.480 ( 1.070 18.926 2.034) 19.065 8.861 ( -5.447 8.536 -2.277) 10.379 9.193 ( 10.015 16.574 -0.779) 19.380 10.579 ( 0.434 -14.793 -11.094) 18.496 10.731 ( 8.829 0.734 -0.394) 8.869 11.882 ( -3.511 -20.554 7.754) 22.247 15.126 ( -9.578 0.093 -2.743) 9.963 ======================= Grid point 93 (65/489) ======================= q-point: ( 0.47 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 3.581 3.754 5.167) 7.323 2.783 ( 11.156 6.768 0.331) 13.052 3.322 ( -2.027 -3.866 -10.809) 11.657 3.874 ( 14.955 12.957 -1.761) 19.866 4.166 ( 0.140 2.274 5.693) 6.132 5.634 ( -1.582 11.225 1.289) 11.409 8.871 ( -2.353 9.883 -1.239) 10.235 9.520 ( 8.638 13.903 0.122) 16.368 10.389 ( -2.384 -13.135 -8.844) 16.014 10.960 ( 14.201 4.074 0.201) 14.775 11.662 ( -2.955 -15.433 5.855) 16.769 14.916 ( -12.353 -1.815 -3.221) 12.894 ======================= Grid point 94 (66/489) ======================= q-point: ( 0.53 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 4.771 2.221 3.742) 6.457 3.032 ( 7.795 6.869 0.189) 10.391 3.229 ( 0.436 -2.879 -8.324) 8.819 4.031 ( -4.590 2.458 1.881) 5.536 4.399 ( 16.209 11.043 1.552) 19.675 5.651 ( -4.809 2.729 0.759) 5.581 8.980 ( 2.730 10.884 1.471) 11.317 9.726 ( 2.269 7.562 -0.412) 7.906 10.190 ( -3.095 -11.769 -6.496) 13.795 11.258 ( 9.574 9.607 -1.212) 13.617 11.542 ( 3.383 -9.349 5.414) 11.321 14.665 ( -11.325 -4.271 -3.038) 12.479 ======================= Grid point 95 (67/489) ======================= q-point: ( 0.59 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( 4.740 0.505 1.571) 5.019 3.067 ( -3.372 0.576 -1.850) 3.889 3.350 ( 9.727 6.089 -3.689) 12.054 3.924 ( -7.169 -3.243 2.982) 8.414 4.787 ( 10.887 16.376 0.009) 19.664 5.537 ( -5.448 -6.975 0.586) 8.870 9.156 ( 3.823 8.510 2.798) 9.740 9.751 ( -4.045 3.388 -0.718) 5.325 10.045 ( 2.109 -10.707 -4.731) 11.894 11.363 ( -5.593 10.072 1.854) 11.669 11.672 ( 10.994 -0.825 0.752) 11.051 14.456 ( -5.070 -5.809 -1.754) 7.907 ======================= Grid point 96 (68/489) ======================= q-point: (-0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( -2.052 -1.099 -0.998) 2.532 3.061 ( 2.663 1.494 0.736) 3.141 3.550 ( 4.185 10.040 -4.353) 11.716 3.760 ( -4.785 -9.006 4.110) 10.995 5.011 ( -9.997 18.212 -0.533) 20.783 5.405 ( 7.026 -13.844 0.649) 15.539 9.205 ( -5.225 0.709 0.582) 5.305 9.761 ( 0.766 6.062 2.247) 6.510 10.019 ( 7.373 -7.854 -3.808) 11.426 11.369 ( -5.258 9.096 2.855) 10.887 11.750 ( -2.242 -0.644 -2.019) 3.085 14.396 ( 4.479 -4.055 -0.140) 6.044 ======================= Grid point 97 (69/489) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( -6.150 0.000 0.000) 6.150 3.131 ( 1.639 -0.000 -0.000) 1.639 3.546 ( -5.746 0.000 0.000) 5.746 3.751 ( 6.196 -0.000 -0.000) 6.196 4.791 ( -20.743 0.000 0.000) 20.743 5.517 ( 8.600 -0.000 -0.000) 8.600 9.063 ( -9.453 0.000 0.000) 9.453 9.803 ( -1.956 0.000 0.000) 1.956 10.162 ( 14.056 -0.000 -0.000) 14.056 11.372 ( -1.424 0.000 0.000) 1.424 11.589 ( -13.026 0.000 0.000) 13.026 14.513 ( 10.362 -0.000 -0.000) 10.362 ======================= Grid point 108 (70/489) ======================= q-point: ( 0.35 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -0.000 4.728 0.131) 4.730 2.434 ( 0.000 5.829 6.200) 8.510 3.127 ( -0.000 10.514 -0.632) 10.533 3.468 ( -0.000 -2.458 -13.658) 13.877 4.163 ( 0.000 6.674 4.544) 8.074 5.460 ( -0.000 22.377 2.473) 22.514 8.904 ( -0.000 13.902 -2.017) 14.048 9.055 ( -0.000 7.281 -5.659) 9.222 10.562 ( -0.000 -15.085 -10.590) 18.431 10.575 ( 0.000 0.137 1.610) 1.616 11.943 ( 0.000 -22.674 7.102) 23.760 15.308 ( -0.000 1.887 -1.200) 2.236 ======================= Grid point 109 (71/489) ======================= q-point: ( 0.41 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 6.062 3.978 -0.029) 7.250 2.508 ( 0.856 4.222 5.140) 6.707 3.306 ( 8.184 7.162 -2.278) 11.111 3.397 ( 1.808 -2.427 -10.744) 11.163 4.230 ( -1.404 5.838 4.507) 7.508 5.666 ( -0.283 17.449 1.880) 17.553 9.005 ( -2.795 7.620 -5.372) 9.733 9.157 ( 8.006 10.052 -5.467) 13.965 10.419 ( 0.295 -10.467 -3.416) 11.014 10.624 ( 3.973 1.101 1.792) 4.496 11.732 ( -0.850 -20.502 4.134) 20.932 15.271 ( -6.148 1.578 -1.072) 6.437 ======================= Grid point 110 (72/489) ======================= q-point: ( 0.47 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 2.016 2.766 4.247) 5.455 2.637 ( 10.899 3.762 -0.140) 11.531 3.282 ( -1.238 -3.653 -9.408) 10.168 3.666 ( 18.311 7.703 -0.931) 19.887 4.249 ( -3.386 3.382 3.911) 6.181 5.795 ( -2.508 11.587 1.274) 11.924 8.994 ( -2.742 6.673 -5.458) 9.046 9.442 ( 13.193 8.672 -2.905) 16.053 10.321 ( -2.545 -5.224 -0.878) 5.876 10.741 ( 9.844 -1.924 1.425) 10.131 11.558 ( 0.114 -13.944 2.390) 14.148 15.120 ( -11.898 0.471 -1.473) 11.998 ======================= Grid point 111 (73/489) ======================= q-point: ( 0.53 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 3.168 1.549 2.791) 4.497 2.886 ( 13.370 3.500 0.077) 13.820 3.200 ( -1.840 -2.643 -6.175) 6.964 4.075 ( 16.071 8.248 -1.919) 18.166 4.218 ( 0.312 -0.314 4.074) 4.098 5.807 ( -6.564 5.579 0.719) 8.645 9.041 ( 1.552 7.341 -1.680) 7.689 9.690 ( 8.127 3.219 -1.957) 8.958 10.197 ( -7.591 -2.463 -0.911) 8.032 10.968 ( 20.343 -3.576 0.174) 20.656 11.485 ( 0.893 -4.239 2.137) 4.830 14.873 ( -15.357 -0.976 -1.688) 15.480 ======================= Grid point 112 (74/489) ======================= q-point: ( 0.59 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 4.144 0.510 1.172) 4.337 3.111 ( -0.395 0.743 0.145) 0.853 3.172 ( 11.565 0.770 -3.013) 11.976 4.064 ( -8.729 0.368 0.995) 8.793 4.567 ( 23.168 4.512 0.238) 23.605 5.682 ( -11.491 0.440 0.298) 11.503 9.169 ( 4.676 5.828 1.096) 7.551 9.783 ( 3.052 -0.314 -1.657) 3.487 10.012 ( -9.266 -3.322 -1.096) 9.904 11.343 ( 22.896 -0.082 -1.005) 22.918 11.490 ( -0.066 0.861 2.369) 2.521 14.590 ( -14.258 -1.728 -1.131) 14.407 ======================= Grid point 113 (75/489) ======================= q-point: (-0.35 -0.65 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( 3.478 -0.000 -0.000) 3.478 3.065 ( -2.213 0.000 0.000) 2.213 3.412 ( 12.871 -0.000 -0.000) 12.871 3.894 ( -10.709 0.000 0.000) 10.709 4.985 ( 21.123 -0.000 -0.000) 21.123 5.436 ( -16.136 0.000 0.000) 16.136 9.263 ( 0.869 -0.000 -0.000) 0.869 9.844 ( -5.722 0.000 0.000) 5.722 9.845 ( 5.030 -0.000 -0.000) 5.030 11.480 ( -2.594 0.000 0.000) 2.594 11.666 ( 12.395 -0.000 -0.000) 12.395 14.389 ( -6.370 0.000 0.000) 6.370 ======================= Grid point 127 (76/489) ======================= q-point: ( 0.41 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( -0.000 2.705 -0.258) 2.717 2.550 ( 0.000 2.900 3.881) 4.845 3.295 ( -0.000 6.567 -0.356) 6.576 3.310 ( -0.000 -4.561 -10.502) 11.449 4.312 ( 0.000 5.059 3.575) 6.195 5.831 ( -0.000 13.631 1.414) 13.704 9.095 ( -0.000 6.998 -2.728) 7.511 9.102 ( -0.000 2.472 -12.556) 12.797 10.349 ( 0.000 -3.823 4.041) 5.562 10.623 ( 0.000 2.870 2.271) 3.660 11.542 ( 0.000 -19.413 1.206) 19.450 15.342 ( -0.000 1.839 -0.344) 1.871 ======================= Grid point 128 (77/489) ======================= q-point: ( 0.47 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 6.671 1.935 -0.139) 6.948 2.591 ( 0.887 1.803 2.666) 3.339 3.237 ( -0.454 -3.204 -7.168) 7.865 3.454 ( 11.628 4.353 -0.397) 12.423 4.344 ( -2.274 3.171 2.481) 4.624 5.937 ( -1.418 8.799 0.908) 8.959 9.052 ( -1.513 2.058 -8.421) 8.800 9.260 ( 11.683 3.515 -3.480) 12.687 10.352 ( -0.701 2.091 5.728) 6.137 10.647 ( -0.332 -0.942 1.106) 1.490 11.394 ( 2.925 -13.345 -0.160) 13.663 15.296 ( -7.117 1.191 -0.358) 7.225 ======================= Grid point 129 (78/489) ======================= q-point: ( 0.53 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 1.893 0.785 1.539) 2.563 2.686 ( 11.783 1.257 -0.167) 11.851 3.187 ( -0.764 -1.551 -3.444) 3.854 3.766 ( 19.986 2.649 -0.326) 20.164 4.310 ( -4.830 1.114 1.377) 5.145 5.955 ( -4.292 3.899 0.438) 5.815 9.052 ( 1.390 2.165 -3.451) 4.305 9.512 ( 13.721 1.113 -1.489) 13.847 10.364 ( -7.656 6.149 3.207) 10.330 10.636 ( 9.386 -7.738 -0.610) 12.180 11.391 ( 5.571 -3.676 0.252) 6.679 15.122 ( -13.338 0.265 -0.463) 13.348 ======================= Grid point 130 (79/489) ======================= q-point: (-0.41 -0.59 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( 2.976 -0.000 -0.000) 2.976 2.922 ( 14.350 -0.000 -0.000) 14.350 3.154 ( -1.761 0.000 0.000) 1.761 4.168 ( 24.200 -0.000 -0.000) 24.200 4.211 ( -7.300 0.000 0.000) 7.300 5.865 ( -8.370 0.000 0.000) 8.370 9.114 ( 4.409 -0.000 -0.000) 4.409 9.693 ( 6.925 -0.000 -0.000) 6.925 10.200 ( -12.436 0.000 0.000) 12.436 10.907 ( 23.845 -0.000 -0.000) 23.845 11.465 ( 3.780 -0.000 -0.000) 3.780 14.858 ( -16.597 0.000 0.000) 16.597 ======================= Grid point 146 (80/489) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( -0.000 0.886 -0.144) 0.898 2.602 ( 0.000 0.845 1.333) 1.578 3.196 ( -0.000 -1.974 -3.872) 4.346 3.382 ( -0.000 2.223 -0.117) 2.226 4.395 ( 0.000 1.717 1.227) 2.110 6.018 ( -0.000 4.543 0.436) 4.564 9.046 ( -0.000 -0.546 -6.321) 6.345 9.167 ( -0.000 1.930 -1.227) 2.287 10.395 ( 0.000 2.578 4.715) 5.373 10.685 ( 0.000 1.621 1.028) 1.919 11.234 ( 0.000 -9.462 -1.200) 9.538 15.369 ( -0.000 0.778 -0.041) 0.779 ======================= Grid point 147 (81/489) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 6.889 -0.000 -0.000) 6.889 2.616 ( 0.897 -0.000 -0.000) 0.897 3.180 ( -0.097 0.000 0.000) 0.097 3.497 ( 11.750 -0.000 -0.000) 11.750 4.383 ( -2.565 0.000 0.000) 2.565 6.027 ( -1.762 0.000 0.000) 1.762 9.036 ( 0.543 -0.000 -0.000) 0.543 9.281 ( 11.465 -0.000 -0.000) 11.465 10.447 ( 3.858 -0.000 -0.000) 3.858 10.603 ( -9.276 0.000 0.000) 9.276 11.253 ( 6.733 -0.000 -0.000) 6.733 15.307 ( -7.475 0.000 0.000) 7.475 ======================= Grid point 313 (82/489) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.207 ( 0.000 -0.000 22.611) 22.611 0.207 ( 0.000 -0.000 22.611) 22.611 0.440 ( 0.000 -0.000 48.197) 48.197 2.131 ( -0.000 0.000 -1.358) 1.358 2.131 ( -0.000 0.000 -1.358) 1.358 5.269 ( -0.000 0.000 -4.616) 4.616 7.239 ( 0.000 -0.000 1.012) 1.012 7.239 ( 0.000 -0.000 1.012) 1.012 11.140 ( -0.000 0.000 -0.556) 0.556 11.140 ( -0.000 0.000 -0.556) 0.556 14.530 ( 0.000 -0.000 0.420) 0.420 14.695 ( -0.000 0.000 -0.192) 0.192 ======================= Grid point 314 (83/489) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 22.137 12.781 6.856) 26.466 0.629 ( 13.388 7.730 24.802) 29.225 1.154 ( 40.040 23.117 16.737) 49.171 2.157 ( 2.757 1.592 -1.857) 3.685 2.285 ( 12.339 7.124 -1.895) 14.373 4.529 ( -8.170 -4.717 8.922) 12.985 7.302 ( 5.076 2.931 1.283) 6.000 9.515 ( 25.341 14.631 -50.850) 58.668 11.080 ( 7.605 4.391 -23.210) 24.816 11.108 ( -2.677 -1.545 -0.565) 3.142 14.295 ( -18.047 -10.419 7.457) 22.133 14.978 ( 12.933 7.467 -11.182) 18.656 ======================= Grid point 315 (84/489) ======================= q-point: ( 0.18 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 15.304 8.836 16.170) 23.953 1.127 ( 21.693 12.524 3.359) 25.273 2.085 ( 35.136 20.286 10.846) 41.996 2.246 ( 5.543 3.200 -2.230) 6.778 2.687 ( 23.494 13.564 -1.850) 27.191 4.429 ( -3.249 -1.876 -1.192) 3.937 7.478 ( 9.896 5.713 1.215) 11.491 9.407 ( -15.831 -9.140 -1.067) 18.312 11.019 ( -4.729 -2.730 -0.495) 5.483 11.316 ( 16.567 9.565 -34.119) 39.116 13.860 ( -21.808 -12.591 13.230) 28.446 15.150 ( 5.060 2.921 -9.378) 11.049 ======================= Grid point 316 (85/489) ======================= q-point: ( 0.24 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 16.059 9.272 9.946) 21.042 1.596 ( 18.022 10.405 2.253) 20.931 2.400 ( 8.512 4.914 -2.331) 10.101 2.763 ( 22.144 12.785 6.453) 26.372 3.363 ( 33.772 19.498 -1.081) 39.011 4.352 ( -2.796 -1.614 -3.485) 4.751 7.759 ( 14.050 8.112 0.698) 16.238 9.008 ( -16.809 -9.705 0.638) 19.420 10.896 ( -5.635 -3.253 -0.257) 6.512 11.537 ( 9.975 5.759 -28.364) 30.614 13.390 ( -23.058 -13.313 19.016) 32.719 15.169 ( -0.351 -0.203 -10.151) 10.159 ======================= Grid point 317 (86/489) ======================= q-point: ( 0.29 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 15.768 9.104 6.592) 19.364 1.955 ( 12.636 7.296 1.408) 14.659 2.623 ( 11.195 6.464 -1.912) 13.068 3.205 ( 15.765 9.102 2.547) 18.382 4.057 ( 18.876 10.898 -8.516) 23.401 4.347 ( 9.933 5.735 4.367) 12.273 8.117 ( 16.716 9.651 -0.216) 19.303 8.691 ( -9.635 -5.563 -3.534) 11.673 10.768 ( -5.281 -3.049 0.227) 6.102 11.580 ( 0.463 0.267 -24.004) 24.010 12.921 ( -23.314 -13.460 22.790) 35.272 15.100 ( -2.321 -1.340 -10.404) 10.743 ======================= Grid point 318 (87/489) ======================= q-point: ( 0.35 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 14.370 8.296 5.454) 17.466 2.194 ( 8.188 4.728 0.569) 9.472 2.885 ( 11.491 6.634 -1.194) 13.322 3.503 ( 9.855 5.690 -3.536) 11.916 4.102 ( -2.204 -1.272 -4.079) 4.808 4.888 ( 25.011 14.440 3.735) 29.121 8.507 ( 16.998 9.814 -1.344) 19.674 8.567 ( 0.437 0.252 -7.055) 7.073 10.663 ( -3.936 -2.273 0.971) 4.648 11.421 ( -8.118 -4.687 -19.099) 21.276 12.449 ( -23.698 -13.682 20.745) 34.339 15.028 ( -0.949 -0.548 -8.342) 8.414 ======================= Grid point 319 (88/489) ======================= q-point: ( 0.41 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 5.343 3.085 0.045) 6.169 2.508 ( 12.332 7.120 5.359) 15.215 3.124 ( 9.259 5.346 -0.661) 10.712 3.606 ( 0.729 0.421 -12.219) 12.248 4.076 ( 0.699 0.403 4.702) 4.771 5.403 ( 18.724 10.810 2.147) 21.727 8.670 ( 10.403 6.006 -8.805) 14.894 8.869 ( 14.514 8.379 -2.349) 16.923 10.596 ( -2.215 -1.279 1.796) 3.125 11.113 ( -14.457 -8.347 -10.870) 19.920 11.963 ( -22.332 -12.893 12.636) 28.716 15.013 ( 1.268 0.732 -4.685) 4.908 ======================= Grid point 320 (89/489) ======================= q-point: ( 0.47 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( 3.142 1.814 -0.190) 3.633 2.783 ( 10.200 5.889 5.109) 12.838 3.297 ( 5.851 3.378 -0.347) 6.765 3.497 ( -5.524 -3.189 -12.768) 14.273 4.143 ( 2.678 1.546 5.382) 6.207 5.757 ( 11.524 6.653 1.350) 13.375 8.977 ( 18.295 10.563 -9.258) 23.065 9.144 ( 9.805 5.661 -2.706) 11.641 10.568 ( -0.948 -0.547 2.229) 2.483 10.689 ( -20.946 -12.093 -0.589) 24.193 11.548 ( -14.629 -8.446 3.179) 17.188 15.046 ( 2.045 1.181 -1.268) 2.681 ======================= Grid point 321 (90/489) ======================= q-point: ( 0.53 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 1.077 0.622 -0.255) 1.270 2.979 ( 4.016 2.318 1.635) 4.917 3.349 ( -2.073 -1.197 -7.185) 7.574 3.388 ( 2.032 1.173 -0.145) 2.350 4.197 ( 0.522 0.301 3.093) 3.151 5.937 ( 3.790 2.188 0.861) 4.460 9.296 ( 3.976 2.296 -1.980) 5.000 9.431 ( 22.786 13.156 -9.497) 27.973 10.171 ( -23.543 -13.592 6.118) 27.865 10.557 ( -0.654 -0.378 1.776) 1.930 11.336 ( -4.216 -2.434 -0.667) 4.914 15.086 ( 1.219 0.704 1.270) 1.896 ======================= Grid point 322 (91/489) ======================= q-point: (-0.41 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( -0.988 -0.570 -0.220) 1.162 2.907 ( -7.555 -4.362 -5.885) 10.523 3.389 ( -1.875 -1.082 0.022) 2.165 3.445 ( 8.842 5.105 2.474) 10.505 4.175 ( -3.056 -1.764 0.976) 3.661 5.934 ( -4.276 -2.469 0.510) 4.964 9.312 ( -2.391 -1.380 -0.381) 2.787 9.578 ( -19.163 -11.064 5.527) 22.807 10.053 ( 23.171 13.378 -5.923) 27.403 10.545 ( -0.648 -0.374 0.520) 0.912 11.337 ( 4.097 2.365 -0.460) 4.753 15.106 ( -0.074 -0.043 3.316) 3.317 ======================= Grid point 323 (92/489) ======================= q-point: (-0.35 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( -3.101 -1.790 -0.117) 3.582 2.682 ( -9.910 -5.721 -5.843) 12.848 3.303 ( -5.652 -3.263 0.198) 6.529 3.679 ( 9.515 5.494 5.830) 12.438 4.065 ( -6.131 -3.540 -1.899) 7.330 5.745 ( -12.138 -7.008 0.178) 14.016 9.153 ( -17.733 -10.238 9.547) 22.593 9.181 ( -9.053 -5.227 1.172) 10.519 10.539 ( 0.364 0.210 -0.766) 0.873 10.634 ( 27.064 15.626 -6.977) 32.021 11.500 ( 9.702 5.601 -1.563) 11.311 15.110 ( -0.499 -0.288 5.316) 5.347 ======================= Grid point 324 (93/489) ======================= q-point: (-0.29 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( -5.407 -3.122 0.061) 6.243 2.420 ( -11.612 -6.704 -4.084) 14.016 3.134 ( -8.968 -5.178 0.405) 10.363 3.804 ( -7.067 -4.080 8.965) 12.123 3.979 ( 5.830 3.366 -5.738) 8.845 5.379 ( -19.657 -11.349 -0.275) 22.699 8.847 ( -11.166 -6.447 10.084) 16.369 8.909 ( -14.704 -8.489 1.853) 17.079 10.566 ( 2.383 1.376 -1.361) 3.069 11.230 ( 25.591 14.775 -1.292) 29.578 11.742 ( 11.999 6.928 -7.954) 15.976 15.127 ( 0.552 0.319 7.095) 7.124 ======================= Grid point 325 (94/489) ======================= q-point: (-0.24 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( -13.979 -8.071 -1.661) 16.227 2.193 ( -8.400 -4.850 0.397) 9.708 2.902 ( -11.086 -6.401 0.600) 12.815 3.547 ( -14.289 -8.250 1.577) 16.575 4.151 ( 7.309 4.220 0.482) 8.453 4.841 ( -26.913 -15.538 -0.869) 31.088 8.536 ( -17.701 -10.220 1.678) 20.508 8.712 ( -2.793 -1.613 8.406) 9.004 10.641 ( 4.427 2.556 -1.310) 5.277 11.758 ( 15.010 8.666 17.295) 24.485 12.013 ( 18.786 10.846 -26.054) 33.902 15.181 ( 2.122 1.225 7.649) 8.032 ======================= Grid point 326 (95/489) ======================= q-point: (-0.18 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -16.580 -9.572 0.924) 19.167 1.953 ( -12.910 -7.454 1.122) 14.950 2.646 ( -10.832 -6.254 0.593) 12.522 3.174 ( -18.352 -10.595 -0.656) 21.201 4.146 ( -32.870 -18.978 -1.027) 37.969 4.295 ( 4.948 2.857 0.755) 5.763 8.130 ( -17.514 -10.112 1.135) 20.256 8.772 ( 6.163 3.558 5.040) 8.720 10.756 ( 5.769 3.331 -1.019) 6.739 11.939 ( -0.021 -0.012 9.877) 9.877 12.519 ( 27.604 15.937 -15.875) 35.609 15.256 ( 2.134 1.232 6.079) 6.560 ======================= Grid point 327 (96/489) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -18.684 -10.787 3.578) 21.869 1.599 ( -18.318 -10.576 2.427) 21.290 2.424 ( -8.374 -4.835 0.244) 9.673 2.684 ( -24.796 -14.316 -1.774) 28.687 3.363 ( -33.439 -19.306 -1.087) 38.628 4.385 ( 2.890 1.669 0.181) 3.342 7.758 ( -14.679 -8.475 0.651) 16.963 9.016 ( 13.821 7.979 1.354) 16.016 10.892 ( 6.002 3.465 -0.753) 6.971 11.880 ( -6.621 -3.822 4.137) 8.692 13.118 ( 27.024 15.602 -6.446) 31.864 15.293 ( -0.541 -0.312 2.700) 2.772 ======================= Grid point 328 (97/489) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -19.649 -11.344 7.962) 24.045 1.137 ( -22.370 -12.915 4.372) 26.198 1.970 ( -37.100 -21.420 -1.279) 42.859 2.265 ( -5.540 -3.198 -0.265) 6.402 2.695 ( -23.101 -13.337 -0.857) 26.688 4.435 ( 1.590 0.918 -0.160) 1.843 7.471 ( -10.233 -5.908 0.477) 11.826 9.393 ( 18.332 10.584 -2.606) 21.328 11.018 ( 4.971 2.870 -0.596) 5.771 11.664 ( -12.376 -7.145 -2.199) 14.459 13.708 ( 24.825 14.333 -0.183) 28.666 15.231 ( -5.219 -3.013 -1.721) 6.267 ======================= Grid point 331 (98/489) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 0.000 24.848 12.965) 28.027 0.747 ( 0.000 18.962 22.958) 29.776 1.136 ( 0.000 40.909 19.532) 45.333 2.153 ( -0.000 3.287 -2.201) 3.956 2.273 ( -0.000 14.068 -2.604) 14.307 4.554 ( 0.000 -12.514 8.565) 15.164 7.306 ( 0.000 5.932 1.556) 6.132 9.297 ( -0.000 40.981 -54.031) 67.814 11.101 ( -0.000 -3.351 -1.030) 3.505 11.113 ( -0.000 10.820 -18.584) 21.504 14.298 ( 0.000 -22.277 7.037) 23.362 14.933 ( -0.000 15.150 -10.889) 18.657 ======================= Grid point 332 (99/489) ======================= q-point: ( 0.18 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 5.263 16.894 20.155) 26.820 1.088 ( 8.358 23.259 9.464) 26.466 1.851 ( 24.685 34.270 12.531) 44.054 2.214 ( 2.894 5.374 -2.583) 6.628 2.536 ( 11.817 19.493 -2.695) 22.954 4.450 ( -2.607 -4.681 -0.293) 5.366 7.427 ( 4.914 8.826 1.729) 10.248 9.431 ( 0.033 -7.349 -9.700) 12.169 11.008 ( -2.600 -3.153 -5.375) 6.753 11.219 ( 3.090 18.228 -28.193) 33.714 13.994 ( -9.978 -23.369 11.139) 27.744 15.085 ( 4.578 8.257 -10.282) 13.959 ======================= Grid point 333 (100/489) ======================= q-point: ( 0.24 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 9.590 14.066 15.549) 23.056 1.505 ( 11.429 19.832 4.764) 23.380 2.345 ( 5.444 8.366 -2.748) 10.352 2.570 ( 20.837 20.320 8.294) 30.263 3.072 ( 24.760 26.200 -1.953) 36.101 4.365 ( -2.373 -2.641 -4.058) 5.392 7.658 ( 9.343 11.520 1.578) 14.916 9.164 ( -13.084 -14.123 1.996) 19.355 10.916 ( -2.169 -5.335 -2.169) 6.154 11.385 ( 6.552 13.279 -30.595) 33.990 13.594 ( -14.374 -22.071 16.318) 30.984 15.152 ( 0.262 3.073 -10.363) 10.812 ======================= Grid point 334 (101/489) ======================= q-point: ( 0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 11.710 12.605 10.240) 20.021 1.876 ( 9.849 14.478 3.130) 17.789 2.552 ( 7.653 11.925 -2.382) 14.368 3.050 ( 15.323 12.387 3.989) 20.103 3.788 ( 25.963 22.290 -4.266) 34.484 4.311 ( 0.736 0.704 -1.411) 1.740 7.980 ( 12.680 13.651 1.026) 18.660 8.811 ( -12.735 -9.171 -0.674) 15.708 10.816 ( -3.519 -3.759 -0.576) 5.181 11.474 ( 3.569 3.063 -26.454) 26.869 13.169 ( -16.789 -20.401 20.437) 33.403 15.107 ( -3.008 0.345 -10.687) 11.107 ======================= Grid point 335 (102/489) ======================= q-point: ( 0.35 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 12.453 10.776 7.192) 17.970 2.146 ( 6.556 10.331 1.764) 12.362 2.819 ( 8.321 14.276 -1.578) 16.599 3.381 ( 10.759 7.404 -1.000) 13.099 4.086 ( 1.435 0.351 -8.015) 8.150 4.644 ( 22.488 17.644 5.021) 29.021 8.354 ( 13.623 13.672 0.108) 19.300 8.587 ( -4.897 -1.455 -4.527) 6.826 10.723 ( -4.206 -1.148 0.277) 4.368 11.399 ( -2.511 -4.780 -21.842) 22.499 12.729 ( -19.201 -18.649 20.474) 33.700 15.021 ( -2.469 -0.736 -9.299) 9.649 ======================= Grid point 336 (103/489) ======================= q-point: ( 0.41 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 3.784 8.304 0.754) 9.157 2.389 ( 11.925 8.539 5.929) 15.820 3.091 ( 6.455 14.503 -0.970) 15.904 3.542 ( 3.812 1.739 -9.497) 10.380 4.074 ( 0.669 -0.334 1.297) 1.497 5.195 ( 19.996 13.917 2.883) 24.532 8.546 ( 5.651 2.718 -6.084) 8.737 8.758 ( 11.826 15.444 -1.800) 19.535 10.652 ( -4.016 0.679 0.999) 4.194 11.179 ( -7.931 -8.813 -15.566) 19.566 12.255 ( -21.744 -16.000 15.176) 30.970 14.971 ( 0.805 -1.293 -5.848) 6.043 ======================= Grid point 337 (104/489) ======================= q-point: ( 0.47 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 1.444 7.256 0.150) 7.400 2.675 ( 10.715 6.329 5.264) 13.512 3.311 ( 2.937 13.402 -0.766) 13.741 3.500 ( -2.900 -2.489 -13.530) 14.060 4.122 ( 2.695 0.531 5.750) 6.373 5.611 ( 14.314 8.447 1.890) 16.728 8.748 ( 14.331 7.039 -7.152) 17.495 9.082 ( 8.649 14.063 -2.656) 16.722 10.599 ( -3.284 -0.035 1.726) 3.710 10.867 ( -13.263 -10.387 -6.878) 18.196 11.786 ( -20.009 -9.755 6.976) 23.328 14.983 ( 3.624 -2.168 -2.025) 4.684 ======================= Grid point 338 (105/489) ======================= q-point: ( 0.53 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( -0.791 6.304 -0.179) 6.356 2.907 ( 7.973 3.499 3.545) 9.401 3.355 ( -3.743 -2.660 -11.208) 12.113 3.455 ( -1.608 12.014 -0.436) 12.129 4.183 ( 2.003 -0.725 4.634) 5.101 5.866 ( 7.828 3.185 1.329) 8.555 9.114 ( 20.366 8.674 -6.753) 23.143 9.306 ( 3.936 11.147 -3.994) 12.478 10.433 ( -18.685 -10.784 4.416) 22.021 10.581 ( -2.935 -1.893 -0.420) 3.517 11.468 ( -11.742 -0.191 0.485) 11.754 15.026 ( 4.371 -3.306 0.942) 5.561 ======================= Grid point 339 (106/489) ======================= q-point: (-0.41 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( -2.935 5.047 -0.333) 5.848 2.952 ( -3.891 -3.508 -4.363) 6.818 3.350 ( 6.786 3.582 -1.839) 7.891 3.504 ( -5.665 10.113 -0.104) 11.592 4.190 ( -0.695 -2.814 2.808) 4.036 5.949 ( 0.477 -1.615 0.958) 1.937 9.364 ( -2.186 4.561 -1.175) 5.193 9.547 ( 16.200 0.718 -7.461) 17.850 10.038 ( -14.110 0.963 5.836) 15.299 10.554 ( 0.321 -0.815 0.716) 1.132 11.370 ( -3.423 5.660 -1.153) 6.714 15.065 ( 3.570 -4.147 3.101) 6.290 ======================= Grid point 340 (107/489) ======================= q-point: (-0.35 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( -4.892 3.325 -0.387) 5.927 2.769 ( -8.627 -4.945 -6.015) 11.621 3.460 ( -9.605 7.599 0.051) 12.248 3.563 ( 10.907 5.086 1.807) 12.170 4.116 ( -4.269 -4.688 1.178) 6.449 5.855 ( -7.427 -5.622 0.681) 9.339 9.243 ( -9.287 -9.103 2.072) 13.168 9.437 ( -14.714 -2.575 4.412) 15.575 10.287 ( 21.328 13.026 -5.757) 25.646 10.581 ( 1.510 4.477 -0.238) 4.730 11.436 ( 3.895 6.785 -1.287) 7.928 15.088 ( 2.583 -4.056 4.862) 6.839 ======================= Grid point 341 (108/489) ======================= q-point: (-0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( -6.652 0.851 -0.517) 6.726 2.541 ( -10.557 -4.337 -4.182) 12.155 3.326 ( -13.090 4.844 0.289) 13.960 3.806 ( 9.898 3.904 4.788) 11.668 3.961 ( -7.008 -5.372 -2.497) 9.176 5.587 ( -15.517 -8.712 0.399) 17.800 8.960 ( -10.567 -11.325 6.837) 16.932 9.165 ( -17.334 -1.055 3.200) 17.658 10.555 ( 2.121 3.810 -1.034) 4.481 10.910 ( 24.875 14.680 -6.481) 29.602 11.609 ( 8.840 5.614 -2.628) 10.797 15.112 ( 2.489 -2.743 6.242) 7.258 ======================= Grid point 342 (109/489) ======================= q-point: (-0.24 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( -11.632 -5.725 -2.019) 13.121 2.327 ( -10.040 0.097 0.090) 10.041 3.112 ( -15.527 2.133 0.456) 15.680 3.711 ( -12.376 -6.957 2.195) 14.366 4.042 ( 9.709 3.580 -1.058) 10.402 5.150 ( -23.776 -11.097 0.105) 26.238 8.721 ( -10.251 -7.949 4.919) 13.873 8.848 ( -15.381 -2.904 5.004) 16.433 10.618 ( 1.539 4.610 -1.192) 5.004 11.496 ( 27.959 12.785 -2.905) 30.880 11.803 ( 9.260 3.347 -6.653) 11.883 15.163 ( 3.193 -0.797 6.582) 7.358 ======================= Grid point 343 (110/489) ======================= q-point: (-0.18 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -15.590 -6.252 0.748) 16.814 2.133 ( -12.384 -1.679 0.843) 12.526 2.849 ( -16.002 0.126 0.398) 16.008 3.392 ( -16.764 -7.374 0.357) 18.318 4.215 ( 7.029 2.317 -1.490) 7.550 4.552 ( -31.537 -12.610 0.690) 33.972 8.374 ( -19.674 -6.764 1.437) 20.854 8.742 ( 0.948 -0.376 5.856) 5.944 10.701 ( 3.678 3.760 -1.202) 5.396 11.921 ( 4.325 -0.029 1.186) 4.485 12.114 ( 30.055 12.039 -9.005) 33.605 15.238 ( 3.280 0.433 5.079) 6.062 ======================= Grid point 344 (111/489) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -18.797 -6.727 3.754) 20.314 1.859 ( -17.408 -3.028 1.949) 17.777 2.586 ( -13.668 -0.729 -0.034) 13.688 2.986 ( -22.143 -7.212 -0.112) 23.288 3.820 ( -36.938 -11.862 -1.791) 38.837 4.337 ( 4.367 1.061 0.188) 4.498 7.979 ( -18.651 -5.534 0.995) 19.480 8.867 ( 10.123 2.847 2.891) 10.906 10.809 ( 5.675 2.193 -0.993) 6.164 11.928 ( -1.654 -1.900 -4.937) 5.542 12.734 ( 30.174 10.220 -0.303) 31.859 15.296 ( 1.337 0.142 1.781) 2.231 ======================= Grid point 345 (112/489) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -20.800 -6.365 7.532) 23.019 1.484 ( -23.061 -3.336 3.200) 23.520 2.374 ( -9.741 -0.739 -0.673) 9.792 2.461 ( -32.425 -5.950 1.176) 32.988 3.084 ( -34.192 -7.175 -1.145) 34.955 4.403 ( 2.749 0.471 -0.993) 2.960 7.646 ( -14.952 -3.116 0.805) 15.295 9.148 ( 17.320 3.904 0.530) 17.762 10.927 ( 6.437 0.721 -0.847) 6.532 11.789 ( -9.112 -3.373 -10.301) 14.161 13.345 ( 29.326 7.462 4.650) 30.616 15.282 ( -2.762 -0.861 -2.448) 3.790 ======================= Grid point 349 (113/489) ======================= q-point: ( 0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 0.000 17.075 21.262) 27.269 1.269 ( 0.000 23.290 9.482) 25.146 2.054 ( 0.000 39.249 10.777) 40.702 2.235 ( -0.000 6.530 -3.057) 7.210 2.658 ( -0.000 26.676 -3.199) 26.867 4.418 ( -0.000 -4.842 -2.350) 5.382 7.494 ( -0.000 11.885 1.926) 12.040 9.323 ( -0.000 -8.824 -4.453) 9.883 10.999 ( -0.000 -5.911 -1.384) 6.071 11.286 ( -0.000 18.105 -32.047) 36.808 13.844 ( 0.000 -27.953 11.939) 30.396 15.108 ( -0.000 9.129 -10.036) 13.567 ======================= Grid point 350 (114/489) ======================= q-point: ( 0.24 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 1.740 16.773 17.616) 24.386 1.583 ( 6.174 20.412 7.575) 22.631 2.340 ( 4.353 9.186 -3.165) 10.646 2.546 ( 11.214 27.085 7.790) 30.332 3.047 ( 11.529 33.399 -2.691) 35.435 4.353 ( -1.241 -3.199 -4.637) 5.769 7.673 ( 4.701 14.617 2.059) 15.491 9.176 ( -4.630 -14.017 2.892) 15.042 10.896 ( -2.938 -5.404 -2.928) 6.812 11.364 ( 1.772 12.358 -30.911) 33.337 13.556 ( -5.340 -27.690 15.112) 31.994 15.161 ( 0.110 5.493 -9.819) 11.252 ======================= Grid point 351 (115/489) ======================= q-point: ( 0.29 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 5.435 14.952 13.297) 20.734 1.905 ( 6.989 16.365 5.215) 18.543 2.548 ( 7.508 13.710 -2.601) 15.846 2.972 ( 11.121 16.613 3.764) 20.343 3.642 ( 18.439 29.483 -3.835) 34.985 4.305 ( 0.023 0.554 -2.965) 3.016 7.955 ( 8.696 16.969 2.153) 19.188 8.917 ( -10.418 -10.963 1.993) 15.255 10.806 ( -0.921 -4.213 -2.103) 4.798 11.384 ( 1.361 3.483 -27.719) 27.970 13.215 ( -8.913 -25.884 18.208) 32.878 15.143 ( -3.122 2.220 -9.903) 10.618 ======================= Grid point 352 (116/489) ======================= q-point: ( 0.35 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 8.039 12.640 9.532) 17.756 2.170 ( 5.544 12.659 3.431) 14.239 2.841 ( 8.253 17.828 -1.708) 19.720 3.286 ( 9.295 9.636 -0.549) 13.400 4.024 ( 4.857 4.895 -9.289) 11.569 4.514 ( 15.332 19.120 4.808) 24.975 8.308 ( 10.505 17.633 2.036) 20.626 8.669 ( -8.228 -3.396 -1.781) 9.077 10.762 ( -0.960 -0.991 -0.626) 1.515 11.303 ( -0.727 -5.069 -23.758) 24.304 12.846 ( -11.899 -23.651 18.899) 32.529 15.052 ( -4.789 0.075 -9.352) 10.507 ======================= Grid point 353 (117/489) ======================= q-point: ( 0.41 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 9.092 9.450 7.574) 15.144 2.376 ( 3.733 11.649 1.739) 12.356 3.153 ( 6.425 19.235 -1.271) 20.319 3.462 ( 4.856 2.990 -7.633) 9.528 4.056 ( 1.308 0.494 -1.257) 1.880 5.027 ( 17.966 17.337 3.183) 25.169 8.508 ( 0.146 2.667 -2.577) 3.711 8.743 ( 9.472 18.406 -0.282) 20.702 10.738 ( -3.054 2.678 -0.236) 4.069 11.126 ( -3.136 -9.974 -18.257) 21.039 12.445 ( -15.220 -20.463 15.715) 29.956 14.948 ( -2.725 -1.813 -7.174) 7.885 ======================= Grid point 354 (118/489) ======================= q-point: ( 0.47 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( 2.335 9.151 2.478) 9.764 2.592 ( 8.217 8.874 4.448) 12.886 3.403 ( 2.417 10.607 -5.711) 12.286 3.491 ( 0.218 6.644 -8.133) 10.505 4.102 ( 2.126 0.860 4.856) 5.370 5.457 ( 14.624 10.301 2.105) 18.011 8.602 ( 7.800 6.247 -4.123) 10.810 9.094 ( 8.416 18.289 -0.633) 20.142 10.688 ( -5.357 1.494 -2.352) 6.038 10.909 ( -6.083 -8.648 -8.821) 13.770 12.025 ( -16.976 -13.986 9.446) 23.938 14.891 ( 1.548 -4.092 -3.794) 5.791 ======================= Grid point 355 (119/489) ======================= q-point: ( 0.53 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( -1.022 9.895 0.731) 9.974 2.817 ( 7.962 4.784 3.893) 10.072 3.349 ( -2.718 -2.826 -12.543) 13.142 3.644 ( -1.575 18.294 -0.513) 18.369 4.156 ( 1.624 -0.347 5.305) 5.559 5.746 ( 10.203 3.694 1.579) 10.965 8.868 ( 15.313 8.494 -4.256) 18.021 9.363 ( 3.709 14.215 -1.937) 14.818 10.576 ( -3.185 -4.756 -4.556) 7.316 10.674 ( -14.276 -3.119 2.140) 14.768 11.688 ( -13.226 -2.795 2.607) 13.767 14.891 ( 5.031 -6.345 -0.500) 8.113 ======================= Grid point 356 (120/489) ======================= q-point: ( 0.59 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( -3.998 9.033 -0.177) 9.879 2.941 ( 1.487 -1.193 -0.942) 2.126 3.285 ( 2.238 1.874 -6.582) 7.200 3.752 ( -6.160 16.732 0.028) 17.830 4.172 ( 0.025 -2.474 3.792) 4.528 5.890 ( 4.790 -1.692 1.259) 5.233 9.235 ( 18.409 5.627 -4.829) 19.846 9.465 ( -2.970 5.820 -1.627) 6.734 10.380 ( -18.944 3.603 4.724) 19.854 10.508 ( 1.954 -3.466 -1.232) 4.165 11.531 ( -7.797 5.649 -1.260) 9.710 14.925 ( 6.385 -7.683 2.059) 10.200 ======================= Grid point 357 (121/489) ======================= q-point: (-0.35 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -6.260 5.512 -1.080) 8.411 2.850 ( -6.642 -1.856 -4.566) 8.271 3.427 ( 9.699 4.323 -1.228) 10.690 3.762 ( -10.952 14.580 0.623) 18.245 4.126 ( -2.338 -4.615 2.298) 5.661 5.884 ( -1.784 -5.442 1.004) 5.814 9.289 ( -6.052 -11.076 -1.414) 12.701 9.563 ( 2.476 5.414 1.358) 6.106 10.243 ( -2.666 13.277 -1.374) 13.611 10.569 ( 3.930 3.866 1.766) 5.789 11.495 ( -3.143 6.637 -2.677) 7.816 14.967 ( 6.211 -7.485 3.870) 10.468 ======================= Grid point 358 (122/489) ======================= q-point: (-0.29 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( -7.367 -0.719 -2.329) 7.760 2.696 ( -10.067 2.659 -2.370) 10.678 3.631 ( 0.522 6.116 -2.210) 6.524 3.689 ( -4.347 9.296 2.278) 10.512 4.013 ( -5.278 -6.009 1.482) 8.134 5.727 ( -9.330 -7.412 0.766) 11.941 9.030 ( -9.078 -11.994 3.456) 15.434 9.463 ( -15.018 0.881 2.504) 15.251 10.522 ( 12.542 13.868 -4.524) 19.237 10.713 ( 7.397 8.542 0.117) 11.301 11.540 ( 3.418 3.918 -2.939) 5.972 15.016 ( 5.758 -5.707 4.883) 9.464 ======================= Grid point 359 (123/489) ======================= q-point: (-0.24 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( -9.174 -3.471 -1.871) 9.986 2.536 ( -11.852 3.367 -0.423) 12.328 3.465 ( -18.491 7.889 0.408) 20.107 3.832 ( -7.828 -5.601 -2.887) 10.049 3.892 ( 10.031 2.307 3.110) 10.752 5.419 ( -17.712 -7.946 0.563) 19.420 8.795 ( -7.209 -8.610 4.847) 12.231 9.156 ( -19.894 -1.513 2.238) 20.077 10.686 ( -2.040 9.047 -0.505) 9.288 11.124 ( 25.693 10.460 -6.566) 28.507 11.665 ( 8.251 1.166 -1.473) 8.462 15.085 ( 5.665 -3.162 4.720) 8.023 ======================= Grid point 360 (124/489) ======================= q-point: (-0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -12.723 -3.329 0.285) 13.154 2.348 ( -12.637 1.284 0.487) 12.711 3.189 ( -20.167 4.235 0.347) 20.610 3.589 ( -12.949 -5.239 -0.340) 13.972 4.089 ( 9.284 1.727 -0.953) 9.491 4.962 ( -26.537 -7.381 0.718) 27.553 8.618 ( -10.295 -4.699 2.818) 11.662 8.818 ( -13.706 -2.528 2.758) 14.207 10.719 ( -1.347 5.397 -0.823) 5.623 11.657 ( 26.153 7.507 -19.212) 33.308 11.833 ( 11.080 0.797 12.549) 16.759 15.173 ( 5.400 -1.287 2.970) 6.296 ======================= Grid point 361 (125/489) ======================= q-point: (-0.12 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -16.889 -2.729 2.752) 17.328 2.124 ( -14.522 -0.322 1.300) 14.584 2.874 ( -18.962 1.233 -0.156) 19.003 3.282 ( -17.733 -3.175 0.114) 18.015 4.219 ( 1.471 0.604 -6.507) 6.698 4.388 ( -29.228 -4.834 4.963) 30.038 8.288 ( -20.808 -2.687 1.166) 21.013 8.752 ( 4.330 -1.188 1.762) 4.823 10.758 ( 1.983 2.212 -0.779) 3.071 11.852 ( 5.928 -0.376 -17.049) 18.054 12.315 ( 28.607 5.685 12.627) 31.783 15.250 ( 3.954 -0.963 -0.227) 4.076 ======================= Grid point 362 (126/489) ======================= q-point: (-0.06 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -19.958 -1.208 5.304) 20.686 1.837 ( -18.852 -0.784 1.966) 18.970 2.581 ( -14.872 -0.162 -0.922) 14.902 2.918 ( -23.113 0.452 1.685) 23.179 3.691 ( -38.333 0.578 -1.415) 38.363 4.342 ( 3.964 -0.155 -1.080) 4.111 7.926 ( -18.965 -0.381 0.884) 18.989 8.897 ( 12.840 -1.254 0.452) 12.909 10.830 ( 4.928 0.483 -0.631) 4.992 11.827 ( -2.246 -1.000 -16.919) 17.096 12.905 ( 29.868 2.736 12.758) 32.594 15.276 ( 1.076 -1.487 -4.037) 4.435 ======================= Grid point 367 (127/489) ======================= q-point: ( 0.24 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 0.000 15.480 16.965) 22.966 1.736 ( 0.000 18.028 6.900) 19.303 2.381 ( -0.000 10.377 -3.478) 10.944 2.749 ( 0.000 25.686 5.779) 26.328 3.303 ( -0.000 37.595 -2.783) 37.698 4.320 ( -0.000 -2.049 -4.994) 5.398 7.797 ( -0.000 17.052 1.878) 17.155 9.097 ( 0.000 -11.905 4.882) 12.867 10.858 ( -0.000 -7.086 -1.439) 7.231 11.349 ( -0.000 6.928 -32.765) 33.490 13.360 ( 0.000 -28.707 16.277) 33.001 15.190 ( -0.000 5.316 -9.011) 10.462 ======================= Grid point 368 (128/489) ======================= q-point: ( 0.29 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 0.901 14.294 13.375) 19.596 1.970 ( 5.040 13.978 6.087) 16.057 2.546 ( 6.644 13.411 -2.804) 15.227 3.033 ( 4.201 19.488 2.559) 20.099 3.718 ( 7.126 30.683 -5.050) 31.902 4.311 ( 0.625 4.374 -2.009) 4.854 8.024 ( 4.842 18.969 1.922) 19.672 8.962 ( -5.334 -8.909 4.060) 11.150 10.768 ( -1.132 -5.620 -1.948) 6.055 11.297 ( 0.998 -0.656 -29.630) 29.654 13.100 ( -3.360 -27.701 17.536) 32.956 15.192 ( -2.223 3.422 -8.519) 9.446 ======================= Grid point 369 (129/489) ======================= q-point: ( 0.35 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 3.747 12.360 10.341) 16.545 2.205 ( 5.820 10.988 4.494) 13.221 2.847 ( 10.727 16.918 -1.665) 20.101 3.270 ( 4.418 11.990 -1.984) 12.931 3.986 ( 3.328 7.353 -8.334) 11.601 4.527 ( 8.844 22.778 4.019) 24.762 8.343 ( 8.204 19.838 2.425) 21.604 8.780 ( -8.255 -3.050 0.410) 8.810 10.729 ( 2.002 -2.322 -1.297) 3.329 11.182 ( -0.307 -7.300 -24.776) 25.831 12.802 ( -6.215 -26.283 17.249) 32.046 15.123 ( -5.437 1.368 -8.198) 9.932 ======================= Grid point 370 (130/489) ======================= q-point: ( 0.41 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 5.783 9.675 8.651) 14.209 2.419 ( 5.489 10.602 2.737) 12.248 3.210 ( 9.807 19.273 -1.310) 21.664 3.397 ( 3.218 3.631 -8.115) 9.454 4.041 ( 1.451 2.529 -1.588) 3.320 4.964 ( 12.269 21.274 3.027) 24.744 8.572 ( -3.236 4.949 -0.040) 5.913 8.785 ( 7.224 18.286 0.543) 19.668 10.774 ( 2.607 2.554 -0.525) 3.687 10.997 ( -1.667 -11.678 -19.889) 23.124 12.470 ( -8.672 -24.179 14.937) 29.714 14.994 ( -6.602 -0.768 -7.355) 9.913 ======================= Grid point 371 (131/489) ======================= q-point: ( 0.47 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 6.217 6.361 7.478) 11.621 2.625 ( 4.454 12.069 1.241) 12.924 3.381 ( 0.247 -0.606 -11.559) 11.577 3.568 ( 6.837 18.549 -1.947) 19.865 4.100 ( 1.746 2.715 4.101) 5.219 5.348 ( 11.232 12.926 1.923) 17.232 8.585 ( 0.938 6.904 -1.631) 7.156 9.141 ( 8.517 19.779 1.353) 21.578 10.736 ( -4.875 -8.347 -13.039) 16.232 10.891 ( 1.614 2.441 -1.838) 3.456 12.123 ( -10.185 -19.436 10.672) 24.401 14.855 ( -4.156 -3.596 -5.481) 7.761 ======================= Grid point 372 (132/489) ======================= q-point: ( 0.53 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( 5.324 5.410 5.576) 9.418 2.805 ( 2.182 10.840 0.361) 11.063 3.313 ( -0.851 -2.784 -12.118) 12.463 3.820 ( 2.036 16.208 -0.487) 16.343 4.173 ( 0.697 4.727 4.890) 6.837 5.615 ( 9.269 4.276 1.415) 10.306 8.746 ( 8.273 9.647 -1.160) 12.761 9.437 ( 4.483 15.045 0.386) 15.704 10.523 ( -2.937 -10.900 -10.171) 15.194 10.906 ( -7.741 7.596 2.135) 11.054 11.834 ( -8.306 -9.207 4.839) 13.311 14.760 ( 0.799 -6.964 -2.785) 7.542 ======================= Grid point 373 (133/489) ======================= q-point: ( 0.59 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( 0.435 8.784 2.569) 9.162 2.893 ( 0.775 1.611 -0.978) 2.037 3.263 ( 0.421 1.913 -8.729) 8.946 3.952 ( -0.106 6.977 2.076) 7.280 4.238 ( -3.910 10.807 2.203) 11.701 5.766 ( 6.973 -2.765 1.251) 7.605 9.025 ( 12.594 8.497 -1.219) 15.241 9.567 ( -2.061 6.371 -0.366) 6.706 10.391 ( 1.882 -8.555 -5.629) 10.412 10.787 ( -15.817 10.903 4.509) 19.732 11.694 ( -5.599 1.984 -0.515) 5.963 14.729 ( 5.603 -9.457 0.003) 10.992 ======================= Grid point 374 (134/489) ======================= q-point: (-0.35 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( -6.490 0.609 -3.457) 7.378 2.936 ( -1.555 5.645 0.556) 5.881 3.330 ( 5.166 5.004 -4.248) 8.353 3.982 ( -0.622 -0.758 4.014) 4.132 4.246 ( -10.354 14.194 -0.272) 17.571 5.811 ( 3.456 -6.914 1.127) 7.811 9.219 ( 2.501 -4.203 -2.422) 5.458 9.587 ( 1.528 7.128 2.524) 7.714 10.338 ( 1.112 -5.763 -4.905) 7.649 10.717 ( -9.288 18.874 5.893) 21.846 11.628 ( -5.923 4.420 -3.463) 8.162 14.759 ( 8.353 -9.659 2.127) 12.946 ======================= Grid point 375 (135/489) ======================= q-point: (-0.29 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( -7.215 -2.030 -2.975) 8.064 2.913 ( -8.678 7.453 -0.549) 11.452 3.492 ( 9.493 3.450 -3.277) 10.619 3.949 ( -2.321 -3.264 5.265) 6.615 4.152 ( -15.497 11.970 -1.514) 19.640 5.754 ( -2.013 -7.752 0.911) 8.060 9.063 ( -7.399 -9.938 0.511) 12.401 9.670 ( -5.261 3.097 2.702) 6.676 10.387 ( 10.970 4.318 -5.806) 13.141 10.833 ( -3.294 18.482 5.482) 19.558 11.553 ( -3.475 0.575 -4.626) 5.815 14.832 ( 9.014 -7.581 3.041) 12.164 ======================= Grid point 376 (136/489) ======================= q-point: (-0.24 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( -8.060 -1.851 -1.294) 8.370 2.789 ( -12.402 5.086 -0.448) 13.412 3.679 ( 8.795 2.333 -6.129) 10.971 3.879 ( -4.889 -0.976 8.599) 9.940 3.944 ( -17.195 5.036 -2.651) 18.112 5.589 ( -9.504 -6.169 0.676) 11.351 8.845 ( -7.312 -7.773 2.163) 10.889 9.478 ( -16.874 -0.578 1.698) 16.969 10.722 ( 18.390 8.118 -6.112) 21.011 10.941 ( -3.499 12.585 2.903) 13.381 11.537 ( 5.048 -2.169 -2.177) 5.910 14.933 ( 8.590 -4.599 2.483) 10.055 ======================= Grid point 377 (137/489) ======================= q-point: (-0.18 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -9.830 -0.985 0.685) 9.903 2.595 ( -13.744 1.932 0.191) 13.880 3.601 ( -21.067 4.495 0.034) 21.542 3.716 ( -7.109 -3.126 -5.079) 9.279 3.940 ( 8.550 0.633 3.502) 9.262 5.302 ( -18.452 -3.532 0.688) 18.800 8.683 ( -5.014 -4.343 1.471) 6.795 9.137 ( -21.123 -1.280 1.127) 21.192 10.849 ( -6.748 5.627 -0.175) 8.788 11.227 ( 24.483 4.448 -10.874) 27.156 11.675 ( 10.926 -0.006 6.768) 12.852 15.045 ( 7.670 -2.390 0.496) 8.049 ======================= Grid point 378 (138/489) ======================= q-point: (-0.12 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -13.341 0.165 2.515) 13.577 2.367 ( -13.719 -0.152 0.889) 13.748 3.237 ( -21.894 -0.371 -0.490) 21.903 3.525 ( -12.384 0.005 -1.577) 12.484 4.100 ( 8.307 0.266 -1.571) 8.459 4.890 ( -27.219 -0.082 1.503) 27.261 8.567 ( -8.578 -1.436 0.234) 8.701 8.786 ( -14.424 -1.306 -0.237) 14.485 10.783 ( -3.141 0.432 -0.126) 3.173 11.590 ( 17.631 1.064 -22.159) 28.337 11.981 ( 19.839 1.809 20.324) 28.459 15.143 ( 6.105 -1.812 -2.530) 6.852 ======================= Grid point 379 (139/489) ======================= q-point: (-0.06 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -17.236 1.855 3.957) 17.781 2.125 ( -14.656 -0.429 1.396) 14.729 2.866 ( -18.962 -1.580 -0.985) 19.053 3.284 ( -16.941 3.136 0.348) 17.232 4.190 ( -0.973 1.179 -7.992) 8.136 4.412 ( -27.052 3.673 5.938) 27.939 8.282 ( -20.559 1.581 0.608) 20.628 8.711 ( 4.960 -2.523 -2.547) 6.120 10.767 ( 1.898 -1.254 0.109) 2.277 11.731 ( 6.640 0.293 -21.599) 22.599 12.471 ( 26.969 -0.620 20.990) 34.180 15.196 ( 3.854 -2.313 -5.900) 7.417 ======================= Grid point 385 (140/489) ======================= q-point: ( 0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 0.000 12.214 13.336) 18.084 2.057 ( 0.000 11.048 3.771) 11.674 2.609 ( -0.000 14.007 -2.547) 14.237 3.195 ( -0.000 17.482 -0.165) 17.483 3.901 ( -0.000 17.866 -7.895) 19.533 4.402 ( -0.000 17.951 2.152) 18.080 8.179 ( -0.000 19.831 1.041) 19.858 8.952 ( 0.000 -5.014 3.915) 6.361 10.714 ( 0.000 -6.340 -0.891) 6.402 11.160 ( -0.000 -6.210 -29.245) 29.897 12.906 ( 0.000 -27.269 17.069) 32.170 15.225 ( -0.000 3.473 -7.230) 8.021 ======================= Grid point 386 (141/489) ======================= q-point: ( 0.35 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 1.881 9.950 6.167) 11.856 2.228 ( 3.683 8.894 7.742) 12.353 2.823 ( 8.583 14.980 -1.634) 17.342 3.341 ( 0.525 11.085 -5.310) 12.302 3.997 ( 0.937 6.006 -5.715) 8.343 4.686 ( 3.715 27.918 3.794) 28.418 8.428 ( 5.388 19.925 0.919) 20.661 8.883 ( -5.185 -0.538 0.741) 5.265 10.662 ( 1.325 -3.908 -0.611) 4.172 11.006 ( 1.271 -10.793 -24.067) 26.406 12.663 ( -2.808 -26.596 15.444) 30.883 15.204 ( -3.803 2.569 -6.484) 7.943 ======================= Grid point 387 (142/489) ======================= q-point: ( 0.41 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 3.612 8.718 7.383) 11.981 2.410 ( 6.416 7.336 4.070) 10.561 3.170 ( 13.649 15.641 -1.227) 20.796 3.388 ( -0.572 3.590 -10.556) 11.164 4.055 ( 0.821 4.845 0.151) 4.917 5.050 ( 5.693 24.591 2.835) 25.400 8.692 ( -0.942 10.056 0.387) 10.107 8.854 ( 3.265 13.888 -1.109) 14.310 10.702 ( 5.813 -0.082 -0.058) 5.814 10.835 ( -0.162 -12.820 -18.468) 22.482 12.378 ( -4.961 -25.492 12.922) 29.008 15.103 ( -7.662 1.048 -6.107) 9.853 ======================= Grid point 388 (143/489) ======================= q-point: ( 0.47 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 4.205 5.749 7.957) 10.679 2.627 ( 8.124 8.903 1.521) 12.148 3.341 ( -1.063 -1.549 -12.444) 12.585 3.570 ( 12.976 16.928 -1.404) 21.376 4.120 ( 0.967 3.898 3.922) 5.613 5.360 ( 5.081 16.687 1.779) 17.534 8.683 ( -3.722 7.808 -1.518) 8.782 9.187 ( 9.604 19.186 1.181) 21.488 10.629 ( -2.005 -13.643 -14.366) 19.913 10.856 ( 7.940 5.282 0.210) 9.539 12.075 ( -5.799 -22.660 10.018) 25.445 14.934 ( -9.297 -1.232 -5.564) 10.904 ======================= Grid point 389 (144/489) ======================= q-point: ( 0.53 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 5.078 3.524 6.619) 9.056 2.857 ( 6.144 10.383 0.493) 12.074 3.260 ( -0.891 -2.937 -11.396) 11.802 3.895 ( 5.344 12.901 -1.018) 14.001 4.214 ( 4.192 6.665 4.554) 9.096 5.558 ( 3.537 7.218 1.098) 8.113 8.760 ( 2.248 10.811 0.041) 11.043 9.503 ( 5.826 14.848 1.114) 15.989 10.415 ( -2.577 -12.855 -10.800) 16.986 11.048 ( 3.658 10.229 0.371) 10.869 11.818 ( -3.350 -16.066 6.708) 17.730 14.743 ( -7.196 -4.486 -4.338) 9.525 ======================= Grid point 390 (145/489) ======================= q-point: ( 0.59 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( 5.645 1.710 4.260) 7.276 2.995 ( -1.974 7.122 -1.596) 7.561 3.232 ( 3.313 2.327 -7.822) 8.808 3.980 ( -1.069 0.254 2.486) 2.718 4.430 ( 2.999 17.694 1.192) 17.986 5.640 ( 3.310 -2.421 0.899) 4.198 8.960 ( 6.919 11.278 1.504) 13.316 9.659 ( -0.937 6.878 0.174) 6.944 10.245 ( 0.746 -11.083 -7.355) 13.322 11.131 ( -7.827 12.530 2.650) 15.010 11.721 ( 1.979 -4.192 1.626) 4.913 14.591 ( -1.464 -7.906 -2.278) 8.357 ======================= Grid point 391 (146/489) ======================= q-point: ( 0.65 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( -1.146 -1.833 -2.092) 3.008 3.002 ( 0.400 5.239 1.560) 5.481 3.334 ( 2.005 8.932 -5.490) 10.674 3.938 ( -0.287 -6.615 4.213) 7.848 4.602 ( -6.848 21.226 -0.410) 22.307 5.650 ( 5.008 -9.494 0.982) 10.778 9.163 ( 3.517 4.677 0.816) 5.908 9.657 ( -2.063 4.245 1.409) 4.926 10.179 ( 4.784 -9.117 -5.552) 11.697 11.110 ( -10.683 16.371 5.004) 20.179 11.729 ( -2.024 1.883 -2.816) 3.947 14.536 ( 5.513 -9.253 -0.032) 10.771 ======================= Grid point 392 (147/489) ======================= q-point: (-0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( -6.088 -1.414 -2.308) 6.662 3.081 ( -0.740 5.426 1.343) 5.638 3.420 ( 1.301 7.111 -5.300) 8.963 3.888 ( 1.980 -8.397 4.857) 9.900 4.590 ( -16.400 16.771 -0.784) 23.470 5.644 ( 4.999 -9.582 0.880) 10.843 9.113 ( -7.068 -4.497 0.203) 8.380 9.746 ( 1.528 5.877 3.060) 6.800 10.197 ( 8.930 -4.283 -5.269) 11.219 11.150 ( -6.917 18.656 6.101) 20.812 11.633 ( -7.759 -1.598 -5.152) 9.450 14.592 ( 10.011 -7.314 1.075) 12.444 ======================= Grid point 393 (148/489) ======================= q-point: (-0.24 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( -7.277 -0.327 -0.358) 7.293 3.037 ( -9.925 3.842 -0.075) 10.643 3.526 ( 7.419 2.764 -5.488) 9.634 3.868 ( 1.393 -5.271 4.969) 7.377 4.380 ( -21.216 7.786 -0.356) 22.602 5.621 ( -0.298 -4.720 0.558) 4.763 8.925 ( -8.667 -4.054 0.902) 9.611 9.710 ( -9.466 -0.133 1.168) 9.539 10.422 ( 18.176 2.726 -4.051) 18.821 11.243 ( -8.770 16.761 5.673) 19.749 11.444 ( -2.194 -8.310 -4.560) 9.729 14.723 ( 10.832 -3.930 0.416) 11.530 ======================= Grid point 394 (149/489) ======================= q-point: (-0.18 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( -8.253 0.837 1.588) 8.446 2.846 ( -13.529 0.165 0.076) 13.530 3.666 ( 7.092 1.602 -9.433) 11.910 3.849 ( -1.390 -2.735 5.571) 6.360 4.045 ( -20.743 0.899 1.891) 20.848 5.522 ( -8.952 -0.226 0.457) 8.966 8.760 ( -7.380 -1.141 -0.014) 7.468 9.469 ( -17.311 -0.839 0.411) 17.336 10.789 ( 21.546 2.516 -4.904) 22.240 11.083 ( -11.562 -2.854 -2.444) 12.157 11.524 ( 8.799 2.821 5.932) 10.980 14.874 ( 9.483 -1.408 -1.552) 9.712 ======================= Grid point 395 (150/489) ======================= q-point: (-0.12 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( -10.019 2.092 3.165) 10.713 2.598 ( -13.830 -1.845 0.559) 13.964 3.584 ( -20.170 -4.658 -2.095) 20.806 3.687 ( -5.471 2.637 -6.588) 8.960 3.966 ( 5.819 -0.398 4.953) 7.652 5.304 ( -18.213 3.244 0.887) 18.521 8.647 ( -5.475 1.062 -2.391) 6.068 9.124 ( -21.251 -0.307 -0.205) 21.255 10.852 ( -6.746 -5.380 0.050) 8.629 11.184 ( 22.408 -0.192 -12.490) 25.654 11.764 ( 13.452 1.210 13.330) 18.977 15.002 ( 7.261 -0.621 -4.122) 8.372 ======================= Grid point 396 (151/489) ======================= q-point: (-0.06 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -13.433 3.700 4.088) 14.521 2.351 ( -12.734 -1.662 0.825) 12.868 3.176 ( -20.029 -4.231 -1.097) 20.500 3.561 ( -11.008 4.225 -3.358) 12.260 4.085 ( 6.838 -0.783 -1.331) 7.011 4.976 ( -25.775 7.078 2.100) 26.811 8.564 ( -6.374 2.020 -3.182) 7.405 8.768 ( -17.453 0.348 -2.348) 17.614 10.733 ( -1.061 -4.752 0.620) 4.909 11.469 ( 15.881 -0.790 -18.768) 24.598 12.105 ( 20.909 -2.809 21.057) 29.807 15.080 ( 4.765 -1.164 -6.739) 8.335 ======================= Grid point 403 (152/489) ======================= q-point: ( 0.35 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 0.000 6.719 1.219) 6.829 2.324 ( 0.000 8.042 10.690) 13.377 2.881 ( -0.000 13.755 -1.320) 13.818 3.402 ( -0.000 5.677 -10.324) 11.782 4.040 ( -0.000 6.508 -1.114) 6.603 4.954 ( -0.000 28.615 3.357) 28.811 8.570 ( -0.000 18.583 -0.666) 18.595 8.938 ( -0.000 2.339 -1.908) 3.019 10.611 ( 0.000 -3.438 0.419) 3.463 10.805 ( -0.000 -12.742 -19.408) 23.217 12.466 ( 0.000 -26.437 12.843) 29.391 15.251 ( -0.000 3.053 -5.100) 5.944 ======================= Grid point 404 (153/489) ======================= q-point: ( 0.41 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 4.983 6.001 0.690) 7.831 2.434 ( 1.218 5.803 9.474) 11.177 3.095 ( 9.598 12.659 -1.077) 15.923 3.388 ( -0.640 0.634 -13.203) 13.233 4.113 ( -0.078 7.057 2.397) 7.453 5.249 ( 1.565 24.869 2.580) 25.052 8.787 ( 3.632 14.577 -1.232) 15.073 8.937 ( -1.081 7.369 -5.171) 9.067 10.611 ( 2.469 -3.199 -1.028) 4.169 10.648 ( 1.988 -10.267 -10.749) 14.997 12.219 ( -2.232 -25.746 9.883) 27.668 15.221 ( -5.216 2.593 -4.445) 7.328 ======================= Grid point 405 (154/489) ======================= q-point: ( 0.47 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 4.814 5.452 4.129) 8.363 2.554 ( 6.747 4.495 4.721) 9.382 3.302 ( -0.150 -1.266 -12.052) 12.119 3.463 ( 14.602 11.933 -1.823) 18.946 4.176 ( -0.930 5.176 3.698) 6.429 5.497 ( 0.871 18.617 1.726) 18.717 8.829 ( -4.529 7.503 -4.615) 9.905 9.183 ( 11.418 15.926 -1.503) 19.654 10.487 ( -0.931 -11.460 -8.559) 14.334 10.736 ( 8.783 1.753 1.186) 9.035 11.950 ( -3.191 -23.113 7.308) 24.450 15.094 ( -10.109 1.267 -4.280) 11.051 ======================= Grid point 406 (155/489) ======================= q-point: ( 0.53 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 3.396 2.439 6.399) 7.644 2.788 ( 11.113 6.411 0.788) 12.854 3.225 ( -1.670 -2.283 -10.429) 10.806 3.859 ( 14.664 12.831 -1.689) 19.558 4.212 ( 0.601 2.261 4.280) 4.877 5.644 ( -1.760 11.030 0.998) 11.214 8.855 ( -0.659 9.910 -2.246) 10.183 9.518 ( 9.376 13.031 -0.572) 16.064 10.319 ( -3.490 -9.945 -6.443) 12.353 10.962 ( 13.518 4.030 0.250) 14.108 11.715 ( -2.398 -17.272 5.777) 18.370 14.883 ( -12.688 -0.879 -4.031) 13.342 ======================= Grid point 407 (156/489) ======================= q-point: ( 0.59 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 4.328 0.840 4.300) 6.159 3.036 ( 7.114 6.976 0.575) 9.980 3.157 ( 1.224 -1.102 -7.602) 7.778 4.042 ( -3.214 3.072 0.557) 4.480 4.414 ( 15.089 9.942 1.700) 18.150 5.657 ( -4.860 2.584 0.532) 5.530 8.991 ( 3.977 11.285 1.000) 12.007 9.720 ( 2.524 6.583 -0.859) 7.102 10.137 ( -3.856 -9.419 -4.954) 11.320 11.248 ( 10.092 8.553 -1.019) 13.268 11.589 ( 2.773 -9.576 4.985) 11.146 14.637 ( -11.184 -3.535 -3.125) 12.139 ======================= Grid point 408 (157/489) ======================= q-point: ( 0.65 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( 3.641 -0.456 1.142) 3.843 3.052 ( -2.561 1.252 -1.441) 3.194 3.321 ( 9.096 7.391 -2.601) 12.005 3.947 ( -6.266 -3.768 2.033) 7.589 4.787 ( 10.522 16.171 0.057) 19.293 5.542 ( -5.281 -7.124 0.476) 8.881 9.180 ( 3.739 8.343 2.295) 9.426 9.747 ( -3.125 3.483 -0.100) 4.680 10.002 ( 1.552 -9.429 -4.469) 10.549 11.383 ( -3.827 9.478 2.247) 10.466 11.675 ( 8.899 -1.170 -0.007) 8.975 14.442 ( -4.486 -5.282 -1.463) 7.082 ======================= Grid point 409 (158/489) ======================= q-point: (-0.29 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( -2.541 -0.240 -0.858) 2.693 3.066 ( 3.159 0.884 0.451) 3.311 3.512 ( 2.409 10.837 -3.930) 11.777 3.796 ( -3.104 -9.545 3.750) 10.715 5.006 ( -9.985 18.265 -0.639) 20.826 5.412 ( 6.969 -14.016 0.765) 15.671 9.213 ( -5.728 0.189 1.017) 5.820 9.782 ( 1.208 5.569 2.260) 6.130 9.982 ( 7.475 -5.927 -4.257) 10.446 11.397 ( -4.402 6.917 3.138) 8.779 11.730 ( -3.324 0.832 -2.325) 4.141 14.395 ( 4.872 -3.982 -0.173) 6.294 ======================= Grid point 410 (159/489) ======================= q-point: (-0.24 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( -6.028 1.194 0.739) 6.189 3.128 ( 1.720 -0.912 -0.764) 2.091 3.527 ( -5.819 4.188 -3.933) 8.178 3.769 ( 6.010 -3.901 3.667) 8.049 4.790 ( -20.694 0.466 -0.077) 20.700 5.518 ( 8.608 -0.481 0.239) 8.625 9.068 ( -9.463 -0.185 1.096) 9.528 9.799 ( -1.761 -2.213 -0.890) 2.965 10.158 ( 13.632 3.133 -0.934) 14.018 11.366 ( -2.136 -6.201 -1.129) 6.655 11.598 ( -12.125 5.859 1.835) 13.591 14.510 ( 10.218 -0.542 -0.647) 10.253 ======================= Grid point 411 (160/489) ======================= q-point: (-0.18 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( -7.353 2.296 2.569) 8.120 3.034 ( -9.077 -3.890 -0.475) 9.887 3.530 ( 5.481 0.498 -5.370) 7.689 3.846 ( 2.110 0.990 2.912) 3.730 4.390 ( -20.871 -6.910 0.744) 21.997 5.617 ( -0.146 4.148 0.107) 4.152 8.919 ( -9.543 3.179 0.312) 10.063 9.686 ( -8.579 -2.037 -1.327) 8.917 10.450 ( 17.284 1.704 -1.234) 17.411 11.141 ( -6.773 -16.878 -4.402) 18.712 11.554 ( -3.474 7.948 6.535) 10.860 14.697 ( 10.207 2.080 -2.389) 10.687 ======================= Grid point 412 (161/489) ======================= q-point: (-0.12 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( -8.246 2.998 3.838) 9.577 2.797 ( -12.240 -4.550 0.371) 13.063 3.632 ( 6.651 0.653 -10.107) 12.117 3.818 ( -9.858 -4.438 0.907) 10.849 4.018 ( -10.583 -3.043 5.474) 12.297 5.586 ( -9.198 5.798 0.428) 10.882 8.801 ( -9.265 5.844 -2.496) 11.235 9.450 ( -16.436 -0.905 -1.230) 16.507 10.771 ( 20.453 -1.797 -3.241) 20.786 10.865 ( -4.939 -13.930 -2.143) 14.934 11.639 ( 5.396 1.117 7.849) 9.591 14.868 ( 7.668 2.861 -4.308) 9.249 ======================= Grid point 413 (162/489) ======================= q-point: (-0.06 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( -9.258 3.093 4.073) 10.576 2.548 ( -12.475 -2.176 1.109) 12.711 3.449 ( -18.300 -7.204 -1.345) 19.713 3.683 ( -0.195 1.863 -10.808) 10.970 3.998 ( 1.734 0.513 6.572) 6.816 5.425 ( -17.149 7.605 1.156) 18.796 8.696 ( -8.420 6.210 -5.699) 11.913 9.117 ( -20.179 0.112 -1.871) 20.266 10.697 ( -1.461 -8.278 0.478) 8.419 11.084 ( 20.374 -3.817 -8.406) 22.369 11.816 ( 14.004 -4.833 12.291) 19.249 14.984 ( 4.510 2.119 -5.894) 7.718 ======================= Grid point 421 (163/489) ======================= q-point: ( 0.41 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -0.000 4.433 0.098) 4.434 2.502 ( 0.000 4.111 8.599) 9.531 3.121 ( -0.000 10.710 -0.690) 10.733 3.342 ( -0.000 -2.055 -13.905) 14.056 4.199 ( 0.000 7.423 3.341) 8.140 5.481 ( -0.000 21.967 2.038) 22.062 8.884 ( -0.000 13.368 -2.322) 13.568 8.982 ( -0.000 4.771 -10.089) 11.161 10.492 ( -0.000 -9.639 -4.866) 10.797 10.590 ( 0.000 0.629 1.799) 1.906 12.006 ( 0.000 -25.476 6.610) 26.320 15.287 ( -0.000 3.138 -3.328) 4.574 ======================= Grid point 422 (164/489) ======================= q-point: ( 0.47 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 6.091 3.852 -0.056) 7.207 2.567 ( 0.953 2.433 7.630) 8.065 3.254 ( 0.742 0.202 -9.486) 9.517 3.331 ( 9.444 6.322 -3.208) 11.809 4.265 ( -1.333 5.686 3.115) 6.619 5.681 ( -0.336 17.113 1.375) 17.171 8.940 ( -2.942 5.820 -8.674) 10.852 9.110 ( 10.129 10.165 -4.514) 15.043 10.404 ( -1.060 -5.879 -0.030) 5.974 10.641 ( 3.814 1.306 2.000) 4.500 11.769 ( -0.579 -22.990 3.966) 23.337 15.252 ( -6.465 2.642 -2.951) 7.582 ======================= Grid point 423 (165/489) ======================= q-point: ( 0.53 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 4.721 2.319 2.588) 5.862 2.647 ( 8.189 2.305 3.707) 9.280 3.200 ( -0.895 -1.474 -8.709) 8.878 3.657 ( 18.089 7.950 -0.890) 19.779 4.278 ( -3.091 2.826 2.567) 4.912 5.804 ( -2.582 11.340 0.780) 11.656 8.941 ( -0.760 6.817 -6.138) 9.205 9.416 ( 13.996 8.394 -2.843) 16.566 10.321 ( -4.527 -2.018 0.903) 5.038 10.752 ( 9.433 -2.366 1.048) 9.781 11.582 ( 0.759 -15.696 2.820) 15.965 15.100 ( -12.286 1.436 -2.884) 12.701 ======================= Grid point 424 (166/489) ======================= q-point: ( 0.59 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( 2.961 -0.033 3.749) 4.777 2.889 ( 13.447 3.305 0.562) 13.858 3.149 ( -1.673 -0.249 -5.057) 5.333 4.057 ( 15.141 8.148 -1.956) 17.305 4.250 ( 1.332 -0.763 2.872) 3.257 5.812 ( -6.630 5.391 0.274) 8.550 9.025 ( 3.354 7.853 -1.707) 8.708 9.670 ( 8.268 3.263 -2.495) 9.232 10.195 ( -9.011 -0.868 0.509) 9.067 10.965 ( 19.758 -3.647 -0.826) 20.109 11.510 ( 1.758 -5.633 3.240) 6.732 14.854 ( -15.558 0.012 -2.483) 15.755 ======================= Grid point 425 (167/489) ======================= q-point: ( 0.65 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( 3.811 -0.727 1.639) 4.211 3.104 ( -2.607 0.737 -1.842) 3.276 3.160 ( 13.823 2.942 0.470) 14.141 4.067 ( -8.261 -0.037 -0.434) 8.272 4.571 ( 22.864 4.157 0.571) 23.246 5.683 ( -11.478 0.274 -0.064) 11.482 9.177 ( 5.440 5.244 0.572) 7.578 9.765 ( 3.157 0.640 -2.246) 3.927 10.009 ( -9.959 -2.305 0.507) 10.235 11.324 ( 20.978 1.078 -2.954) 21.212 11.522 ( 1.902 -1.515 4.261) 4.906 14.578 ( -14.166 -0.682 -1.332) 14.244 ======================= Grid point 426 (168/489) ======================= q-point: (-0.29 -0.59 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( 3.399 -0.429 0.050) 3.426 3.065 ( -2.203 0.722 0.124) 2.322 3.416 ( 12.677 1.531 1.014) 12.809 3.890 ( -10.528 -1.448 -0.998) 10.674 4.986 ( 21.100 0.113 0.241) 21.102 5.435 ( -16.108 -0.323 -0.267) 16.113 9.260 ( 1.069 -1.737 -0.747) 2.172 9.833 ( -0.221 -4.996 -1.075) 5.115 9.861 ( -0.727 7.791 2.025) 8.083 11.476 ( -1.936 -1.100 -0.731) 2.344 11.668 ( 11.740 -0.079 0.582) 11.755 14.389 ( -6.346 0.833 0.071) 6.400 ======================= Grid point 427 (169/489) ======================= q-point: (-0.24 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( -1.139 1.632 0.849) 2.163 3.054 ( 1.628 -1.762 -0.723) 2.506 3.591 ( 5.375 -9.404 4.560) 11.753 3.721 ( -5.889 8.557 -4.346) 11.260 5.015 ( -10.100 -18.133 0.354) 20.759 5.400 ( 7.216 13.636 -0.435) 15.434 9.202 ( -4.118 -1.454 -0.242) 4.374 9.743 ( -0.329 -5.856 -1.670) 6.098 10.049 ( 7.091 9.344 2.657) 12.027 11.346 ( -6.009 -10.626 -2.016) 12.373 11.766 ( -1.035 1.356 1.368) 2.186 14.397 ( 3.884 4.281 0.090) 5.781 ======================= Grid point 428 (170/489) ======================= q-point: (-0.18 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( -5.822 3.279 3.204) 7.410 3.046 ( 0.542 -5.906 -2.371) 6.387 3.478 ( -2.014 -5.623 0.300) 5.980 3.831 ( 3.617 6.593 -0.716) 7.554 4.602 ( -16.168 -16.465 0.456) 23.081 5.633 ( 5.193 9.150 -0.259) 10.524 9.122 ( -6.999 4.794 1.023) 8.545 9.688 ( 1.349 -6.216 -2.914) 6.997 10.271 ( 8.196 6.529 2.236) 10.715 11.057 ( -7.950 -19.318 -3.427) 21.169 11.715 ( -5.743 0.879 3.504) 6.785 14.569 ( 8.456 6.720 -1.419) 10.894 ======================= Grid point 429 (171/489) ======================= q-point: (-0.12 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( -7.539 2.073 3.982) 8.774 2.916 ( -7.018 -5.757 -0.253) 9.081 3.478 ( 6.124 -2.293 -4.962) 8.209 3.903 ( -2.343 1.131 0.275) 2.616 4.181 ( -13.663 -11.511 1.764) 17.953 5.746 ( -1.713 7.407 0.053) 7.602 9.052 ( -10.225 10.008 -0.719) 14.326 9.616 ( -4.449 -3.614 -2.866) 6.408 10.470 ( 10.685 -0.457 2.225) 10.924 10.743 ( -2.467 -19.229 -3.289) 19.664 11.638 ( -2.807 -2.610 4.176) 5.668 14.775 ( 7.510 7.043 -2.961) 10.713 ======================= Grid point 430 (172/489) ======================= q-point: (-0.06 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( -7.761 -2.822 1.837) 8.460 2.749 ( -9.767 1.968 3.409) 10.530 3.560 ( 6.888 -1.780 -10.006) 12.277 3.652 ( -14.446 -10.584 -0.291) 17.910 4.058 ( -2.330 2.691 4.996) 6.135 5.725 ( -8.889 7.090 0.599) 11.386 8.953 ( -12.621 11.227 -4.710) 17.536 9.410 ( -14.740 -1.955 -3.012) 15.171 10.589 ( 5.871 -12.720 2.710) 14.269 10.687 ( 14.379 -4.607 -2.659) 15.332 11.616 ( 4.934 -6.984 4.760) 9.787 14.933 ( 4.353 5.725 -3.811) 8.139 ======================= Grid point 439 (173/489) ======================= q-point: ( 0.47 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -0.000 2.658 -0.110) 2.660 2.597 ( 0.000 1.024 6.444) 6.525 3.218 ( -0.000 -2.142 -9.708) 9.941 3.292 ( -0.000 6.686 -0.334) 6.694 4.338 ( 0.000 4.535 2.198) 5.040 5.842 ( -0.000 13.314 0.813) 13.339 8.989 ( -0.000 3.129 -11.895) 12.300 9.072 ( -0.000 7.240 -2.233) 7.576 10.390 ( 0.000 -1.240 4.939) 5.092 10.641 ( 0.000 2.711 1.748) 3.226 11.553 ( 0.000 -21.454 1.241) 21.490 15.330 ( -0.000 2.711 -2.290) 3.549 ======================= Grid point 440 (174/489) ======================= q-point: ( 0.53 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 6.646 1.963 -0.097) 6.931 2.627 ( 0.947 -0.175 5.245) 5.333 3.176 ( -0.251 -0.484 -6.054) 6.079 3.451 ( 11.536 4.571 -0.323) 12.413 4.361 ( -2.216 2.491 1.158) 3.530 5.942 ( -1.412 8.540 0.308) 8.661 8.981 ( -0.292 4.123 -6.838) 7.990 9.235 ( 11.527 4.607 -2.087) 12.588 10.400 ( -1.315 2.623 4.834) 5.654 10.653 ( -0.910 -2.049 0.198) 2.251 11.395 ( 3.468 -14.310 0.430) 14.730 15.284 ( -7.273 1.969 -2.122) 7.828 ======================= Grid point 441 (175/489) ======================= q-point: ( 0.59 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( 3.060 -0.464 1.539) 3.456 2.693 ( 10.495 0.592 1.956) 10.692 3.161 ( -0.606 1.207 -2.163) 2.550 3.763 ( 19.810 2.938 -0.336) 20.030 4.317 ( -4.651 0.256 0.176) 4.662 5.956 ( -4.294 3.668 -0.129) 5.649 9.030 ( 2.160 4.595 -1.413) 5.271 9.499 ( 13.577 2.305 -1.408) 13.843 10.391 ( -9.364 5.065 2.720) 10.988 10.625 ( 10.357 -8.276 -1.752) 13.373 11.398 ( 6.011 -4.269 1.283) 7.483 15.112 ( -13.410 1.115 -1.830) 13.580 ======================= Grid point 442 (176/489) ======================= q-point: (-0.35 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( 2.888 -1.555 0.971) 3.421 2.923 ( 14.096 -0.156 0.307) 14.101 3.160 ( -1.611 2.487 1.411) 3.282 4.157 ( 18.053 2.904 -2.122) 18.408 4.216 ( -1.142 -3.543 0.960) 3.845 5.863 ( -8.344 -0.194 -0.480) 8.360 9.118 ( 4.009 0.860 0.897) 4.197 9.689 ( 6.858 1.599 -0.902) 7.099 10.204 ( -12.130 -0.880 0.823) 12.189 10.901 ( 23.706 0.462 -1.286) 23.746 11.471 ( 3.935 -1.286 1.422) 4.377 14.854 ( -16.439 1.032 -0.847) 16.493 ======================= Grid point 443 (177/489) ======================= q-point: (-0.29 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 4.167 -1.788 -0.627) 4.577 3.107 ( 2.924 -0.581 -0.575) 3.036 3.209 ( 8.132 1.205 4.785) 9.512 4.048 ( -8.959 -0.755 -2.462) 9.322 4.567 ( 23.314 -4.911 0.154) 23.826 5.677 ( -11.437 -0.568 -0.626) 11.468 9.157 ( 3.557 -6.437 -1.489) 7.504 9.794 ( 3.139 1.291 0.788) 3.485 10.029 ( -8.529 4.363 2.639) 9.937 11.338 ( 23.104 2.367 -2.151) 23.325 11.483 ( -0.460 -4.388 0.894) 4.502 14.598 ( -14.064 2.808 0.783) 14.363 ======================= Grid point 444 (178/489) ======================= q-point: (-0.24 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 5.268 -1.630 -1.796) 5.799 3.085 ( -3.561 0.039 2.008) 4.088 3.388 ( 9.829 -4.732 4.658) 11.861 3.893 ( -7.759 2.802 -3.917) 9.133 4.787 ( 11.108 -16.671 0.060) 20.033 5.532 ( -5.474 6.902 -0.622) 8.831 9.130 ( 4.012 -8.557 -2.936) 9.896 9.760 ( -4.344 -3.323 1.295) 5.620 10.086 ( 1.822 11.998 4.234) 12.853 11.351 ( -6.795 -10.197 -0.886) 12.285 11.661 ( 12.494 -0.139 -1.655) 12.604 14.473 ( -5.513 6.499 1.806) 8.712 ======================= Grid point 445 (179/489) ======================= q-point: (-0.18 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( 4.903 -0.790 -1.968) 5.342 3.003 ( -4.861 -3.343 1.845) 6.181 3.431 ( 0.999 -7.213 4.686) 8.659 3.864 ( -0.043 6.877 -3.618) 7.770 4.606 ( -6.350 -21.754 -0.012) 22.662 5.635 ( 4.999 9.226 -0.507) 10.506 9.144 ( 6.168 -3.905 -1.259) 7.408 9.651 ( -4.602 -2.959 0.931) 5.550 10.264 ( 3.851 9.894 3.031) 11.041 11.042 ( -12.224 -16.874 -1.832) 20.917 11.752 ( 0.892 -2.937 -0.395) 3.095 14.546 ( 3.278 9.423 0.989) 10.026 ======================= Grid point 446 (180/489) ======================= q-point: (-0.12 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( -6.303 -6.591 1.400) 9.227 2.919 ( 1.733 0.458 -0.726) 1.934 3.383 ( 0.181 -3.296 1.128) 3.488 3.932 ( 0.526 1.850 -1.068) 2.200 4.249 ( -9.754 -16.170 0.053) 18.885 5.797 ( 3.681 6.594 -0.264) 7.557 9.250 ( 3.390 6.231 0.645) 7.122 9.555 ( -1.429 -5.042 -0.691) 5.286 10.417 ( 2.944 6.303 2.298) 7.327 10.627 ( -11.260 -20.527 -2.504) 23.546 11.669 ( -4.223 -5.960 0.815) 7.349 14.734 ( 6.220 9.650 -0.507) 11.492 ======================= Grid point 447 (181/489) ======================= q-point: (-0.06 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( -6.180 -7.162 0.459) 9.471 2.921 ( -4.316 3.726 2.829) 6.365 3.395 ( 4.838 -2.468 -4.590) 7.111 3.753 ( -10.840 -13.472 -0.213) 17.293 4.120 ( -0.404 2.242 1.541) 2.750 5.876 ( -1.397 5.147 0.187) 5.336 9.290 ( -11.411 13.484 -1.291) 17.711 9.516 ( 0.078 -3.859 -3.406) 5.148 10.296 ( 2.100 -18.744 4.124) 19.307 10.537 ( 4.334 0.617 -1.768) 4.721 11.532 ( -2.563 -8.403 1.147) 8.860 14.917 ( 4.621 7.813 -1.290) 9.169 ======================= Grid point 457 (182/489) ======================= q-point: ( 0.53 0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( -0.000 0.938 0.113) 0.945 2.626 ( 0.000 -1.153 3.899) 4.066 3.167 ( -0.000 1.121 -2.437) 2.683 3.381 ( -0.000 2.318 -0.068) 2.319 4.400 ( -0.000 1.005 -0.063) 1.007 6.019 ( -0.000 4.322 -0.166) 4.325 9.005 ( -0.000 3.871 -2.492) 4.604 9.161 ( -0.000 2.727 -0.226) 2.736 10.424 ( 0.000 -0.279 1.662) 1.686 10.690 ( -0.000 0.990 0.062) 0.992 11.229 ( 0.000 -9.115 0.005) 9.115 15.360 ( -0.000 1.413 -1.920) 2.384 ======================= Grid point 458 (183/489) ======================= q-point: (-0.41 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 6.711 0.057 0.045) 6.711 2.628 ( 0.977 -2.010 2.581) 3.414 3.186 ( -0.125 3.009 1.384) 3.314 3.497 ( 11.746 0.138 0.046) 11.747 4.377 ( -2.557 -0.758 -1.242) 2.941 6.024 ( -1.760 -0.220 -0.582) 1.867 9.052 ( 0.306 3.988 3.406) 5.253 9.285 ( 11.311 1.173 0.833) 11.402 10.430 ( 3.564 -4.857 -3.717) 7.078 10.604 ( -8.566 1.342 0.133) 8.672 11.259 ( 6.644 0.323 1.151) 6.750 15.299 ( -7.408 0.662 -1.752) 7.641 ======================= Grid point 459 (184/489) ======================= q-point: (-0.35 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 2.404 -2.305 -0.508) 3.369 2.693 ( 11.071 -1.635 1.299) 11.267 3.224 ( -0.952 4.188 4.519) 6.234 3.769 ( 20.075 -2.348 0.273) 20.214 4.292 ( -4.918 -2.020 -2.508) 5.878 5.948 ( -4.258 -4.118 -0.956) 6.000 9.091 ( -0.005 -0.550 4.944) 4.974 9.526 ( 13.267 0.378 1.549) 13.362 10.333 ( -5.165 -6.638 -3.491) 9.107 10.636 ( 8.519 7.177 -0.415) 11.147 11.393 ( 5.251 2.975 0.745) 6.081 15.120 ( -13.018 0.578 -0.973) 13.067 ======================= Grid point 460 (185/489) ======================= q-point: (-0.29 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 3.167 -3.088 -1.610) 4.706 2.888 ( 13.103 -3.640 0.351) 13.604 3.260 ( -1.960 4.807 6.938) 8.666 4.092 ( 16.875 -8.235 1.846) 18.868 4.176 ( -0.554 -0.310 -5.193) 5.231 5.799 ( -6.438 -5.726 -1.079) 8.684 9.055 ( -0.490 -7.402 1.284) 7.528 9.705 ( 7.693 -3.212 1.123) 8.412 10.212 ( -5.858 4.636 2.466) 7.867 10.962 ( 20.695 3.870 -1.225) 21.090 11.472 ( 0.266 2.470 -0.769) 2.601 14.884 ( -14.834 1.983 0.677) 14.981 ======================= Grid point 461 (186/489) ======================= q-point: (-0.24 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( 4.845 -3.489 -2.949) 6.659 3.032 ( 8.158 -6.837 0.089) 10.645 3.307 ( -0.063 4.477 8.743) 9.823 4.007 ( -5.666 -1.789 -3.483) 6.887 4.387 ( 17.130 -12.251 -1.071) 21.087 5.643 ( -4.672 -2.813 -0.891) 5.525 8.965 ( 1.714 -10.433 -1.714) 10.711 9.728 ( 2.453 -8.288 -0.042) 8.644 10.253 ( -3.037 14.015 7.157) 16.027 11.271 ( 10.084 -10.245 1.611) 14.465 11.491 ( 2.807 8.466 -5.571) 10.516 14.691 ( -11.106 5.137 2.554) 12.500 ======================= Grid point 462 (187/489) ======================= q-point: (-0.18 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 6.424 -3.812 -3.992) 8.469 3.019 ( -0.060 -8.603 1.085) 8.671 3.388 ( 1.244 2.011 8.902) 9.211 3.920 ( -2.297 1.445 -4.091) 4.909 4.407 ( 4.165 -19.915 -1.144) 20.378 5.625 ( 3.285 2.081 -0.700) 3.951 8.934 ( 7.257 -8.965 -1.236) 11.600 9.666 ( 0.218 -7.844 0.824) 7.890 10.377 ( -2.163 13.878 6.365) 15.421 11.102 ( -10.355 -13.214 -0.108) 16.788 11.661 ( 5.958 2.530 -4.839) 8.082 14.644 ( -3.129 8.477 3.172) 9.577 ======================= Grid point 463 (188/489) ======================= q-point: (-0.12 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( 4.861 -5.927 -3.996) 8.645 2.911 ( -1.138 -7.276 0.719) 7.399 3.419 ( -2.855 2.186 7.666) 8.467 3.914 ( 0.785 -2.658 -1.811) 3.311 4.198 ( -3.429 -15.751 -2.013) 16.246 5.748 ( 7.095 2.370 -0.559) 7.501 9.045 ( 13.915 -5.452 0.864) 14.970 9.593 ( -1.458 -5.717 2.329) 6.343 10.472 ( -2.266 9.520 1.926) 9.974 10.730 ( -16.662 -11.818 -0.558) 20.435 11.671 ( -2.416 -3.318 -2.933) 5.045 14.751 ( 3.157 9.518 2.249) 10.277 ======================= Grid point 475 (189/489) ======================= q-point: (-0.41 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 0.000 -0.858 0.380) 0.938 2.602 ( 0.000 -2.830 1.230) 3.086 3.237 ( 0.000 4.916 5.063) 7.057 3.383 ( 0.000 -2.133 0.152) 2.139 4.378 ( -0.000 -2.459 -2.463) 3.480 6.011 ( -0.000 -4.775 -0.998) 4.878 9.119 ( 0.000 4.409 9.731) 10.683 9.182 ( 0.000 -1.243 2.096) 2.437 10.340 ( -0.000 -4.378 -7.295) 8.508 10.671 ( -0.000 -2.155 -1.890) 2.866 11.249 ( 0.000 9.243 1.993) 9.456 15.361 ( -0.000 -0.157 -1.863) 1.870 ======================= Grid point 476 (190/489) ======================= q-point: (-0.35 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 6.265 -1.931 -0.002) 6.556 2.579 ( 1.094 -3.776 0.090) 3.932 3.305 ( -0.642 5.568 7.832) 9.631 3.458 ( 11.669 -4.020 0.480) 12.352 4.316 ( -2.317 -3.913 -3.707) 5.867 5.926 ( -1.406 -9.054 -1.413) 9.271 9.128 ( -2.527 -1.990 7.879) 8.510 9.300 ( 10.927 -2.060 5.546) 12.426 10.298 ( 0.431 -0.053 -5.920) 5.936 10.634 ( 0.203 0.176 -1.727) 1.748 11.398 ( 2.513 12.041 0.537) 12.312 15.291 ( -6.830 -0.439 -1.484) 7.004 ======================= Grid point 477 (191/489) ======================= q-point: (-0.29 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 2.115 -4.228 -2.554) 5.374 2.641 ( 10.560 -4.204 0.715) 11.388 3.370 ( -1.493 5.516 9.659) 11.222 3.674 ( 18.428 -7.348 0.920) 19.861 4.207 ( -3.647 -4.048 -5.122) 7.478 5.781 ( -2.385 -11.793 -1.621) 12.141 9.037 ( -4.521 -7.449 3.797) 9.505 9.467 ( 11.823 -9.366 2.424) 15.277 10.338 ( -0.384 9.527 2.988) 9.992 10.727 ( 10.136 1.983 -1.407) 10.424 11.538 ( -0.330 11.832 -1.881) 11.985 15.126 ( -11.262 0.482 -0.144) 11.273 ======================= Grid point 478 (192/489) ======================= q-point: (-0.24 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( 3.581 -5.017 -3.632) 7.154 2.781 ( 11.085 -7.160 -0.013) 13.196 3.420 ( -2.318 5.228 10.834) 12.250 3.891 ( 15.224 -13.069 1.766) 20.142 4.108 ( -0.279 -2.331 -7.010) 7.393 5.621 ( -1.345 -11.368 -1.421) 11.535 8.877 ( -3.497 -9.894 0.147) 10.495 9.516 ( 8.053 -14.585 -0.783) 16.679 10.477 ( -1.811 16.334 10.159) 19.320 10.959 ( 14.788 -3.632 -0.019) 15.228 11.610 ( -3.669 12.895 -5.477) 14.482 14.940 ( -11.651 2.823 2.005) 12.154 ======================= Grid point 479 (193/489) ======================= q-point: (-0.18 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 5.549 -5.313 -4.444) 8.875 2.849 ( 6.773 -11.032 -0.286) 12.948 3.470 ( -1.414 4.814 11.453) 12.504 3.904 ( 2.188 -9.465 -0.521) 9.729 4.118 ( 6.850 -9.830 -5.469) 13.170 5.537 ( 3.810 -7.676 -1.085) 8.638 8.760 ( 1.759 -8.989 0.015) 9.160 9.482 ( 6.510 -15.528 -1.024) 16.868 10.628 ( -4.669 17.186 11.575) 21.240 11.049 ( 2.659 -11.451 0.755) 11.780 11.672 ( -1.544 13.251 -8.847) 16.008 14.822 ( -7.442 5.745 3.918) 10.185 ======================= Grid point 480 (194/489) ======================= q-point: (-0.12 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 6.750 -5.416 -4.705) 9.850 2.800 ( 2.193 -12.467 -0.296) 12.662 3.532 ( -1.495 4.657 11.619) 12.606 3.824 ( 0.971 -13.229 -0.262) 13.267 4.071 ( 1.660 -7.514 -5.968) 9.738 5.593 ( 9.425 -4.858 -0.919) 10.643 8.779 ( 9.269 -6.730 2.302) 11.684 9.441 ( 6.421 -14.857 0.754) 16.202 10.708 ( -7.902 13.727 9.182) 18.308 10.867 ( -9.841 -8.400 -1.754) 13.057 11.712 ( -3.784 6.512 -7.976) 10.970 14.828 ( -1.133 7.414 4.402) 8.697 ======================= Grid point 493 (195/489) ======================= q-point: (-0.35 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 0.000 -2.812 0.371) 2.837 2.527 ( -0.000 -4.800 -1.291) 4.971 3.298 ( 0.000 -6.465 0.330) 6.473 3.408 ( 0.000 6.720 10.789) 12.711 4.274 ( -0.000 -5.660 -4.859) 7.459 5.816 ( 0.000 -13.932 -1.861) 14.056 9.121 ( 0.000 -7.034 2.882) 7.602 9.210 ( 0.000 -4.123 10.763) 11.526 10.322 ( -0.000 8.788 -1.519) 8.918 10.601 ( -0.000 -2.778 -2.516) 3.748 11.531 ( -0.000 17.169 -1.266) 17.215 15.336 ( -0.000 -1.013 -1.700) 1.979 ======================= Grid point 494 (196/489) ======================= q-point: (-0.29 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 5.138 -4.055 -0.761) 6.589 2.476 ( 1.560 -6.167 -1.791) 6.609 3.318 ( 10.107 -8.455 0.844) 13.205 3.503 ( -0.300 5.220 11.970) 13.062 4.183 ( -1.468 -6.007 -5.850) 8.512 5.648 ( -0.196 -17.741 -2.167) 17.874 9.040 ( -2.194 -9.462 2.474) 10.023 9.201 ( 5.640 -11.269 3.872) 13.183 10.466 ( 0.963 15.465 6.619) 16.849 10.612 ( 4.497 0.202 -0.419) 4.521 11.694 ( -1.025 17.772 -4.197) 18.290 15.271 ( -5.699 -0.566 -0.995) 5.813 ======================= Grid point 495 (197/489) ======================= q-point: (-0.24 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 2.251 -6.843 -4.123) 8.300 2.533 ( 9.148 -6.809 -0.266) 11.407 3.449 ( 13.472 -9.319 2.434) 16.561 3.564 ( 0.654 -0.651 10.559) 10.600 4.087 ( -1.534 -3.515 -6.127) 7.229 5.461 ( 1.313 -19.187 -2.095) 19.345 8.871 ( -5.709 -9.458 -0.049) 11.047 9.196 ( 8.877 -17.168 -0.198) 19.328 10.662 ( 4.816 9.964 4.974) 12.133 10.767 ( 4.946 8.746 9.651) 13.932 11.810 ( -3.821 17.511 -7.879) 19.579 15.143 ( -8.768 1.078 0.846) 8.875 ======================= Grid point 496 (198/489) ======================= q-point: (-0.18 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 4.496 -7.498 -4.722) 9.936 2.605 ( 8.452 -10.079 -0.913) 13.185 3.555 ( 0.276 -0.058 10.220) 10.224 3.595 ( 12.375 -17.284 1.658) 21.322 4.033 ( -0.777 0.051 -5.425) 5.481 5.326 ( 5.631 -17.387 -1.759) 18.360 8.697 ( -3.522 -7.559 -0.016) 8.339 9.162 ( 8.937 -19.396 -1.500) 21.409 10.845 ( 8.013 -0.773 0.843) 8.094 10.939 ( -3.615 14.270 16.874) 22.393 11.872 ( -5.645 17.854 -11.967) 22.223 15.018 ( -8.331 3.348 3.328) 9.575 ======================= Grid point 497 (199/489) ======================= q-point: (-0.12 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 6.956 -7.268 -4.813) 11.153 2.605 ( 5.130 -12.712 -0.887) 13.736 3.552 ( 4.058 -13.363 5.521) 15.018 3.626 ( 4.890 -7.220 5.778) 10.461 4.013 ( -0.958 1.583 -5.256) 5.572 5.315 ( 11.653 -13.826 -1.505) 18.145 8.624 ( 2.475 -5.259 2.488) 6.322 9.125 ( 9.663 -19.072 -0.375) 21.383 10.850 ( -1.638 -8.224 0.697) 8.415 11.057 ( -7.100 17.107 14.463) 23.500 11.892 ( -7.426 15.410 -14.160) 22.206 14.958 ( -4.746 5.003 5.285) 8.689 ======================= Grid point 511 (200/489) ======================= q-point: (-0.29 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 0.000 -5.088 -0.146) 5.090 2.390 ( -0.000 -7.652 -3.606) 8.459 3.132 ( 0.000 -10.354 0.491) 10.366 3.589 ( 0.000 2.203 12.864) 13.052 4.116 ( -0.000 -5.452 -5.684) 7.876 5.436 ( 0.000 -22.734 -2.616) 22.884 8.919 ( 0.000 -14.608 1.419) 14.677 9.083 ( 0.000 -9.849 0.457) 9.860 10.562 ( -0.000 0.519 -1.182) 1.291 10.683 ( 0.000 20.825 15.778) 26.127 11.877 ( -0.000 19.610 -7.415) 20.965 15.308 ( -0.000 -0.719 -1.151) 1.357 ======================= Grid point 512 (201/489) ======================= q-point: (-0.24 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 1.037 -9.309 -4.698) 10.479 2.340 ( 5.049 -6.827 -0.762) 8.525 3.111 ( 9.744 -12.410 0.584) 15.789 3.603 ( -0.896 -5.066 9.693) 10.973 4.064 ( -0.521 -0.755 -2.594) 2.751 5.198 ( 1.870 -25.744 -2.794) 25.962 8.791 ( 2.422 -16.318 -0.747) 16.514 8.968 ( -1.051 -10.189 -1.708) 10.385 10.602 ( 3.336 2.358 -0.202) 4.090 10.969 ( 1.079 20.959 21.759) 30.231 12.025 ( -2.494 19.861 -11.255) 22.965 15.263 ( -4.278 0.172 -0.116) 4.283 ======================= Grid point 513 (202/489) ======================= q-point: (-0.18 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 3.310 -10.683 -5.199) 12.334 2.368 ( 7.264 -9.264 -1.598) 11.880 3.187 ( 13.697 -15.524 0.561) 20.711 3.538 ( 0.507 -9.756 5.550) 11.236 4.064 ( -1.196 3.280 1.238) 3.705 4.996 ( 6.304 -25.786 -2.731) 26.685 8.665 ( 0.589 -12.646 -2.236) 12.856 8.855 ( 2.083 -12.818 -1.076) 13.031 10.707 ( 5.812 1.023 0.506) 5.923 11.228 ( -2.201 17.711 23.760) 29.717 12.119 ( -5.178 20.617 -15.367) 26.230 15.181 ( -6.245 1.772 2.101) 6.823 ======================= Grid point 514 (203/489) ======================= q-point: (-0.12 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 6.646 -11.006 -4.898) 13.758 2.378 ( 6.415 -11.674 -1.677) 13.426 3.231 ( 10.305 -19.254 0.903) 21.857 3.502 ( 5.378 -9.024 3.480) 11.066 4.081 ( -2.376 4.846 2.422) 5.916 4.909 ( 13.092 -22.898 -2.581) 26.503 8.569 ( 1.086 -7.625 -0.314) 7.708 8.783 ( 5.826 -14.745 0.248) 15.856 10.781 ( 2.321 -2.434 0.252) 3.373 11.387 ( -5.550 14.446 22.274) 27.123 12.160 ( -8.306 20.528 -18.857) 29.086 15.109 ( -5.781 3.163 4.769) 8.134 ======================= Grid point 529 (204/489) ======================= q-point: (-0.24 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -0.000 -11.666 -5.853) 13.052 2.218 ( 0.000 -8.254 -1.319) 8.359 2.900 ( 0.000 -13.011 0.723) 13.031 3.534 ( 0.000 -13.516 3.896) 14.066 4.083 ( 0.000 2.753 3.553) 4.494 4.889 ( 0.000 -29.850 -3.467) 30.050 8.571 ( 0.000 -19.891 -0.583) 19.900 8.907 ( -0.000 -5.015 -4.704) 6.876 10.612 ( -0.000 4.530 0.555) 4.564 11.242 ( 0.000 19.831 27.308) 33.749 12.213 ( -0.000 21.294 -14.878) 25.977 15.298 ( -0.000 0.075 -0.172) 0.188 ======================= Grid point 530 (205/489) ======================= q-point: (-0.18 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 1.675 -13.864 -6.505) 15.406 2.162 ( 4.566 -10.401 -2.274) 11.584 2.846 ( 8.266 -14.125 0.750) 16.383 3.392 ( 1.442 -17.044 0.812) 17.124 4.121 ( -0.138 1.229 7.195) 7.300 4.609 ( 3.998 -29.427 -4.375) 30.018 8.404 ( 4.325 -20.623 -1.619) 21.133 8.835 ( -3.084 -0.833 -4.171) 5.254 10.678 ( 1.495 4.866 1.135) 5.215 11.497 ( -0.990 14.240 28.532) 31.904 12.361 ( -3.023 23.659 -17.581) 29.631 15.276 ( -2.798 0.705 1.080) 3.081 ======================= Grid point 531 (206/489) ======================= q-point: (-0.12 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 5.330 -15.129 -5.954) 17.110 2.141 ( 6.623 -12.394 -2.516) 14.276 2.870 ( 10.504 -16.076 0.748) 19.218 3.283 ( 5.791 -16.199 -0.049) 17.203 4.147 ( 1.989 -3.297 8.702) 9.516 4.438 ( 8.733 -23.438 -5.627) 25.637 8.302 ( 7.904 -19.637 -1.873) 21.251 8.766 ( -4.930 2.540 -1.219) 5.679 10.750 ( 1.326 2.867 1.016) 3.318 11.650 ( -3.153 8.010 25.053) 26.490 12.467 ( -7.290 25.457 -18.663) 32.396 15.233 ( -4.025 1.614 3.408) 5.516 ======================= Grid point 547 (207/489) ======================= q-point: (-0.18 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -0.000 -16.359 -8.112) 18.260 1.993 ( -0.000 -13.572 -3.039) 13.908 2.642 ( 0.000 -12.825 1.046) 12.867 3.180 ( 0.000 -21.361 -1.086) 21.389 4.047 ( 0.000 -24.961 7.669) 26.112 4.351 ( -0.000 -7.944 -3.486) 8.676 8.155 ( 0.000 -20.445 -1.474) 20.498 8.867 ( -0.000 4.518 -5.115) 6.824 10.734 ( 0.000 6.767 1.294) 6.889 11.702 ( 0.000 7.010 27.931) 28.797 12.590 ( -0.000 27.601 -16.357) 32.084 15.304 ( 0.000 -0.002 1.024) 1.024 ======================= Grid point 548 (208/489) ======================= q-point: (-0.12 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 2.667 -18.415 -8.104) 20.295 1.884 ( 5.620 -16.054 -3.465) 17.359 2.581 ( 6.239 -12.415 0.982) 13.929 2.992 ( 4.876 -22.556 -1.374) 23.118 3.796 ( 8.160 -36.310 3.289) 37.360 4.335 ( -0.964 2.569 0.581) 2.804 7.991 ( 4.485 -19.092 -1.534) 19.671 8.895 ( -3.344 9.099 -3.278) 10.233 10.798 ( -0.865 6.102 1.359) 6.311 11.799 ( -1.197 0.001 21.717) 21.750 12.799 ( -4.580 29.747 -12.914) 32.751 15.294 ( -1.272 -0.169 2.200) 2.547 ======================= Grid point 565 (209/489) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -0.000 -20.380 -9.661) 22.554 1.630 ( -0.000 -20.499 -4.382) 20.962 2.421 ( 0.000 -9.769 0.942) 9.815 2.681 ( 0.000 -28.852 -1.159) 28.875 3.349 ( 0.000 -38.261 1.978) 38.312 4.379 ( 0.000 3.126 1.490) 3.463 7.767 ( 0.000 -17.141 -1.242) 17.186 9.033 ( -0.000 14.302 -2.321) 14.489 10.883 ( -0.000 7.064 1.141) 7.155 11.828 ( 0.000 -6.602 15.044) 16.429 13.120 ( -0.000 31.357 -6.549) 32.034 15.297 ( 0.000 -2.022 1.957) 2.814 ======================= Grid point 620 (210/489) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( 0.000 -0.000 21.965) 21.965 0.410 ( 0.000 -0.000 21.965) 21.965 0.876 ( 0.000 -0.000 47.413) 47.413 2.112 ( -0.000 0.000 -2.694) 2.694 2.112 ( -0.000 0.000 -2.694) 2.694 5.206 ( -0.000 0.000 -9.087) 9.087 7.253 ( 0.000 -0.000 1.896) 1.896 7.253 ( 0.000 -0.000 1.896) 1.896 11.133 ( -0.000 0.000 -1.044) 1.044 11.133 ( -0.000 0.000 -1.044) 1.044 14.536 ( 0.000 -0.000 0.811) 0.811 14.693 ( -0.000 0.000 -0.387) 0.387 ======================= Grid point 621 (211/489) ======================= q-point: ( 0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 18.129 10.467 12.397) 24.329 0.862 ( 13.564 7.831 24.519) 29.095 1.353 ( 31.196 18.011 26.930) 44.976 2.135 ( 2.762 1.595 -3.095) 4.445 2.262 ( 12.633 7.294 -3.284) 14.953 4.600 ( -14.661 -8.465 5.562) 17.819 7.317 ( 5.002 2.888 2.065) 6.134 9.026 ( 59.180 34.167 -51.145) 85.355 10.929 ( -7.732 -4.464 -11.004) 14.170 11.100 ( -2.606 -1.504 -1.054) 3.188 14.359 ( -15.098 -8.717 6.423) 18.579 14.883 ( 12.208 7.048 -9.084) 16.770 ======================= Grid point 622 (212/489) ======================= q-point: ( 0.24 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 20.221 11.675 6.927) 24.355 1.203 ( 11.414 6.590 22.339) 25.937 2.201 ( 32.589 18.815 14.385) 40.286 2.221 ( 5.612 3.240 -3.342) 7.291 2.663 ( 23.839 13.764 -3.316) 27.726 4.410 ( -4.970 -2.870 -3.299) 6.620 7.493 ( 9.672 5.584 1.880) 11.325 9.390 ( -9.157 -5.287 -2.485) 10.861 10.989 ( 17.010 9.820 -36.168) 41.157 11.012 ( -4.609 -2.661 -0.987) 5.413 13.982 ( -19.444 -11.226 13.175) 26.032 15.055 ( 5.139 2.967 -11.134) 12.616 ======================= Grid point 623 (213/489) ======================= q-point: ( 0.29 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 13.079 7.551 15.216) 21.438 1.628 ( 17.167 9.911 4.532) 20.334 2.375 ( 8.743 5.048 -3.214) 10.595 2.827 ( 20.062 11.583 7.355) 24.305 3.349 ( 33.552 19.371 -2.027) 38.795 4.313 ( -2.147 -1.239 -5.078) 5.651 7.768 ( 13.666 7.890 1.282) 15.833 9.021 ( -18.275 -10.551 2.102) 21.207 10.892 ( -5.429 -3.134 -0.749) 6.313 11.263 ( 13.047 7.533 -31.217) 34.662 13.562 ( -21.150 -12.211 18.323) 30.531 15.068 ( -0.332 -0.191 -11.835) 11.841 ======================= Grid point 624 (214/489) ======================= q-point: ( 0.35 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 14.113 8.148 10.042) 19.142 1.974 ( 11.925 6.885 2.613) 14.015 2.603 ( 11.612 6.704 -2.359) 13.614 3.229 ( 13.816 7.977 2.434) 16.138 3.973 ( 14.955 8.634 -9.681) 19.797 4.385 ( 14.966 8.641 3.870) 17.709 8.117 ( 16.210 9.359 0.317) 18.720 8.666 ( -11.478 -6.627 -1.934) 13.394 10.768 ( -4.959 -2.863 -0.240) 5.732 11.358 ( 2.503 1.445 -24.533) 24.703 13.117 ( -22.878 -13.209 20.030) 33.153 15.003 ( -1.610 -0.930 -10.692) 10.853 ======================= Grid point 625 (215/489) ======================= q-point: ( 0.41 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 7.741 4.469 1.005) 8.995 2.242 ( 13.673 7.894 7.283) 17.387 2.873 ( 11.809 6.818 -1.297) 13.697 3.462 ( 6.458 3.728 -5.554) 9.298 4.066 ( 1.646 0.950 -3.752) 4.206 4.923 ( 24.091 13.909 3.978) 28.101 8.497 ( 16.456 9.501 -0.897) 19.023 8.511 ( -0.819 -0.473 -5.132) 5.218 10.670 ( -3.521 -2.033 0.599) 4.110 11.247 ( -5.707 -3.295 -18.936) 20.050 12.619 ( -25.357 -14.640 16.542) 33.630 14.958 ( 0.427 0.246 -6.825) 6.843 ======================= Grid point 626 (216/489) ======================= q-point: ( 0.47 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 5.142 2.969 0.101) 5.938 2.559 ( 12.041 6.952 5.891) 15.100 3.118 ( 9.428 5.443 -0.669) 10.906 3.490 ( -1.013 -0.585 -13.220) 13.272 4.117 ( 2.661 1.536 4.208) 5.210 5.425 ( 18.259 10.542 2.567) 21.239 8.598 ( 9.720 5.612 -6.863) 13.155 8.849 ( 14.108 8.145 -2.123) 16.428 10.612 ( -1.841 -1.063 1.652) 2.693 11.007 ( -10.777 -6.222 -12.115) 17.367 12.066 ( -25.358 -14.641 9.853) 30.894 14.981 ( 2.538 1.465 -2.228) 3.682 ======================= Grid point 627 (217/489) ======================= q-point: ( 0.53 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 3.081 1.779 -0.313) 3.571 2.827 ( 9.731 5.618 4.564) 12.128 3.294 ( 5.945 3.433 -0.358) 6.874 3.374 ( -4.494 -2.594 -13.932) 14.867 4.192 ( 2.156 1.245 5.384) 5.931 5.771 ( 11.228 6.483 1.822) 13.093 8.897 ( 17.841 10.301 -8.040) 22.114 9.118 ( 9.784 5.649 -2.906) 11.666 10.590 ( -0.866 -0.500 2.489) 2.683 10.672 ( -16.809 -9.705 -2.884) 19.622 11.575 ( -17.364 -10.025 2.542) 20.211 15.046 ( 2.861 1.652 1.203) 3.516 ======================= Grid point 628 (218/489) ======================= q-point: ( 0.59 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 1.093 0.631 -0.458) 1.343 2.980 ( 0.330 0.190 -1.595) 1.640 3.282 ( 2.643 1.526 -7.154) 7.778 3.386 ( 2.101 1.213 -0.180) 2.432 4.231 ( -0.327 -0.189 4.165) 4.182 5.948 ( 3.574 2.063 1.384) 4.352 9.275 ( 4.473 2.583 -2.745) 5.849 9.342 ( 22.234 12.837 -10.039) 27.566 10.224 ( -21.243 -12.264 5.581) 25.156 10.577 ( -1.032 -0.596 2.548) 2.813 11.327 ( -4.496 -2.596 -1.314) 5.355 15.108 ( 1.735 1.002 3.399) 3.945 ======================= Grid point 629 (219/489) ======================= q-point: (-0.35 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( -0.926 -0.535 -0.433) 1.153 2.848 ( -7.856 -4.536 -6.900) 11.398 3.389 ( -1.807 -1.043 -0.045) 2.087 3.452 ( 10.416 6.013 -0.789) 12.053 4.194 ( -3.921 -2.264 3.087) 5.479 5.941 ( -4.459 -2.575 1.135) 5.273 9.303 ( -1.570 -0.907 -1.564) 2.395 9.602 ( -11.323 -6.537 -0.753) 13.096 10.016 ( 16.278 9.398 -1.494) 18.855 10.555 ( -1.343 -0.776 1.639) 2.257 11.331 ( 4.417 2.550 -0.907) 5.181 15.144 ( 0.385 0.222 4.952) 4.972 ======================= Grid point 630 (220/489) ======================= q-point: (-0.29 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( -3.004 -1.734 -0.261) 3.479 2.629 ( -9.264 -5.349 -5.564) 12.058 3.304 ( -5.574 -3.218 0.081) 6.436 3.702 ( 11.127 6.424 -0.936) 12.882 4.068 ( -7.738 -4.468 2.693) 9.333 5.751 ( -12.347 -7.128 0.983) 14.291 9.187 ( -8.365 -4.829 0.045) 9.659 9.234 ( -16.660 -9.618 8.097) 20.871 10.537 ( -0.241 -0.139 0.239) 0.367 10.555 ( 27.283 15.752 -9.975) 33.045 11.492 ( 9.023 5.209 -0.113) 10.419 15.163 ( -0.012 -0.007 6.181) 6.181 ======================= Grid point 631 (221/489) ======================= q-point: (-0.24 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( -5.266 -3.040 0.100) 6.082 2.388 ( -10.720 -6.189 -2.884) 12.710 3.137 ( -8.880 -5.127 0.190) 10.256 3.854 ( -10.658 -6.154 -0.839) 12.336 3.947 ( 9.302 5.371 1.394) 10.832 5.382 ( -19.931 -11.507 0.844) 23.029 8.923 ( -14.436 -8.334 1.171) 16.710 8.936 ( -11.234 -6.486 9.281) 15.950 10.556 ( 2.127 1.228 -0.813) 2.587 11.164 ( 28.449 16.425 -12.751) 35.238 11.712 ( 9.271 5.353 1.072) 10.759 15.190 ( 0.854 0.493 6.723) 6.795 ======================= Grid point 632 (222/489) ======================= q-point: (-0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -13.005 -7.508 0.581) 15.028 2.198 ( -8.161 -4.712 0.815) 9.458 2.905 ( -11.033 -6.370 0.174) 12.741 3.557 ( -14.858 -8.578 0.614) 17.167 4.144 ( 7.441 4.296 -2.069) 8.838 4.843 ( -27.040 -15.612 1.145) 31.244 8.551 ( -17.760 -10.254 1.509) 20.563 8.787 ( -3.727 -2.152 7.922) 9.016 10.629 ( 4.431 2.558 -1.220) 5.260 11.753 ( 23.903 13.800 -26.742) 38.431 11.927 ( 10.840 6.258 15.502) 19.924 15.243 ( 1.876 1.083 5.701) 6.099 ======================= Grid point 633 (223/489) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -15.676 -9.051 4.641) 18.687 1.968 ( -12.490 -7.211 2.202) 14.590 2.648 ( -10.885 -6.284 -0.209) 12.571 3.173 ( -18.801 -10.855 0.443) 21.714 4.110 ( -27.481 -15.866 -5.980) 32.291 4.318 ( -0.536 -0.310 3.571) 3.625 8.141 ( -17.702 -10.220 1.398) 20.488 8.819 ( 4.802 2.772 5.205) 7.605 10.746 ( 5.873 3.391 -1.239) 6.894 11.914 ( 2.189 1.264 -15.763) 15.965 12.474 ( 26.978 15.576 6.555) 31.834 15.296 ( 1.268 0.732 2.646) 3.024 ======================= Grid point 638 (224/489) ======================= q-point: ( 0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 0.000 21.611 15.037) 26.328 0.927 ( 0.000 24.780 17.116) 30.117 1.384 ( 0.000 25.624 33.312) 42.027 2.127 ( -0.000 3.299 -3.591) 4.876 2.244 ( -0.000 14.190 -3.731) 14.672 4.612 ( 0.000 -18.392 3.481) 18.719 7.323 ( 0.000 5.882 2.260) 6.302 8.837 ( -0.000 68.027 -44.350) 81.207 10.983 ( -0.000 -3.618 -10.620) 11.220 11.089 ( -0.000 -3.403 -1.385) 3.674 14.358 ( 0.000 -18.990 6.118) 19.951 14.847 ( -0.000 12.919 -7.852) 15.118 ======================= Grid point 639 (225/489) ======================= q-point: ( 0.24 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 6.314 22.554 11.007) 25.878 1.244 ( 4.649 14.339 22.622) 27.184 1.991 ( 22.540 29.639 18.205) 41.448 2.184 ( 3.026 5.487 -3.752) 7.304 2.505 ( 11.948 19.543 -4.046) 23.260 4.436 ( -3.986 -6.975 -2.982) 8.569 7.446 ( 4.829 8.783 2.307) 10.286 9.329 ( 9.049 6.915 -12.263) 16.736 10.870 ( -3.246 8.878 -24.277) 26.052 11.059 ( -0.573 0.784 -6.310) 6.385 14.096 ( -8.450 -21.284 10.875) 25.351 14.989 ( 4.331 8.152 -10.549) 14.017 ======================= Grid point 640 (226/489) ======================= q-point: ( 0.29 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 7.861 12.824 17.367) 22.975 1.563 ( 9.258 18.149 8.971) 22.261 2.315 ( 5.615 8.576 -3.747) 10.914 2.652 ( 18.836 17.374 9.566) 27.353 3.051 ( 25.444 26.708 -2.454) 36.970 4.318 ( -2.494 -2.721 -6.132) 7.157 7.675 ( 9.033 11.560 2.079) 14.817 9.189 ( -12.971 -13.868 3.568) 19.321 10.877 ( 1.372 -2.996 -8.111) 8.754 11.111 ( 5.048 13.575 -27.032) 30.668 13.742 ( -12.578 -20.795 15.721) 28.945 15.050 ( 0.036 3.407 -11.761) 12.245 ======================= Grid point 641 (227/489) ======================= q-point: ( 0.35 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 9.507 11.057 13.514) 19.881 1.911 ( 8.775 14.141 4.636) 17.276 2.527 ( 7.995 12.360 -2.935) 15.010 3.087 ( 14.053 10.654 3.876) 18.056 3.741 ( 22.866 19.474 -5.953) 30.619 4.298 ( 4.502 4.078 -1.503) 6.257 7.992 ( 12.113 13.813 1.524) 18.435 8.812 ( -14.544 -10.294 0.891) 17.840 10.808 ( -2.745 -3.635 -1.248) 4.723 11.231 ( 5.247 4.781 -26.517) 27.450 13.347 ( -15.769 -20.073 18.365) 31.446 15.006 ( -2.772 1.005 -11.387) 11.763 ======================= Grid point 642 (228/489) ======================= q-point: ( 0.41 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 10.854 10.026 8.809) 17.202 2.167 ( 5.983 10.162 3.042) 12.178 2.804 ( 8.642 14.617 -1.661) 17.061 3.365 ( 8.249 5.072 -2.771) 10.072 4.014 ( 4.322 2.816 -7.394) 9.015 4.688 ( 21.878 16.998 4.454) 28.061 8.358 ( 12.751 13.882 0.703) 18.862 8.553 ( -6.317 -2.152 -2.689) 7.195 10.723 ( -3.801 -1.025 -0.160) 3.940 11.203 ( -0.549 -3.484 -21.163) 21.455 12.898 ( -19.924 -19.377 16.617) 32.381 14.939 ( -1.266 0.057 -8.321) 8.417 ======================= Grid point 643 (229/489) ======================= q-point: ( 0.47 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 3.258 8.419 0.794) 9.063 2.449 ( 11.203 8.108 7.211) 15.597 3.082 ( 6.641 14.552 -0.893) 16.020 3.447 ( 1.269 0.015 -11.250) 11.321 4.088 ( 3.511 1.776 1.604) 4.249 5.223 ( 19.557 13.477 2.993) 23.939 8.498 ( 4.211 2.702 -4.149) 6.500 8.746 ( 11.324 15.561 -1.013) 19.272 10.659 ( -3.480 0.509 0.498) 3.552 11.038 ( -5.340 -6.943 -15.222) 17.562 12.376 ( -23.826 -17.363 11.210) 31.541 14.927 ( 2.417 -0.772 -3.613) 4.415 ======================= Grid point 644 (230/489) ======================= q-point: ( 0.53 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 1.122 7.392 0.049) 7.477 2.724 ( 10.197 5.988 5.448) 13.020 3.301 ( 2.896 11.818 -1.728) 12.289 3.376 ( -2.876 -0.690 -13.063) 13.394 4.171 ( 3.053 0.777 5.102) 5.996 5.630 ( 14.058 8.200 2.159) 16.417 8.690 ( 13.350 7.554 -5.463) 16.283 9.060 ( 7.978 14.053 -2.133) 16.300 10.612 ( -2.332 -0.612 1.032) 2.623 10.801 ( -9.995 -7.717 -7.390) 14.631 11.841 ( -22.593 -11.359 4.876) 25.754 14.976 ( 4.906 -2.002 0.391) 5.313 ======================= Grid point 645 (231/489) ======================= q-point: ( 0.59 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( -0.943 6.393 -0.341) 6.471 2.933 ( 6.048 2.280 2.097) 6.795 3.249 ( -1.559 -1.003 -11.619) 11.766 3.452 ( -1.405 12.183 -0.358) 12.269 4.226 ( 1.458 -1.077 4.833) 5.162 5.880 ( 7.639 3.031 1.696) 8.392 9.051 ( 19.815 9.749 -6.914) 23.141 9.274 ( 3.078 10.835 -3.181) 11.704 10.468 ( -17.584 -8.678 3.262) 19.878 10.578 ( -0.377 -2.886 -0.060) 2.911 11.468 ( -13.147 -0.847 -0.377) 13.179 15.045 ( 5.213 -3.308 2.972) 6.852 ======================= Grid point 646 (232/489) ======================= q-point: (-0.35 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( -2.958 5.064 -0.498) 5.886 2.902 ( -5.669 -3.983 -6.291) 9.358 3.328 ( 9.193 4.862 -2.884) 10.792 3.503 ( -5.588 10.193 -0.143) 11.625 4.221 ( -1.262 -3.247 3.965) 5.278 5.960 ( 0.328 -1.732 1.427) 2.268 9.349 ( -2.334 4.750 -2.215) 5.737 9.468 ( 18.117 4.860 -9.393) 20.978 10.099 ( -15.441 -1.411 7.487) 17.218 10.563 ( 0.838 -1.623 1.135) 2.151 11.356 ( -3.284 5.523 -1.777) 6.667 15.100 ( 4.171 -4.165 4.566) 7.456 ======================= Grid point 647 (233/489) ======================= q-point: (-0.29 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( -4.800 3.208 -0.491) 5.794 2.715 ( -8.319 -4.166 -5.919) 11.027 3.459 ( -9.298 7.522 -0.188) 11.962 3.559 ( 11.187 5.593 -2.513) 12.757 4.139 ( -4.741 -5.169 3.841) 7.997 5.864 ( -7.554 -5.749 1.296) 9.581 9.254 ( -7.239 -6.666 0.265) 9.845 9.467 ( -12.624 -3.143 1.846) 13.140 10.239 ( 18.638 13.237 -4.553) 23.309 10.581 ( 0.306 3.518 0.301) 3.544 11.425 ( 4.402 6.235 -1.031) 7.702 15.136 ( 3.109 -4.095 5.581) 7.589 ======================= Grid point 648 (234/489) ======================= q-point: (-0.24 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( -6.464 0.078 -0.522) 6.486 2.508 ( -9.863 -2.803 -3.111) 10.715 3.327 ( -13.007 4.935 0.056) 13.912 3.792 ( 10.229 4.276 -6.798) 13.005 3.986 ( -7.460 -5.916 6.732) 11.661 5.595 ( -15.658 -8.878 1.235) 18.042 9.013 ( -9.444 -10.849 4.684) 15.127 9.193 ( -16.959 -1.573 2.993) 17.293 10.548 ( 2.547 3.805 -0.513) 4.608 10.827 ( 22.928 15.765 -11.253) 30.014 11.603 ( 9.075 4.813 1.048) 10.325 15.168 ( 2.904 -2.995 5.898) 7.224 ======================= Grid point 649 (235/489) ======================= q-point: (-0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -10.892 -5.236 -0.093) 12.086 2.329 ( -9.539 0.299 0.368) 9.551 3.115 ( -15.515 2.228 0.114) 15.674 3.713 ( -11.472 -6.803 -1.839) 13.463 4.036 ( 8.510 3.191 0.053) 9.089 5.157 ( -23.841 -11.236 1.365) 26.391 8.757 ( -13.049 -7.907 3.157) 15.580 8.896 ( -12.360 -3.968 5.306) 14.024 10.608 ( 1.291 4.566 -0.847) 4.819 11.377 ( 26.241 13.956 -20.041) 35.847 11.827 ( 10.923 3.465 8.718) 14.399 15.216 ( 3.262 -1.508 4.897) 6.074 ======================= Grid point 650 (236/489) ======================= q-point: (-0.12 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -14.398 -5.940 3.661) 16.000 2.144 ( -11.936 -1.595 1.629) 12.152 2.850 ( -16.113 0.128 -0.175) 16.114 3.394 ( -16.649 -7.524 0.126) 18.271 4.181 ( 4.544 1.639 -5.544) 7.354 4.573 ( -29.557 -11.986 3.456) 32.081 8.389 ( -19.900 -6.823 1.643) 21.101 8.792 ( 0.637 -1.814 5.210) 5.554 10.689 ( 3.642 3.811 -1.246) 5.417 11.754 ( 12.369 4.762 -27.009) 30.086 12.200 ( 22.485 9.087 17.108) 29.679 15.271 ( 2.839 -0.749 2.091) 3.605 ======================= Grid point 656 (237/489) ======================= q-point: ( 0.24 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 0.000 21.540 10.615) 24.014 1.432 ( 0.000 15.763 21.258) 26.465 2.180 ( 0.000 34.066 16.717) 37.947 2.200 ( -0.000 6.610 -4.498) 7.995 2.624 ( -0.000 27.013 -4.213) 27.340 4.385 ( -0.000 -6.573 -5.041) 8.283 7.514 ( 0.000 11.779 2.317) 12.005 9.285 ( -0.000 1.558 -3.932) 4.230 10.986 ( -0.000 -5.923 -1.531) 6.118 10.988 ( -0.000 14.961 -32.341) 35.634 13.956 ( 0.000 -25.767 12.246) 28.529 15.013 ( -0.000 9.223 -10.581) 14.037 ======================= Grid point 657 (238/489) ======================= q-point: ( 0.29 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 2.656 16.813 13.935) 21.998 1.672 ( 3.564 16.793 14.006) 22.155 2.305 ( 4.628 9.481 -4.392) 11.428 2.626 ( 10.023 23.124 9.544) 26.950 3.022 ( 11.910 34.091 -2.593) 36.205 4.301 ( -1.267 -3.187 -6.798) 7.614 7.694 ( 4.762 14.530 2.303) 15.463 9.211 ( -4.397 -12.389 4.757) 13.980 10.850 ( -3.909 -1.445 -9.103) 10.011 11.089 ( 3.582 9.990 -26.664) 28.699 13.694 ( -4.634 -26.097 15.077) 30.493 15.064 ( -0.132 6.143 -11.203) 12.777 ======================= Grid point 658 (239/489) ======================= q-point: ( 0.35 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 4.209 12.802 14.694) 19.938 1.959 ( 5.864 15.619 6.820) 18.024 2.522 ( 7.882 14.330 -3.254) 16.675 3.006 ( 10.235 14.320 3.544) 17.955 3.603 ( 16.871 26.954 -4.495) 32.115 4.275 ( 2.028 3.817 -3.558) 5.598 7.976 ( 8.616 17.061 2.363) 19.259 8.941 ( -11.974 -11.989 3.129) 17.231 10.780 ( 0.162 -3.029 -3.909) 4.948 11.137 ( 2.455 4.300 -25.860) 26.330 13.376 ( -8.218 -25.354 16.972) 31.597 15.047 ( -3.270 3.197 -11.164) 12.064 ======================= Grid point 659 (240/489) ======================= q-point: ( 0.41 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 6.853 11.382 11.019) 17.261 2.205 ( 4.627 12.231 4.280) 13.759 2.825 ( 8.524 18.291 -1.802) 20.260 3.274 ( 7.739 6.872 -2.246) 10.591 3.944 ( 5.928 6.781 -8.220) 12.194 4.553 ( 15.803 19.355 3.762) 25.269 8.328 ( 10.143 18.005 2.360) 20.800 8.658 ( -9.669 -4.285 -0.640) 10.595 10.755 ( -0.390 -0.766 -0.953) 1.283 11.093 ( 0.712 -3.837 -22.244) 22.583 13.006 ( -12.079 -24.219 16.150) 31.517 14.965 ( -4.264 1.053 -9.449) 10.420 ======================= Grid point 660 (241/489) ======================= q-point: ( 0.47 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 8.098 10.056 7.403) 14.883 2.393 ( 3.137 10.311 3.450) 11.317 3.142 ( 6.485 19.032 -1.136) 20.139 3.383 ( 2.882 0.977 -9.695) 10.161 4.049 ( 3.839 3.344 -0.467) 5.113 5.055 ( 17.646 16.735 2.942) 24.497 8.490 ( -1.439 2.064 -1.299) 2.832 8.745 ( 9.375 19.309 0.614) 21.473 10.732 ( -3.097 1.812 -1.231) 3.793 10.968 ( -0.818 -7.740 -16.298) 18.061 12.572 ( -16.658 -21.577 12.092) 29.820 14.888 ( -1.359 -1.285 -5.846) 6.138 ======================= Grid point 661 (242/489) ======================= q-point: ( 0.53 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( 0.742 10.561 1.240) 10.660 2.642 ( 8.570 7.037 6.381) 12.794 3.319 ( -0.133 -0.133 -11.649) 11.651 3.446 ( 2.227 17.197 -2.467) 17.516 4.142 ( 3.042 1.715 4.087) 5.376 5.476 ( 14.495 9.935 2.109) 17.699 8.572 ( 6.901 6.816 -2.381) 9.987 9.091 ( 7.492 18.660 0.060) 20.107 10.650 ( -4.105 -3.442 -5.899) 7.968 10.845 ( -4.096 -2.171 -5.140) 6.922 12.097 ( -19.143 -15.264 6.383) 25.302 14.865 ( 3.150 -4.115 -1.782) 5.480 ======================= Grid point 662 (243/489) ======================= q-point: ( 0.59 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( -1.687 10.306 0.312) 10.448 2.853 ( 7.201 3.565 3.937) 8.948 3.233 ( -2.059 -1.633 -12.638) 12.908 3.639 ( -1.405 18.562 -0.397) 18.620 4.202 ( 1.506 -0.594 4.701) 4.972 5.761 ( 10.134 3.473 1.739) 10.853 8.833 ( 14.179 9.441 -3.312) 17.354 9.349 ( 2.764 14.590 -1.074) 14.889 10.529 ( -0.598 -6.824 -5.408) 8.728 10.696 ( -13.050 0.201 2.592) 13.307 11.704 ( -15.066 -3.901 0.818) 15.584 14.895 ( 6.334 -6.628 1.354) 9.268 ======================= Grid point 663 (244/489) ======================= q-point: ( 0.65 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( -4.257 8.875 -0.407) 9.851 2.921 ( -1.538 -2.143 -3.303) 4.227 3.229 ( 5.416 3.759 -5.551) 8.618 3.753 ( -6.199 17.235 0.070) 18.316 4.208 ( -0.231 -3.180 4.009) 5.122 5.903 ( 4.711 -1.842 1.547) 5.289 9.185 ( 16.506 6.442 -5.916) 18.680 9.456 ( -2.285 7.830 -0.311) 8.163 10.420 ( -16.178 -1.017 3.727) 16.633 10.501 ( 1.271 0.140 -0.116) 1.284 11.515 ( -8.292 5.066 -2.249) 9.974 14.949 ( 7.311 -7.994 3.321) 11.330 ======================= Grid point 664 (245/489) ======================= q-point: (-0.29 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( -6.157 4.343 -1.282) 7.643 2.808 ( -7.060 0.170 -4.588) 8.422 3.405 ( 10.128 4.317 -3.572) 11.575 3.767 ( -11.090 15.406 0.494) 18.989 4.154 ( -2.289 -5.531 3.686) 7.030 5.895 ( -1.867 -5.588 1.414) 6.058 9.269 ( -3.169 -9.165 -2.907) 10.123 9.569 ( 2.259 7.623 -0.005) 7.950 10.239 ( -4.590 8.669 0.381) 9.816 10.585 ( 3.265 5.879 1.755) 6.950 11.470 ( -2.823 5.899 -2.840) 7.130 15.005 ( 6.872 -7.847 4.325) 11.292 ======================= Grid point 665 (246/489) ======================= q-point: (-0.24 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( -7.069 -1.476 -1.808) 7.445 2.677 ( -9.842 4.430 -1.899) 10.959 3.597 ( 4.515 4.519 -5.319) 8.312 3.696 ( -9.182 11.396 -0.309) 14.639 4.045 ( -4.537 -6.655 5.137) 9.553 5.736 ( -9.400 -7.600 1.318) 12.159 9.056 ( -7.375 -11.663 2.158) 13.966 9.482 ( -14.845 1.084 1.536) 14.964 10.477 ( 14.361 13.236 -5.496) 20.289 10.711 ( 2.738 9.772 -0.266) 10.152 11.521 ( 4.502 3.281 -1.226) 5.704 15.059 ( 6.212 -6.349 4.363) 9.896 ======================= Grid point 666 (247/489) ======================= q-point: (-0.18 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -8.715 -2.927 -0.095) 9.194 2.533 ( -11.425 3.729 -0.203) 12.020 3.466 ( -18.228 7.962 -0.123) 19.891 3.760 ( 0.115 -1.858 -9.891) 10.064 3.956 ( 1.590 -1.647 7.967) 8.289 5.428 ( -17.718 -8.144 1.334) 19.546 8.834 ( -6.623 -9.409 3.671) 12.077 9.176 ( -19.636 -1.794 1.886) 19.808 10.683 ( -1.990 9.081 -0.280) 9.300 11.027 ( 22.259 11.428 -13.725) 28.539 11.683 ( 10.669 1.732 4.803) 11.828 15.121 ( 5.836 -4.309 3.141) 7.905 ======================= Grid point 667 (248/489) ======================= q-point: (-0.12 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -11.919 -2.911 2.753) 12.574 2.355 ( -12.237 1.383 1.084) 12.363 3.190 ( -20.229 4.177 -0.119) 20.657 3.576 ( -11.507 -5.123 -2.705) 12.883 4.077 ( 7.216 1.459 -1.534) 7.520 4.975 ( -26.152 -7.440 1.968) 27.261 8.643 ( -11.206 -5.438 2.607) 12.726 8.840 ( -12.602 -3.722 2.093) 13.306 10.712 ( -1.637 5.552 -0.718) 5.833 11.448 ( 19.588 6.740 -24.169) 31.832 11.975 ( 17.574 3.964 16.178) 24.213 15.188 ( 5.189 -2.898 0.445) 5.960 ======================= Grid point 674 (249/489) ======================= q-point: ( 0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 0.000 16.439 7.450) 18.049 1.840 ( 0.000 13.274 18.097) 22.443 2.344 ( -0.000 10.948 -4.744) 11.931 2.805 ( 0.000 22.292 6.345) 23.178 3.279 ( -0.000 37.089 -2.230) 37.156 4.267 ( -0.000 -0.686 -6.627) 6.663 7.814 ( -0.000 16.781 1.834) 16.881 9.148 ( 0.000 -11.711 6.360) 13.327 10.846 ( -0.000 -6.969 -1.304) 7.090 11.044 ( -0.000 8.652 -33.659) 34.753 13.509 ( 0.000 -27.468 16.120) 31.849 15.099 ( -0.000 6.355 -10.708) 12.452 ======================= Grid point 675 (250/489) ======================= q-point: ( 0.35 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 1.804 12.275 9.415) 15.574 2.044 ( 3.228 12.511 11.506) 17.301 2.517 ( 7.063 14.262 -3.495) 16.295 3.053 ( 3.633 16.703 1.766) 17.185 3.671 ( 6.267 27.380 -5.153) 28.556 4.291 ( 1.736 9.007 -2.316) 9.460 8.041 ( 5.181 18.682 1.716) 19.463 8.999 ( -6.408 -10.200 4.153) 12.742 10.747 ( -1.692 -4.401 -3.184) 5.689 11.037 ( 2.956 0.458 -26.687) 26.855 13.256 ( -3.258 -27.467 16.589) 32.253 15.105 ( -2.439 4.749 -10.246) 11.553 ======================= Grid point 676 (251/489) ======================= q-point: ( 0.41 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 3.974 10.668 9.034) 14.533 2.255 ( 4.530 10.325 7.130) 13.340 2.831 ( 11.003 17.448 -1.864) 20.712 3.243 ( 3.487 8.581 -4.045) 10.107 3.916 ( 3.840 9.507 -6.838) 12.324 4.560 ( 9.218 23.443 3.139) 25.385 8.364 ( 8.651 19.764 2.192) 21.685 8.782 ( -9.386 -4.343 0.038) 10.342 10.716 ( 2.377 -1.531 -1.686) 3.292 10.970 ( 0.782 -5.958 -21.340) 22.170 12.951 ( -6.326 -27.081 15.425) 31.802 15.043 ( -5.510 2.676 -9.289) 11.127 ======================= Grid point 677 (252/489) ======================= q-point: ( 0.47 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 5.785 9.201 8.722) 13.935 2.448 ( 4.420 9.764 3.937) 11.418 3.198 ( 9.534 19.053 -1.322) 21.346 3.314 ( 2.524 1.352 -9.935) 10.339 4.030 ( 3.042 5.732 -0.772) 6.535 4.990 ( 12.011 20.703 2.619) 24.078 8.571 ( -4.601 3.362 -0.176) 5.701 8.792 ( 8.307 19.448 0.923) 21.168 10.767 ( 1.272 1.681 -1.664) 2.686 10.830 ( 0.827 -9.027 -16.082) 18.461 12.595 ( -9.397 -25.432 12.435) 29.828 14.927 ( -6.097 0.116 -7.322) 9.529 ======================= Grid point 678 (253/489) ======================= q-point: ( 0.53 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( 5.196 5.937 8.422) 11.540 2.637 ( 4.303 11.626 1.272) 12.462 3.272 ( -0.225 -1.799 -12.245) 12.378 3.552 ( 7.047 19.275 -1.439) 20.573 4.133 ( 2.576 4.010 3.303) 5.799 5.365 ( 11.132 12.513 1.723) 16.836 8.574 ( 0.768 7.226 -0.696) 7.300 9.155 ( 8.200 19.899 1.584) 21.580 10.616 ( -3.369 -10.321 -12.657) 16.675 10.882 ( 1.835 5.906 -0.516) 6.206 12.208 ( -11.769 -20.522 7.967) 24.963 14.810 ( -2.983 -3.387 -4.405) 6.307 ======================= Grid point 679 (254/489) ======================= q-point: ( 0.59 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 3.112 6.850 4.982) 9.024 2.811 ( 2.980 8.338 1.244) 8.941 3.204 ( -0.634 -1.629 -11.886) 12.014 3.816 ( 2.541 16.958 -0.344) 17.151 4.213 ( 0.596 4.134 3.880) 5.701 5.628 ( 9.329 3.999 1.371) 10.242 8.739 ( 7.729 10.541 -0.232) 13.074 9.443 ( 3.795 15.062 0.916) 15.560 10.435 ( -1.125 -10.258 -9.071) 13.739 10.925 ( -6.621 8.355 1.873) 10.824 11.867 ( -10.494 -10.162 2.543) 14.827 14.741 ( 2.254 -7.255 -1.288) 7.706 ======================= Grid point 680 (255/489) ======================= q-point: ( 0.65 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( -3.865 9.455 -0.426) 10.223 2.891 ( 2.882 -0.403 0.795) 3.016 3.187 ( 1.873 3.843 -7.686) 8.795 3.970 ( -0.039 9.356 1.924) 9.552 4.257 ( -3.939 8.326 1.912) 9.407 5.778 ( 7.042 -2.950 1.348) 7.753 9.014 ( 11.173 9.578 -1.174) 14.763 9.568 ( -1.988 6.885 0.730) 7.203 10.340 ( 3.327 -8.539 -5.358) 10.616 10.829 ( -14.959 11.258 4.582) 19.275 11.681 ( -6.859 1.286 -2.152) 7.303 14.735 ( 6.860 -9.903 1.183) 12.105 ======================= Grid point 681 (256/489) ======================= q-point: (-0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( -6.071 -0.313 -3.498) 7.014 2.938 ( -3.433 7.565 0.029) 8.307 3.288 ( 6.270 4.765 -4.674) 9.158 4.021 ( -0.710 0.949 4.449) 4.605 4.243 ( -10.273 12.471 -0.400) 16.162 5.822 ( 3.452 -7.077 1.340) 7.987 9.196 ( 2.134 -2.260 -2.699) 4.117 9.612 ( 1.803 7.674 2.742) 8.347 10.296 ( 1.432 -6.928 -4.277) 8.267 10.769 ( -9.373 19.166 5.542) 22.043 11.593 ( -6.177 3.704 -4.094) 8.285 14.781 ( 9.195 -10.203 2.491) 13.959 ======================= Grid point 682 (257/489) ======================= q-point: (-0.24 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( -6.815 -1.431 -2.046) 7.258 2.906 ( -9.154 8.116 -0.761) 12.257 3.450 ( 9.227 3.060 -5.808) 11.324 4.004 ( -1.643 -3.032 6.557) 7.408 4.138 ( -15.802 11.823 -1.546) 19.796 5.764 ( -2.052 -7.967 1.222) 8.317 9.067 ( -6.375 -9.135 0.278) 11.143 9.691 ( -5.682 3.281 2.026) 6.867 10.334 ( 10.432 3.914 -5.818) 12.569 10.880 ( -4.260 19.210 4.739) 20.239 11.515 ( -2.700 -0.058 -3.764) 4.633 14.858 ( 9.468 -8.442 2.436) 12.917 ======================= Grid point 683 (258/489) ======================= q-point: (-0.18 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( -7.652 -1.029 0.290) 7.726 2.785 ( -12.266 5.399 -0.382) 13.407 3.607 ( 7.729 1.636 -9.144) 12.084 3.923 ( -19.353 7.257 -1.918) 20.758 3.961 ( -1.930 -2.686 8.897) 9.492 5.597 ( -9.488 -6.415 1.106) 11.507 8.862 ( -6.778 -8.311 1.627) 10.847 9.493 ( -16.921 -0.885 1.613) 17.021 10.655 ( 18.502 8.529 -8.462) 22.061 10.957 ( -6.923 12.512 0.782) 14.321 11.536 ( 7.608 -1.008 1.705) 7.861 14.949 ( 8.721 -5.927 1.033) 10.595 ======================= Grid point 684 (259/489) ======================= q-point: (-0.12 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( -9.392 -0.373 2.735) 9.789 2.599 ( -13.417 2.083 0.567) 13.589 3.598 ( -19.833 4.490 -0.865) 20.353 3.651 ( -4.205 -2.554 -8.704) 9.998 3.983 ( 3.932 -0.135 5.441) 6.714 5.312 ( -18.240 -3.689 1.344) 18.658 8.694 ( -4.866 -5.770 0.783) 7.589 9.148 ( -21.168 -1.778 1.391) 21.288 10.848 ( -6.576 5.841 -0.147) 8.797 11.095 ( 19.681 4.604 -16.671) 26.200 11.764 ( 15.151 2.190 11.467) 19.127 15.041 ( 7.487 -4.041 -1.510) 8.641 ======================= Grid point 692 (260/489) ======================= q-point: ( 0.35 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 0.000 9.517 3.572) 10.165 2.177 ( 0.000 10.443 14.510) 17.878 2.583 ( -0.000 14.969 -3.001) 15.267 3.185 ( -0.000 13.866 -2.209) 14.041 3.833 ( -0.000 16.719 -6.833) 18.062 4.419 ( -0.000 21.663 1.700) 21.730 8.186 ( -0.000 19.290 0.586) 19.298 8.981 ( 0.000 -6.966 2.303) 7.337 10.707 ( 0.000 -5.981 -0.483) 6.000 10.908 ( -0.000 -3.358 -25.571) 25.790 13.057 ( 0.000 -27.974 15.890) 32.172 15.150 ( -0.000 5.023 -9.149) 10.437 ======================= Grid point 693 (261/489) ======================= q-point: ( 0.41 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 3.788 7.893 2.604) 9.134 2.325 ( 1.491 8.530 12.252) 15.003 2.807 ( 8.778 15.535 -1.795) 17.934 3.280 ( 0.210 7.060 -7.983) 10.660 3.953 ( 1.298 9.585 -3.952) 10.449 4.718 ( 3.675 27.924 3.161) 28.342 8.434 ( 6.023 19.370 0.352) 20.288 8.879 ( -5.645 -2.589 -1.818) 6.471 10.657 ( 1.058 -3.045 -0.705) 3.300 10.811 ( 2.057 -8.045 -18.488) 20.267 12.797 ( -2.860 -28.145 14.037) 31.581 15.136 ( -4.008 4.104 -8.157) 9.972 ======================= Grid point 694 (262/489) ======================= q-point: ( 0.47 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 6.456 7.885 3.063) 10.641 2.473 ( 3.251 6.540 9.586) 12.051 3.158 ( 13.523 15.312 -1.583) 20.489 3.286 ( -0.527 1.915 -11.566) 11.735 4.057 ( 1.444 7.625 0.405) 7.771 5.074 ( 5.458 24.142 2.399) 24.867 8.688 ( -2.314 7.072 -1.382) 7.568 8.841 ( 5.887 15.128 -1.700) 16.322 10.676 ( 1.431 -8.462 -11.570) 14.405 10.713 ( 4.023 -1.246 -2.071) 4.693 12.489 ( -5.111 -27.341 11.389) 30.056 15.042 ( -7.794 2.295 -7.112) 10.798 ======================= Grid point 695 (263/489) ======================= q-point: ( 0.53 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( 4.735 5.364 7.924) 10.676 2.645 ( 6.980 8.006 2.811) 10.987 3.227 ( -0.858 -1.535 -12.542) 12.665 3.557 ( 12.820 16.794 -1.307) 21.168 4.151 ( 1.579 5.018 2.907) 6.010 5.375 ( 4.880 16.349 1.454) 17.123 8.667 ( -2.749 7.491 -2.146) 8.263 9.196 ( 10.262 18.797 0.752) 21.429 10.513 ( -2.229 -11.396 -11.026) 16.013 10.859 ( 7.729 5.433 0.375) 9.455 12.159 ( -6.262 -24.138 8.422) 26.321 14.882 ( -9.030 -0.491 -5.676) 10.677 ======================= Grid point 696 (264/489) ======================= q-point: ( 0.59 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 4.445 2.449 7.438) 9.004 2.861 ( 5.621 10.231 0.544) 11.686 3.158 ( -0.506 -1.725 -11.006) 11.152 3.885 ( 6.198 13.408 -0.982) 14.804 4.250 ( 3.726 6.214 3.399) 8.003 5.567 ( 3.516 6.973 0.887) 7.860 8.761 ( 3.055 11.264 0.067) 11.671 9.512 ( 5.922 14.299 0.933) 15.505 10.326 ( -2.418 -11.096 -8.558) 14.220 11.052 ( 4.268 10.025 0.442) 10.904 11.871 ( -4.802 -16.729 5.027) 18.116 14.706 ( -6.374 -4.292 -3.654) 8.509 ======================= Grid point 697 (265/489) ======================= q-point: ( 0.65 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( 4.205 0.112 3.591) 5.530 2.980 ( -2.441 6.573 -1.501) 7.171 3.167 ( 4.135 5.020 -6.406) 9.128 4.000 ( 0.027 0.982 1.882) 2.122 4.439 ( 2.313 16.723 0.885) 16.905 5.648 ( 3.472 -2.608 0.820) 4.419 8.974 ( 6.759 12.035 1.397) 13.874 9.663 ( -0.885 6.448 0.721) 6.548 10.182 ( 1.297 -10.099 -6.343) 11.995 11.157 ( -6.234 12.642 2.942) 14.399 11.728 ( -0.355 -4.676 -0.063) 4.690 14.575 ( -0.307 -8.072 -1.297) 8.182 ======================= Grid point 698 (266/489) ======================= q-point: ( 0.71 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( -2.896 -1.367 -2.761) 4.228 3.019 ( 1.725 4.735 2.139) 5.475 3.286 ( 1.452 9.595 -5.128) 10.976 3.976 ( 0.459 -6.522 3.918) 7.622 4.598 ( -7.162 21.046 -0.597) 22.239 5.659 ( 5.140 -9.626 1.025) 10.960 9.170 ( 2.339 5.351 0.639) 5.875 9.673 ( -1.012 4.599 2.155) 5.179 10.129 ( 4.927 -9.126 -5.398) 11.691 11.158 ( -9.946 16.333 5.387) 19.867 11.697 ( -3.174 1.647 -4.026) 5.385 14.538 ( 6.436 -9.631 0.476) 11.593 ======================= Grid point 699 (267/489) ======================= q-point: (-0.24 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( -5.806 -0.308 -1.560) 6.020 3.091 ( -1.428 5.081 0.869) 5.349 3.368 ( 1.258 7.065 -6.108) 9.423 3.935 ( 2.299 -8.496 5.197) 10.221 4.583 ( -16.424 16.998 -0.823) 23.651 5.653 ( 4.980 -9.806 1.018) 11.045 9.118 ( -7.080 -3.786 0.886) 8.077 9.771 ( 1.245 5.388 2.409) 6.031 10.148 ( 8.985 -3.745 -5.456) 11.159 11.206 ( -6.597 18.649 6.157) 20.718 11.586 ( -8.115 -1.708 -5.173) 9.774 14.600 ( 10.377 -8.046 0.667) 13.148 ======================= Grid point 700 (268/489) ======================= q-point: (-0.18 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( -6.908 0.707 0.836) 6.995 3.036 ( -10.078 3.848 -0.220) 10.790 3.464 ( 6.532 2.858 -7.894) 10.637 3.918 ( 1.873 -5.896 5.782) 8.468 4.378 ( -20.962 8.243 -0.026) 22.525 5.627 ( -0.285 -5.022 0.789) 5.091 8.935 ( -8.753 -4.204 1.393) 9.810 9.719 ( -9.403 -1.075 0.872) 9.505 10.376 ( 17.210 4.161 -5.832) 18.642 11.282 ( -12.776 13.594 2.418) 18.811 11.421 ( 2.448 -4.855 -0.087) 5.438 14.722 ( 10.784 -5.057 -0.710) 11.932 ======================= Grid point 701 (269/489) ======================= q-point: (-0.12 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( -7.925 1.579 3.091) 8.652 2.847 ( -13.296 0.292 0.170) 13.301 3.572 ( 5.719 1.425 -10.936) 12.423 3.889 ( -4.722 -3.173 2.928) 6.398 4.073 ( -16.541 1.296 4.183) 17.111 5.528 ( -8.789 -0.415 0.838) 8.839 8.760 ( -7.894 -2.170 -0.021) 8.187 9.474 ( -17.072 -1.578 0.768) 17.162 10.724 ( 19.939 4.035 -9.209) 22.330 11.062 ( -11.789 -3.812 -1.966) 12.545 11.592 ( 10.414 4.485 8.541) 14.196 14.853 ( 9.173 -2.650 -2.916) 9.984 ======================= Grid point 710 (270/489) ======================= q-point: ( 0.41 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( -0.000 6.030 0.919) 6.100 2.428 ( 0.000 6.661 12.097) 13.810 2.868 ( -0.000 14.222 -1.374) 14.288 3.298 ( -0.000 2.661 -12.227) 12.513 4.034 ( -0.000 9.803 -0.342) 9.809 4.982 ( -0.000 28.205 2.812) 28.345 8.562 ( -0.000 17.893 -1.188) 17.933 8.901 ( -0.000 -0.251 -6.026) 6.031 10.617 ( 0.000 -2.892 0.846) 3.014 10.657 ( -0.000 -8.487 -12.804) 15.362 12.578 ( 0.000 -28.644 11.663) 30.928 15.195 ( -0.000 4.583 -6.913) 8.294 ======================= Grid point 711 (271/489) ======================= q-point: ( 0.47 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 5.218 5.490 0.516) 7.591 2.528 ( 1.004 4.661 11.119) 12.098 3.084 ( 9.260 12.610 -1.306) 15.699 3.266 ( -0.077 0.178 -13.378) 13.379 4.132 ( 0.016 8.619 1.732) 8.791 5.270 ( 1.461 24.430 2.040) 24.558 8.770 ( 2.607 12.081 -2.796) 12.671 8.878 ( 1.475 7.226 -7.408) 10.453 10.548 ( -0.002 -8.515 -6.906) 10.964 10.632 ( 3.568 -0.308 1.349) 3.826 12.305 ( -2.141 -28.137 8.914) 29.593 15.173 ( -5.425 3.930 -6.007) 8.998 ======================= Grid point 712 (272/489) ======================= q-point: ( 0.53 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 8.720 5.553 0.805) 10.369 2.627 ( 2.705 2.851 9.748) 10.511 3.191 ( -0.543 -0.830 -12.245) 12.285 3.449 ( 15.253 12.461 -1.270) 19.737 4.204 ( -0.660 5.591 2.414) 6.125 5.511 ( 0.734 18.289 1.233) 18.346 8.778 ( -2.940 6.662 -6.393) 9.690 9.167 ( 12.655 15.336 -1.868) 19.971 10.427 ( -2.474 -8.122 -4.572) 9.643 10.749 ( 8.343 2.010 1.513) 8.714 12.014 ( -2.927 -25.176 6.619) 26.196 15.050 ( -10.305 2.311 -5.291) 11.813 ======================= Grid point 713 (273/489) ======================= q-point: ( 0.59 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 3.493 1.321 6.755) 7.719 2.799 ( 10.497 5.898 1.852) 12.182 3.132 ( -1.297 -0.451 -9.776) 9.872 3.844 ( 14.389 12.673 -1.516) 19.233 4.244 ( 1.079 2.263 2.822) 3.775 5.652 ( -1.863 10.805 0.593) 10.980 8.831 ( 1.325 10.033 -2.931) 10.536 9.510 ( 10.115 12.112 -1.167) 15.823 10.274 ( -4.912 -7.186 -3.461) 9.367 10.964 ( 12.856 3.665 0.102) 13.369 11.766 ( -2.081 -18.419 5.369) 19.298 14.844 ( -12.606 -0.136 -4.332) 13.331 ======================= Grid point 714 (274/489) ======================= q-point: ( 0.65 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( 3.496 -0.610 4.545) 5.766 3.043 ( 5.255 6.970 0.903) 8.776 3.092 ( 3.208 1.020 -6.483) 7.305 4.043 ( -1.864 3.366 -0.346) 3.864 4.429 ( 14.091 9.183 1.463) 16.883 5.660 ( -4.820 2.398 0.241) 5.389 8.998 ( 5.274 11.594 0.397) 12.743 9.711 ( 3.167 5.448 -1.252) 6.425 10.102 ( -5.123 -7.210 -2.721) 9.253 11.238 ( 10.986 7.269 -1.218) 13.229 11.632 ( 1.557 -9.206 4.456) 10.346 14.609 ( -10.688 -3.034 -2.793) 11.456 ======================= Grid point 715 (275/489) ======================= q-point: ( 0.71 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( 2.108 -0.992 0.653) 2.420 3.041 ( -1.278 1.705 -0.892) 2.310 3.302 ( 8.016 8.586 -1.519) 11.844 3.962 ( -5.120 -4.385 1.160) 6.841 4.788 ( 10.074 16.095 0.062) 18.988 5.546 ( -4.996 -7.329 0.309) 8.876 9.197 ( 3.849 8.071 1.503) 9.067 9.748 ( -1.636 3.450 0.280) 3.829 9.966 ( 0.121 -8.204 -3.308) 8.847 11.402 ( -1.399 8.450 1.866) 8.766 11.673 ( 6.112 -0.779 -0.362) 6.173 14.430 ( -3.838 -4.997 -0.969) 6.375 ======================= Grid point 716 (276/489) ======================= q-point: (-0.24 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( -2.686 0.710 -0.590) 2.840 3.069 ( 3.191 0.149 0.097) 3.196 3.479 ( 0.423 11.508 -3.373) 11.999 3.828 ( -1.210 -9.951 3.283) 10.548 5.000 ( -10.055 18.298 -0.659) 20.890 5.419 ( 7.043 -14.136 0.774) 15.812 9.224 ( -5.592 -0.138 1.386) 5.763 9.801 ( 0.869 4.217 1.830) 4.678 9.944 ( 7.497 -3.552 -4.049) 9.232 11.425 ( -3.507 4.270 2.910) 6.245 11.709 ( -4.193 3.042 -2.244) 5.646 14.393 ( 5.008 -4.069 -0.184) 6.456 ======================= Grid point 717 (277/489) ======================= q-point: (-0.18 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( -5.654 2.289 1.350) 6.247 3.118 ( 1.900 -1.782 -1.417) 2.965 3.483 ( -6.499 5.970 -5.341) 10.315 3.810 ( 5.967 -5.425 4.843) 9.407 4.789 ( -20.549 0.869 -0.121) 20.568 5.522 ( 8.631 -0.891 0.440) 8.688 9.082 ( -9.481 -0.384 2.031) 9.704 9.788 ( -1.306 -3.972 -1.472) 4.433 10.144 ( 12.502 5.621 -2.030) 13.857 11.355 ( -3.508 -9.856 -1.174) 10.527 11.619 ( -10.201 9.331 2.605) 14.068 14.502 ( 9.802 -1.015 -1.210) 9.928 ======================= Grid point 718 (278/489) ======================= q-point: (-0.12 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( -7.060 3.081 3.409) 8.423 3.028 ( -8.351 -4.051 -0.789) 9.315 3.467 ( 3.257 1.702 -8.123) 8.916 3.881 ( 2.678 -0.610 4.355) 5.149 4.398 ( -20.264 -6.577 0.943) 21.326 5.619 ( -0.002 3.962 0.438) 3.986 8.925 ( -10.399 2.532 0.845) 10.736 9.675 ( -7.776 -3.000 -1.155) 8.414 10.426 ( 15.413 3.710 -4.144) 16.385 11.111 ( -6.476 -16.461 -2.129) 17.817 11.612 ( -2.335 7.295 5.981) 9.718 14.672 ( 9.607 1.598 -2.977) 10.184 ======================= Grid point 728 (279/489) ======================= q-point: ( 0.47 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -0.000 4.243 0.048) 4.244 2.590 ( 0.000 2.705 10.554) 10.895 3.115 ( -0.000 10.916 -0.652) 10.935 3.217 ( -0.000 -1.215 -13.547) 13.602 4.223 ( 0.000 7.838 2.102) 8.115 5.496 ( -0.000 21.539 1.393) 21.584 8.862 ( -0.000 13.071 -2.305) 13.273 8.878 ( -0.000 3.252 -12.418) 12.837 10.471 ( 0.000 -5.497 0.039) 5.497 10.607 ( 0.000 0.896 1.739) 1.956 12.063 ( 0.000 -27.978 5.971) 28.608 15.249 ( -0.000 4.334 -5.032) 6.641 ======================= Grid point 729 (280/489) ======================= q-point: ( 0.53 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 6.120 3.737 0.028) 7.170 2.646 ( 0.947 0.896 9.739) 9.826 3.158 ( -0.452 -0.156 -10.858) 10.868 3.315 ( 10.814 8.734 -1.017) 13.938 4.287 ( -1.263 5.499 1.703) 5.894 5.691 ( -0.352 16.766 0.729) 16.786 8.853 ( -1.755 5.433 -10.019) 11.532 9.076 ( 10.646 10.583 -3.072) 15.322 10.415 ( -2.460 -2.946 2.463) 4.560 10.659 ( 3.807 1.106 1.763) 4.339 11.804 ( -0.245 -25.133 3.704) 25.406 15.218 ( -6.620 3.638 -4.462) 8.773 ======================= Grid point 730 (281/489) ======================= q-point: ( 0.59 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( 9.309 3.050 0.322) 9.801 2.705 ( 3.319 -0.270 7.894) 8.567 3.125 ( -0.533 0.974 -7.687) 7.766 3.650 ( 17.828 8.136 -0.785) 19.613 4.295 ( -2.781 2.344 1.170) 3.821 5.809 ( -2.602 11.079 0.203) 11.383 8.886 ( 1.003 7.917 -5.650) 9.778 9.392 ( 14.223 8.373 -2.492) 16.692 10.336 ( -6.046 -0.111 2.240) 6.448 10.759 ( 9.019 -3.216 0.397) 9.584 11.609 ( 1.506 -16.988 3.132) 17.340 15.069 ( -12.384 2.298 -3.945) 13.199 ======================= Grid point 731 (282/489) ======================= q-point: ( 0.65 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( 2.726 -1.478 4.308) 5.308 2.896 ( 13.000 2.926 0.957) 13.360 3.109 ( -1.321 2.333 -3.518) 4.424 4.039 ( 14.079 7.894 -1.952) 16.258 4.270 ( 2.515 -1.013 1.667) 3.183 5.812 ( -6.630 5.182 -0.202) 8.417 9.011 ( 4.610 8.882 -1.318) 10.094 9.646 ( 8.175 3.232 -2.736) 9.207 10.205 ( -9.948 0.072 1.734) 10.098 10.953 ( 19.111 -4.031 -1.798) 19.614 11.543 ( 2.653 -6.566 4.006) 8.136 14.828 ( -15.408 0.856 -2.972) 15.715 ======================= Grid point 732 (283/489) ======================= q-point: ( 0.71 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( 3.201 -1.842 2.064) 4.230 3.083 ( -0.364 1.771 -2.498) 3.084 3.175 ( 11.538 4.006 2.563) 12.480 4.057 ( -7.638 -0.552 -1.676) 7.839 4.577 ( 22.490 3.934 0.770) 22.844 5.681 ( -11.401 0.089 -0.418) 11.409 9.180 ( 5.676 4.752 0.079) 7.403 9.743 ( 3.432 1.451 -2.569) 4.526 10.021 ( -10.430 -1.452 2.054) 10.729 11.292 ( 19.726 1.095 -3.998) 20.157 11.564 ( 3.052 -2.557 5.000) 6.391 14.566 ( -13.793 0.192 -1.362) 13.861 ======================= Grid point 733 (284/489) ======================= q-point: (-0.24 -0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( 3.139 -0.915 0.148) 3.273 3.067 ( -2.131 1.473 0.196) 2.598 3.430 ( 12.086 3.071 1.930) 12.619 3.876 ( -9.996 -2.939 -1.910) 10.593 4.989 ( 21.039 0.230 0.448) 21.045 5.431 ( -16.026 -0.614 -0.504) 16.046 9.250 ( 1.572 -3.248 -1.296) 3.834 9.824 ( 0.634 -2.166 -0.945) 2.447 9.882 ( -2.267 7.347 2.653) 8.134 11.466 ( -0.090 -1.622 -1.522) 2.226 11.677 ( 9.923 -0.539 1.216) 10.012 14.390 ( -6.274 1.554 0.130) 6.465 ======================= Grid point 734 (285/489) ======================= q-point: (-0.18 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( 0.114 1.584 0.342) 1.625 3.049 ( 0.150 -1.473 -0.307) 1.512 3.631 ( 3.843 -10.166 3.990) 11.577 3.682 ( -4.294 9.407 -3.904) 11.053 5.017 ( -10.274 -18.027 0.124) 20.749 5.398 ( 7.512 13.414 -0.153) 15.375 9.200 ( -2.550 -2.394 -0.056) 3.498 9.732 ( -1.870 -5.156 -0.619) 5.520 10.066 ( 6.548 10.362 0.956) 12.295 11.334 ( -6.511 -11.389 -0.730) 13.139 11.775 ( 0.146 1.377 0.483) 1.466 14.398 ( 3.167 4.631 0.031) 5.611 ======================= Grid point 735 (286/489) ======================= q-point: (-0.12 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( -4.988 3.868 3.019) 6.997 3.024 ( 0.596 -6.073 -2.504) 6.596 3.466 ( -4.685 -3.949 -2.791) 6.733 3.837 ( 5.122 4.764 2.008) 7.278 4.605 ( -15.953 -16.391 0.236) 22.874 5.632 ( 5.340 9.005 0.135) 10.471 9.133 ( -6.804 4.307 1.285) 8.154 9.665 ( 0.730 -5.984 -2.094) 6.382 10.280 ( 7.484 7.627 -0.431) 10.694 11.037 ( -8.320 -19.420 -0.838) 21.144 11.740 ( -4.385 0.186 2.056) 4.846 14.556 ( 7.470 6.962 -1.296) 10.293 ======================= Grid point 746 (287/489) ======================= q-point: ( 0.53 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -0.000 2.679 0.051) 2.679 2.667 ( 0.000 -0.742 8.798) 8.829 3.135 ( -0.000 0.518 -8.550) 8.566 3.289 ( -0.000 6.805 -0.265) 6.810 4.352 ( 0.000 4.055 0.777) 4.129 5.846 ( -0.000 13.017 0.137) 13.017 8.890 ( -0.000 5.346 -9.589) 10.978 9.055 ( -0.000 7.709 -1.477) 7.849 10.436 ( 0.000 -0.630 4.950) 4.989 10.654 ( 0.000 2.340 1.029) 2.556 11.565 ( 0.000 -23.129 1.332) 23.168 15.301 ( -0.000 3.528 -3.953) 5.298 ======================= Grid point 747 (288/489) ======================= q-point: ( 0.59 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 6.531 1.969 0.096) 6.822 2.685 ( 0.909 -2.052 7.415) 7.747 3.127 ( -0.085 2.438 -4.679) 5.277 3.448 ( 11.436 4.742 -0.229) 12.383 4.365 ( -2.147 1.879 -0.200) 2.860 5.942 ( -1.391 8.302 -0.316) 8.424 8.931 ( 0.483 7.326 -4.111) 8.415 9.221 ( 11.108 5.479 -1.019) 12.428 10.439 ( -1.303 1.845 3.663) 4.303 10.650 ( -1.597 -3.303 -0.807) 3.757 11.402 ( 4.057 -14.843 1.098) 15.427 15.258 ( -7.282 2.677 -3.641) 8.570 ======================= Grid point 748 (289/489) ======================= q-point: ( 0.65 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( 6.497 -0.373 0.760) 6.552 2.723 ( 6.598 -1.320 4.556) 8.126 3.148 ( -0.470 3.945 -0.797) 4.052 3.760 ( 19.563 3.183 -0.312) 19.823 4.313 ( -4.391 -0.519 -1.019) 4.538 5.952 ( -4.268 3.451 -0.678) 5.530 9.027 ( 2.259 7.424 0.864) 7.808 9.486 ( 12.917 3.183 -1.321) 13.369 10.413 ( -10.316 3.431 2.152) 11.083 10.604 ( 11.438 -8.626 -2.798) 14.597 11.414 ( 6.508 -4.738 2.184) 8.341 15.090 ( -13.225 1.867 -2.994) 13.687 ======================= Grid point 749 (290/489) ======================= q-point: (-0.29 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 2.670 -2.982 1.873) 4.419 2.927 ( 13.341 -0.210 0.515) 13.352 3.179 ( -1.189 4.730 2.705) 5.577 4.132 ( 11.101 3.018 -3.202) 11.941 4.225 ( 5.842 -4.294 0.959) 7.313 5.856 ( -8.267 -0.365 -0.902) 8.324 9.130 ( 2.863 1.462 1.689) 3.631 9.677 ( 6.676 3.081 -1.678) 7.542 10.215 ( -11.255 -1.619 1.643) 11.489 10.884 ( 23.306 0.876 -2.538) 23.460 11.490 ( 4.367 -2.407 2.689) 5.665 14.843 ( -15.983 1.937 -1.604) 16.179 ======================= Grid point 750 (291/489) ======================= q-point: (-0.24 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 3.886 -3.033 0.023) 4.930 3.102 ( 4.352 -0.061 -0.514) 4.383 3.257 ( 6.548 2.706 5.692) 9.088 4.020 ( -8.945 -1.207 -3.778) 9.785 4.570 ( 23.285 -5.272 0.503) 23.879 5.671 ( -11.324 -0.643 -0.876) 11.376 9.143 ( 2.322 -7.027 -1.609) 7.573 9.797 ( 3.385 2.226 -0.292) 4.063 10.059 ( -7.948 5.237 3.980) 10.317 11.307 ( 21.168 3.585 -4.464) 21.928 11.504 ( 1.219 -6.696 3.361) 7.591 14.604 ( -13.609 3.784 0.329) 14.129 ======================= Grid point 751 (292/489) ======================= q-point: (-0.18 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( 5.255 -2.741 -1.724) 6.172 3.103 ( -3.201 0.466 1.857) 3.730 3.434 ( 9.398 -3.469 5.320) 11.343 3.854 ( -7.975 2.480 -4.655) 9.561 4.788 ( 11.155 -17.012 0.112) 20.343 5.526 ( -5.349 6.921 -0.573) 8.766 9.104 ( 4.221 -8.507 -2.673) 9.865 9.773 ( -3.933 -3.279 1.598) 5.364 10.120 ( 0.658 13.081 3.224) 13.489 11.348 ( -7.330 -9.620 0.299) 12.098 11.643 ( 13.346 -1.746 -2.398) 13.672 14.489 ( -5.759 7.257 1.615) 9.404 ======================= Grid point 764 (293/489) ======================= q-point: ( 0.59 0.59 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 0.000 1.007 0.353) 1.067 2.673 ( 0.000 -3.089 6.182) 6.911 3.152 ( -0.000 4.218 -0.948) 4.323 3.381 ( -0.000 2.404 -0.007) 2.404 4.394 ( -0.000 0.351 -1.350) 1.395 6.015 ( -0.000 4.129 -0.743) 4.195 9.000 ( -0.000 8.510 1.337) 8.614 9.163 ( 0.000 3.549 0.801) 3.638 10.426 ( -0.000 -4.004 -1.234) 4.189 10.686 ( -0.000 0.326 -0.908) 0.965 11.234 ( 0.000 -8.327 1.235) 8.418 15.335 ( -0.000 1.981 -3.594) 4.104 ======================= Grid point 765 (294/489) ======================= q-point: (-0.35 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 6.399 0.031 0.235) 6.403 2.662 ( 1.007 -3.843 4.719) 6.168 3.204 ( -0.200 5.850 2.576) 6.395 3.498 ( 11.734 0.258 0.089) 11.737 4.361 ( -2.528 -1.479 -2.417) 3.797 6.017 ( -1.755 -0.420 -1.099) 2.113 9.097 ( -0.365 7.532 6.427) 9.908 9.296 ( 10.831 2.453 1.589) 11.218 10.383 ( 3.335 -8.375 -6.254) 10.972 10.603 ( -7.173 1.546 -0.319) 7.345 11.273 ( 6.439 0.504 2.002) 6.762 15.276 ( -7.211 1.241 -3.332) 8.040 ======================= Grid point 766 (295/489) ======================= q-point: (-0.29 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 3.201 -3.346 0.491) 4.656 2.709 ( 9.791 -2.370 2.274) 10.328 3.268 ( -1.148 6.586 5.239) 8.493 3.771 ( 20.053 -2.071 0.168) 20.160 4.265 ( -4.889 -2.936 -3.470) 6.676 5.938 ( -4.196 -4.300 -1.360) 6.160 9.140 ( -1.851 -0.184 5.639) 5.938 9.540 ( 12.165 2.134 1.545) 12.447 10.301 ( -1.935 -6.396 -3.440) 7.516 10.629 ( 7.641 6.690 -1.158) 10.221 11.404 ( 5.143 2.203 1.590) 5.816 15.105 ( -12.483 1.310 -2.327) 12.765 ======================= Grid point 767 (296/489) ======================= q-point: (-0.24 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( 2.945 -4.485 -0.338) 5.376 2.892 ( 12.728 -3.761 0.655) 13.288 3.325 ( -2.041 6.718 7.267) 10.105 4.108 ( 17.717 -8.128 1.744) 19.570 4.124 ( -1.427 -1.104 -6.119) 6.380 5.788 ( -6.267 -5.813 -1.304) 8.646 9.064 ( -2.404 -7.971 0.699) 8.355 9.710 ( 7.022 -3.285 0.064) 7.753 10.242 ( -4.110 7.096 3.966) 9.109 10.946 ( 20.587 4.484 -2.373) 21.203 11.472 ( 0.101 0.538 0.789) 0.961 14.885 ( -14.047 2.889 -0.437) 14.348 ======================= Grid point 768 (297/489) ======================= q-point: (-0.18 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( 4.589 -4.629 -1.963) 6.808 3.033 ( 8.337 -6.837 0.229) 10.785 3.387 ( -0.437 5.894 8.710) 10.525 3.968 ( -6.170 -1.367 -4.975) 8.043 4.380 ( 17.599 -13.293 -0.473) 22.061 5.635 ( -4.462 -2.824 -0.904) 5.358 8.950 ( 1.034 -10.005 -1.684) 10.198 9.725 ( 3.000 -8.682 -0.482) 9.198 10.318 ( -3.706 15.864 6.907) 17.695 11.285 ( 13.020 -9.449 1.199) 16.132 11.444 ( -0.241 6.133 -4.501) 7.611 14.711 ( -10.565 6.020 1.743) 12.284 ======================= Grid point 782 (298/489) ======================= q-point: (-0.35 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 0.000 -0.857 0.562) 1.025 2.624 ( 0.000 -4.713 3.534) 5.890 3.287 ( 0.000 7.573 5.805) 9.542 3.384 ( 0.000 -2.061 0.168) 2.068 4.350 ( -0.000 -3.203 -3.570) 4.796 6.000 ( -0.000 -4.992 -1.452) 5.199 9.205 ( 0.000 -0.751 2.735) 2.837 9.220 ( 0.000 7.289 12.287) 14.286 10.265 ( -0.000 -5.065 -8.989) 10.317 10.651 ( -0.000 -2.529 -2.550) 3.591 11.269 ( 0.000 8.572 2.257) 8.864 15.336 ( -0.000 0.370 -3.602) 3.621 ======================= Grid point 783 (299/489) ======================= q-point: (-0.29 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 5.585 -2.130 0.083) 5.978 2.591 ( 1.445 -5.469 2.379) 6.137 3.377 ( -0.519 7.049 7.669) 10.430 3.463 ( 11.380 -3.112 0.775) 11.823 4.277 ( -2.337 -4.717 -4.733) 7.079 5.911 ( -1.373 -9.273 -1.751) 9.536 9.189 ( -2.098 -3.716 5.427) 6.904 9.360 ( 8.169 -1.302 7.358) 11.071 10.247 ( 1.835 3.887 -4.896) 6.515 10.617 ( 0.784 -0.151 -1.937) 2.095 11.403 ( 2.301 10.554 0.699) 10.825 15.269 ( -6.440 0.193 -3.213) 7.199 ======================= Grid point 784 (300/489) ======================= q-point: (-0.24 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 2.052 -5.499 -0.786) 5.922 2.650 ( 10.181 -4.741 1.113) 11.286 3.456 ( -1.488 6.935 9.269) 11.672 3.682 ( 18.268 -6.723 0.887) 19.486 4.156 ( -3.832 -4.890 -6.046) 8.669 5.766 ( -2.225 -11.935 -1.763) 12.268 9.062 ( -5.777 -8.843 1.669) 10.694 9.485 ( 10.246 -10.441 1.300) 14.686 10.375 ( 1.532 14.154 4.890) 15.053 10.716 ( 10.067 2.706 -0.961) 10.469 11.524 ( -0.462 9.517 -1.213) 9.605 15.117 ( -10.441 1.311 -1.792) 10.674 ======================= Grid point 785 (301/489) ======================= q-point: (-0.18 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 3.348 -6.163 -1.967) 7.284 2.782 ( 10.967 -7.562 0.227) 13.323 3.517 ( -2.481 6.413 10.374) 12.446 3.907 ( 15.430 -13.159 1.778) 20.357 4.039 ( -0.640 -2.511 -8.153) 8.555 5.608 ( -1.076 -11.440 -1.363) 11.571 8.874 ( -3.978 -9.931 -0.844) 10.731 9.507 ( 7.727 -14.994 -1.301) 16.917 10.570 ( -1.730 18.969 10.021) 21.522 10.959 ( 14.987 -2.313 0.008) 15.164 11.564 ( -4.353 9.672 -4.273) 11.435 14.952 ( -10.662 3.785 0.528) 11.326 ======================= Grid point 800 (302/489) ======================= q-point: (-0.29 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 0.000 -2.965 0.431) 2.996 2.526 ( 0.000 -6.615 1.123) 6.709 3.301 ( 0.000 -6.394 0.262) 6.399 3.505 ( 0.000 8.664 10.423) 13.553 4.224 ( -0.000 -6.398 -5.936) 8.727 5.798 ( 0.000 -14.179 -2.076) 14.330 9.146 ( 0.000 -7.367 2.650) 7.829 9.289 ( 0.000 -8.169 6.198) 10.254 10.327 ( -0.000 15.905 2.865) 16.161 10.578 ( -0.000 -2.424 -2.424) 3.428 11.519 ( -0.000 14.894 -1.355) 14.955 15.312 ( -0.000 -0.338 -3.623) 3.639 ======================= Grid point 801 (303/489) ======================= q-point: (-0.24 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 3.025 -5.084 -0.813) 5.971 2.473 ( 3.386 -7.115 0.703) 7.910 3.324 ( 10.561 -8.636 0.464) 13.650 3.610 ( -0.912 6.710 11.565) 13.401 4.124 ( -1.511 -6.317 -7.070) 9.601 5.628 ( -0.084 -17.952 -2.170) 18.083 9.052 ( -2.596 -10.905 0.223) 11.212 9.222 ( 4.955 -13.251 0.723) 14.165 10.524 ( 0.634 13.536 4.642) 14.323 10.631 ( 5.260 8.736 5.787) 11.725 11.657 ( -1.060 14.926 -4.001) 15.489 15.253 ( -5.160 0.273 -3.022) 5.986 ======================= Grid point 802 (304/489) ======================= q-point: (-0.18 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 2.085 -8.028 -1.961) 8.522 2.532 ( 9.031 -7.435 -0.020) 11.697 3.462 ( 15.547 -11.273 0.802) 19.220 3.664 ( -1.409 0.670 10.991) 11.102 4.026 ( -1.855 -2.045 -7.196) 7.707 5.443 ( 1.571 -19.364 -1.863) 19.516 8.861 ( -5.471 -10.099 -2.061) 11.670 9.190 ( 8.293 -17.624 -1.166) 19.513 10.680 ( 8.251 3.706 0.494) 9.059 10.890 ( 0.972 19.683 15.415) 25.020 11.740 ( -4.004 13.960 -7.284) 16.247 15.141 ( -7.758 2.116 -1.198) 8.130 ======================= Grid point 818 (305/489) ======================= q-point: (-0.24 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 0.000 -5.464 -0.144) 5.466 2.369 ( 0.000 -9.425 -1.074) 9.486 3.136 ( 0.000 -10.251 0.287) 10.255 3.701 ( 0.000 0.933 11.519) 11.556 4.060 ( -0.000 -3.413 -6.676) 7.498 5.413 ( 0.000 -22.995 -2.396) 23.119 8.929 ( 0.000 -15.385 0.603) 15.397 9.066 ( -0.000 -11.688 -4.090) 12.382 10.554 ( -0.000 1.246 -0.569) 1.370 10.843 ( 0.000 26.032 18.861) 32.147 11.809 ( -0.000 16.299 -7.305) 17.861 15.287 ( -0.000 0.229 -3.460) 3.468 ======================= Grid point 819 (306/489) ======================= q-point: (-0.18 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 0.998 -10.766 -2.226) 11.039 2.334 ( 5.000 -7.527 -0.570) 9.054 3.114 ( 9.733 -12.333 0.247) 15.713 3.676 ( -0.620 -9.338 6.221) 11.237 4.044 ( -0.969 4.325 -1.629) 4.722 5.174 ( 2.042 -26.095 -2.300) 26.276 8.780 ( 1.198 -16.290 -1.822) 16.435 8.940 ( 0.495 -11.331 -4.135) 12.072 10.603 ( 3.345 2.954 0.355) 4.476 11.175 ( 0.233 25.052 23.045) 34.040 11.922 ( -2.589 16.093 -11.306) 19.837 15.250 ( -3.628 1.301 -2.632) 4.667 ======================= Grid point 836 (307/489) ======================= q-point: (-0.18 -0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -0.000 -13.470 -3.131) 13.829 2.207 ( 0.000 -8.922 -1.133) 8.993 2.905 ( 0.000 -12.809 0.284) 12.812 3.556 ( 0.000 -16.215 1.124) 16.254 4.117 ( 0.000 6.581 3.592) 7.498 4.861 ( 0.000 -30.655 -2.680) 30.771 8.563 ( 0.000 -20.319 -1.127) 20.350 8.854 ( -0.000 -4.977 -6.704) 8.349 10.619 ( 0.000 4.916 0.957) 5.008 11.497 ( 0.000 22.746 28.400) 36.386 12.073 ( -0.000 18.149 -15.821) 24.076 15.283 ( -0.000 1.332 -3.083) 3.358 ======================= Grid point 927 (308/489) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 0.000 -0.000 20.894) 20.894 0.606 ( 0.000 -0.000 20.894) 20.894 1.302 ( 0.000 -0.000 46.027) 46.027 2.082 ( -0.000 0.000 -3.970) 3.970 2.082 ( -0.000 0.000 -3.970) 3.970 5.104 ( -0.000 0.000 -13.240) 13.240 7.273 ( 0.000 -0.000 2.535) 2.535 7.273 ( 0.000 -0.000 2.535) 2.535 11.122 ( -0.000 0.000 -1.402) 1.402 11.122 ( -0.000 0.000 -1.402) 1.402 14.545 ( 0.000 -0.000 1.148) 1.148 14.688 ( -0.000 0.000 -0.586) 0.586 ======================= Grid point 928 (309/489) ======================= q-point: ( 0.24 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 14.499 8.371 15.193) 22.608 1.065 ( 18.075 10.436 20.161) 29.019 1.634 ( 20.280 11.708 33.924) 41.222 2.101 ( 2.804 1.619 -4.243) 5.337 2.226 ( 12.770 7.373 -4.499) 15.417 4.620 ( -16.887 -9.750 -1.404) 19.550 7.338 ( 4.914 2.837 2.579) 6.233 8.630 ( 66.788 38.560 -35.456) 84.880 10.857 ( -16.726 -9.657 -5.751) 20.151 11.089 ( -2.553 -1.474 -1.410) 3.268 14.412 ( -12.029 -6.945 5.192) 14.829 14.813 ( 9.327 5.385 -6.573) 12.618 ======================= Grid point 929 (310/489) ======================= q-point: ( 0.29 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 18.414 10.631 9.654) 23.352 1.417 ( 9.126 5.269 24.107) 26.310 2.186 ( 5.728 3.307 -4.361) 7.922 2.345 ( 28.682 16.560 17.196) 37.318 2.626 ( 24.431 14.106 -4.791) 28.615 4.367 ( -6.287 -3.630 -6.255) 9.583 7.512 ( 9.449 5.455 2.299) 11.150 9.364 ( 0.921 0.531 -3.152) 3.326 10.678 ( 11.796 6.810 -31.492) 34.311 11.001 ( -4.511 -2.604 -1.353) 5.382 14.096 ( -16.882 -9.747 11.773) 22.773 14.953 ( 4.421 2.552 -11.089) 12.208 ======================= Grid point 930 (311/489) ======================= q-point: ( 0.35 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 15.953 9.210 6.474) 19.525 1.696 ( 10.049 5.802 18.574) 21.901 2.342 ( 9.104 5.256 -3.992) 11.245 2.892 ( 17.831 10.295 6.772) 21.674 3.328 ( 32.704 18.882 -2.395) 37.839 4.260 ( -0.752 -0.434 -6.455) 6.513 7.781 ( 13.302 7.680 1.697) 15.453 9.048 ( -19.764 -11.411 4.064) 23.181 10.883 ( -5.241 -3.026 -1.146) 6.160 10.979 ( 16.202 9.354 -30.793) 36.030 13.720 ( -19.582 -11.306 16.207) 27.820 14.958 ( -0.202 -0.117 -12.133) 12.136 ======================= Grid point 931 (312/489) ======================= q-point: ( 0.41 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 12.000 6.928 12.904) 18.935 2.002 ( 10.867 6.274 3.586) 13.050 2.580 ( 12.198 7.043 -2.617) 14.326 3.246 ( 11.398 6.581 1.049) 13.203 3.885 ( 13.315 7.688 -9.520) 18.084 4.417 ( 18.354 10.597 3.019) 21.407 8.123 ( 15.717 9.074 0.809) 18.166 8.658 ( -13.243 -7.646 0.283) 15.295 10.764 ( -4.639 -2.678 -0.677) 5.399 11.138 ( 4.726 2.729 -23.554) 24.178 13.282 ( -23.083 -13.327 16.159) 31.170 14.909 ( -0.358 -0.206 -9.527) 9.536 ======================= Grid point 932 (313/489) ======================= q-point: ( 0.47 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 7.117 4.109 1.324) 8.324 2.316 ( 12.459 7.193 9.111) 17.029 2.862 ( 12.170 7.026 -1.241) 14.107 3.400 ( 3.020 1.744 -8.161) 8.875 4.037 ( 5.406 3.121 -2.370) 6.677 4.958 ( 23.500 13.568 3.614) 27.375 8.476 ( -2.055 -1.187 -2.403) 3.377 8.491 ( 15.876 9.166 -0.337) 18.335 10.673 ( -3.061 -1.767 0.154) 3.538 11.078 ( -3.583 -2.069 -18.066) 18.533 12.748 ( -26.939 -15.553 11.719) 33.241 14.907 ( 2.130 1.230 -4.211) 4.876 ======================= Grid point 933 (314/489) ======================= q-point: ( 0.53 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 4.856 2.804 0.147) 5.609 2.615 ( 11.282 6.514 6.615) 14.610 3.112 ( 9.583 5.533 -0.587) 11.081 3.366 ( -2.232 -1.289 -13.949) 14.185 4.153 ( 4.148 2.395 3.788) 6.106 5.448 ( 17.907 10.338 2.594) 20.839 8.547 ( 8.788 5.074 -4.130) 10.956 8.831 ( 13.569 7.834 -1.629) 15.753 10.626 ( -1.343 -0.776 1.303) 2.026 10.896 ( -7.867 -4.542 -12.155) 15.174 12.140 ( -27.350 -15.790 6.340) 32.211 14.974 ( 3.772 2.178 0.521) 4.386 ======================= Grid point 934 (315/489) ======================= q-point: ( 0.59 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 2.971 1.715 -0.396) 3.454 2.867 ( 8.735 5.043 4.227) 10.937 3.245 ( -3.674 -2.121 -14.343) 14.957 3.291 ( 6.020 3.476 -0.318) 6.958 4.240 ( 2.060 1.189 4.976) 5.516 5.789 ( 11.003 6.353 2.016) 12.865 8.832 ( 16.796 9.697 -6.200) 20.362 9.092 ( 9.522 5.497 -2.709) 11.324 10.612 ( -0.569 -0.329 2.410) 2.498 10.640 ( -12.801 -7.391 -4.009) 15.315 11.593 ( -19.479 -11.246 1.383) 22.535 15.067 ( 3.533 2.040 3.392) 5.305 ======================= Grid point 935 (316/489) ======================= q-point: ( 0.65 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 1.084 0.626 -0.604) 1.390 2.949 ( -3.593 -2.075 -5.194) 6.648 3.224 ( 6.984 4.032 -5.479) 9.749 3.385 ( 2.151 1.242 -0.187) 2.491 4.271 ( -0.728 -0.420 4.529) 4.606 5.962 ( 3.424 1.977 1.691) 4.300 9.248 ( 4.680 2.702 -3.081) 6.220 9.250 ( 20.657 11.926 -10.018) 25.871 10.273 ( -18.196 -10.505 5.355) 21.682 10.603 ( -1.157 -0.668 2.917) 3.209 11.312 ( -4.829 -2.788 -1.904) 5.892 15.146 ( 2.113 1.220 4.929) 5.500 ======================= Grid point 936 (317/489) ======================= q-point: (-0.29 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( -0.863 -0.498 -0.591) 1.158 2.783 ( -7.522 -4.343 -7.139) 11.244 3.389 ( -1.759 -1.016 -0.102) 2.034 3.432 ( 10.693 6.174 -3.472) 12.826 4.229 ( -4.148 -2.395 4.411) 6.512 5.954 ( -4.557 -2.631 1.579) 5.494 9.284 ( -0.923 -0.533 -2.469) 2.690 9.559 ( -0.422 -0.244 -8.469) 8.483 10.032 ( 5.634 3.253 4.925) 8.159 10.574 ( -1.898 -1.096 2.470) 3.302 11.321 ( 5.002 2.888 -1.333) 5.928 15.194 ( 0.676 0.390 5.784) 5.836 ======================= Grid point 937 (318/489) ======================= q-point: (-0.24 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( -2.872 -1.658 -0.371) 3.336 2.582 ( -8.332 -4.811 -4.673) 10.696 3.304 ( -5.524 -3.190 -0.044) 6.379 3.667 ( 10.542 6.087 -6.336) 13.723 4.109 ( -7.368 -4.254 5.836) 10.318 5.763 ( -12.441 -7.183 1.625) 14.457 9.182 ( -7.605 -4.391 -1.085) 8.849 9.295 ( -14.675 -8.473 4.945) 17.652 10.460 ( 25.007 14.438 -10.416) 30.697 10.543 ( -0.932 -0.538 1.208) 1.618 11.496 ( 9.643 5.567 0.883) 11.169 15.219 ( 0.185 0.107 6.101) 6.105 ======================= Grid point 938 (319/489) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( -5.031 -2.905 0.128) 5.811 2.369 ( -9.552 -5.515 -1.148) 11.089 3.137 ( -8.848 -5.109 -0.050) 10.217 3.797 ( -2.226 -1.285 -9.275) 9.624 3.996 ( 0.567 0.327 7.066) 7.097 5.394 ( -20.010 -11.553 1.787) 23.175 8.930 ( -13.952 -8.055 0.308) 16.113 9.013 ( -10.957 -6.326 7.340) 14.627 10.552 ( 1.670 0.964 -0.134) 1.933 11.017 ( 26.331 15.202 -18.533) 35.607 11.748 ( 11.160 6.443 5.938) 14.188 15.246 ( 0.720 0.415 5.423) 5.486 ======================= Grid point 945 (320/489) ======================= q-point: ( 0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 0.000 18.805 15.404) 24.309 1.074 ( 0.000 27.086 15.643) 31.279 1.712 ( 0.000 15.596 37.591) 40.698 2.088 ( -0.000 3.263 -4.918) 5.902 2.206 ( -0.000 14.210 -4.724) 14.975 4.611 ( -0.000 -19.544 -3.691) 19.890 7.346 ( 0.000 5.802 2.670) 6.387 8.504 ( -0.000 72.461 -29.032) 78.060 10.906 ( -0.000 -13.359 -6.724) 14.956 11.076 ( -0.000 -3.422 -1.562) 3.762 14.409 ( 0.000 -15.479 5.140) 16.310 14.787 ( -0.000 9.508 -5.659) 11.064 ======================= Grid point 946 (321/489) ======================= q-point: ( 0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 5.175 21.599 11.617) 25.065 1.450 ( 6.115 13.535 21.702) 26.298 2.138 ( 4.737 7.265 -2.514) 9.030 2.186 ( 16.864 22.184 20.511) 34.601 2.463 ( 11.924 19.624 -5.395) 23.588 4.392 ( -4.862 -8.368 -6.722) 11.784 7.468 ( 4.759 8.708 2.580) 10.254 9.215 ( 17.432 22.087 -12.215) 30.674 10.655 ( -8.462 1.597 -21.180) 22.863 11.027 ( -1.384 -3.306 -2.392) 4.309 14.190 ( -7.052 -18.658 9.763) 22.207 14.896 ( 3.403 6.917 -9.660) 12.359 ======================= Grid point 947 (322/489) ======================= q-point: ( 0.35 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 9.438 17.884 9.024) 22.144 1.709 ( 4.817 9.852 20.306) 23.078 2.277 ( 5.926 8.842 -4.658) 11.619 2.737 ( 16.002 14.110 8.467) 22.953 3.032 ( 26.014 27.258 -1.332) 37.703 4.253 ( -2.161 -2.337 -8.171) 8.769 7.695 ( 8.775 11.581 2.301) 14.711 9.231 ( -12.815 -13.544 5.740) 19.509 10.712 ( 10.659 11.010 -26.979) 31.027 10.959 ( -2.509 1.306 -7.099) 7.641 13.878 ( -11.176 -19.337 14.108) 26.417 14.942 ( -0.274 3.347 -11.880) 12.346 ======================= Grid point 948 (323/489) ======================= q-point: ( 0.41 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 7.984 10.931 10.323) 17.024 1.969 ( 7.064 11.662 10.923) 17.470 2.499 ( 8.516 12.976 -3.293) 15.866 3.117 ( 12.539 8.824 2.546) 15.542 3.683 ( 19.605 16.762 -6.677) 26.644 4.284 ( 8.635 7.664 -1.543) 11.648 8.007 ( 11.629 13.963 1.815) 18.262 8.829 ( -16.207 -11.621 2.859) 20.147 10.791 ( -0.828 -3.071 -2.822) 4.252 11.000 ( 5.818 6.176 -23.619) 25.096 13.501 ( -15.484 -19.826 15.291) 29.439 14.904 ( -1.991 1.620 -10.708) 11.012 ======================= Grid point 949 (324/489) ======================= q-point: ( 0.47 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 5.208 9.671 2.812) 11.339 2.237 ( 9.172 9.046 11.223) 17.086 2.790 ( 9.023 15.053 -1.538) 17.618 3.328 ( 5.328 2.513 -5.549) 8.094 3.955 ( 7.236 5.255 -5.446) 10.470 4.725 ( 21.766 16.752 3.522) 27.691 8.367 ( 12.052 14.241 1.195) 18.695 8.540 ( -7.572 -3.161 -0.189) 8.208 10.720 ( -3.447 -0.909 -0.575) 3.611 11.017 ( 1.217 -2.155 -19.538) 19.694 13.029 ( -21.144 -19.969 12.025) 31.471 14.873 ( 0.563 0.758 -6.051) 6.124 ======================= Grid point 950 (325/489) ======================= q-point: ( 0.53 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 2.723 8.334 0.808) 8.805 2.520 ( 10.085 7.522 8.450) 15.155 3.075 ( 6.779 14.603 -0.706) 16.116 3.338 ( -0.537 -1.099 -12.528) 12.588 4.103 ( 5.626 3.276 1.829) 6.763 5.249 ( 19.297 13.145 2.686) 23.502 8.473 ( 2.988 2.443 -1.376) 4.098 8.740 ( 10.641 15.656 -0.259) 18.932 10.660 ( -2.881 0.020 -0.321) 2.899 10.905 ( -3.304 -4.898 -13.869) 15.075 12.458 ( -25.527 -18.232 6.906) 32.120 14.907 ( 4.203 -0.468 -0.832) 4.310 ======================= Grid point 951 (326/489) ======================= q-point: ( 0.59 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 0.810 7.440 -0.034) 7.484 2.775 ( 9.215 5.489 5.874) 12.228 3.233 ( -2.218 -1.628 -13.314) 13.595 3.310 ( 2.146 13.008 -1.531) 13.273 4.215 ( 3.526 1.024 4.357) 5.698 5.649 ( 13.911 8.004 2.122) 16.189 8.651 ( 12.044 7.560 -3.056) 14.544 9.044 ( 7.174 14.139 -1.438) 15.920 10.614 ( -1.041 -2.402 -1.003) 2.804 10.739 ( -7.590 -3.929 -5.779) 10.317 11.874 ( -24.248 -12.490 2.465) 27.386 14.990 ( 6.080 -2.039 2.655) 6.940 ======================= Grid point 952 (327/489) ======================= q-point: ( 0.65 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( -1.099 6.454 -0.445) 6.562 2.943 ( 2.190 0.057 -0.413) 2.229 3.149 ( 1.943 1.564 -9.807) 10.119 3.449 ( -1.313 12.216 -0.277) 12.290 4.269 ( 1.322 -1.249 4.510) 4.863 5.896 ( 7.531 2.917 1.818) 8.278 8.991 ( 18.016 9.859 -6.131) 21.432 9.248 ( 2.487 11.025 -2.398) 11.554 10.490 ( -14.524 -5.635 1.388) 15.640 10.583 ( 0.568 -4.467 1.179) 4.654 11.461 ( -14.214 -1.565 -1.181) 14.348 15.079 ( 5.903 -3.476 4.471) 8.181 ======================= Grid point 953 (328/489) ======================= q-point: (-0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( -2.989 5.105 -0.583) 5.944 2.840 ( -6.276 -3.710 -7.200) 10.247 3.299 ( 9.783 5.161 -3.571) 11.623 3.501 ( -5.534 10.264 -0.157) 11.662 4.260 ( -1.340 -3.418 4.380) 5.715 5.974 ( 0.262 -1.805 1.681) 2.481 9.318 ( 0.570 3.442 -5.133) 6.206 9.386 ( 14.106 8.945 -7.714) 18.398 10.171 ( -14.796 -2.374 8.174) 17.069 10.575 ( 1.640 -2.568 1.379) 3.344 11.338 ( -3.047 5.463 -2.230) 6.641 15.146 ( 4.626 -4.365 5.300) 8.279 ======================= Grid point 954 (329/489) ======================= q-point: (-0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( -4.711 3.176 -0.486) 5.703 2.663 ( -7.681 -3.210 -5.253) 9.844 3.456 ( -8.101 7.019 -0.754) 10.746 3.522 ( 9.326 5.860 -5.194) 12.177 4.182 ( -4.367 -5.112 5.216) 8.510 5.878 ( -7.577 -5.831 1.708) 9.712 9.249 ( -5.732 -4.837 -1.411) 7.632 9.466 ( -8.812 -1.356 -2.361) 9.223 10.210 ( 13.303 11.381 -1.497) 17.571 10.587 ( -0.460 2.315 1.073) 2.593 11.417 ( 5.413 6.177 -0.833) 8.255 15.187 ( 3.438 -4.385 5.465) 7.805 ======================= Grid point 955 (330/489) ======================= q-point: (-0.18 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( -6.255 -0.461 -0.118) 6.273 2.485 ( -8.912 -1.257 -1.887) 9.196 3.327 ( -12.908 4.938 -0.194) 13.822 3.711 ( 7.769 3.084 -10.295) 13.261 4.055 ( -5.425 -4.871 7.900) 10.750 5.609 ( -15.647 -8.994 1.853) 18.143 9.044 ( -8.729 -9.368 2.123) 12.979 9.216 ( -15.726 -2.347 1.847) 16.007 10.544 ( 4.427 4.234 -0.709) 6.167 10.718 ( 17.089 14.462 -11.965) 25.384 11.623 ( 11.007 5.345 3.161) 12.638 15.217 ( 3.011 -3.557 4.747) 6.652 ======================= Grid point 963 (331/489) ======================= q-point: ( 0.29 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 0.000 19.865 10.945) 22.681 1.618 ( 0.000 16.461 19.424) 25.461 2.153 ( -0.000 6.659 -5.894) 8.893 2.353 ( 0.000 26.340 20.794) 33.559 2.582 ( -0.000 28.167 -4.753) 28.565 4.324 ( -0.000 -7.520 -8.286) 11.190 7.535 ( 0.000 11.593 2.400) 11.839 9.254 ( -0.000 13.395 -2.591) 13.643 10.709 ( -0.000 6.762 -28.480) 29.272 10.972 ( -0.000 -5.881 -1.476) 6.063 14.064 ( 0.000 -23.094 11.464) 25.783 14.918 ( -0.000 8.152 -10.079) 12.963 ======================= Grid point 964 (332/489) ======================= q-point: ( 0.35 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 4.222 18.043 9.352) 20.757 1.833 ( 1.169 12.424 18.857) 22.612 2.260 ( 5.097 9.872 -5.528) 12.409 2.711 ( 8.087 18.432 8.286) 21.767 3.006 ( 12.219 34.699 -0.288) 36.788 4.230 ( -1.049 -2.531 -8.829) 9.244 7.714 ( 4.876 14.354 2.236) 15.324 9.264 ( -4.285 -11.078 7.013) 13.793 10.678 ( -1.467 11.690 -27.316) 29.748 10.940 ( 2.028 -2.246 -7.163) 7.776 13.827 ( -4.202 -24.354 14.032) 28.420 14.961 ( -0.432 6.092 -11.432) 12.961 ======================= Grid point 965 (333/489) ======================= q-point: ( 0.41 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 4.914 12.290 9.725) 16.425 2.042 ( 3.340 12.862 12.664) 18.356 2.490 ( 8.459 15.163 -3.645) 17.741 3.033 ( 9.183 11.921 2.177) 15.205 3.562 ( 14.770 24.032 -4.405) 28.550 4.241 ( 4.480 7.723 -3.730) 9.676 7.997 ( 8.654 17.069 2.252) 19.269 8.974 ( -13.415 -13.670 4.227) 19.614 10.720 ( 3.444 1.878 -10.678) 11.375 10.936 ( 1.375 1.869 -16.586) 16.747 13.521 ( -8.075 -24.850 14.928) 30.092 14.944 ( -3.062 3.864 -11.214) 12.250 ======================= Grid point 966 (334/489) ======================= q-point: ( 0.47 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 5.609 10.618 7.140) 13.971 2.259 ( 4.012 10.973 9.101) 14.809 2.809 ( 8.913 18.817 -1.662) 20.888 3.243 ( 5.792 3.788 -4.665) 8.346 3.878 ( 7.215 8.902 -6.168) 13.013 4.583 ( 16.357 19.800 2.709) 25.825 8.350 ( 10.007 18.368 2.350) 21.049 8.658 ( -10.627 -5.643 0.816) 12.060 10.744 ( 0.531 -0.193 -1.460) 1.566 10.903 ( 1.350 -2.701 -19.106) 19.343 13.138 ( -12.933 -24.604 12.702) 30.561 14.883 ( -3.034 1.757 -8.263) 8.976 ======================= Grid point 967 (335/489) ======================= q-point: ( 0.53 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 2.550 11.257 1.615) 11.655 2.477 ( 7.073 8.158 10.154) 14.822 3.132 ( 6.434 18.473 -1.001) 19.587 3.288 ( 1.495 -0.014 -10.990) 11.092 4.048 ( 5.770 5.403 0.216) 7.908 5.080 ( 17.495 16.316 2.362) 24.039 8.486 ( -2.320 1.396 0.551) 2.763 8.753 ( 9.172 19.816 1.219) 21.870 10.710 ( -3.601 -1.349 -4.309) 5.776 10.838 ( 1.356 -3.155 -11.355) 11.863 12.663 ( -18.342 -22.187 8.022) 29.884 14.844 ( 0.526 -1.133 -3.604) 3.815 ======================= Grid point 968 (336/489) ======================= q-point: ( 0.59 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 0.153 11.001 0.664) 11.022 2.706 ( 7.683 5.994 7.613) 12.365 3.205 ( -1.291 -2.028 -13.037) 13.256 3.432 ( 2.993 19.168 -0.927) 19.423 4.176 ( 3.791 2.286 3.273) 5.506 5.494 ( 14.482 9.649 1.836) 17.498 8.561 ( 6.063 6.901 -0.140) 9.187 9.095 ( 6.680 18.972 0.693) 20.126 10.585 ( -2.360 -6.971 -7.967) 10.847 10.813 ( -3.237 2.909 -2.239) 4.894 12.140 ( -20.886 -16.036 3.164) 26.522 14.859 ( 4.832 -4.457 0.467) 6.590 ======================= Grid point 969 (337/489) ======================= q-point: ( 0.65 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( -2.100 10.481 0.010) 10.689 2.888 ( 5.313 2.010 3.733) 6.797 3.121 ( -0.990 0.043 -11.911) 11.952 3.637 ( -1.320 18.784 -0.172) 18.831 4.241 ( 1.664 -0.781 3.844) 4.261 5.777 ( 10.160 3.300 1.664) 10.811 8.810 ( 12.600 9.764 -1.849) 16.047 9.344 ( 1.944 15.058 -0.171) 15.184 10.480 ( 1.492 -7.098 -5.269) 8.965 10.719 ( -11.684 1.948 2.344) 12.075 11.703 ( -16.340 -4.891 -0.853) 17.077 14.915 ( 7.478 -7.133 2.942) 10.745 ======================= Grid point 970 (338/489) ======================= q-point: ( 0.71 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( -4.401 8.578 -0.546) 9.657 2.882 ( -3.882 -1.931 -5.295) 6.843 3.186 ( 7.227 4.495 -3.820) 9.329 3.754 ( -6.300 17.698 0.125) 18.786 4.243 ( -0.069 -3.679 3.732) 5.241 5.918 ( 4.715 -1.952 1.617) 5.354 9.131 ( 13.864 6.962 -5.868) 16.586 9.457 ( -1.891 9.582 0.536) 9.781 10.442 ( -6.117 -7.831 0.974) 9.985 10.511 ( -6.359 6.288 2.467) 9.277 11.491 ( -8.442 4.485 -2.867) 9.980 14.983 ( 8.024 -8.519 4.054) 12.385 ======================= Grid point 971 (339/489) ======================= q-point: (-0.24 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( -5.896 3.033 -1.329) 6.762 2.768 ( -7.143 2.643 -4.098) 8.649 3.365 ( 9.487 3.880 -4.944) 11.380 3.770 ( -11.297 15.997 0.238) 19.585 4.191 ( -1.728 -5.958 4.267) 7.529 5.909 ( -1.861 -5.701 1.617) 6.212 9.236 ( -0.697 -6.671 -4.383) 8.012 9.564 ( 0.665 9.664 -0.937) 9.732 10.249 ( -5.554 3.668 1.899) 6.922 10.601 ( 2.624 7.541 1.726) 8.169 11.444 ( -2.188 5.442 -2.666) 6.443 15.044 ( 7.314 -8.481 4.155) 11.945 ======================= Grid point 972 (340/489) ======================= q-point: (-0.18 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -6.565 -1.468 -0.728) 6.767 2.662 ( -9.523 5.636 -1.494) 11.166 3.536 ( 6.873 3.086 -7.925) 10.935 3.690 ( -13.284 12.337 -0.825) 18.148 4.099 ( -3.266 -6.329 6.326) 9.526 5.750 ( -9.359 -7.768 1.663) 12.276 9.068 ( -5.897 -10.800 0.413) 12.312 9.490 ( -14.504 2.017 0.173) 14.645 10.424 ( 13.890 11.476 -5.820) 18.934 10.711 ( -0.804 10.177 0.241) 10.212 11.517 ( 6.379 3.487 0.218) 7.273 15.094 ( 6.416 -7.287 3.269) 10.245 ======================= Grid point 981 (341/489) ======================= q-point: ( 0.35 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 0.000 14.687 7.587) 16.531 2.004 ( 0.000 11.703 17.665) 21.190 2.295 ( -0.000 11.797 -5.918) 13.198 2.858 ( 0.000 18.647 4.840) 19.265 3.266 ( -0.000 35.539 -0.450) 35.542 4.201 ( -0.000 1.619 -7.747) 7.915 7.829 ( -0.000 16.398 1.541) 16.470 9.212 ( 0.000 -12.768 7.595) 14.856 10.745 ( -0.000 11.155 -31.720) 33.625 10.835 ( 0.000 -6.780 -0.992) 6.852 13.651 ( 0.000 -26.322 15.072) 30.331 14.998 ( -0.000 6.764 -11.299) 13.169 ======================= Grid point 982 (342/489) ======================= q-point: ( 0.41 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 3.493 10.541 5.667) 12.467 2.169 ( 0.800 10.936 14.572) 18.237 2.484 ( 7.647 15.389 -3.773) 17.594 3.062 ( 3.045 13.389 0.072) 13.731 3.626 ( 5.329 24.184 -4.559) 25.180 4.270 ( 2.872 13.897 -2.167) 14.355 8.055 ( 5.564 18.287 1.276) 19.158 9.035 ( -7.329 -12.657 3.521) 15.044 10.688 ( -1.506 1.574 -11.883) 12.082 10.841 ( 4.090 -2.103 -13.555) 14.314 13.401 ( -3.369 -27.357 15.037) 31.398 15.008 ( -2.471 5.680 -10.886) 12.525 ======================= Grid point 983 (343/489) ======================= q-point: ( 0.47 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 5.378 9.057 4.688) 11.530 2.341 ( 2.350 9.844 11.092) 15.015 2.814 ( 11.347 17.977 -1.801) 21.335 3.196 ( 2.518 4.894 -6.077) 8.199 3.863 ( 4.408 11.785 -4.853) 13.486 4.585 ( 9.518 24.181 2.327) 26.091 8.382 ( 9.221 19.586 1.664) 21.712 8.780 ( -9.775 -6.293 -0.547) 11.639 10.691 ( 3.353 0.305 -4.734) 5.809 10.805 ( 0.596 -5.164 -13.434) 14.405 13.081 ( -6.844 -27.748 13.111) 31.444 14.957 ( -5.092 3.672 -9.275) 11.200 ======================= Grid point 984 (344/489) ======================= q-point: ( 0.53 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( 6.326 9.602 3.485) 12.015 2.508 ( 2.963 8.268 9.345) 12.824 3.184 ( 7.465 16.171 -2.299) 17.959 3.221 ( 3.951 2.363 -9.637) 10.680 4.026 ( 4.234 7.980 -0.212) 9.036 5.011 ( 11.832 20.333 1.986) 23.609 8.570 ( -4.891 1.761 -0.160) 5.201 8.801 ( 9.311 20.017 1.001) 22.099 10.681 ( -1.645 -8.614 -13.028) 15.704 10.770 ( 4.060 3.201 -0.849) 5.239 12.695 ( -10.568 -26.207 9.461) 29.799 14.864 ( -4.959 0.602 -6.271) 8.017 ======================= Grid point 985 (345/489) ======================= q-point: ( 0.59 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 2.549 11.289 1.259) 11.642 2.674 ( 5.729 5.488 8.958) 11.966 3.160 ( -0.511 -2.113 -12.322) 12.513 3.541 ( 7.248 19.444 -0.923) 20.772 4.160 ( 3.195 4.839 2.415) 6.281 5.379 ( 11.109 12.198 1.323) 16.552 8.573 ( 1.094 7.059 0.410) 7.154 9.169 ( 8.130 19.865 1.584) 21.523 10.511 ( -2.502 -9.979 -10.191) 14.481 10.878 ( 1.911 7.117 -0.367) 7.378 12.267 ( -13.519 -21.021 4.943) 25.477 14.777 ( -1.384 -3.594 -2.666) 4.684 ======================= Grid point 986 (346/489) ======================= q-point: ( 0.65 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( -0.257 10.905 1.708) 11.041 2.837 ( 4.505 2.901 4.719) 7.140 3.098 ( -0.224 -0.092 -11.324) 11.326 3.814 ( 2.972 17.469 -0.005) 17.720 4.243 ( 0.641 3.692 2.715) 4.627 5.640 ( 9.466 3.783 1.153) 10.259 8.742 ( 7.243 10.847 0.842) 13.070 9.454 ( 3.413 15.050 1.342) 15.491 10.360 ( 0.114 -9.651 -7.359) 12.137 10.940 ( -5.595 9.278 1.511) 10.939 11.880 ( -12.453 -10.789 0.246) 16.478 14.737 ( 3.744 -7.847 0.384) 8.703 ======================= Grid point 987 (347/489) ======================= q-point: ( 0.71 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( -4.512 5.330 -2.601) 7.452 2.902 ( 0.798 3.092 1.280) 3.440 3.126 ( 3.463 5.020 -5.502) 8.214 3.987 ( 0.067 11.501 1.858) 11.651 4.272 ( -3.762 6.143 1.329) 7.325 5.790 ( 7.184 -3.092 1.265) 7.922 9.005 ( 9.472 10.173 -0.818) 13.924 9.580 ( -1.758 7.438 1.665) 7.822 10.294 ( 4.518 -8.677 -4.644) 10.828 10.869 ( -14.238 11.957 4.190) 19.058 11.656 ( -7.695 0.628 -3.412) 8.441 14.750 ( 7.879 -10.580 2.163) 13.367 ======================= Grid point 988 (348/489) ======================= q-point: (-0.24 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( -5.537 -0.416 -3.202) 6.410 2.937 ( -4.979 9.141 -0.363) 10.415 3.246 ( 6.476 3.966 -4.465) 8.810 4.062 ( -0.836 3.413 4.360) 5.600 4.239 ( -9.807 10.143 -0.559) 14.120 5.835 ( 3.520 -7.213 1.366) 8.141 9.171 ( 1.618 -0.134 -2.640) 3.100 9.636 ( 1.409 7.858 2.625) 8.404 10.261 ( 2.162 -8.364 -3.391) 9.281 10.816 ( -9.766 19.715 4.749) 22.508 11.555 ( -5.950 3.110 -4.145) 7.890 14.804 ( 9.726 -10.997 2.500) 14.892 ======================= Grid point 989 (349/489) ======================= q-point: (-0.18 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( -6.205 -0.609 -0.913) 6.301 2.899 ( -9.453 8.675 -0.798) 12.855 3.391 ( 8.241 2.386 -6.988) 11.065 4.065 ( -0.939 -2.346 6.678) 7.141 4.123 ( -15.854 11.462 -1.635) 19.632 5.775 ( -2.011 -8.170 1.356) 8.522 9.068 ( -5.782 -7.813 -0.133) 9.721 9.706 ( -6.047 3.771 1.052) 7.204 10.283 ( 9.456 2.364 -5.153) 11.025 10.919 ( -5.407 19.850 3.597) 20.885 11.486 ( -1.287 -0.175 -2.388) 2.718 14.876 ( 9.644 -9.536 1.522) 13.648 ======================= Grid point 999 (350/489) ======================= q-point: ( 0.41 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 0.000 7.941 2.897) 8.453 2.309 ( 0.000 9.183 14.129) 16.851 2.555 ( -0.000 16.142 -3.047) 16.427 3.154 ( -0.000 9.547 -4.467) 10.540 3.778 ( -0.000 16.793 -5.126) 17.558 4.433 ( -0.000 24.603 1.414) 24.643 8.189 ( -0.000 18.685 0.050) 18.685 8.990 ( 0.000 -10.092 -0.370) 10.099 10.702 ( -0.000 0.505 -19.361) 19.368 10.705 ( 0.000 -5.586 -0.006) 5.586 13.194 ( 0.000 -28.727 14.328) 32.102 15.061 ( -0.000 6.238 -10.075) 11.850 ======================= Grid point 1000 (351/489) ======================= q-point: ( 0.47 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 4.315 6.820 1.677) 8.243 2.439 ( 0.781 7.901 12.338) 14.672 2.791 ( 8.960 16.065 -1.664) 18.470 3.199 ( 0.085 3.392 -9.462) 10.052 3.924 ( 1.521 12.444 -2.434) 12.771 4.744 ( 3.634 28.035 2.450) 28.376 8.434 ( 6.619 18.788 -0.249) 19.921 8.849 ( -5.419 -5.270 -4.698) 8.900 10.633 ( 0.738 -1.612 -6.552) 6.788 10.691 ( 2.297 -5.511 -5.500) 8.118 12.918 ( -3.043 -29.526 12.315) 32.135 15.058 ( -3.979 5.362 -8.903) 11.129 ======================= Grid point 1001 (352/489) ======================= q-point: ( 0.53 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 7.504 7.123 1.585) 10.467 2.570 ( 1.978 6.342 10.952) 12.809 3.136 ( 10.343 10.446 -4.479) 15.367 3.188 ( 2.738 5.364 -8.526) 10.439 4.061 ( 1.870 9.414 0.314) 9.603 5.093 ( 5.273 23.790 1.771) 24.432 8.666 ( -3.259 3.553 -3.491) 5.952 8.825 ( 8.970 16.576 -1.734) 18.927 10.577 ( -0.593 -7.860 -8.562) 11.638 10.714 ( 5.002 1.216 0.726) 5.199 12.584 ( -5.506 -28.765 9.499) 30.789 14.976 ( -7.482 3.234 -7.243) 10.904 ======================= Grid point 1002 (353/489) ======================= q-point: ( 0.59 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 8.124 7.268 2.415) 11.165 2.698 ( 2.922 5.262 8.883) 10.731 3.115 ( -0.644 -1.343 -12.048) 12.140 3.547 ( 12.757 16.657 -1.054) 21.007 4.173 ( 2.068 5.716 1.820) 6.345 5.386 ( 4.747 16.062 0.980) 16.777 8.645 ( -1.126 6.906 -2.556) 7.450 9.201 ( 11.020 18.297 0.200) 21.360 10.431 ( -3.023 -9.437 -6.815) 12.027 10.862 ( 7.355 5.631 0.447) 9.274 12.227 ( -7.045 -24.996 6.446) 26.757 14.833 ( -8.242 -0.123 -5.023) 9.653 ======================= Grid point 1003 (354/489) ======================= q-point: ( 0.65 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 3.810 1.180 7.784) 8.746 2.867 ( 4.740 10.301 0.847) 11.371 3.060 ( 0.014 -0.297 -10.424) 10.428 3.878 ( 6.869 13.547 -0.688) 15.205 4.276 ( 3.512 6.013 2.087) 7.270 5.574 ( 3.571 6.757 0.574) 7.664 8.761 ( 4.170 11.289 0.064) 12.035 9.519 ( 6.334 13.695 0.623) 15.102 10.262 ( -2.884 -9.593 -5.492) 11.424 11.056 ( 4.846 9.915 0.334) 11.041 11.908 ( -6.515 -16.820 3.115) 18.305 14.678 ( -5.185 -4.462 -2.439) 7.263 ======================= Grid point 1004 (355/489) ======================= q-point: ( 0.71 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( 1.139 -1.488 1.124) 2.185 2.972 ( -1.025 6.170 0.259) 6.259 3.116 ( 4.417 7.652 -4.650) 9.984 4.015 ( 1.179 1.398 1.491) 2.360 4.445 ( 1.708 16.058 0.366) 16.153 5.654 ( 3.704 -2.774 0.639) 4.672 8.985 ( 6.686 12.344 1.145) 14.085 9.672 ( -0.398 6.104 1.187) 6.231 10.132 ( 1.174 -9.375 -4.629) 10.521 11.184 ( -4.529 12.898 2.771) 13.948 11.720 ( -2.773 -4.824 -1.586) 5.786 14.568 ( 0.848 -8.527 -0.130) 8.570 ======================= Grid point 1005 (356/489) ======================= q-point: ( 0.76 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( -3.530 -0.429 -2.745) 4.493 3.039 ( 2.009 3.803 2.277) 4.867 3.242 ( 0.499 10.205 -4.501) 11.165 4.009 ( 1.424 -6.525 3.403) 7.496 4.592 ( -7.464 20.999 -0.744) 22.298 5.668 ( 5.331 -9.734 0.932) 11.137 9.175 ( 1.528 6.133 0.491) 6.339 9.695 ( -0.380 4.605 2.552) 5.279 10.083 ( 4.882 -9.339 -4.624) 11.508 11.206 ( -9.361 16.517 5.231) 19.693 11.657 ( -3.934 1.559 -4.817) 6.412 14.544 ( 7.045 -10.253 0.910) 12.473 ======================= Grid point 1006 (357/489) ======================= q-point: (-0.18 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( -5.298 0.811 -0.770) 5.415 3.097 ( -1.962 4.568 0.580) 5.006 3.311 ( 0.459 6.958 -6.159) 9.303 3.981 ( 2.873 -8.458 4.753) 10.118 4.576 ( -16.371 17.262 -0.734) 23.802 5.662 ( 5.018 -9.995 1.014) 11.230 9.129 ( -7.140 -2.762 1.395) 7.782 9.789 ( 0.803 4.752 1.424) 5.025 10.100 ( 8.840 -3.744 -4.970) 10.810 11.260 ( -6.664 19.086 5.620) 20.982 11.541 ( -7.784 -1.854 -4.617) 9.238 14.604 ( 10.400 -8.945 0.176) 13.719 ======================= Grid point 1017 (358/489) ======================= q-point: ( 0.47 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -0.000 5.527 0.473) 5.547 2.540 ( 0.000 5.995 12.017) 13.429 2.856 ( -0.000 14.663 -1.221) 14.714 3.185 ( -0.000 0.500 -12.314) 12.325 4.032 ( -0.000 11.879 -0.113) 11.879 5.004 ( -0.000 27.847 2.072) 27.924 8.549 ( -0.000 17.313 -1.541) 17.382 8.830 ( -0.000 -2.893 -9.427) 9.861 10.574 ( -0.000 -4.522 -5.587) 7.188 10.626 ( 0.000 -2.457 1.149) 2.712 12.677 ( 0.000 -30.583 10.217) 32.244 15.127 ( -0.000 5.883 -7.934) 9.877 ======================= Grid point 1018 (359/489) ======================= q-point: ( 0.53 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 5.433 5.189 0.293) 7.518 2.633 ( 0.839 4.196 11.579) 12.344 3.069 ( 7.546 10.976 -2.525) 13.557 3.151 ( 1.849 1.618 -11.153) 11.420 4.144 ( 0.071 9.512 0.915) 9.556 5.285 ( 1.400 24.011 1.317) 24.088 8.728 ( -0.845 5.872 -6.755) 8.990 8.816 ( 6.715 11.477 -5.468) 14.378 10.509 ( -1.239 -5.482 -1.540) 5.827 10.646 ( 3.583 0.210 1.722) 3.981 12.380 ( -2.104 -30.145 7.672) 31.177 15.114 ( -5.424 5.042 -6.867) 10.099 ======================= Grid point 1019 (360/489) ======================= q-point: ( 0.59 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 9.302 5.291 0.508) 10.713 2.723 ( 1.904 2.138 11.136) 11.498 3.082 ( -0.413 0.048 -11.545) 11.552 3.439 ( 15.341 12.620 -0.981) 19.889 4.220 ( -0.419 5.783 1.128) 5.907 5.519 ( 0.668 17.970 0.616) 17.993 8.716 ( -0.998 6.290 -7.048) 9.500 9.149 ( 13.471 14.896 -1.949) 20.178 10.404 ( -4.085 -5.716 -0.625) 7.053 10.763 ( 7.861 2.003 1.497) 8.249 12.070 ( -2.768 -26.695 5.629) 27.422 15.000 ( -10.131 3.098 -5.660) 12.012 ======================= Grid point 1020 (361/489) ======================= q-point: ( 0.65 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 6.133 1.957 4.245) 7.711 2.829 ( 7.045 3.600 5.371) 9.562 3.047 ( -0.907 1.731 -8.850) 9.063 3.831 ( 14.151 12.461 -1.235) 18.896 4.263 ( 1.557 2.270 1.361) 3.071 5.655 ( -1.882 10.573 0.124) 10.739 8.803 ( 3.240 10.311 -3.106) 11.246 9.498 ( 10.718 11.301 -1.555) 15.653 10.257 ( -6.316 -5.186 -0.357) 8.181 10.964 ( 12.249 3.030 -0.214) 12.620 11.812 ( -2.033 -18.867 4.610) 19.528 14.805 ( -12.096 0.310 -4.071) 12.767 ======================= Grid point 1021 (362/489) ======================= q-point: ( 0.71 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( 2.220 -1.925 4.221) 5.143 3.031 ( -0.745 2.402 -4.852) 5.465 3.061 ( 9.466 7.727 1.200) 12.279 4.037 ( -0.739 3.228 -0.886) 3.428 4.440 ( 13.401 8.864 0.940) 16.095 5.661 ( -4.694 2.192 -0.076) 5.181 8.999 ( 6.395 11.808 -0.218) 13.430 9.698 ( 3.999 4.309 -1.489) 6.065 10.089 ( -6.541 -5.382 -0.141) 8.471 11.225 ( 11.924 5.795 -1.711) 13.368 11.670 ( 0.072 -8.237 3.773) 9.060 14.587 ( -9.886 -2.850 -2.071) 10.495 ======================= Grid point 1022 (363/489) ======================= q-point: ( 0.76 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( 0.448 -0.877 0.206) 1.006 3.036 ( 0.143 1.642 -0.298) 1.675 3.293 ( 6.621 9.655 -0.496) 11.718 3.968 ( -3.827 -5.093 0.374) 6.382 4.788 ( 9.611 16.176 0.026) 18.816 5.548 ( -4.632 -7.562 0.107) 8.868 9.207 ( 4.174 7.756 0.523) 8.824 9.751 ( 0.352 2.955 0.190) 2.982 9.945 ( -2.175 -6.862 -1.248) 7.306 11.414 ( 1.728 6.905 0.734) 7.156 11.670 ( 2.664 0.499 -0.205) 2.719 14.424 ( -3.219 -4.998 -0.339) 5.955 ======================= Grid point 1023 (364/489) ======================= q-point: (-0.18 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( -2.592 1.578 -0.330) 3.052 3.068 ( 2.873 -0.544 -0.139) 2.928 3.451 ( -1.554 11.918 -2.711) 12.321 3.855 ( 0.690 -10.154 2.677) 10.524 4.994 ( -10.178 18.322 -0.593) 20.968 5.426 ( 7.225 -14.194 0.681) 15.942 9.237 ( -4.849 -0.297 1.515) 5.088 9.815 ( -0.316 2.024 1.263) 2.406 9.910 ( 7.524 -0.831 -3.403) 8.299 11.449 ( -2.531 1.483 2.307) 3.732 11.690 ( -4.862 5.729 -1.827) 7.732 14.391 ( 4.872 -4.305 -0.169) 6.504 ======================= Grid point 1035 (365/489) ======================= q-point: ( 0.53 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -0.000 4.189 -0.015) 4.189 2.692 ( 0.000 2.004 11.663) 11.834 3.098 ( -0.000 -0.326 -12.310) 12.314 3.109 ( -0.000 11.099 -0.521) 11.112 4.237 ( -0.000 7.985 0.851) 8.030 5.506 ( -0.000 21.128 0.619) 21.137 8.764 ( -0.000 3.060 -12.313) 12.687 8.843 ( -0.000 13.037 -1.988) 13.188 10.489 ( 0.000 -3.101 3.713) 4.838 10.621 ( 0.000 0.916 1.453) 1.718 12.114 ( 0.000 -30.109 5.118) 30.541 15.197 ( -0.000 5.346 -6.156) 8.153 ======================= Grid point 1036 (366/489) ======================= q-point: ( 0.59 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 6.169 3.710 0.100) 7.199 2.743 ( 0.826 -0.283 11.451) 11.485 3.062 ( -0.303 1.560 -10.047) 10.172 3.308 ( 10.782 9.176 -0.590) 14.170 4.296 ( -1.192 5.254 0.293) 5.396 5.694 ( -0.331 16.445 0.018) 16.449 8.765 ( -0.441 6.506 -8.968) 11.088 9.053 ( 10.496 10.963 -2.018) 15.311 10.446 ( -3.620 -1.642 4.155) 5.750 10.673 ( 3.878 0.572 1.312) 4.133 11.836 ( 0.121 -26.830 3.270) 27.029 15.172 ( -6.595 4.451 -5.460) 9.650 ======================= Grid point 1037 (367/489) ======================= q-point: ( 0.65 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 10.005 3.070 0.274) 10.469 2.784 ( 2.007 -2.112 9.321) 9.766 3.061 ( -0.138 3.705 -6.335) 7.340 3.643 ( 17.565 8.269 -0.611) 19.423 4.299 ( -2.460 1.921 -0.224) 3.129 5.808 ( -2.569 10.832 -0.392) 11.140 8.841 ( 2.239 9.728 -4.199) 10.830 9.371 ( 14.020 8.475 -1.999) 16.504 10.361 ( -7.017 0.601 3.247) 7.755 10.759 ( 8.647 -4.390 -0.379) 9.705 11.638 ( 2.266 -17.758 3.209) 18.187 15.029 ( -12.173 2.952 -4.543) 13.324 ======================= Grid point 1038 (368/489) ======================= q-point: ( 0.71 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.765 ( 2.922 -2.420 4.287) 5.724 2.905 ( 11.194 2.234 0.869) 11.448 3.087 ( -0.375 4.849 -1.207) 5.011 4.021 ( 12.873 7.441 -1.915) 14.991 4.280 ( 3.876 -1.030 0.523) 4.044 5.808 ( -6.563 4.977 -0.651) 8.262 9.002 ( 5.150 10.275 -0.620) 11.510 9.621 ( 7.945 3.040 -2.684) 8.920 10.226 ( -10.351 0.399 2.798) 10.730 10.933 ( 18.486 -4.650 -2.718) 19.255 11.582 ( 3.435 -7.003 4.341) 8.927 14.801 ( -14.912 1.444 -3.094) 15.298 ======================= Grid point 1039 (369/489) ======================= q-point: ( 0.76 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( 2.377 -2.735 2.454) 4.376 3.061 ( 1.232 2.863 -2.389) 3.928 3.204 ( 9.810 4.814 3.672) 11.528 4.037 ( -6.974 -1.225 -2.665) 7.566 4.584 ( 22.151 3.893 0.817) 22.506 5.675 ( -11.268 -0.093 -0.720) 11.291 9.179 ( 5.345 4.435 -0.277) 6.951 9.719 ( 3.803 1.951 -2.670) 5.040 10.046 ( -10.601 -0.828 3.459) 11.182 11.252 ( 19.151 0.693 -4.730) 19.739 11.611 ( 3.406 -2.858 5.146) 6.801 14.554 ( -13.180 0.774 -1.216) 13.259 ======================= Grid point 1053 (370/489) ======================= q-point: ( 0.59 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( -0.000 2.766 0.204) 2.774 2.756 ( 0.000 -2.394 10.775) 11.038 3.063 ( -0.000 3.385 -7.178) 7.936 3.287 ( -0.000 6.908 -0.158) 6.910 4.353 ( -0.000 3.606 -0.651) 3.665 5.844 ( -0.000 12.770 -0.537) 12.782 8.817 ( -0.000 8.396 -6.359) 10.532 9.046 ( -0.000 8.343 -0.552) 8.361 10.480 ( 0.000 -1.573 4.675) 4.933 10.660 ( -0.000 1.807 0.202) 1.819 11.577 ( 0.000 -24.308 1.362) 24.347 15.260 ( -0.000 4.193 -5.179) 6.663 ======================= Grid point 1054 (371/489) ======================= q-point: ( 0.65 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 6.432 2.001 0.290) 6.742 2.760 ( 0.646 -3.855 8.966) 9.781 3.091 ( 0.055 5.431 -3.099) 6.253 3.446 ( 11.347 4.873 -0.110) 12.349 4.357 ( -2.062 1.345 -1.533) 2.900 5.937 ( -1.361 8.109 -0.898) 8.271 8.908 ( 0.775 10.994 -0.992) 11.066 9.216 ( 10.523 6.231 -0.077) 12.229 10.467 ( -0.662 -0.236 2.516) 2.612 10.638 ( -2.426 -4.361 -1.697) 5.271 11.415 ( 4.618 -14.943 1.638) 15.726 15.219 ( -7.138 3.231 -4.761) 9.168 ======================= Grid point 1055 (372/489) ======================= q-point: ( 0.71 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 8.380 -0.038 0.594) 8.402 2.772 ( 3.918 -3.217 5.945) 7.813 3.147 ( -0.313 6.434 0.606) 6.470 3.757 ( 19.254 3.355 -0.261) 19.546 4.299 ( -4.052 -1.175 -2.131) 4.726 5.944 ( -4.215 3.270 -1.146) 5.456 9.045 ( 1.719 10.317 3.050) 10.895 9.475 ( 11.867 3.689 -1.204) 12.485 10.430 ( -10.493 1.108 1.571) 10.668 10.575 ( 12.453 -8.462 -3.554) 15.470 11.437 ( 7.038 -5.060 2.807) 9.112 15.058 ( -12.795 2.427 -3.826) 13.574 ======================= Grid point 1056 (373/489) ======================= q-point: (-0.24 -0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 2.449 -4.165 2.639) 5.505 2.932 ( 12.102 -0.086 0.547) 12.115 3.209 ( -0.558 6.500 3.765) 7.532 4.100 ( 6.514 2.148 -3.912) 7.896 4.233 ( 10.483 -4.041 0.754) 11.260 5.846 ( -8.150 -0.492 -1.212) 8.254 9.148 ( 1.135 1.630 2.290) 3.032 9.659 ( 6.418 4.317 -2.259) 8.057 10.234 ( -9.928 -2.113 2.491) 10.452 10.855 ( 22.690 1.198 -3.713) 23.023 11.519 ( 4.986 -3.215 3.644) 6.962 14.825 ( -15.273 2.598 -2.183) 15.645 ======================= Grid point 1071 (374/489) ======================= q-point: ( 0.65 0.65 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 0.000 1.084 0.540) 1.211 2.737 ( 0.000 -4.870 7.864) 9.250 3.150 ( -0.000 7.110 0.469) 7.126 3.381 ( -0.000 2.471 0.059) 2.472 4.376 ( -0.000 -0.214 -2.561) 2.570 6.006 ( -0.000 3.978 -1.237) 4.166 9.028 ( 0.000 13.086 4.768) 13.928 9.175 ( 0.000 4.308 1.749) 4.649 10.404 ( -0.000 -8.236 -3.411) 8.915 10.673 ( -0.000 -0.305 -1.785) 1.811 11.250 ( 0.000 -7.412 2.091) 7.702 15.296 ( -0.000 2.413 -4.889) 5.452 ======================= Grid point 1072 (375/489) ======================= q-point: (-0.29 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 6.158 -0.012 0.442) 6.174 2.712 ( 0.815 -5.444 6.278) 8.350 3.232 ( -0.298 8.330 3.409) 9.005 3.499 ( 11.714 0.339 0.125) 11.719 4.334 ( -2.474 -2.121 -3.430) 4.732 6.005 ( -1.743 -0.578 -1.489) 2.364 9.166 ( -1.302 9.967 8.638) 13.253 9.313 ( 9.919 4.165 2.268) 10.995 10.319 ( 3.644 -10.883 -7.668) 13.803 10.598 ( -5.750 1.102 -0.933) 5.928 11.294 ( 6.253 0.489 2.427) 6.725 15.240 ( -6.904 1.662 -4.563) 8.441 ======================= Grid point 1073 (376/489) ======================= q-point: (-0.24 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 4.283 -3.739 1.107) 5.792 2.734 ( 8.005 -3.519 3.253) 9.329 3.317 ( -1.309 8.626 5.439) 10.281 3.771 ( 19.879 -1.863 -0.001) 19.966 4.230 ( -4.699 -3.796 -4.123) 7.314 5.924 ( -4.109 -4.422 -1.594) 6.243 9.191 ( -3.810 -1.353 5.416) 6.758 9.553 ( 10.395 3.974 1.393) 11.215 10.272 ( 1.876 -5.234 -2.933) 6.287 10.616 ( 6.590 6.319 -1.571) 9.265 11.422 ( 5.323 1.443 2.235) 5.951 15.079 ( -11.785 1.840 -3.442) 12.414 ======================= Grid point 1089 (377/489) ======================= q-point: (-0.29 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 0.000 -0.883 0.663) 1.104 2.665 ( 0.000 -6.388 5.378) 8.350 3.341 ( 0.000 9.817 5.903) 11.454 3.386 ( 0.000 -2.017 0.165) 2.024 4.314 ( -0.000 -3.909 -4.415) 5.897 5.986 ( -0.000 -5.166 -1.732) 5.449 9.231 ( 0.000 -0.527 3.053) 3.098 9.339 ( 0.000 8.509 13.493) 15.952 10.180 ( -0.000 -4.367 -9.542) 10.494 10.626 ( -0.000 -2.686 -2.913) 3.962 11.289 ( 0.000 7.652 2.114) 7.939 15.296 ( -0.000 0.733 -4.970) 5.024 ======================= Grid point 1090 (378/489) ======================= q-point: (-0.24 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 5.195 -2.359 0.335) 5.716 2.621 ( 1.421 -6.951 4.060) 8.174 3.436 ( 3.571 2.963 4.475) 6.446 3.478 ( 7.123 3.001 3.278) 8.396 4.231 ( -2.318 -5.562 -5.356) 8.062 5.895 ( -1.322 -9.423 -1.861) 9.696 9.228 ( -1.253 -5.585 3.150) 6.534 9.425 ( 4.886 -3.557 6.267) 8.706 10.214 ( 3.010 9.996 -2.257) 10.681 10.600 ( 1.470 0.026 -1.696) 2.244 11.410 ( 2.338 9.064 0.750) 9.391 15.233 ( -5.984 0.623 -4.613) 7.582 ======================= Grid point 1107 (379/489) ======================= q-point: (-0.24 -0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 0.000 -3.140 0.431) 3.170 2.546 ( 0.000 -8.246 3.164) 8.832 3.303 ( 0.000 -6.364 0.163) 6.366 3.595 ( 0.000 10.487 9.147) 13.915 4.167 ( -0.000 -7.360 -6.509) 9.825 5.779 ( 0.000 -14.334 -2.003) 14.474 9.168 ( 0.000 -7.975 2.029) 8.230 9.318 ( 0.000 -13.104 0.177) 13.105 10.375 ( 0.000 23.371 7.676) 24.599 10.558 ( -0.000 -1.831 -1.974) 2.693 11.507 ( -0.000 12.785 -1.307) 12.851 15.271 ( -0.000 0.094 -5.177) 5.177 ======================= Grid point 1234 (380/489) ======================= q-point: ( 0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 0.000 -0.000 19.385) 19.385 0.790 ( 0.000 -0.000 19.385) 19.385 1.712 ( 0.000 -0.000 43.876) 43.876 2.040 ( -0.000 0.000 -5.124) 5.124 2.040 ( -0.000 0.000 -5.124) 5.124 4.967 ( -0.000 0.000 -16.834) 16.834 7.298 ( 0.000 -0.000 2.842) 2.842 7.298 ( 0.000 -0.000 2.842) 2.842 11.108 ( -0.000 0.000 -1.579) 1.579 11.108 ( -0.000 0.000 -1.579) 1.579 14.557 ( 0.000 -0.000 1.410) 1.410 14.682 ( -0.000 0.000 -0.785) 0.785 ======================= Grid point 1235 (381/489) ======================= q-point: ( 0.29 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 11.883 6.861 16.012) 21.087 1.234 ( 21.219 12.251 17.186) 29.929 1.953 ( 12.189 7.038 34.586) 37.340 2.058 ( 2.876 1.660 -5.252) 6.214 2.183 ( 12.835 7.410 -4.307) 15.434 4.575 ( -16.257 -9.386 -8.163) 20.470 7.363 ( 4.824 2.785 2.752) 6.213 8.372 ( 63.725 36.792 -21.978) 76.796 10.815 ( -21.163 -12.219 -3.712) 24.717 11.075 ( -2.526 -1.458 -1.582) 3.318 14.455 ( -9.449 -5.456 4.472) 11.792 14.760 ( 6.379 3.683 -5.119) 8.970 ======================= Grid point 1236 (382/489) ======================= q-point: ( 0.35 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 16.638 9.606 11.379) 22.329 1.633 ( 8.852 5.111 22.895) 25.074 2.142 ( 5.881 3.395 -5.282) 8.603 2.509 ( 21.488 12.406 17.718) 30.489 2.578 ( 27.162 15.682 -4.723) 31.718 4.295 ( -6.800 -3.926 -9.406) 12.252 7.534 ( 9.256 5.344 2.412) 10.956 9.336 ( 13.541 7.818 -2.988) 15.918 10.423 ( 1.364 0.788 -24.356) 24.407 10.988 ( -4.447 -2.567 -1.541) 5.361 14.196 ( -14.491 -8.366 10.230) 19.612 14.855 ( 3.131 1.807 -10.322) 10.937 ======================= Grid point 1237 (383/489) ======================= q-point: ( 0.41 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 14.493 8.368 7.928) 18.519 1.873 ( 7.605 4.391 19.800) 21.660 2.303 ( 9.627 5.558 -4.670) 12.057 2.944 ( 16.194 9.350 4.178) 19.161 3.309 ( 30.440 17.575 -1.473) 35.180 4.197 ( 1.570 0.906 -7.356) 7.576 7.798 ( 13.006 7.509 1.887) 15.136 9.096 ( -21.383 -12.346 6.428) 25.514 10.709 ( 19.087 11.020 -28.252) 35.831 10.871 ( -5.098 -2.943 -1.393) 6.049 13.855 ( -18.545 -10.707 13.359) 25.240 14.851 ( 0.137 0.079 -11.152) 11.153 ======================= Grid point 1238 (384/489) ======================= q-point: ( 0.47 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 9.525 5.499 4.171) 11.763 2.125 ( 9.865 5.696 14.759) 18.644 2.556 ( 12.966 7.486 -2.630) 15.201 3.243 ( 8.456 4.882 -1.814) 9.931 3.805 ( 13.331 7.697 -7.799) 17.257 4.440 ( 20.806 12.012 2.073) 24.114 8.132 ( 15.301 8.834 1.195) 17.709 8.673 ( -14.815 -8.554 2.954) 17.361 10.756 ( -4.360 -2.517 -1.027) 5.138 10.933 ( 6.734 3.888 -21.288) 22.664 13.408 ( -23.823 -13.754 11.331) 29.751 14.834 ( 1.383 0.799 -6.851) 7.035 ======================= Grid point 1239 (385/489) ======================= q-point: ( 0.53 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 6.393 3.691 1.466) 7.526 2.407 ( 10.942 6.317 10.708) 16.561 2.851 ( 12.536 7.238 -1.020) 14.511 3.314 ( 0.272 0.157 -10.510) 10.515 4.023 ( 8.362 4.828 -0.862) 9.694 4.988 ( 23.221 13.407 2.871) 26.966 8.469 ( -3.214 -1.856 0.963) 3.834 8.491 ( 15.330 8.851 0.264) 17.704 10.673 ( -2.610 -1.507 -0.307) 3.030 10.921 ( -1.813 -1.047 -16.431) 16.564 12.831 ( -28.274 -16.324 6.627) 33.314 14.884 ( 3.853 2.224 -0.920) 4.543 ======================= Grid point 1240 (386/489) ======================= q-point: ( 0.59 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 4.523 2.611 0.172) 5.225 2.680 ( 10.133 5.851 7.532) 13.916 3.107 ( 9.706 5.604 -0.423) 11.215 3.237 ( -3.042 -1.756 -14.248) 14.675 4.185 ( 5.242 3.026 3.257) 6.873 5.471 ( 17.707 10.223 2.287) 20.574 8.524 ( 7.594 4.384 -0.730) 8.799 8.820 ( 12.967 7.487 -0.936) 15.002 10.635 ( -0.785 -0.453 0.799) 1.209 10.788 ( -5.500 -3.175 -11.429) 13.075 12.182 ( -28.481 -16.443 2.917) 33.016 14.990 ( 4.757 2.746 3.072) 6.293 ======================= Grid point 1241 (387/489) ======================= q-point: ( 0.65 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 2.828 1.633 -0.427) 3.293 2.905 ( 6.945 4.010 4.174) 9.041 3.115 ( -2.585 -1.493 -14.049) 14.363 3.289 ( 6.065 3.501 -0.232) 7.007 4.282 ( 2.191 1.265 4.255) 4.950 5.807 ( 10.874 6.278 1.939) 12.705 8.786 ( 15.114 8.726 -3.734) 17.847 9.070 ( 9.069 5.236 -2.173) 10.695 10.602 ( -9.124 -5.267 -4.371) 11.406 10.633 ( -0.114 -0.066 2.030) 2.034 11.600 ( -20.849 -12.037 0.209) 24.075 15.106 ( 3.970 2.292 4.971) 6.763 ======================= Grid point 1242 (388/489) ======================= q-point: ( 0.71 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 1.053 0.608 -0.672) 1.389 2.889 ( -5.570 -3.216 -7.798) 10.108 3.184 ( 8.842 5.105 -3.427) 10.770 3.383 ( 2.177 1.257 -0.165) 2.519 4.311 ( -0.770 -0.444 4.292) 4.383 5.978 ( 3.355 1.937 1.756) 4.254 9.161 ( 18.190 10.502 -9.220) 22.939 9.220 ( 4.596 2.654 -2.984) 6.089 10.321 ( -14.689 -8.481 5.194) 17.739 10.629 ( -1.040 -0.601 2.875) 3.116 11.293 ( -5.223 -3.015 -2.319) 6.461 15.195 ( 2.306 1.332 5.680) 6.273 ======================= Grid point 1243 (389/489) ======================= q-point: (-0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( -0.807 -0.466 -0.672) 1.149 2.720 ( -6.711 -3.874 -6.613) 10.187 3.387 ( -1.738 -1.004 -0.143) 2.012 3.392 ( 9.950 5.745 -5.175) 12.601 4.271 ( -3.892 -2.247 4.787) 6.566 5.969 ( -4.559 -2.632 1.783) 5.558 9.259 ( -0.541 -0.313 -2.976) 3.041 9.460 ( 5.835 3.369 -12.636) 14.320 10.096 ( -1.100 -0.635 8.535) 8.629 10.599 ( -2.234 -1.290 2.901) 3.882 11.307 ( 5.775 3.334 -1.756) 6.896 15.247 ( 0.760 0.439 5.758) 5.824 ======================= Grid point 1252 (390/489) ======================= q-point: ( 0.29 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 0.000 16.565 14.627) 22.099 1.215 ( 0.000 26.864 15.440) 30.985 2.038 ( -0.000 3.155 -6.060) 6.832 2.050 ( 0.000 10.232 34.480) 35.966 2.163 ( -0.000 13.806 -2.962) 14.120 4.548 ( -0.000 -18.150 -10.020) 20.732 7.371 ( 0.000 5.702 2.725) 6.320 8.296 ( -0.000 69.002 -17.566) 71.203 10.854 ( -0.000 -19.337 -4.890) 19.946 11.062 ( -0.000 -3.407 -1.534) 3.736 14.453 ( 0.000 -12.418 4.573) 13.233 14.741 ( -0.000 6.416 -4.508) 7.842 ======================= Grid point 1253 (391/489) ======================= q-point: ( 0.35 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 4.444 19.913 12.110) 23.726 1.635 ( 8.785 14.660 18.953) 25.521 2.091 ( 3.573 5.353 -6.063) 8.842 2.400 ( 14.231 23.757 9.766) 29.364 2.413 ( 10.888 14.077 9.040) 19.961 4.314 ( -5.104 -8.712 -10.431) 14.517 7.492 ( 4.711 8.609 2.507) 10.129 9.113 ( 23.582 34.588 -10.096) 43.063 10.490 ( -13.771 -10.038 -15.135) 22.792 11.008 ( -1.584 -3.977 -1.826) 4.654 14.273 ( -5.865 -16.033 8.685) 19.154 14.813 ( 2.168 5.167 -8.629) 10.289 ======================= Grid point 1254 (392/489) ======================= q-point: ( 0.41 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 8.496 17.076 9.515) 21.315 1.895 ( 4.118 7.606 19.927) 21.724 2.231 ( 6.382 9.204 -5.419) 12.442 2.792 ( 14.495 12.997 2.754) 19.662 3.040 ( 24.350 25.395 3.700) 35.377 4.171 ( -1.206 -1.318 -9.706) 9.869 7.716 ( 8.606 11.576 2.215) 14.594 9.295 ( -12.822 -13.501 8.415) 20.433 10.452 ( 13.074 16.043 -28.402) 35.142 10.921 ( -3.534 -2.727 -2.676) 5.205 13.997 ( -10.287 -17.951 12.051) 23.943 14.837 ( -0.526 3.040 -11.022) 11.445 ======================= Grid point 1255 (393/489) ======================= q-point: ( 0.47 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 6.552 11.884 5.999) 14.838 2.106 ( 5.757 7.690 16.119) 18.764 2.468 ( 9.228 13.828 -3.335) 16.956 3.129 ( 10.766 7.038 -0.112) 12.863 3.624 ( 16.844 14.610 -5.890) 23.062 4.270 ( 12.483 10.952 -1.520) 16.676 8.024 ( 11.292 14.080 1.869) 18.145 8.864 ( -17.563 -13.139 4.915) 22.478 10.726 ( 8.855 3.493 -14.103) 17.015 10.836 ( -1.731 1.497 -9.209) 9.489 13.622 ( -16.019 -19.647 11.265) 27.740 14.815 ( -0.565 2.169 -8.505) 8.795 ======================= Grid point 1256 (394/489) ======================= q-point: ( 0.53 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 4.042 9.118 2.489) 10.280 2.347 ( 8.055 7.787 12.549) 16.822 2.777 ( 9.419 15.542 -1.184) 18.212 3.264 ( 2.559 0.341 -8.343) 8.733 3.917 ( 9.778 7.267 -3.049) 12.559 4.752 ( 21.907 16.728 2.440) 27.671 8.379 ( 11.629 14.704 1.499) 18.806 8.551 ( -8.533 -4.429 2.724) 9.992 10.713 ( -3.245 -0.861 -0.928) 3.483 10.850 ( 2.610 -0.850 -16.893) 17.114 13.116 ( -22.643 -20.292 6.879) 31.174 14.832 ( 2.754 1.225 -2.732) 4.068 ======================= Grid point 1257 (395/489) ======================= q-point: ( 0.59 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 2.224 8.145 0.718) 8.474 2.602 ( 8.827 6.773 9.468) 14.609 3.069 ( 6.809 14.509 -0.505) 16.035 3.221 ( -1.705 -1.563 -12.967) 13.172 4.120 ( 7.072 4.230 1.778) 8.430 5.271 ( 19.219 12.941 2.082) 23.263 8.475 ( 1.983 1.889 1.933) 3.352 8.741 ( 9.951 15.741 0.455) 18.628 10.650 ( -2.211 -1.489 -2.034) 3.353 10.790 ( -1.901 -1.970 -10.956) 11.293 12.502 ( -26.725 -18.643 2.756) 32.702 14.912 ( 5.830 -0.433 2.001) 6.179 ======================= Grid point 1258 (396/489) ======================= q-point: ( 0.65 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 0.529 7.419 -0.096) 7.438 2.832 ( 7.911 4.840 6.589) 11.376 3.105 ( -3.028 -2.157 -14.106) 14.587 3.303 ( 2.843 13.831 -0.330) 14.124 4.250 ( 4.009 1.226 3.446) 5.426 5.668 ( 13.885 7.878 1.822) 16.068 8.636 ( 10.450 7.040 -0.075) 12.601 9.034 ( 6.324 14.271 -0.628) 15.622 10.589 ( -0.048 -5.074 -4.454) 6.752 10.702 ( -5.428 0.604 -2.320) 5.934 11.886 ( -25.054 -13.197 0.300) 28.319 15.023 ( 6.964 -2.257 4.422) 8.552 ======================= Grid point 1259 (397/489) ======================= q-point: ( 0.71 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( -1.248 6.495 -0.475) 6.631 2.916 ( -3.341 -2.686 -5.772) 7.190 3.084 ( 6.649 4.448 -4.024) 8.954 3.447 ( -1.295 12.232 -0.161) 12.301 4.307 ( 1.458 -1.294 3.787) 4.260 5.912 ( 7.511 2.854 1.700) 8.213 8.942 ( 15.421 9.183 -4.448) 18.491 9.230 ( 1.834 11.464 -1.613) 11.721 10.494 ( -8.777 -2.916 -0.368) 9.256 10.599 ( -1.072 -5.547 2.212) 6.067 11.448 ( -14.908 -2.264 -1.717) 15.176 15.124 ( 6.351 -3.774 5.270) 9.074 ======================= Grid point 1260 (398/489) ======================= q-point: (-0.24 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -3.032 5.185 -0.567) 6.033 2.774 ( -6.000 -2.968 -7.152) 9.796 3.265 ( 9.017 4.761 -3.758) 10.867 3.500 ( -5.524 10.306 -0.149) 11.694 4.299 ( -1.072 -3.382 4.143) 5.455 5.990 ( 0.280 -1.827 1.697) 2.509 9.250 ( 8.968 3.266 -9.167) 13.233 9.338 ( 2.869 10.723 -3.415) 11.613 10.246 ( -13.243 -2.599 8.245) 15.815 10.587 ( 2.667 -3.512 1.325) 4.605 11.316 ( -2.815 5.514 -2.471) 6.666 15.194 ( 4.875 -4.709 5.270) 8.586 ======================= Grid point 1270 (399/489) ======================= q-point: ( 0.35 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 0.000 18.497 10.580) 21.309 1.786 ( 0.000 17.896 17.351) 24.926 2.094 ( -0.000 6.598 -7.117) 9.704 2.502 ( -0.000 19.536 0.639) 19.546 2.586 ( 0.000 28.209 16.264) 32.562 4.235 ( -0.000 -7.505 -11.193) 13.477 7.556 ( 0.000 11.350 2.158) 11.553 9.238 ( -0.000 25.752 -0.887) 25.767 10.473 ( -0.000 -4.804 -23.316) 23.806 10.960 ( -0.000 -5.788 -1.222) 5.915 14.164 ( 0.000 -20.391 10.477) 22.925 14.830 ( -0.000 6.464 -9.241) 11.277 ======================= Grid point 1271 (400/489) ======================= q-point: ( 0.41 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 4.065 16.904 9.157) 19.650 1.998 ( 1.073 10.874 16.852) 20.084 2.206 ( 5.826 10.459 -6.178) 13.473 2.761 ( 6.908 17.271 1.993) 18.708 3.030 ( 11.194 31.242 5.944) 33.715 4.143 ( -0.522 -1.029 -10.107) 10.172 7.733 ( 5.029 14.112 1.866) 15.097 9.339 ( -4.383 -10.650 9.452) 14.898 10.415 ( 1.323 15.226 -28.913) 32.704 10.903 ( 0.198 -5.116 -2.397) 5.653 13.949 ( -4.039 -22.675 12.554) 26.231 14.859 ( -0.711 5.552 -10.817) 12.179 ======================= Grid point 1272 (401/489) ======================= q-point: ( 0.47 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 4.855 11.938 6.408) 14.393 2.171 ( 2.310 9.871 14.139) 17.398 2.457 ( 9.166 16.208 -3.444) 18.936 3.042 ( 8.090 9.869 -0.105) 12.761 3.526 ( 12.412 20.867 -3.373) 24.512 4.208 ( 7.026 11.834 -3.348) 14.164 8.016 ( 8.806 16.989 1.847) 19.224 9.016 ( -14.508 -16.076 4.768) 22.174 10.584 ( 7.902 9.511 -17.233) 21.210 10.844 ( -1.183 -2.927 -5.210) 6.092 13.645 ( -8.565 -24.361 12.139) 28.533 14.846 ( -2.382 4.222 -9.954) 11.072 ======================= Grid point 1273 (402/489) ======================= q-point: ( 0.53 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 4.090 10.450 3.313) 11.701 2.362 ( 4.285 9.088 11.984) 15.639 2.795 ( 9.364 19.321 -1.252) 21.507 3.190 ( 3.691 1.093 -6.757) 7.776 3.833 ( 8.538 10.779 -3.711) 14.243 4.603 ( 16.821 20.277 1.707) 26.401 8.370 ( 10.091 18.648 2.025) 21.300 8.672 ( -10.843 -7.367 2.222) 13.296 10.713 ( 5.120 2.052 -8.430) 10.074 10.765 ( -2.439 -3.144 -7.991) 8.927 13.235 ( -14.432 -24.660 8.483) 29.805 14.819 ( -1.150 2.050 -5.756) 6.218 ======================= Grid point 1274 (403/489) ======================= q-point: ( 0.59 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 2.004 10.956 1.156) 11.198 2.572 ( 6.352 7.461 10.490) 14.354 3.121 ( 5.197 14.719 -2.176) 15.761 3.190 ( 1.643 2.812 -9.709) 10.241 4.051 ( 7.072 6.654 0.564) 9.727 5.098 ( 17.473 16.078 1.583) 23.797 8.501 ( -2.456 0.506 2.615) 3.623 8.766 ( 9.026 20.035 1.534) 22.027 10.646 ( -2.750 -6.101 -8.872) 11.113 10.771 ( 1.380 3.040 -3.935) 5.160 12.717 ( -20.062 -22.274 3.745) 30.210 14.824 ( 2.620 -1.407 -0.776) 3.073 ======================= Grid point 1275 (404/489) ======================= q-point: ( 0.65 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( -0.165 11.064 0.285) 11.069 2.780 ( 6.596 5.292 8.441) 11.948 3.086 ( -1.950 -2.206 -12.967) 13.297 3.427 ( 3.251 19.512 -0.243) 19.782 4.202 ( 4.384 2.610 2.349) 5.617 5.509 ( 14.575 9.466 1.354) 17.432 8.571 ( 5.391 6.430 2.342) 8.712 9.103 ( 6.076 19.207 1.214) 20.182 10.513 ( -1.026 -7.804 -7.493) 10.867 10.798 ( -2.741 5.289 -1.282) 6.093 12.155 ( -22.092 -16.389 0.190) 27.508 14.873 ( 6.306 -5.049 2.586) 8.482 ======================= Grid point 1276 (405/489) ======================= q-point: ( 0.71 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( -2.334 10.500 -0.181) 10.757 2.913 ( 0.547 -1.059 0.543) 1.310 3.026 ( 2.562 3.270 -7.576) 8.640 3.636 ( -1.331 18.982 0.103) 19.028 4.271 ( 1.988 -0.938 2.784) 3.547 5.791 ( 10.271 3.193 1.382) 10.845 8.801 ( 10.747 9.407 0.057) 14.283 9.346 ( 1.265 15.565 0.669) 15.631 10.435 ( 3.094 -6.797 -4.754) 8.853 10.738 ( -10.383 3.215 1.830) 11.023 11.689 ( -16.996 -5.735 -2.132) 18.064 14.948 ( 8.296 -7.769 4.057) 12.068 ======================= Grid point 1277 (406/489) ======================= q-point: ( 0.76 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( -4.413 8.094 -0.593) 9.238 2.828 ( -4.821 -0.499 -6.222) 7.887 3.159 ( 7.154 4.054 -2.107) 8.488 3.755 ( -6.474 18.075 0.194) 19.200 4.275 ( 0.379 -3.977 3.070) 5.038 5.932 ( 4.797 -2.011 1.474) 5.406 9.082 ( 10.988 7.065 -4.820) 13.924 9.465 ( -2.072 11.030 0.985) 11.266 10.441 ( 2.464 -9.396 -0.832) 9.749 10.541 ( -12.357 7.476 3.748) 14.921 11.464 ( -8.287 3.973 -3.052) 9.684 15.021 ( 8.434 -9.173 4.210) 13.153 ======================= Grid point 1288 (407/489) ======================= q-point: ( 0.41 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 0.000 12.652 7.306) 14.610 2.157 ( 0.000 10.659 15.461) 18.779 2.237 ( -0.000 13.137 -6.852) 14.816 2.887 ( -0.000 16.777 1.519) 16.845 3.274 ( -0.000 31.291 2.270) 31.374 4.130 ( -0.000 4.996 -7.775) 9.242 7.841 ( -0.000 15.953 1.034) 15.986 9.284 ( 0.000 -15.831 7.890) 17.688 10.474 ( -0.000 15.012 -27.212) 31.078 10.828 ( 0.000 -6.543 -0.540) 6.565 13.782 ( 0.000 -25.309 13.534) 28.701 14.896 ( -0.000 6.662 -10.933) 12.803 ======================= Grid point 1289 (408/489) ======================= q-point: ( 0.47 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 3.722 8.571 4.173) 10.234 2.294 ( 0.139 10.208 12.009) 15.762 2.452 ( 8.270 16.513 -2.927) 18.699 3.054 ( 2.504 10.112 -1.614) 10.542 3.590 ( 4.471 21.411 -3.337) 22.126 4.253 ( 3.844 18.390 -1.566) 18.852 8.064 ( 5.945 17.839 0.668) 18.815 9.060 ( -7.836 -16.209 1.649) 18.079 10.546 ( 2.037 9.026 -15.843) 18.347 10.782 ( 1.526 -5.324 -2.408) 6.039 13.528 ( -3.730 -27.289 12.910) 30.419 14.911 ( -2.270 6.193 -10.378) 12.297 ======================= Grid point 1290 (409/489) ======================= q-point: ( 0.53 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 5.840 8.066 2.626) 10.298 2.442 ( 1.665 9.352 10.285) 14.001 2.799 ( 11.668 18.390 -1.424) 21.825 3.136 ( 1.562 1.709 -6.607) 7.001 3.828 ( 4.946 13.618 -2.931) 14.782 4.602 ( 9.674 24.809 1.570) 26.675 8.394 ( 9.828 19.326 0.933) 21.701 8.771 ( -9.178 -8.654 -1.452) 12.698 10.619 ( 3.694 1.927 -9.070) 9.982 10.740 ( 0.143 -3.998 -2.592) 4.767 13.187 ( -7.827 -28.146 10.131) 30.921 14.878 ( -4.137 4.221 -8.029) 9.970 ======================= Grid point 1291 (410/489) ======================= q-point: ( 0.59 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 5.805 9.447 1.573) 11.199 2.598 ( 3.052 7.825 9.554) 12.721 3.117 ( -0.131 -1.745 -9.634) 9.791 3.184 ( 10.970 18.899 -1.003) 21.875 4.026 ( 5.061 9.296 0.026) 10.584 5.025 ( 11.704 20.132 1.229) 23.319 8.569 ( -4.062 0.128 -0.075) 4.065 8.809 ( 10.204 20.119 0.753) 22.572 10.581 ( -1.506 -7.258 -8.547) 11.314 10.766 ( 3.306 3.780 -0.336) 5.033 12.765 ( -12.133 -26.414 5.969) 29.674 14.815 ( -3.284 0.569 -4.252) 5.402 ======================= Grid point 1292 (411/489) ======================= q-point: ( 0.65 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 2.674 11.372 0.400) 11.689 2.759 ( 4.720 5.009 9.359) 11.618 3.051 ( -0.964 -2.261 -11.329) 11.593 3.536 ( 7.470 19.427 -0.370) 20.817 4.177 ( 3.642 5.266 1.440) 6.563 5.389 ( 11.151 12.003 0.792) 16.403 8.581 ( 1.946 6.370 1.469) 6.821 9.183 ( 8.337 19.701 1.357) 21.435 10.434 ( -2.457 -9.159 -6.695) 11.608 10.875 ( 1.909 7.850 -0.400) 8.088 12.298 ( -15.265 -20.969 1.792) 25.999 14.763 ( 0.394 -4.201 -0.514) 4.250 ======================= Grid point 1293 (412/489) ======================= q-point: ( 0.71 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( -1.078 11.501 -0.243) 11.554 2.889 ( 2.499 0.006 6.075) 6.569 3.000 ( 1.132 2.402 -9.670) 10.028 3.816 ( 3.316 17.852 0.425) 18.162 4.262 ( 0.777 3.293 1.435) 3.675 5.649 ( 9.659 3.649 0.799) 10.356 8.755 ( 6.934 10.487 1.899) 12.715 9.467 ( 3.383 15.026 1.616) 15.487 10.302 ( 0.595 -9.054 -5.164) 10.440 10.952 ( -4.706 10.250 1.084) 11.330 11.873 ( -14.010 -11.130 -1.797) 17.982 14.747 ( 5.032 -8.640 1.975) 10.191 ======================= Grid point 1294 (413/489) ======================= q-point: ( 0.76 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( -4.166 2.427 -3.664) 6.056 2.909 ( -2.103 7.145 0.143) 7.449 3.091 ( 4.711 4.334 -2.158) 6.755 4.004 ( 0.097 13.335 1.870) 13.466 4.280 ( -3.383 4.320 0.497) 5.509 5.800 ( 7.376 -3.176 1.021) 8.095 9.000 ( 7.764 10.190 -0.169) 12.812 9.598 ( -1.508 7.962 2.329) 8.432 10.256 ( 5.302 -8.784 -3.762) 10.928 10.904 ( -13.673 12.803 3.536) 19.062 11.621 ( -8.014 0.021 -4.156) 9.028 14.773 ( 8.518 -11.380 2.821) 14.492 ======================= Grid point 1306 (414/489) ======================= q-point: ( 0.47 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 0.000 6.558 1.648) 6.762 2.426 ( 0.000 8.580 11.084) 14.017 2.530 ( -0.000 17.332 -2.494) 17.510 3.108 ( -0.000 5.388 -5.055) 7.388 3.740 ( -0.000 17.424 -3.270) 17.728 4.445 ( -0.000 26.672 1.181) 26.698 8.187 ( -0.000 18.101 -0.494) 18.108 8.971 ( -0.000 -13.832 -3.858) 14.360 10.562 ( -0.000 4.737 -11.021) 11.996 10.707 ( 0.000 -5.213 0.471) 5.234 13.316 ( 0.000 -29.427 12.267) 31.882 14.969 ( -0.000 7.040 -9.912) 12.158 ======================= Grid point 1307 (415/489) ======================= q-point: ( 0.53 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 4.667 6.159 0.765) 7.766 2.540 ( 0.507 8.070 9.201) 12.249 2.778 ( 9.085 16.432 -1.184) 18.814 3.117 ( 0.028 0.401 -7.920) 7.930 3.907 ( 1.636 14.281 -1.416) 14.444 4.762 ( 3.583 28.091 1.658) 28.367 8.429 ( 7.104 18.262 -0.799) 19.611 8.794 ( -4.498 -7.933 -7.136) 11.580 10.572 ( 0.860 0.005 -4.468) 4.550 10.678 ( 1.497 -3.529 0.296) 3.845 13.020 ( -3.392 -30.641 10.082) 32.435 14.977 ( -3.688 6.211 -8.600) 11.231 ======================= Grid point 1308 (416/489) ======================= q-point: ( 0.59 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 7.930 6.723 0.853) 10.431 2.663 ( 1.689 7.022 8.694) 11.303 3.066 ( 1.212 -0.719 -8.264) 8.384 3.150 ( 11.795 15.083 -1.605) 19.214 4.062 ( 2.157 10.393 0.019) 10.614 5.105 ( 5.142 23.517 1.013) 24.093 8.626 ( -2.806 0.678 -5.041) 5.809 8.810 ( 11.179 17.487 -1.598) 20.817 10.525 ( -1.937 -5.953 -2.816) 6.865 10.723 ( 4.706 1.811 1.075) 5.156 12.660 ( -6.176 -29.675 7.099) 31.131 14.913 ( -6.711 3.719 -6.424) 10.007 ======================= Grid point 1309 (417/489) ======================= q-point: ( 0.65 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 8.570 7.694 0.857) 11.548 2.785 ( 2.097 5.183 9.097) 10.678 3.012 ( -0.759 -1.741 -9.789) 9.971 3.539 ( 12.798 16.508 -0.667) 20.898 4.184 ( 2.438 6.056 0.706) 6.566 5.392 ( 4.689 15.843 0.413) 16.527 8.621 ( 0.884 6.176 -2.622) 6.767 9.200 ( 11.771 17.783 -0.395) 21.330 10.390 ( -4.231 -7.894 -2.164) 9.214 10.867 ( 6.895 5.756 0.469) 8.994 12.276 ( -8.110 -25.198 4.055) 26.779 14.793 ( -6.998 -0.211 -3.647) 7.894 ======================= Grid point 1310 (418/489) ======================= q-point: ( 0.71 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( 4.409 3.831 2.684) 6.428 2.892 ( 2.107 6.363 6.279) 9.185 2.969 ( 0.937 1.447 -9.557) 9.711 3.873 ( 7.440 13.445 -0.246) 15.368 4.288 ( 3.432 5.935 0.703) 6.892 5.577 ( 3.692 6.592 0.198) 7.558 8.762 ( 5.457 10.896 0.027) 12.186 9.523 ( 7.013 13.110 0.219) 14.870 10.228 ( -3.905 -8.384 -1.893) 9.441 11.058 ( 5.355 9.773 0.123) 11.145 11.927 ( -8.321 -16.345 1.056) 18.371 14.663 ( -3.795 -4.983 -0.857) 6.321 ======================= Grid point 1311 (419/489) ======================= q-point: ( 0.76 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( -2.098 -0.907 -2.559) 3.431 2.990 ( 1.310 4.147 3.551) 5.614 3.082 ( 3.841 9.743 -3.007) 10.896 4.027 ( 2.256 1.412 1.211) 2.924 4.446 ( 1.250 15.806 -0.283) 15.858 5.659 ( 3.974 -2.899 0.381) 4.934 8.994 ( 6.770 12.139 0.749) 13.920 9.684 ( 0.497 5.836 1.469) 6.039 10.099 ( 0.285 -8.815 -2.403) 9.142 11.207 ( -2.749 13.132 2.299) 13.612 11.700 ( -5.110 -4.609 -2.834) 7.443 14.573 ( 1.824 -9.199 1.050) 9.437 ======================= Grid point 1324 (420/489) ======================= q-point: ( 0.53 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -0.000 5.301 -0.070) 5.301 2.637 ( 0.000 6.663 8.351) 10.683 2.847 ( -0.000 14.994 -0.874) 15.020 3.085 ( -0.000 -1.499 -8.609) 8.739 4.030 ( -0.000 12.990 -0.221) 12.992 5.019 ( -0.000 27.504 1.184) 27.529 8.534 ( -0.000 16.922 -1.678) 17.005 8.735 ( -0.000 -4.810 -10.991) 11.997 10.554 ( 0.000 -1.613 1.043) 1.921 10.637 ( 0.000 -2.190 1.291) 2.542 12.762 ( 0.000 -32.180 8.331) 33.241 15.054 ( -0.000 6.812 -8.047) 10.543 ======================= Grid point 1325 (421/489) ======================= q-point: ( 0.59 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 5.639 5.100 0.021) 7.603 2.729 ( 0.866 5.489 8.441) 10.106 3.023 ( 0.859 1.029 -6.327) 6.467 3.089 ( 8.540 10.503 -2.610) 13.786 4.148 ( 0.107 9.892 0.052) 9.892 5.294 ( 1.385 23.635 0.479) 23.680 8.651 ( -1.570 1.619 -9.320) 9.589 8.781 ( 9.065 14.862 -2.709) 17.618 10.517 ( -2.554 -3.698 2.982) 5.394 10.663 ( 3.689 0.455 1.886) 4.168 12.443 ( -2.145 -31.689 6.016) 32.326 15.051 ( -5.195 5.793 -6.918) 10.412 ======================= Grid point 1326 (422/489) ======================= q-point: ( 0.65 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 9.557 5.181 0.297) 10.875 2.824 ( 1.629 3.078 10.442) 11.007 2.985 ( -0.519 -0.178 -8.963) 8.980 3.431 ( 15.326 12.686 -0.662) 19.906 4.225 ( -0.211 5.766 -0.121) 5.771 5.522 ( 0.677 17.687 -0.061) 17.700 8.654 ( 0.820 6.468 -6.398) 9.135 9.132 ( 13.852 14.661 -1.847) 20.254 10.414 ( -5.419 -4.445 2.820) 7.555 10.776 ( 7.369 1.735 1.334) 7.687 12.115 ( -2.750 -27.600 4.225) 28.057 14.949 ( -9.578 3.513 -5.321) 11.507 ======================= Grid point 1327 (423/489) ======================= q-point: ( 0.71 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( 9.436 3.940 1.409) 10.322 2.893 ( 2.160 -0.973 7.255) 7.632 2.975 ( 0.008 5.144 -6.209) 8.063 3.822 ( 13.959 12.176 -0.859) 18.543 4.269 ( 2.022 2.285 -0.067) 3.052 5.654 ( -1.815 10.359 -0.357) 10.523 8.776 ( 4.745 10.744 -2.724) 12.056 9.483 ( 11.122 10.723 -1.700) 15.543 10.267 ( -7.435 -4.125 2.566) 8.882 10.960 ( 11.706 2.146 -0.632) 11.917 11.848 ( -2.237 -18.617 3.431) 19.062 14.772 ( -11.194 0.379 -3.257) 11.665 ======================= Grid point 1342 (424/489) ======================= q-point: ( 0.59 0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -0.000 4.280 -0.081) 4.281 2.793 ( 0.000 3.552 9.525) 10.166 3.001 ( -0.000 -0.970 -7.895) 7.955 3.106 ( -0.000 11.234 -0.314) 11.239 4.239 ( -0.000 7.887 -0.379) 7.896 5.508 ( -0.000 20.775 -0.207) 20.776 8.660 ( -0.000 3.939 -10.245) 10.976 8.827 ( -0.000 13.257 -1.422) 13.333 10.536 ( 0.000 -2.314 6.417) 6.821 10.633 ( 0.000 0.701 0.992) 1.215 12.155 ( 0.000 -31.780 3.932) 32.022 15.139 ( -0.000 6.054 -6.585) 8.945 ======================= Grid point 1343 (425/489) ======================= q-point: ( 0.65 0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 6.209 3.783 0.136) 7.272 2.853 ( 0.714 -0.429 12.428) 12.456 2.977 ( -0.252 2.867 -8.521) 8.994 3.304 ( 10.674 9.365 -0.309) 14.203 4.292 ( -1.115 4.938 -1.075) 5.175 5.691 ( -0.280 16.184 -0.688) 16.201 8.694 ( 0.446 8.394 -6.436) 10.587 9.038 ( 10.162 11.417 -1.117) 15.326 10.489 ( -4.473 -1.593 5.278) 7.099 10.683 ( 3.991 -0.319 0.859) 4.095 11.863 ( 0.489 -27.987 2.538) 28.106 15.120 ( -6.379 4.981 -5.835) 9.977 ======================= Grid point 1344 (426/489) ======================= q-point: (-0.29 -0.41 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 10.224 3.112 0.269) 10.691 2.869 ( 0.561 -4.017 8.814) 9.703 3.013 ( 0.578 6.703 -3.538) 7.601 3.639 ( 17.318 8.340 -0.376) 19.226 4.291 ( -2.131 1.553 -1.560) 3.064 5.802 ( -2.489 10.628 -0.940) 10.955 8.811 ( 2.827 11.883 -2.190) 12.410 9.355 ( 13.526 8.643 -1.395) 16.112 10.394 ( -7.466 0.322 4.063) 8.506 10.752 ( 8.314 -5.800 -1.153) 10.202 11.666 ( 2.962 -17.967 2.911) 18.440 14.987 ( -11.656 3.307 -4.595) 12.958 ======================= Grid point 1360 (427/489) ======================= q-point: (-0.35 -0.35 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( -0.000 2.908 0.326) 2.926 2.861 ( 0.000 -4.225 11.972) 12.696 3.005 ( -0.000 6.626 -5.492) 8.606 3.287 ( -0.000 6.981 -0.025) 6.981 4.340 ( -0.000 3.190 -2.022) 3.777 5.836 ( -0.000 12.599 -1.146) 12.651 8.775 ( -0.000 11.703 -2.784) 12.030 9.045 ( -0.000 9.066 0.437) 9.077 10.521 ( 0.000 -3.726 4.465) 5.815 10.658 ( -0.000 1.173 -0.642) 1.337 11.589 ( 0.000 -24.902 1.185) 24.931 15.209 ( -0.000 4.626 -5.830) 7.443 ======================= Grid point 1361 (428/489) ======================= q-point: (-0.29 -0.35 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 6.343 2.070 0.423) 6.686 2.844 ( 0.118 -5.367 9.165) 10.622 3.072 ( 0.240 8.118 -0.866) 8.168 3.446 ( 11.278 4.960 0.026) 12.321 4.337 ( -1.962 0.911 -2.762) 3.508 5.926 ( -1.325 7.979 -1.377) 8.205 8.913 ( 0.669 14.656 1.990) 14.806 9.219 ( 9.798 6.854 0.795) 11.984 10.485 ( 0.502 -3.774 1.497) 4.090 10.620 ( -3.383 -4.707 -2.264) 6.223 11.431 ( 5.106 -14.661 1.873) 15.637 15.173 ( -6.850 3.559 -5.343) 9.388 ======================= Grid point 1378 (429/489) ======================= q-point: (-0.29 -0.29 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 0.000 1.157 0.651) 1.327 2.813 ( 0.000 -6.237 8.571) 10.600 3.160 ( 0.000 9.407 1.837) 9.584 3.382 ( -0.000 2.509 0.120) 2.512 4.348 ( -0.000 -0.648 -3.587) 3.646 5.993 ( -0.000 3.887 -1.592) 4.201 9.085 ( 0.000 17.335 7.465) 18.874 9.194 ( 0.000 4.920 2.511) 5.524 10.367 ( -0.000 -12.634 -4.674) 13.471 10.654 ( -0.000 -0.836 -2.472) 2.609 11.271 ( 0.000 -6.624 2.429) 7.055 15.247 ( -0.000 2.651 -5.635) 6.228 ======================= Grid point 1541 (430/489) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 0.000 -0.000 17.360) 17.360 0.957 ( 0.000 -0.000 17.360) 17.360 1.989 ( -0.000 0.000 -6.016) 6.016 1.989 ( -0.000 0.000 -6.016) 6.016 2.098 ( 0.000 -0.000 40.598) 40.598 4.800 ( -0.000 0.000 -19.445) 19.445 7.324 ( 0.000 -0.000 2.768) 2.768 7.324 ( 0.000 -0.000 2.768) 2.768 11.093 ( -0.000 0.000 -1.546) 1.546 11.093 ( -0.000 0.000 -1.546) 1.546 14.570 ( 0.000 -0.000 1.577) 1.577 14.674 ( -0.000 0.000 -0.975) 0.975 ======================= Grid point 1542 (431/489) ======================= q-point: ( 0.35 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 10.241 5.912 15.463) 19.467 1.380 ( 22.727 13.121 14.961) 30.207 2.006 ( 2.949 1.703 -6.012) 6.910 2.102 ( 11.413 6.590 -4.772) 14.017 2.300 ( 8.233 4.753 32.505) 33.867 4.477 ( -14.505 -8.374 -13.167) 21.304 7.387 ( 4.743 2.739 2.552) 6.043 8.216 ( 58.685 33.882 -12.923) 68.985 10.786 ( -23.447 -13.537 -2.575) 27.197 11.061 ( -2.527 -1.459 -1.540) 3.299 14.494 ( -7.352 -4.245 4.095) 9.426 14.718 ( 3.825 2.208 -4.395) 6.231 ======================= Grid point 1543 (432/489) ======================= q-point: ( 0.41 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 15.170 8.759 12.118) 21.300 1.829 ( 9.994 5.770 19.983) 23.076 2.090 ( 6.025 3.478 -6.070) 9.232 2.507 ( 23.367 13.491 -7.677) 28.053 2.697 ( 20.209 11.668 19.938) 30.693 4.197 ( -6.465 -3.733 -11.842) 13.998 7.555 ( 9.120 5.265 2.197) 10.757 9.311 ( 27.107 15.650 -2.297) 31.385 10.235 ( -11.733 -6.774 -16.905) 21.664 10.974 ( -4.427 -2.556 -1.519) 5.333 14.283 ( -12.554 -7.248 8.731) 16.922 14.766 ( 1.728 0.997 -9.255) 9.468 ======================= Grid point 1544 (433/489) ======================= q-point: ( 0.47 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 12.861 7.425 8.810) 17.267 2.050 ( 6.082 3.511 18.738) 20.011 2.257 ( 10.382 5.994 -5.239) 13.083 2.962 ( 16.294 9.407 -0.224) 18.816 3.305 ( 25.720 14.849 0.813) 29.710 4.129 ( 4.775 2.757 -7.366) 9.201 7.815 ( 12.820 7.401 1.823) 14.915 9.165 ( -23.298 -13.451 8.745) 28.287 10.469 ( 21.795 12.583 -24.096) 34.842 10.858 ( -5.020 -2.898 -1.452) 5.976 13.960 ( -18.316 -10.574 9.559) 23.209 14.760 ( 0.959 0.554 -8.667) 8.738 ======================= Grid point 1545 (434/489) ======================= q-point: ( 0.53 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 7.999 4.618 4.204) 10.148 2.263 ( 8.149 4.705 15.043) 17.743 2.533 ( 13.898 8.024 -2.306) 16.213 3.211 ( 5.344 3.086 -5.382) 8.188 3.747 ( 14.321 8.268 -4.817) 17.224 4.455 ( 22.582 13.038 1.140) 26.101 8.144 ( 15.020 8.672 1.424) 17.401 8.712 ( -16.038 -9.260 5.675) 19.369 10.746 ( -4.161 -2.402 -1.242) 4.962 10.754 ( 8.266 4.773 -17.761) 20.163 13.486 ( -24.867 -14.357 5.669) 29.268 14.789 ( 3.355 1.937 -2.852) 4.811 ======================= Grid point 1546 (435/489) ======================= q-point: ( 0.59 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 5.671 3.274 1.390) 6.694 2.509 ( 9.448 5.455 11.486) 15.841 2.843 ( 12.854 7.421 -0.643) 14.857 3.212 ( -1.552 -0.896 -11.617) 11.755 4.020 ( 10.260 5.924 0.119) 11.848 5.010 ( 23.182 13.384 1.916) 26.837 8.494 ( -4.195 -2.422 4.613) 6.689 8.496 ( 14.887 8.595 0.831) 17.210 10.668 ( -2.225 -1.285 -0.730) 2.671 10.782 ( -0.518 -0.299 -14.006) 14.019 12.869 ( -29.117 -16.811 1.753) 33.667 14.891 ( 5.246 3.029 2.434) 6.528 ======================= Grid point 1547 (436/489) ======================= q-point: ( 0.65 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 4.189 2.419 0.169) 4.840 2.752 ( 8.835 5.101 8.181) 13.077 3.105 ( 9.778 5.645 -0.197) 11.292 3.109 ( -3.623 -2.092 -13.655) 14.281 4.212 ( 6.019 3.475 2.505) 7.388 5.489 ( 17.667 10.200 1.732) 20.473 8.535 ( 6.186 3.572 3.095) 7.785 8.815 ( 12.374 7.144 -0.133) 14.289 10.640 ( -0.233 -0.135 0.203) 0.338 10.689 ( -3.650 -2.107 -10.171) 11.010 12.195 ( -28.828 -16.644 -0.000) 33.288 15.028 ( 5.351 3.089 5.042) 7.975 ======================= Grid point 1548 (437/489) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 2.669 1.541 -0.403) 3.108 2.938 ( 0.856 0.494 1.089) 1.470 2.997 ( 2.451 1.415 -9.725) 10.128 3.287 ( 6.074 3.507 -0.111) 7.014 4.316 ( 2.443 1.410 3.252) 4.305 5.824 ( 10.845 6.262 1.631) 12.629 8.766 ( 12.841 7.414 -0.685) 14.843 9.054 ( 8.489 4.901 -1.381) 9.900 10.562 ( -5.884 -3.397 -4.412) 8.100 10.648 ( 0.436 0.252 1.414) 1.501 11.598 ( -21.519 -12.424 -0.677) 24.857 15.155 ( 4.129 2.384 5.787) 7.498 ======================= Grid point 1559 (438/489) ======================= q-point: ( 0.35 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 0.000 14.869 12.845) 19.649 1.353 ( 0.000 26.385 14.774) 30.240 1.979 ( -0.000 2.947 -6.740) 7.356 2.095 ( -0.000 13.898 -6.328) 15.271 2.389 ( 0.000 6.211 33.932) 34.496 4.435 ( -0.000 -15.964 -14.247) 21.397 7.395 ( 0.000 5.594 2.410) 6.091 8.172 ( -0.000 64.397 -10.101) 65.185 10.816 ( 0.000 -23.217 -3.722) 23.514 11.049 ( -0.000 -3.358 -1.297) 3.600 14.493 ( 0.000 -9.817 4.276) 10.708 14.703 ( -0.000 3.842 -3.961) 5.518 ======================= Grid point 1560 (439/489) ======================= q-point: ( 0.41 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 4.365 18.322 11.662) 22.153 1.795 ( 10.980 16.086 16.397) 25.459 2.032 ( 3.923 5.074 -6.854) 9.387 2.339 ( 11.618 20.680 -8.141) 25.078 2.640 ( 8.830 12.262 24.957) 29.175 4.206 ( -4.834 -8.237 -12.864) 16.021 7.513 ( 4.693 8.501 2.091) 9.933 9.034 ( 27.401 43.310 -7.098) 51.739 10.376 ( -17.463 -20.071 -10.081) 28.451 10.993 ( -1.753 -4.143 -1.422) 4.718 14.348 ( -4.963 -13.679 7.724) 16.474 14.739 ( 0.929 3.389 -7.671) 8.438 ======================= Grid point 1561 (440/489) ======================= q-point: ( 0.47 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 7.715 15.758 9.932) 20.162 2.062 ( 4.456 6.022 15.775) 17.463 2.181 ( 6.808 9.887 -4.948) 12.983 2.786 ( 16.422 16.029 -3.383) 23.196 3.098 ( 18.655 19.288 8.319) 28.094 4.080 ( 0.375 0.356 -9.920) 9.933 7.734 ( 8.550 11.551 1.831) 14.487 9.385 ( -13.495 -14.455 11.218) 22.736 10.207 ( 14.836 18.040 -25.129) 34.308 10.902 ( -3.621 -3.555 -1.732) 5.362 14.095 ( -10.179 -16.846 9.288) 21.764 14.745 ( -0.365 2.741 -9.026) 9.440 ======================= Grid point 1562 (441/489) ======================= q-point: ( 0.53 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 5.128 10.385 5.529) 12.834 2.246 ( 5.392 6.094 14.273) 16.430 2.440 ( 10.008 14.925 -2.649) 18.164 3.113 ( 8.783 5.552 -3.294) 10.900 3.580 ( 14.979 13.146 -3.682) 20.267 4.256 ( 15.532 13.571 -1.351) 20.669 8.041 ( 11.148 14.153 1.682) 18.094 8.917 ( -18.362 -14.787 6.455) 24.444 10.575 ( 12.839 9.000 -16.112) 22.482 10.796 ( -4.256 -2.310 -2.210) 5.323 13.702 ( -17.360 -19.431 6.089) 26.759 14.754 ( 1.483 2.555 -4.661) 5.518 ======================= Grid point 1563 (442/489) ======================= q-point: ( 0.59 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 3.236 8.438 2.010) 9.258 2.461 ( 7.259 6.650 12.013) 15.531 2.769 ( 9.741 15.996 -0.594) 18.738 3.181 ( 0.416 -1.017 -9.518) 9.581 3.898 ( 11.477 8.512 -1.143) 14.335 4.769 ( 22.140 16.817 1.320) 27.834 8.393 ( 11.448 15.095 1.591) 19.012 8.589 ( -8.916 -5.744 5.552) 11.972 10.701 ( -3.180 -1.998 -4.064) 5.533 10.715 ( 3.355 1.446 -10.269) 10.900 13.154 ( -24.038 -20.237 1.612) 31.463 14.825 ( 4.854 1.337 1.060) 5.145 ======================= Grid point 1564 (443/489) ======================= q-point: ( 0.65 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 1.838 7.900 0.527) 8.127 2.689 ( 7.755 6.040 9.303) 13.534 3.062 ( 5.546 11.623 -1.925) 13.022 3.110 ( -1.342 1.016 -10.101) 10.241 4.135 ( 7.976 4.776 1.401) 9.402 5.286 ( 19.299 12.861 1.293) 23.227 8.508 ( 1.306 1.057 5.327) 5.586 8.748 ( 9.365 15.799 1.110) 18.400 10.616 ( -1.318 -4.403 -5.634) 7.271 10.714 ( -1.465 2.185 -5.470) 6.070 12.510 ( -27.282 -18.644 -0.869) 33.055 14.942 ( 7.017 -0.655 4.416) 8.317 ======================= Grid point 1565 (444/489) ======================= q-point: ( 0.71 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 0.309 7.353 -0.133) 7.360 2.895 ( 6.899 4.534 6.821) 10.709 2.980 ( -3.620 -2.368 -12.851) 13.560 3.302 ( 2.882 13.896 0.022) 14.191 4.277 ( 4.452 1.383 2.342) 5.217 5.682 ( 13.973 7.828 1.322) 16.070 8.650 ( 8.701 6.023 3.226) 11.063 9.032 ( 5.512 14.404 0.238) 15.425 10.540 ( 0.535 -5.415 -5.731) 7.902 10.690 ( -3.527 2.621 -0.807) 4.468 11.881 ( -25.101 -13.542 -1.378) 28.554 15.068 ( 7.449 -2.607 5.501) 9.620 ======================= Grid point 1577 (445/489) ======================= q-point: ( 0.41 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 0.000 17.740 9.367) 20.061 1.935 ( 0.000 18.717 15.439) 24.263 2.025 ( -0.000 6.217 -7.787) 9.964 2.453 ( -0.000 25.347 -7.278) 26.371 2.779 ( 0.000 16.944 21.566) 27.426 4.125 ( -0.000 -6.665 -12.493) 14.160 7.574 ( -0.000 11.082 1.619) 11.200 9.238 ( -0.000 37.835 0.645) 37.840 10.286 ( -0.000 -17.646 -17.754) 25.032 10.950 ( 0.000 -5.656 -0.797) 5.712 14.255 ( 0.000 -17.944 9.408) 20.260 14.750 ( -0.000 4.658 -8.242) 9.468 ======================= Grid point 1578 (446/489) ======================= q-point: ( 0.47 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 3.964 15.593 8.918) 18.395 2.105 ( 3.060 9.478 0.486) 9.971 2.176 ( 4.841 11.334 5.565) 13.523 2.752 ( 7.467 20.994 -3.054) 22.490 3.106 ( 8.321 23.085 9.510) 26.317 4.051 ( 0.277 1.289 -9.592) 9.682 7.748 ( 5.204 13.838 1.244) 14.836 9.435 ( -5.046 -12.413 11.569) 17.703 10.165 ( 3.532 17.602 -25.528) 31.209 10.887 ( -0.540 -5.477 -1.131) 5.618 14.054 ( -4.256 -21.243 10.515) 24.082 14.766 ( -0.786 4.827 -9.315) 10.521 ======================= Grid point 1579 (447/489) ======================= q-point: ( 0.53 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 4.203 10.006 4.803) 11.868 2.283 ( 3.326 9.281 9.478) 13.676 2.432 ( 9.354 16.742 -1.543) 19.240 3.032 ( 6.948 8.624 -1.934) 11.242 3.502 ( 10.328 17.877 -1.818) 20.726 4.182 ( 9.141 15.432 -2.354) 18.090 8.030 ( 9.056 16.837 1.209) 19.157 9.057 ( -14.879 -19.033 4.044) 24.495 10.440 ( 9.797 13.626 -13.243) 21.378 10.815 ( -1.871 -4.028 -1.890) 4.827 13.739 ( -9.826 -23.813 8.255) 27.051 14.767 ( -1.075 4.237 -7.135) 8.367 ======================= Grid point 1580 (448/489) ======================= q-point: ( 0.59 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 3.446 9.797 1.917) 10.560 2.463 ( 4.701 8.013 9.603) 13.361 2.787 ( 9.774 19.646 -0.588) 21.951 3.126 ( 1.689 -0.575 -6.679) 6.913 3.809 ( 9.547 11.922 -1.588) 15.356 4.614 ( 17.102 20.683 0.784) 26.850 8.386 ( 10.356 18.772 1.453) 21.488 8.697 ( -10.080 -9.240 3.122) 14.026 10.615 ( 4.717 2.301 -9.559) 10.905 10.738 ( -2.240 -1.676 -1.182) 3.037 13.290 ( -16.360 -24.243 3.573) 29.465 14.782 ( 1.135 1.796 -2.155) 3.026 ======================= Grid point 1581 (449/489) ======================= q-point: ( 0.65 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 1.689 10.671 0.536) 10.817 2.662 ( 6.171 6.951 8.477) 12.580 3.069 ( -0.815 -0.574 -7.908) 7.971 3.142 ( 6.583 17.549 -1.197) 18.781 4.057 ( 7.828 7.259 0.566) 10.691 5.108 ( 17.537 15.999 0.713) 23.749 8.533 ( -1.788 -0.593 4.391) 4.778 8.781 ( 9.041 19.983 1.620) 21.993 10.570 ( -1.917 -6.211 -7.077) 9.610 10.748 ( 0.435 4.539 -1.827) 4.912 12.732 ( -21.505 -21.884 -0.392) 30.684 14.830 ( 4.524 -2.065 2.151) 5.418 ======================= Grid point 1582 (450/489) ======================= q-point: ( 0.71 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( -0.316 10.992 -0.033) 10.997 2.853 ( 6.047 5.412 6.220) 10.224 2.978 ( -2.903 -2.760 -9.379) 10.199 3.427 ( 3.334 19.593 0.260) 19.876 4.218 ( 4.820 2.735 1.293) 5.691 5.518 ( 14.751 9.394 0.739) 17.504 8.603 ( 5.043 5.408 4.679) 8.751 9.116 ( 5.754 19.338 1.601) 20.239 10.453 ( -0.552 -7.508 -5.591) 9.377 10.787 ( -2.378 6.487 -1.179) 7.009 12.145 ( -22.654 -16.413 -2.300) 28.069 14.905 ( 7.346 -5.781 4.269) 10.276 ======================= Grid point 1595 (451/489) ======================= q-point: ( 0.47 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 0.000 9.695 6.120) 11.465 2.173 ( -0.000 15.672 -6.914) 17.130 2.278 ( 0.000 9.670 10.657) 14.390 2.889 ( -0.000 17.512 -0.788) 17.530 3.303 ( -0.000 24.622 3.618) 24.886 4.065 ( -0.000 9.045 -6.022) 10.867 7.848 ( -0.000 15.507 0.382) 15.512 9.348 ( 0.000 -21.752 5.736) 22.496 10.260 ( -0.000 21.187 -19.141) 28.553 10.825 ( 0.000 -6.291 -0.009) 6.291 13.896 ( 0.000 -24.503 11.336) 26.998 14.802 ( -0.000 6.250 -9.533) 11.399 ======================= Grid point 1596 (452/489) ======================= q-point: ( 0.53 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 3.856 6.733 1.916) 7.992 2.369 ( 2.153 13.110 3.504) 13.740 2.442 ( 6.753 14.386 1.281) 15.944 3.039 ( 1.956 7.728 -1.220) 8.065 3.566 ( 3.857 19.354 -1.905) 19.826 4.242 ( 4.476 21.702 -0.679) 22.169 8.067 ( 6.281 17.402 -0.021) 18.500 9.061 ( -7.605 -20.117 -1.516) 21.560 10.433 ( 3.427 13.372 -8.293) 16.104 10.772 ( 0.452 -5.392 -0.338) 5.422 13.633 ( -4.426 -27.189 9.902) 29.273 14.823 ( -1.745 6.273 -8.544) 10.742 ======================= Grid point 1597 (453/489) ======================= q-point: ( 0.59 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 6.084 7.504 1.081) 9.721 2.515 ( 2.130 9.161 5.125) 10.711 2.789 ( 11.868 18.563 -0.789) 22.047 3.086 ( 0.458 -0.309 -3.637) 3.679 3.808 ( 5.363 14.649 -1.369) 15.660 4.613 ( 9.676 25.212 0.828) 27.018 8.398 ( 10.388 19.012 0.106) 21.665 8.753 ( -7.584 -10.951 -2.495) 13.552 10.558 ( 2.601 3.303 -3.728) 5.619 10.730 ( 0.201 -2.913 -0.332) 2.939 13.263 ( -9.285 -28.111 6.282) 30.264 14.815 ( -2.656 4.167 -5.500) 7.394 ======================= Grid point 1598 (454/489) ======================= q-point: ( 0.65 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 5.499 9.342 0.511) 10.852 2.668 ( 3.867 7.907 4.664) 9.962 3.046 ( -1.149 -3.058 -4.750) 5.765 3.178 ( 11.022 19.235 -0.269) 22.171 4.026 ( 5.564 9.839 0.035) 11.303 5.033 ( 11.613 20.059 0.415) 23.182 8.568 ( -2.325 -1.448 -0.016) 2.740 8.814 ( 11.014 19.911 0.278) 22.756 10.529 ( -2.436 -5.933 -2.953) 7.061 10.764 ( 2.769 4.154 -0.110) 4.993 12.802 ( -13.904 -26.006 2.047) 29.560 14.789 ( -1.306 -0.038 -1.508) 1.996 ======================= Grid point 1599 (455/489) ======================= q-point: ( 0.71 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 2.496 11.308 -0.187) 11.582 2.826 ( 5.023 5.735 2.863) 8.144 2.971 ( -2.150 -3.069 -3.609) 5.202 3.535 ( 7.696 19.367 0.177) 20.841 4.186 ( 3.924 5.352 0.391) 6.648 5.393 ( 11.244 11.933 0.195) 16.397 8.598 ( 3.276 5.238 2.255) 6.576 9.193 ( 8.816 19.432 0.940) 21.359 10.392 ( -3.236 -8.288 -2.473) 9.235 10.871 ( 1.786 8.406 -0.449) 8.606 12.300 ( -16.760 -20.459 -1.271) 26.478 14.768 ( 2.051 -5.110 1.708) 5.765 ======================= Grid point 1613 (456/489) ======================= q-point: ( 0.53 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -0.000 5.823 -0.142) 5.825 2.497 ( 0.000 8.479 3.590) 9.208 2.512 ( -0.000 18.107 -1.290) 18.152 3.075 ( -0.000 2.466 -1.394) 2.833 3.718 ( -0.000 17.958 -1.664) 18.035 4.455 ( -0.000 27.809 0.868) 27.822 8.180 ( -0.000 17.622 -0.967) 17.649 8.921 ( -0.000 -17.069 -6.992) 18.446 10.504 ( -0.000 8.243 -1.912) 8.462 10.713 ( 0.000 -4.915 0.881) 4.994 13.415 ( 0.000 -29.968 9.420) 31.414 14.884 ( -0.000 7.349 -8.524) 11.255 ======================= Grid point 1614 (457/489) ======================= q-point: ( 0.59 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 5.017 5.962 -0.245) 7.796 2.590 ( 0.776 8.924 0.970) 9.010 2.770 ( 9.138 16.601 -0.596) 18.959 3.072 ( -0.287 -1.660 -1.012) 1.965 3.897 ( 1.689 15.150 -0.733) 15.261 4.773 ( 3.531 28.026 0.764) 28.258 8.420 ( 7.418 17.856 -1.228) 19.375 8.723 ( -3.150 -9.878 -8.232) 13.239 10.562 ( 0.104 1.848 2.327) 2.974 10.685 ( 1.227 -2.858 0.948) 3.252 13.099 ( -3.939 -31.358 7.101) 32.392 14.905 ( -3.112 6.506 -7.152) 10.157 ======================= Grid point 1615 (458/489) ======================= q-point: ( 0.65 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 8.210 6.624 0.157) 10.550 2.707 ( 2.286 8.558 -0.163) 8.860 3.024 ( -0.505 -2.909 0.393) 2.979 3.141 ( 12.845 15.802 -0.506) 20.371 4.061 ( 2.330 10.706 -0.325) 10.962 5.111 ( 5.075 23.312 0.171) 23.859 8.578 ( -1.295 -1.068 -5.338) 5.596 8.795 ( 12.317 17.781 -1.588) 21.689 10.525 ( -3.365 -4.845 2.641) 6.464 10.734 ( 4.306 2.266 1.348) 5.049 12.711 ( -7.107 -29.965 4.065) 31.064 14.862 ( -5.523 3.625 -4.671) 8.091 ======================= Grid point 1631 (459/489) ======================= q-point: ( 0.59 0.59 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( -0.000 5.410 -0.626) 5.446 2.669 ( -0.000 8.534 -2.009) 8.767 2.841 ( -0.000 15.145 -0.387) 15.150 3.051 ( 0.000 -3.328 1.911) 3.838 4.027 ( -0.000 13.342 -0.426) 13.349 5.026 ( -0.000 27.181 0.187) 27.182 8.519 ( -0.000 16.768 -1.590) 16.843 8.637 ( -0.000 -5.667 -10.368) 11.816 10.589 ( 0.000 -0.092 6.483) 6.483 10.649 ( 0.000 -2.123 1.258) 2.468 12.827 ( 0.000 -33.318 5.806) 33.820 14.984 ( -0.000 7.232 -7.163) 10.179 ======================= Grid point 1632 (460/489) ======================= q-point: (-0.35 -0.41 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 5.812 5.225 -0.266) 7.820 2.755 ( 1.196 8.590 -3.508) 9.355 3.010 ( -0.263 -2.548 4.827) 5.464 3.078 ( 9.321 11.986 -0.162) 15.185 4.145 ( 0.133 9.821 -0.756) 9.851 5.294 ( 1.415 23.332 -0.413) 23.378 8.570 ( -0.542 1.076 -8.142) 8.230 8.761 ( 9.206 15.601 -1.746) 18.199 10.559 ( -3.603 -3.228 6.007) 7.712 10.682 ( 3.758 0.489 2.443) 4.509 12.488 ( -2.279 -32.662 3.790) 32.960 14.991 ( -4.736 6.061 -6.100) 9.817 ======================= Grid point 1649 (461/489) ======================= q-point: (-0.35 -0.35 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -0.000 4.507 -0.136) 4.509 2.819 ( -0.000 8.743 -4.861) 10.004 3.000 ( 0.000 -4.657 8.583) 9.765 3.104 ( -0.000 11.301 -0.062) 11.301 4.230 ( -0.000 7.548 -1.525) 7.700 5.502 ( -0.000 20.519 -1.014) 20.544 8.581 ( -0.000 5.437 -6.941) 8.817 8.817 ( -0.000 13.693 -0.685) 13.710 10.604 ( 0.000 -2.792 8.504) 8.951 10.639 ( 0.000 0.288 0.417) 0.507 12.184 ( 0.000 -32.880 2.269) 32.958 15.080 ( -0.000 6.357 -6.228) 8.900 ======================= Grid point 1849 (462/489) ======================= q-point: ( 0.35 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 0.000 -0.000 14.571) 14.571 1.103 ( 0.000 -0.000 14.571) 14.571 1.933 ( -0.000 0.000 -6.336) 6.336 1.933 ( -0.000 0.000 -6.336) 6.336 2.445 ( 0.000 -0.000 35.359) 35.359 4.618 ( -0.000 0.000 -20.192) 20.192 7.347 ( 0.000 -0.000 2.314) 2.314 7.347 ( 0.000 -0.000 2.314) 2.314 11.080 ( -0.000 0.000 -1.298) 1.298 11.080 ( -0.000 0.000 -1.298) 1.298 14.585 ( 0.000 -0.000 1.627) 1.627 14.664 ( -0.000 0.000 -1.128) 1.128 ======================= Grid point 1850 (463/489) ======================= q-point: ( 0.41 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 9.442 5.452 13.689) 17.501 1.505 ( 23.735 13.703 12.386) 30.076 1.950 ( 2.950 1.703 -6.233) 7.103 2.041 ( 11.067 6.390 -7.361) 14.747 2.591 ( 4.557 2.631 29.855) 30.315 4.344 ( -12.637 -7.296 -15.276) 21.125 7.408 ( 4.683 2.704 1.999) 5.765 8.127 ( 54.447 31.435 -7.116) 63.271 10.767 ( -24.586 -14.195 -1.601) 28.434 11.048 ( -2.556 -1.476 -1.281) 3.218 14.530 ( -5.616 -3.242 3.883) 7.558 14.679 ( 1.657 0.957 -4.065) 4.492 ======================= Grid point 1851 (464/489) ======================= q-point: ( 0.47 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 14.248 8.226 11.869) 20.286 1.994 ( 11.192 6.462 16.304) 20.805 2.032 ( 6.032 3.483 -6.577) 9.580 2.430 ( 25.061 14.469 -9.041) 30.318 2.873 ( 14.161 8.176 17.958) 24.288 4.086 ( -5.495 -3.172 -12.139) 13.697 7.573 ( 9.061 5.231 1.678) 10.596 9.294 ( 39.250 22.661 -1.676) 45.353 10.115 ( -24.044 -13.882 -9.584) 29.371 10.961 ( -4.455 -2.572 -1.285) 5.302 14.354 ( -11.429 -6.599 6.759) 14.827 14.688 ( 0.775 0.447 -7.539) 7.592 ======================= Grid point 1852 (465/489) ======================= q-point: ( 0.53 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 10.992 6.346 9.037) 15.581 2.206 ( 5.561 3.211 15.001) 16.318 2.208 ( 11.543 6.664 -5.620) 14.465 2.942 ( 17.471 10.087 -3.736) 20.517 3.321 ( 19.779 11.420 2.169) 22.942 4.067 ( 8.321 4.804 -5.891) 11.270 7.830 ( 12.770 7.373 1.509) 14.823 9.252 ( -25.592 -14.776 9.894) 31.164 10.276 ( 24.550 14.174 -17.966) 33.561 10.845 ( -5.020 -2.898 -1.312) 5.943 14.024 ( -18.992 -10.965 4.171) 22.323 14.699 ( 2.400 1.385 -4.186) 5.020 ======================= Grid point 1853 (466/489) ======================= q-point: ( 0.59 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 6.480 3.741 3.520) 8.269 2.392 ( 7.219 4.168 12.801) 15.275 2.516 ( 14.884 8.593 -1.523) 17.253 3.151 ( 2.874 1.660 -7.276) 7.998 3.717 ( 15.269 8.816 -1.899) 17.733 4.461 ( 23.750 13.712 0.299) 27.426 8.157 ( 14.911 8.609 1.463) 17.280 8.774 ( -16.672 -9.625 7.775) 20.762 10.613 ( 9.069 5.236 -12.848) 16.575 10.734 ( -4.069 -2.349 -1.293) 4.873 13.511 ( -25.755 -14.870 -0.234) 29.740 14.784 ( 5.058 2.920 1.724) 6.090 ======================= Grid point 1854 (467/489) ======================= q-point: ( 0.65 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 5.066 2.925 1.095) 5.952 2.609 ( 8.341 4.816 9.876) 13.795 2.840 ( 13.065 7.543 -0.150) 15.087 3.111 ( -2.682 -1.548 -9.966) 10.436 4.023 ( 11.255 6.498 0.480) 13.005 5.023 ( 23.310 13.458 0.869) 26.930 8.506 ( 14.604 8.432 1.293) 16.913 8.552 ( -4.836 -2.792 7.991) 9.749 10.660 ( -1.956 -1.129 -1.061) 2.495 10.668 ( 0.134 0.078 -10.738) 10.739 12.865 ( -29.308 -16.921 -2.460) 33.932 14.926 ( 6.069 3.504 5.252) 8.758 ======================= Grid point 1867 (468/489) ======================= q-point: ( 0.41 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 0.000 13.666 9.649) 16.729 1.481 ( 0.000 26.580 13.082) 29.625 1.919 ( -0.000 2.632 -6.292) 6.820 2.033 ( -0.000 13.256 -6.924) 14.956 2.674 ( 0.000 3.677 27.793) 28.035 4.298 ( -0.000 -13.923 -15.014) 20.476 7.414 ( 0.000 5.495 1.760) 5.770 8.104 ( -0.000 60.781 -5.330) 61.014 10.786 ( 0.000 -25.834 -2.686) 25.973 11.039 ( -0.000 -3.283 -0.876) 3.397 14.532 ( 0.000 -7.572 4.101) 8.611 14.668 ( -0.000 1.710 -3.721) 4.095 ======================= Grid point 1868 (469/489) ======================= q-point: ( 0.47 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 5.150 17.123 9.758) 20.369 1.935 ( 12.113 17.129 14.304) 25.391 1.969 ( 4.071 4.638 -6.661) 9.080 2.258 ( 11.186 21.004 -9.551) 25.642 2.848 ( 5.705 8.464 19.845) 22.316 4.089 ( -4.292 -7.341 -12.135) 14.818 7.529 ( 4.708 8.400 1.386) 9.728 8.984 ( 29.425 48.685 -4.081) 57.033 10.304 ( -19.286 -27.249 -5.819) 33.887 10.982 ( -1.955 -4.137 -0.920) 4.667 14.413 ( -4.519 -11.814 6.488) 14.216 14.674 ( -0.003 1.956 -6.446) 6.737 ======================= Grid point 1869 (470/489) ======================= q-point: ( 0.53 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 7.177 14.379 9.894) 18.873 2.103 ( 7.729 8.305 -5.778) 12.732 2.212 ( 4.763 7.108 10.389) 13.459 2.745 ( 18.178 18.789 -4.725) 26.567 3.173 ( 13.314 13.970 7.057) 20.548 3.998 ( 2.250 2.357 -7.449) 8.130 7.748 ( 8.616 11.515 1.198) 14.431 9.496 ( -16.384 -18.297 12.717) 27.657 10.001 ( 18.693 21.801 -19.596) 34.766 10.889 ( -3.746 -3.760 -1.099) 5.420 14.161 ( -11.211 -16.070 4.865) 20.189 14.679 ( 0.657 2.570 -5.091) 5.740 ======================= Grid point 1870 (471/489) ======================= q-point: ( 0.59 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 3.797 8.490 4.081) 10.156 2.350 ( 7.561 6.781 7.152) 12.422 2.428 ( 9.362 14.559 0.909) 17.333 3.075 ( 6.848 4.686 -4.588) 9.482 3.558 ( 14.069 12.328 -1.268) 18.749 4.246 ( 17.384 15.226 -0.936) 23.128 8.054 ( 11.216 14.185 1.276) 18.128 8.978 ( -18.208 -16.317 6.640) 25.335 10.454 ( 13.260 10.669 -9.971) 19.725 10.781 ( -4.297 -2.670 -1.235) 5.208 13.731 ( -19.083 -18.965 0.076) 26.904 14.734 ( 3.715 2.571 0.347) 4.531 ======================= Grid point 1871 (472/489) ======================= q-point: ( 0.65 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 2.743 7.791 1.226) 8.350 2.555 ( 7.227 5.834 8.013) 12.267 2.767 ( 9.874 16.253 0.121) 19.018 3.102 ( -1.049 -1.547 -6.945) 7.192 3.893 ( 12.266 9.043 0.020) 15.239 4.776 ( 22.362 16.948 0.237) 28.060 8.408 ( 11.483 15.304 1.497) 19.192 8.650 ( -8.445 -6.886 7.606) 13.288 10.612 ( 2.600 0.556 -8.343) 8.756 10.694 ( -2.660 -0.260 -1.169) 2.917 13.146 ( -24.941 -19.797 -3.186) 32.002 14.851 ( 6.407 1.079 4.556) 7.936 ======================= Grid point 1885 (473/489) ======================= q-point: ( 0.47 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 0.000 18.102 5.827) 19.017 1.958 ( -0.000 5.071 -6.229) 8.032 2.065 ( 0.000 17.727 13.055) 22.015 2.381 ( -0.000 27.696 -8.239) 28.895 2.953 ( 0.000 11.911 15.561) 19.596 4.019 ( -0.000 -5.406 -10.076) 11.435 7.585 ( -0.000 10.827 0.852) 10.861 9.248 ( -0.000 48.389 1.571) 48.415 10.151 ( -0.000 -29.433 -11.734) 31.686 10.945 ( 0.000 -5.505 -0.255) 5.511 14.334 ( 0.000 -16.003 7.827) 17.815 14.682 ( -0.000 3.149 -6.713) 7.415 ======================= Grid point 1886 (474/489) ======================= q-point: ( 0.53 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 4.063 14.575 8.426) 17.318 2.050 ( 6.308 10.506 -8.336) 14.821 2.255 ( 2.469 9.169 7.002) 11.798 2.721 ( 8.112 24.421 -2.830) 25.888 3.183 ( 5.836 16.788 6.546) 18.941 3.978 ( 1.107 3.784 -5.811) 7.022 7.755 ( 5.382 13.573 0.452) 14.608 9.543 ( -7.635 -20.472 10.948) 24.439 9.960 ( 7.390 25.398 -18.317) 32.174 10.881 ( -0.974 -5.436 -0.296) 5.531 14.136 ( -5.084 -20.129 7.149) 21.958 14.694 ( -0.359 4.113 -6.301) 7.533 ======================= Grid point 1887 (475/489) ======================= q-point: ( 0.59 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 3.923 7.869 1.948) 9.006 2.332 ( 6.885 12.602 1.836) 14.477 2.434 ( 7.588 13.896 1.134) 15.874 3.015 ( 5.649 8.397 -1.264) 10.199 3.492 ( 9.159 15.942 -0.514) 18.393 4.167 ( 10.278 17.625 -0.852) 20.421 8.037 ( 9.377 16.644 0.420) 19.108 9.084 ( -14.033 -21.766 1.638) 25.950 10.355 ( 10.115 16.188 -4.880) 19.702 10.804 ( -2.194 -4.101 -0.536) 4.681 13.791 ( -11.813 -22.980 2.992) 26.011 14.721 ( 0.831 3.729 -2.651) 4.650 ======================= Grid point 1888 (476/489) ======================= q-point: ( 0.65 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 3.243 9.254 0.459) 9.817 2.524 ( 5.835 7.263 3.223) 9.858 2.785 ( 10.037 19.673 0.141) 22.086 3.081 ( -0.000 -0.889 -2.586) 2.734 3.802 ( 10.056 12.271 0.001) 15.865 4.617 ( 17.161 20.940 -0.056) 27.074 8.396 ( 10.763 18.715 0.717) 21.601 8.727 ( -8.277 -10.931 3.196) 14.079 10.556 ( 3.349 3.241 -3.268) 5.692 10.730 ( -2.181 -1.261 -0.453) 2.560 13.299 ( -18.270 -23.326 -1.573) 29.671 14.781 ( 3.331 0.975 1.893) 3.953 ======================= Grid point 1903 (477/489) ======================= q-point: ( 0.53 0.53 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( -0.000 5.533 -1.070) 5.635 2.128 ( -0.000 19.726 -0.864) 19.745 2.339 ( 0.000 8.252 2.175) 8.534 2.885 ( -0.000 19.329 0.637) 19.339 3.331 ( -0.000 19.198 2.072) 19.309 4.026 ( -0.000 12.258 -2.216) 12.457 7.848 ( -0.000 15.124 -0.325) 15.127 9.375 ( 0.000 -29.017 -0.596) 29.023 10.141 ( -0.000 28.378 -6.086) 29.024 10.828 ( 0.000 -6.062 0.526) 6.085 13.984 ( 0.000 -23.875 7.843) 25.130 14.727 ( -0.000 5.620 -6.629) 8.691 ======================= Grid point 1904 (478/489) ======================= q-point: ( 0.59 0.53 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 4.425 6.188 -1.290) 7.716 2.376 ( 4.644 15.794 -0.535) 16.472 2.449 ( 4.885 11.364 -1.351) 12.443 3.042 ( 1.269 7.117 2.154) 7.543 3.555 ( 3.586 18.284 -0.494) 18.639 4.240 ( 4.685 23.207 0.230) 23.676 8.063 ( 6.535 17.040 -0.698) 18.263 9.032 ( -6.536 -22.979 -4.830) 24.373 10.401 ( 3.402 16.142 1.324) 16.550 10.773 ( -0.008 -5.200 0.562) 5.230 13.705 ( -5.517 -26.854 5.580) 27.977 14.760 ( -0.827 5.784 -5.139) 7.781 ======================= Grid point 1921 (479/489) ======================= q-point: (-0.41 -0.41 -0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -0.000 6.168 -2.067) 6.505 2.483 ( -0.000 8.265 -6.415) 10.462 2.507 ( -0.000 18.031 0.235) 18.033 3.091 ( 0.000 1.845 4.829) 5.170 3.709 ( -0.000 18.082 -0.141) 18.083 4.461 ( -0.000 28.032 0.383) 28.034 8.170 ( -0.000 17.315 -1.305) 17.364 8.849 ( -0.000 -18.901 -8.414) 20.689 10.525 ( 0.000 10.170 6.307) 11.967 10.723 ( 0.000 -4.736 1.168) 4.878 13.484 ( 0.000 -30.154 5.442) 30.641 14.818 ( -0.000 7.013 -5.760) 9.075 ======================= Grid point 2158 (480/489) ======================= q-point: ( 0.41 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 0.000 -0.000 10.404) 10.404 1.219 ( 0.000 -0.000 10.404) 10.404 1.878 ( -0.000 0.000 -5.411) 5.411 1.878 ( -0.000 0.000 -5.411) 5.411 2.730 ( 0.000 -0.000 26.254) 26.254 4.444 ( -0.000 0.000 -17.132) 17.132 7.365 ( 0.000 -0.000 1.536) 1.536 7.365 ( 0.000 -0.000 1.536) 1.536 11.070 ( -0.000 0.000 -0.864) 0.864 11.070 ( -0.000 0.000 -0.864) 0.864 14.599 ( 0.000 -0.000 1.485) 1.485 14.654 ( -0.000 0.000 -1.157) 1.157 ======================= Grid point 2159 (481/489) ======================= q-point: ( 0.47 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 9.446 5.454 10.212) 14.942 1.600 ( 25.051 14.463 7.912) 29.989 1.896 ( 2.747 1.586 -5.182) 6.076 1.978 ( 9.651 5.572 -6.025) 12.668 2.824 ( 2.532 1.462 20.228) 20.439 4.214 ( -11.207 -6.470 -12.359) 17.894 7.423 ( 4.652 2.686 1.164) 5.496 8.080 ( 51.698 29.848 -3.307) 59.788 10.757 ( -24.963 -14.412 -0.579) 28.830 11.038 ( -2.610 -1.507 -0.839) 3.129 14.565 ( -4.216 -2.434 3.693) 6.110 14.643 ( -0.122 -0.070 -3.885) 3.888 ======================= Grid point 2160 (482/489) ======================= q-point: ( 0.53 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 14.265 8.236 10.119) 19.332 1.973 ( 5.534 3.195 -6.125) 8.852 2.122 ( 10.373 5.989 11.021) 16.277 2.348 ( 27.874 16.093 -8.340) 33.249 3.007 ( 10.044 5.799 10.410) 15.585 3.990 ( -4.377 -2.527 -7.869) 9.352 7.585 ( 9.088 5.247 0.923) 10.534 9.279 ( 46.853 27.051 -1.568) 54.124 10.061 ( -31.710 -18.308 -2.226) 36.683 10.951 ( -4.528 -2.614 -0.868) 5.300 14.399 ( -11.695 -6.752 2.521) 13.738 14.636 ( 0.998 0.576 -3.464) 3.650 ======================= Grid point 2161 (483/489) ======================= q-point: ( 0.59 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 8.373 4.834 8.110) 12.619 2.157 ( 13.694 7.906 -5.266) 16.666 2.313 ( 5.975 3.449 7.833) 10.438 2.906 ( 17.784 10.268 -3.695) 20.865 3.336 ( 15.992 9.233 0.804) 18.483 4.028 ( 10.826 6.251 -2.451) 12.739 7.842 ( 12.867 7.429 0.986) 14.890 9.335 ( -27.353 -15.792 7.604) 32.487 10.153 ( 26.600 15.358 -8.186) 31.787 10.835 ( -5.100 -2.944 -0.988) 5.971 14.032 ( -20.000 -11.547 -2.367) 23.215 14.688 ( 3.920 2.263 1.700) 4.835 ======================= Grid point 2176 (484/489) ======================= q-point: ( 0.47 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 0.000 12.767 3.943) 13.362 1.585 ( 0.000 28.009 9.242) 29.494 1.872 ( -0.000 2.384 -3.444) 4.189 1.974 ( -0.000 11.689 -5.516) 12.925 2.877 ( 0.000 2.224 15.574) 15.732 4.180 ( -0.000 -12.559 -9.770) 15.912 7.426 ( -0.000 5.419 0.861) 5.486 8.071 ( -0.000 58.716 -2.099) 58.753 10.767 ( 0.000 -27.556 -1.619) 27.604 11.033 ( 0.000 -3.192 -0.326) 3.208 14.568 ( 0.000 -5.715 3.902) 6.920 14.635 ( -0.000 0.055 -3.557) 3.558 ======================= Grid point 2177 (485/489) ======================= q-point: ( 0.53 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 7.361 16.256 4.500) 18.404 1.920 ( 3.202 4.036 -3.434) 6.191 2.057 ( 12.094 17.318 12.481) 24.534 2.165 ( 11.064 21.911 -10.926) 26.868 2.981 ( 3.915 6.377 8.124) 11.045 4.003 ( -3.821 -6.585 -5.487) 9.384 7.538 ( 4.755 8.322 0.485) 9.597 8.959 ( 30.067 51.361 -1.317) 59.529 10.269 ( -19.291 -31.359 -1.910) 36.867 10.977 ( -2.184 -4.047 -0.319) 4.610 14.461 ( -5.111 -10.716 3.274) 12.315 14.627 ( 0.028 1.229 -3.258) 3.482 ======================= Grid point 2178 (486/489) ======================= q-point: ( 0.59 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 7.116 13.299 9.379) 17.761 2.039 ( 8.530 9.094 -7.692) 14.650 2.277 ( 5.313 6.008 2.644) 8.445 2.714 ( 18.572 20.086 -1.565) 27.401 3.211 ( 10.593 11.647 0.766) 15.762 3.956 ( 3.389 3.588 -1.267) 5.096 7.756 ( 8.795 11.478 0.401) 14.466 9.588 ( -22.724 -26.373 4.098) 35.053 9.879 ( 26.061 29.352 -3.770) 39.432 10.882 ( -3.957 -3.735 -0.436) 5.458 14.177 ( -13.150 -15.270 -1.513) 20.209 14.659 ( 2.382 2.228 0.953) 3.398 ======================= Grid point 2194 (487/489) ======================= q-point: ( 0.53 0.53 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -0.000 18.111 -3.821) 18.510 1.933 ( 0.000 4.683 1.508) 4.919 2.158 ( 0.000 11.938 5.134) 12.995 2.317 ( -0.000 33.436 -3.813) 33.652 3.043 ( 0.000 9.948 3.203) 10.451 3.960 ( -0.000 -4.582 -1.829) 4.934 7.589 ( -0.000 10.621 -0.037) 10.621 9.264 ( -0.000 54.872 1.755) 54.900 10.074 ( 0.000 -36.927 -5.029) 37.268 10.946 ( 0.000 -5.355 0.328) 5.365 14.391 ( 0.000 -14.733 4.146) 15.305 14.634 ( -0.000 2.183 -3.099) 3.791 ======================= Grid point 2467 (488/489) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 0.000 -0.000 3.970) 3.970 1.286 ( 0.000 -0.000 3.970) 3.970 1.841 ( -0.000 0.000 -2.297) 2.297 1.841 ( -0.000 0.000 -2.297) 2.297 2.902 ( 0.000 -0.000 10.339) 10.339 4.327 ( -0.000 0.000 -7.295) 7.295 7.374 ( 0.000 -0.000 0.538) 0.538 7.374 ( 0.000 -0.000 0.538) 0.538 11.065 ( -0.000 0.000 -0.303) 0.303 11.065 ( -0.000 0.000 -0.303) 0.303 14.610 ( 0.000 -0.000 0.787) 0.787 14.645 ( -0.000 0.000 -0.673) 0.673 ======================= Grid point 2468 (489/489) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 10.169 5.871 3.969) 12.395 1.635 ( 25.832 14.914 -0.891) 29.841 1.863 ( 2.294 1.325 -1.633) 3.112 1.946 ( 8.658 4.999 -0.131) 9.998 2.936 ( 1.679 0.969 3.237) 3.773 4.142 ( -10.570 -6.102 -2.175) 12.397 7.429 ( 4.655 2.688 0.163) 5.378 8.063 ( 50.517 29.166 -0.511) 58.335 10.757 ( -24.714 -14.268 0.511) 28.542 11.033 ( -2.683 -1.549 -0.275) 3.110 14.594 ( -4.572 -2.639 1.045) 5.381 14.612 ( -0.082 -0.048 -1.310) 1.313 =================== 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 1747.860 1747.860 4211.101 -0.000 0.000 -0.000 3/58956 20.0 383.935 383.935 331.674 -0.000 -0.000 -0.000 3/58956 30.0 160.881 160.881 107.190 -0.000 -0.000 -0.000 3/58956 40.0 111.067 111.067 62.146 -0.000 -0.000 -0.000 3/58956 50.0 88.059 88.059 44.769 0.000 -0.000 -0.000 3/58956 60.0 72.524 72.524 35.267 0.000 -0.000 -0.000 3/58956 70.0 60.700 60.700 29.044 0.000 -0.000 -0.000 3/58956 80.0 51.449 51.449 24.580 0.000 -0.000 -0.000 3/58956 90.0 44.161 44.161 21.217 0.000 -0.000 -0.000 3/58956 100.0 38.387 38.387 18.606 0.000 -0.000 -0.000 3/58956 110.0 33.773 33.773 16.533 0.000 -0.000 -0.000 3/58956 120.0 30.047 30.047 14.856 0.000 -0.000 -0.000 3/58956 130.0 27.003 27.003 13.478 0.000 -0.000 -0.000 3/58956 140.0 24.487 24.487 12.330 0.000 -0.000 -0.000 3/58956 150.0 22.381 22.381 11.360 0.000 -0.000 -0.000 3/58956 160.0 20.600 20.600 10.532 0.000 -0.000 -0.000 3/58956 170.0 19.078 19.078 9.818 0.000 -0.000 -0.000 3/58956 180.0 17.764 17.764 9.195 0.000 -0.000 -0.000 3/58956 190.0 16.620 16.620 8.648 0.000 -0.000 -0.000 3/58956 200.0 15.615 15.615 8.163 0.000 -0.000 -0.000 3/58956 210.0 14.727 14.727 7.732 -0.000 -0.000 -0.000 3/58956 220.0 13.936 13.936 7.344 -0.000 -0.000 -0.000 3/58956 230.0 13.228 13.228 6.995 -0.000 -0.000 -0.000 3/58956 240.0 12.590 12.590 6.678 -0.000 -0.000 -0.000 3/58956 250.0 12.012 12.012 6.389 -0.000 -0.000 -0.000 3/58956 260.0 11.486 11.486 6.125 -0.000 -0.000 -0.000 3/58956 270.0 11.006 11.006 5.882 -0.000 -0.000 -0.000 3/58956 280.0 10.565 10.565 5.658 -0.000 -0.000 -0.000 3/58956 290.0 10.160 10.160 5.451 -0.000 -0.000 -0.000 3/58956 300.0 9.785 9.785 5.259 -0.000 -0.000 -0.000 3/58956 310.0 9.437 9.437 5.080 -0.000 -0.000 -0.000 3/58956 320.0 9.115 9.115 4.914 -0.000 -0.000 -0.000 3/58956 330.0 8.814 8.814 4.758 -0.000 -0.000 -0.000 3/58956 340.0 8.533 8.533 4.612 -0.000 -0.000 -0.000 3/58956 350.0 8.269 8.269 4.475 -0.000 -0.000 -0.000 3/58956 360.0 8.022 8.022 4.345 -0.000 -0.000 -0.000 3/58956 370.0 7.790 7.790 4.224 -0.000 -0.000 -0.000 3/58956 380.0 7.571 7.571 4.109 -0.000 -0.000 -0.000 3/58956 390.0 7.364 7.364 4.000 -0.000 -0.000 -0.000 3/58956 400.0 7.169 7.169 3.897 -0.000 -0.000 -0.000 3/58956 410.0 6.984 6.984 3.799 -0.000 -0.000 -0.000 3/58956 420.0 6.809 6.809 3.706 -0.000 -0.000 -0.000 3/58956 430.0 6.642 6.642 3.617 -0.000 -0.000 -0.000 3/58956 440.0 6.483 6.483 3.533 -0.000 -0.000 -0.000 3/58956 450.0 6.332 6.332 3.453 -0.000 -0.000 -0.000 3/58956 460.0 6.188 6.188 3.376 -0.000 -0.000 -0.000 3/58956 470.0 6.051 6.051 3.303 -0.000 -0.000 -0.000 3/58956 480.0 5.919 5.919 3.232 -0.000 -0.000 -0.000 3/58956 490.0 5.794 5.794 3.165 -0.000 -0.000 -0.000 3/58956 500.0 5.673 5.673 3.101 -0.000 -0.000 -0.000 3/58956 510.0 5.558 5.558 3.039 -0.000 -0.000 -0.000 3/58956 520.0 5.447 5.447 2.979 -0.000 -0.000 -0.000 3/58956 530.0 5.341 5.341 2.922 -0.000 -0.000 -0.000 3/58956 540.0 5.239 5.239 2.867 -0.000 -0.000 -0.000 3/58956 550.0 5.141 5.141 2.814 -0.000 -0.000 -0.000 3/58956 560.0 5.046 5.046 2.763 -0.000 -0.000 -0.000 3/58956 570.0 4.955 4.955 2.714 -0.000 -0.000 -0.000 3/58956 580.0 4.867 4.867 2.667 -0.000 -0.000 -0.000 3/58956 590.0 4.782 4.782 2.621 -0.000 -0.000 -0.000 3/58956 600.0 4.701 4.701 2.577 -0.000 -0.000 -0.000 3/58956 610.0 4.622 4.622 2.534 -0.000 -0.000 -0.000 3/58956 620.0 4.545 4.545 2.493 -0.000 -0.000 -0.000 3/58956 630.0 4.471 4.471 2.453 -0.000 -0.000 -0.000 3/58956 640.0 4.400 4.400 2.414 -0.000 -0.000 -0.000 3/58956 650.0 4.331 4.331 2.376 -0.000 -0.000 -0.000 3/58956 660.0 4.264 4.264 2.340 -0.000 -0.000 -0.000 3/58956 670.0 4.199 4.199 2.305 -0.000 -0.000 -0.000 3/58956 680.0 4.136 4.136 2.271 -0.000 -0.000 -0.000 3/58956 690.0 4.075 4.075 2.237 -0.000 -0.000 -0.000 3/58956 700.0 4.016 4.016 2.205 -0.000 -0.000 -0.000 3/58956 710.0 3.958 3.958 2.174 -0.000 -0.000 -0.000 3/58956 720.0 3.902 3.902 2.143 -0.000 -0.000 -0.000 3/58956 730.0 3.848 3.848 2.114 -0.000 -0.000 -0.000 3/58956 740.0 3.795 3.795 2.085 -0.000 -0.000 -0.000 3/58956 750.0 3.744 3.744 2.057 -0.000 -0.000 -0.000 3/58956 760.0 3.694 3.694 2.030 -0.000 -0.000 -0.000 3/58956 770.0 3.645 3.645 2.003 -0.000 -0.000 -0.000 3/58956 780.0 3.597 3.597 1.977 -0.000 -0.000 -0.000 3/58956 790.0 3.551 3.551 1.952 -0.000 -0.000 -0.000 3/58956 800.0 3.506 3.506 1.928 -0.000 -0.000 -0.000 3/58956 810.0 3.462 3.462 1.904 -0.000 -0.000 -0.000 3/58956 820.0 3.420 3.420 1.880 -0.000 -0.000 -0.000 3/58956 830.0 3.378 3.378 1.858 -0.000 -0.000 -0.000 3/58956 840.0 3.337 3.337 1.835 -0.000 -0.000 -0.000 3/58956 850.0 3.298 3.298 1.814 -0.000 -0.000 -0.000 3/58956 860.0 3.259 3.259 1.793 -0.000 -0.000 -0.000 3/58956 870.0 3.221 3.221 1.772 -0.000 -0.000 -0.000 3/58956 880.0 3.184 3.184 1.752 -0.000 -0.000 -0.000 3/58956 890.0 3.148 3.148 1.732 -0.000 -0.000 -0.000 3/58956 900.0 3.112 3.112 1.713 -0.000 -0.000 -0.000 3/58956 910.0 3.078 3.078 1.694 -0.000 -0.000 -0.000 3/58956 920.0 3.044 3.044 1.675 -0.000 -0.000 -0.000 3/58956 930.0 3.011 3.011 1.657 -0.000 -0.000 -0.000 3/58956 940.0 2.979 2.979 1.639 -0.000 -0.000 -0.000 3/58956 950.0 2.947 2.947 1.622 -0.000 -0.000 -0.000 3/58956 960.0 2.916 2.916 1.605 -0.000 -0.000 -0.000 3/58956 970.0 2.886 2.886 1.589 -0.000 -0.000 -0.000 3/58956 980.0 2.856 2.856 1.572 -0.000 -0.000 -0.000 3/58956 990.0 2.827 2.827 1.556 -0.000 -0.000 -0.000 3/58956 1000.0 2.799 2.799 1.541 -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 2026-01-07 22:28:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|