----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:19:19]------------------------- 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 1.984360919135250 1.145671310832107 7.576533379999990 b -1.984360919135246 1.145671310832107 7.576533379999990 c 0.000000000000002 -2.291342621664218 7.576533379999990 Atomic positions (fractional): *1 S 0.23007810675188 0.23007810675188 0.23007810675188 32.065 2 S 0.76992189324812 0.76992189324812 0.76992189324812 32.065 *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 3.968721838270495 0.000000000000000 0.000000000000000 b -1.984360919135248 3.437013932496325 0.000000000000000 c 0.000000000000000 0.000000000000000 22.729600139999995 Atomic positions (fractional): *1 S 0.00000000000000 0.00000000000000 0.23007810675188 32.065 > 1 2 S 0.66666666666667 0.33333333333333 0.10325522658145 32.065 > 2 3 S 0.66666666666667 0.33333333333333 0.56341144008522 32.065 > 1 4 S 0.33333333333333 0.66666666666667 0.43658855991479 32.065 > 2 5 S 0.33333333333333 0.66666666666667 0.89674477341855 32.065 > 1 6 S 0.00000000000000 0.00000000000000 0.76992189324812 32.065 > 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 0.33333333333333 0.66666666666667 0.16666666666667 168.934 > 4 11 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 4 12 Tm 0.66666666666667 0.33333333333333 0.83333333333333 168.934 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.906165514811486 0.000000000000000 0.000000000000000 b -5.953082757405744 10.311041797488976 0.000000000000000 c 0.000000000000000 0.000000000000000 22.729600139999995 Atomic positions (fractional): *1 S 0.00000000000000 0.00000000000000 0.23007810675188 32.065 > 1 2 S 0.33333333333333 0.00000000000000 0.23007810675188 32.065 > 1 3 S 0.66666666666667 0.00000000000000 0.23007810675188 32.065 > 1 4 S 0.00000000000000 0.33333333333333 0.23007810675188 32.065 > 1 5 S 0.33333333333333 0.33333333333333 0.23007810675188 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.23007810675188 32.065 > 1 7 S 0.00000000000000 0.66666666666667 0.23007810675188 32.065 > 1 8 S 0.33333333333333 0.66666666666667 0.23007810675188 32.065 > 1 9 S 0.66666666666667 0.66666666666667 0.23007810675188 32.065 > 1 10 S 0.22222222222222 0.11111111111111 0.10325522658145 32.065 > 2 11 S 0.55555555555556 0.11111111111111 0.10325522658145 32.065 > 2 12 S 0.88888888888889 0.11111111111111 0.10325522658145 32.065 > 2 13 S 0.22222222222222 0.44444444444444 0.10325522658145 32.065 > 2 14 S 0.55555555555556 0.44444444444444 0.10325522658145 32.065 > 2 15 S 0.88888888888889 0.44444444444444 0.10325522658145 32.065 > 2 16 S 0.22222222222222 0.77777777777778 0.10325522658145 32.065 > 2 17 S 0.55555555555556 0.77777777777778 0.10325522658145 32.065 > 2 18 S 0.88888888888889 0.77777777777778 0.10325522658145 32.065 > 2 19 S 0.22222222222222 0.11111111111111 0.56341144008522 32.065 > 1 20 S 0.55555555555556 0.11111111111111 0.56341144008522 32.065 > 1 21 S 0.88888888888889 0.11111111111111 0.56341144008522 32.065 > 1 22 S 0.22222222222222 0.44444444444444 0.56341144008522 32.065 > 1 23 S 0.55555555555556 0.44444444444444 0.56341144008522 32.065 > 1 24 S 0.88888888888889 0.44444444444444 0.56341144008522 32.065 > 1 25 S 0.22222222222222 0.77777777777778 0.56341144008522 32.065 > 1 26 S 0.55555555555556 0.77777777777778 0.56341144008522 32.065 > 1 27 S 0.88888888888889 0.77777777777778 0.56341144008522 32.065 > 1 28 S 0.11111111111111 0.22222222222222 0.43658855991479 32.065 > 2 29 S 0.44444444444444 0.22222222222222 0.43658855991479 32.065 > 2 30 S 0.77777777777778 0.22222222222222 0.43658855991479 32.065 > 2 31 S 0.11111111111111 0.55555555555556 0.43658855991479 32.065 > 2 32 S 0.44444444444444 0.55555555555556 0.43658855991479 32.065 > 2 33 S 0.77777777777778 0.55555555555556 0.43658855991479 32.065 > 2 34 S 0.11111111111111 0.88888888888889 0.43658855991479 32.065 > 2 35 S 0.44444444444444 0.88888888888889 0.43658855991479 32.065 > 2 36 S 0.77777777777778 0.88888888888889 0.43658855991479 32.065 > 2 37 S 0.11111111111111 0.22222222222222 0.89674477341855 32.065 > 1 38 S 0.44444444444444 0.22222222222222 0.89674477341855 32.065 > 1 39 S 0.77777777777778 0.22222222222222 0.89674477341855 32.065 > 1 40 S 0.11111111111111 0.55555555555556 0.89674477341855 32.065 > 1 41 S 0.44444444444444 0.55555555555556 0.89674477341855 32.065 > 1 42 S 0.77777777777778 0.55555555555556 0.89674477341855 32.065 > 1 43 S 0.11111111111111 0.88888888888889 0.89674477341855 32.065 > 1 44 S 0.44444444444444 0.88888888888889 0.89674477341855 32.065 > 1 45 S 0.77777777777778 0.88888888888889 0.89674477341855 32.065 > 1 46 S 0.00000000000000 0.00000000000000 0.76992189324812 32.065 > 2 47 S 0.33333333333333 0.00000000000000 0.76992189324812 32.065 > 2 48 S 0.66666666666667 0.00000000000000 0.76992189324812 32.065 > 2 49 S 0.00000000000000 0.33333333333333 0.76992189324812 32.065 > 2 50 S 0.33333333333333 0.33333333333333 0.76992189324812 32.065 > 2 51 S 0.66666666666667 0.33333333333333 0.76992189324812 32.065 > 2 52 S 0.00000000000000 0.66666666666667 0.76992189324812 32.065 > 2 53 S 0.33333333333333 0.66666666666667 0.76992189324812 32.065 > 2 54 S 0.66666666666667 0.66666666666667 0.76992189324812 32.065 > 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 0.11111111111111 0.22222222222222 0.16666666666667 168.934 > 4 83 Tm 0.44444444444444 0.22222222222222 0.16666666666667 168.934 > 4 84 Tm 0.77777777777778 0.22222222222222 0.16666666666667 168.934 > 4 85 Tm 0.11111111111111 0.55555555555556 0.16666666666667 168.934 > 4 86 Tm 0.44444444444444 0.55555555555556 0.16666666666667 168.934 > 4 87 Tm 0.77777777777778 0.55555555555556 0.16666666666667 168.934 > 4 88 Tm 0.11111111111111 0.88888888888889 0.16666666666667 168.934 > 4 89 Tm 0.44444444444444 0.88888888888889 0.16666666666667 168.934 > 4 90 Tm 0.77777777777778 0.88888888888889 0.16666666666667 168.934 > 4 91 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 4 92 Tm 0.33333333333333 0.00000000000000 0.50000000000000 168.934 > 4 93 Tm 0.66666666666667 0.00000000000000 0.50000000000000 168.934 > 4 94 Tm 0.00000000000000 0.33333333333333 0.50000000000000 168.934 > 4 95 Tm 0.33333333333333 0.33333333333333 0.50000000000000 168.934 > 4 96 Tm 0.66666666666667 0.33333333333333 0.50000000000000 168.934 > 4 97 Tm 0.00000000000000 0.66666666666667 0.50000000000000 168.934 > 4 98 Tm 0.33333333333333 0.66666666666667 0.50000000000000 168.934 > 4 99 Tm 0.66666666666667 0.66666666666667 0.50000000000000 168.934 > 4 100 Tm 0.22222222222222 0.11111111111111 0.83333333333333 168.934 > 4 101 Tm 0.55555555555556 0.11111111111111 0.83333333333333 168.934 > 4 102 Tm 0.88888888888889 0.11111111111111 0.83333333333333 168.934 > 4 103 Tm 0.22222222222222 0.44444444444444 0.83333333333333 168.934 > 4 104 Tm 0.55555555555556 0.44444444444444 0.83333333333333 168.934 > 4 105 Tm 0.88888888888889 0.44444444444444 0.83333333333333 168.934 > 4 106 Tm 0.22222222222222 0.77777777777778 0.83333333333333 168.934 > 4 107 Tm 0.55555555555556 0.77777777777778 0.83333333333333 168.934 > 4 108 Tm 0.88888888888889 0.77777777777778 0.83333333333333 168.934 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5579526 0.0000000 0.0000000 0.0000000 5.5579526 0.0000000 0.0000000 0.0000000 4.3649902 -------------------------- Born effective charges -------------------------- 1 S -2.7082044 -0.0000000 0.0000000 0.0000000 -2.7082044 0.0000000 0.0000000 0.0000000 -1.8892943 2 S -2.7082044 -0.0000000 0.0000000 0.0000000 -2.7082044 0.0000000 0.0000000 0.0000000 -1.8892943 3 Rb 1.0535462 0.0000000 0.0000000 0.0000000 1.0535462 0.0000000 0.0000000 0.0000000 1.9285666 4 Tm 4.3628625 0.0000000 0.0000000 0.0000000 4.3628625 0.0000000 0.0000000 0.0000000 1.8500219 ---------------------------------------------------------------------------- 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: 213 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 62 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 54 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (54, 51), data: True |-- (62, 62), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 80 / 80 - Time: 0.185 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.192 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 213 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 62 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 54 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (54, 51), data: True |-- (62, 62), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:19:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:19:23]------------------------- 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 1.984360919135250 1.145671310832107 7.576533379999990 b -1.984360919135246 1.145671310832107 7.576533379999990 c 0.000000000000002 -2.291342621664218 7.576533379999990 Atomic positions (fractional): 1 S 0.23007810675188 0.23007810675188 0.23007810675188 32.065 2 S 0.76992189324812 0.76992189324812 0.76992189324812 32.065 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Tm 0.50000000000000 0.50000000000000 0.50000000000000 168.934 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.906165514811486 0.000000000000000 0.000000000000000 b -5.953082757405744 10.311041797488976 0.000000000000000 c 0.000000000000000 0.000000000000000 22.729600139999995 Atomic positions (fractional): 1 S 0.00000000000000 0.00000000000000 0.23007810675188 32.065 > 1 2 S 0.33333333333333 0.00000000000000 0.23007810675188 32.065 > 1 3 S 0.66666666666667 0.00000000000000 0.23007810675188 32.065 > 1 4 S 0.00000000000000 0.33333333333333 0.23007810675188 32.065 > 1 5 S 0.33333333333333 0.33333333333333 0.23007810675188 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.23007810675188 32.065 > 1 7 S 0.00000000000000 0.66666666666667 0.23007810675188 32.065 > 1 8 S 0.33333333333333 0.66666666666667 0.23007810675188 32.065 > 1 9 S 0.66666666666667 0.66666666666667 0.23007810675188 32.065 > 1 10 S 0.22222222222222 0.11111111111111 0.10325522658145 32.065 > 10 11 S 0.55555555555556 0.11111111111111 0.10325522658145 32.065 > 10 12 S 0.88888888888889 0.11111111111111 0.10325522658145 32.065 > 10 13 S 0.22222222222222 0.44444444444444 0.10325522658145 32.065 > 10 14 S 0.55555555555556 0.44444444444444 0.10325522658145 32.065 > 10 15 S 0.88888888888889 0.44444444444444 0.10325522658145 32.065 > 10 16 S 0.22222222222222 0.77777777777778 0.10325522658145 32.065 > 10 17 S 0.55555555555556 0.77777777777778 0.10325522658145 32.065 > 10 18 S 0.88888888888889 0.77777777777778 0.10325522658145 32.065 > 10 19 S 0.22222222222222 0.11111111111111 0.56341144008522 32.065 > 1 20 S 0.55555555555556 0.11111111111111 0.56341144008522 32.065 > 1 21 S 0.88888888888889 0.11111111111111 0.56341144008522 32.065 > 1 22 S 0.22222222222222 0.44444444444444 0.56341144008522 32.065 > 1 23 S 0.55555555555556 0.44444444444444 0.56341144008522 32.065 > 1 24 S 0.88888888888889 0.44444444444444 0.56341144008522 32.065 > 1 25 S 0.22222222222222 0.77777777777778 0.56341144008522 32.065 > 1 26 S 0.55555555555556 0.77777777777778 0.56341144008522 32.065 > 1 27 S 0.88888888888889 0.77777777777778 0.56341144008522 32.065 > 1 28 S 0.11111111111111 0.22222222222222 0.43658855991479 32.065 > 10 29 S 0.44444444444444 0.22222222222222 0.43658855991479 32.065 > 10 30 S 0.77777777777778 0.22222222222222 0.43658855991479 32.065 > 10 31 S 0.11111111111111 0.55555555555556 0.43658855991479 32.065 > 10 32 S 0.44444444444444 0.55555555555556 0.43658855991479 32.065 > 10 33 S 0.77777777777778 0.55555555555556 0.43658855991479 32.065 > 10 34 S 0.11111111111111 0.88888888888889 0.43658855991479 32.065 > 10 35 S 0.44444444444444 0.88888888888889 0.43658855991479 32.065 > 10 36 S 0.77777777777778 0.88888888888889 0.43658855991479 32.065 > 10 37 S 0.11111111111111 0.22222222222222 0.89674477341855 32.065 > 1 38 S 0.44444444444444 0.22222222222222 0.89674477341855 32.065 > 1 39 S 0.77777777777778 0.22222222222222 0.89674477341855 32.065 > 1 40 S 0.11111111111111 0.55555555555556 0.89674477341855 32.065 > 1 41 S 0.44444444444444 0.55555555555556 0.89674477341855 32.065 > 1 42 S 0.77777777777778 0.55555555555556 0.89674477341855 32.065 > 1 43 S 0.11111111111111 0.88888888888889 0.89674477341855 32.065 > 1 44 S 0.44444444444444 0.88888888888889 0.89674477341855 32.065 > 1 45 S 0.77777777777778 0.88888888888889 0.89674477341855 32.065 > 1 46 S 0.00000000000000 0.00000000000000 0.76992189324812 32.065 > 10 47 S 0.33333333333333 0.00000000000000 0.76992189324812 32.065 > 10 48 S 0.66666666666667 0.00000000000000 0.76992189324812 32.065 > 10 49 S 0.00000000000000 0.33333333333333 0.76992189324812 32.065 > 10 50 S 0.33333333333333 0.33333333333333 0.76992189324812 32.065 > 10 51 S 0.66666666666667 0.33333333333333 0.76992189324812 32.065 > 10 52 S 0.00000000000000 0.66666666666667 0.76992189324812 32.065 > 10 53 S 0.33333333333333 0.66666666666667 0.76992189324812 32.065 > 10 54 S 0.66666666666667 0.66666666666667 0.76992189324812 32.065 > 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 0.11111111111111 0.22222222222222 0.16666666666667 168.934 > 82 83 Tm 0.44444444444444 0.22222222222222 0.16666666666667 168.934 > 82 84 Tm 0.77777777777778 0.22222222222222 0.16666666666667 168.934 > 82 85 Tm 0.11111111111111 0.55555555555556 0.16666666666667 168.934 > 82 86 Tm 0.44444444444444 0.55555555555556 0.16666666666667 168.934 > 82 87 Tm 0.77777777777778 0.55555555555556 0.16666666666667 168.934 > 82 88 Tm 0.11111111111111 0.88888888888889 0.16666666666667 168.934 > 82 89 Tm 0.44444444444444 0.88888888888889 0.16666666666667 168.934 > 82 90 Tm 0.77777777777778 0.88888888888889 0.16666666666667 168.934 > 82 91 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 82 92 Tm 0.33333333333333 0.00000000000000 0.50000000000000 168.934 > 82 93 Tm 0.66666666666667 0.00000000000000 0.50000000000000 168.934 > 82 94 Tm 0.00000000000000 0.33333333333333 0.50000000000000 168.934 > 82 95 Tm 0.33333333333333 0.33333333333333 0.50000000000000 168.934 > 82 96 Tm 0.66666666666667 0.33333333333333 0.50000000000000 168.934 > 82 97 Tm 0.00000000000000 0.66666666666667 0.50000000000000 168.934 > 82 98 Tm 0.33333333333333 0.66666666666667 0.50000000000000 168.934 > 82 99 Tm 0.66666666666667 0.66666666666667 0.50000000000000 168.934 > 82 100 Tm 0.22222222222222 0.11111111111111 0.83333333333333 168.934 > 82 101 Tm 0.55555555555556 0.11111111111111 0.83333333333333 168.934 > 82 102 Tm 0.88888888888889 0.11111111111111 0.83333333333333 168.934 > 82 103 Tm 0.22222222222222 0.44444444444444 0.83333333333333 168.934 > 82 104 Tm 0.55555555555556 0.44444444444444 0.83333333333333 168.934 > 82 105 Tm 0.88888888888889 0.44444444444444 0.83333333333333 168.934 > 82 106 Tm 0.22222222222222 0.77777777777778 0.83333333333333 168.934 > 82 107 Tm 0.55555555555556 0.77777777777778 0.83333333333333 168.934 > 82 108 Tm 0.88888888888889 0.77777777777778 0.83333333333333 168.934 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5579526 0.0000000 0.0000000 0.0000000 5.5579526 0.0000000 0.0000000 0.0000000 4.3649902 -------------------------- Born effective charges -------------------------- 1 S -2.7082044 -0.0000000 0.0000000 0.0000000 -2.7082044 0.0000000 0.0000000 0.0000000 -1.8892943 2 S -2.7082044 -0.0000000 0.0000000 0.0000000 -2.7082044 0.0000000 0.0000000 0.0000000 -1.8892943 3 Rb 1.0535462 0.0000000 0.0000000 0.0000000 1.0535462 0.0000000 0.0000000 0.0000000 1.9285666 4 Tm 4.3628625 0.0000000 0.0000000 0.0000000 4.3628625 0.0000000 0.0000000 0.0000000 1.8500219 ---------------------------------------------------------------------------- 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 (zxx) 0.00000000 (zxx) 0.00000000 (zxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:19:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:19:29]------------------------- 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 1.984360919135250 1.145671310832107 7.576533379999990 b -1.984360919135246 1.145671310832107 7.576533379999990 c 0.000000000000002 -2.291342621664218 7.576533379999990 Atomic positions (fractional): 1 S 0.23007810675188 0.23007810675188 0.23007810675188 32.065 2 S 0.76992189324812 0.76992189324812 0.76992189324812 32.065 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Tm 0.50000000000000 0.50000000000000 0.50000000000000 168.934 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.906165514811486 0.000000000000000 0.000000000000000 b -5.953082757405744 10.311041797488976 0.000000000000000 c 0.000000000000000 0.000000000000000 22.729600139999995 Atomic positions (fractional): 1 S 0.00000000000000 0.00000000000000 0.23007810675188 32.065 > 1 2 S 0.33333333333333 0.00000000000000 0.23007810675188 32.065 > 1 3 S 0.66666666666667 0.00000000000000 0.23007810675188 32.065 > 1 4 S 0.00000000000000 0.33333333333333 0.23007810675188 32.065 > 1 5 S 0.33333333333333 0.33333333333333 0.23007810675188 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.23007810675188 32.065 > 1 7 S 0.00000000000000 0.66666666666667 0.23007810675188 32.065 > 1 8 S 0.33333333333333 0.66666666666667 0.23007810675188 32.065 > 1 9 S 0.66666666666667 0.66666666666667 0.23007810675188 32.065 > 1 10 S 0.22222222222222 0.11111111111111 0.10325522658145 32.065 > 10 11 S 0.55555555555556 0.11111111111111 0.10325522658145 32.065 > 10 12 S 0.88888888888889 0.11111111111111 0.10325522658145 32.065 > 10 13 S 0.22222222222222 0.44444444444444 0.10325522658145 32.065 > 10 14 S 0.55555555555556 0.44444444444444 0.10325522658145 32.065 > 10 15 S 0.88888888888889 0.44444444444444 0.10325522658145 32.065 > 10 16 S 0.22222222222222 0.77777777777778 0.10325522658145 32.065 > 10 17 S 0.55555555555556 0.77777777777778 0.10325522658145 32.065 > 10 18 S 0.88888888888889 0.77777777777778 0.10325522658145 32.065 > 10 19 S 0.22222222222222 0.11111111111111 0.56341144008522 32.065 > 1 20 S 0.55555555555556 0.11111111111111 0.56341144008522 32.065 > 1 21 S 0.88888888888889 0.11111111111111 0.56341144008522 32.065 > 1 22 S 0.22222222222222 0.44444444444444 0.56341144008522 32.065 > 1 23 S 0.55555555555556 0.44444444444444 0.56341144008522 32.065 > 1 24 S 0.88888888888889 0.44444444444444 0.56341144008522 32.065 > 1 25 S 0.22222222222222 0.77777777777778 0.56341144008522 32.065 > 1 26 S 0.55555555555556 0.77777777777778 0.56341144008522 32.065 > 1 27 S 0.88888888888889 0.77777777777778 0.56341144008522 32.065 > 1 28 S 0.11111111111111 0.22222222222222 0.43658855991479 32.065 > 10 29 S 0.44444444444444 0.22222222222222 0.43658855991479 32.065 > 10 30 S 0.77777777777778 0.22222222222222 0.43658855991479 32.065 > 10 31 S 0.11111111111111 0.55555555555556 0.43658855991479 32.065 > 10 32 S 0.44444444444444 0.55555555555556 0.43658855991479 32.065 > 10 33 S 0.77777777777778 0.55555555555556 0.43658855991479 32.065 > 10 34 S 0.11111111111111 0.88888888888889 0.43658855991479 32.065 > 10 35 S 0.44444444444444 0.88888888888889 0.43658855991479 32.065 > 10 36 S 0.77777777777778 0.88888888888889 0.43658855991479 32.065 > 10 37 S 0.11111111111111 0.22222222222222 0.89674477341855 32.065 > 1 38 S 0.44444444444444 0.22222222222222 0.89674477341855 32.065 > 1 39 S 0.77777777777778 0.22222222222222 0.89674477341855 32.065 > 1 40 S 0.11111111111111 0.55555555555556 0.89674477341855 32.065 > 1 41 S 0.44444444444444 0.55555555555556 0.89674477341855 32.065 > 1 42 S 0.77777777777778 0.55555555555556 0.89674477341855 32.065 > 1 43 S 0.11111111111111 0.88888888888889 0.89674477341855 32.065 > 1 44 S 0.44444444444444 0.88888888888889 0.89674477341855 32.065 > 1 45 S 0.77777777777778 0.88888888888889 0.89674477341855 32.065 > 1 46 S 0.00000000000000 0.00000000000000 0.76992189324812 32.065 > 10 47 S 0.33333333333333 0.00000000000000 0.76992189324812 32.065 > 10 48 S 0.66666666666667 0.00000000000000 0.76992189324812 32.065 > 10 49 S 0.00000000000000 0.33333333333333 0.76992189324812 32.065 > 10 50 S 0.33333333333333 0.33333333333333 0.76992189324812 32.065 > 10 51 S 0.66666666666667 0.33333333333333 0.76992189324812 32.065 > 10 52 S 0.00000000000000 0.66666666666667 0.76992189324812 32.065 > 10 53 S 0.33333333333333 0.66666666666667 0.76992189324812 32.065 > 10 54 S 0.66666666666667 0.66666666666667 0.76992189324812 32.065 > 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 0.11111111111111 0.22222222222222 0.16666666666667 168.934 > 82 83 Tm 0.44444444444444 0.22222222222222 0.16666666666667 168.934 > 82 84 Tm 0.77777777777778 0.22222222222222 0.16666666666667 168.934 > 82 85 Tm 0.11111111111111 0.55555555555556 0.16666666666667 168.934 > 82 86 Tm 0.44444444444444 0.55555555555556 0.16666666666667 168.934 > 82 87 Tm 0.77777777777778 0.55555555555556 0.16666666666667 168.934 > 82 88 Tm 0.11111111111111 0.88888888888889 0.16666666666667 168.934 > 82 89 Tm 0.44444444444444 0.88888888888889 0.16666666666667 168.934 > 82 90 Tm 0.77777777777778 0.88888888888889 0.16666666666667 168.934 > 82 91 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 82 92 Tm 0.33333333333333 0.00000000000000 0.50000000000000 168.934 > 82 93 Tm 0.66666666666667 0.00000000000000 0.50000000000000 168.934 > 82 94 Tm 0.00000000000000 0.33333333333333 0.50000000000000 168.934 > 82 95 Tm 0.33333333333333 0.33333333333333 0.50000000000000 168.934 > 82 96 Tm 0.66666666666667 0.33333333333333 0.50000000000000 168.934 > 82 97 Tm 0.00000000000000 0.66666666666667 0.50000000000000 168.934 > 82 98 Tm 0.33333333333333 0.66666666666667 0.50000000000000 168.934 > 82 99 Tm 0.66666666666667 0.66666666666667 0.50000000000000 168.934 > 82 100 Tm 0.22222222222222 0.11111111111111 0.83333333333333 168.934 > 82 101 Tm 0.55555555555556 0.11111111111111 0.83333333333333 168.934 > 82 102 Tm 0.88888888888889 0.11111111111111 0.83333333333333 168.934 > 82 103 Tm 0.22222222222222 0.44444444444444 0.83333333333333 168.934 > 82 104 Tm 0.55555555555556 0.44444444444444 0.83333333333333 168.934 > 82 105 Tm 0.88888888888889 0.44444444444444 0.83333333333333 168.934 > 82 106 Tm 0.22222222222222 0.77777777777778 0.83333333333333 168.934 > 82 107 Tm 0.55555555555556 0.77777777777778 0.83333333333333 168.934 > 82 108 Tm 0.88888888888889 0.77777777777778 0.83333333333333 168.934 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.5579526 0.0000000 0.0000000 0.0000000 5.5579526 0.0000000 0.0000000 0.0000000 4.3649902 -------------------------- Born effective charges -------------------------- 1 S -2.7082044 -0.0000000 0.0000000 0.0000000 -2.7082044 0.0000000 0.0000000 0.0000000 -1.8892943 2 S -2.7082044 -0.0000000 0.0000000 0.0000000 -2.7082044 0.0000000 0.0000000 0.0000000 -1.8892943 3 Rb 1.0535462 0.0000000 0.0000000 0.0000000 1.0535462 0.0000000 0.0000000 0.0000000 1.9285666 4 Tm 4.3628625 0.0000000 0.0000000 0.0000000 4.3628625 0.0000000 0.0000000 0.0000000 1.8500219 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zxx) 0.00000000 (zxx) 0.00000000 (zxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 15 15 15 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.88, Number of G-points: 301, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/344) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 344 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 2.150 ( 0.000 0.000 0.000) 0.000 2.150 ( 0.000 0.000 0.000) 0.000 3.657 ( 0.000 0.000 0.000) 0.000 5.290 ( 0.000 0.000 0.000) 0.000 5.290 ( 0.000 0.000 0.000) 0.000 6.510 ( 0.000 0.000 0.000) 0.000 6.510 ( 0.000 0.000 0.000) 0.000 7.156 ( 0.000 0.000 0.000) 0.000 8.313 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/344) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( 18.750 10.825 -5.099) 22.243 0.427 ( 19.570 11.299 -3.999) 22.949 0.854 ( 35.797 20.667 13.526) 43.491 2.156 ( 0.501 0.289 0.658) 0.876 2.198 ( 4.405 2.543 -1.975) 5.456 3.632 ( -2.677 -1.546 1.162) 3.302 5.318 ( 2.425 1.400 0.459) 2.838 6.490 ( -1.894 -1.094 0.215) 2.198 6.495 ( -1.282 -0.740 -0.214) 1.496 7.144 ( 3.968 2.291 -18.258) 18.824 8.228 ( -6.906 -3.987 1.936) 8.206 8.558 ( 0.404 0.233 0.503) 0.686 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 18.551 10.710 -5.062) 22.011 0.851 ( 19.451 11.230 -5.758) 23.186 1.666 ( 32.835 18.957 12.263) 39.849 2.175 ( 0.941 0.544 1.354) 1.736 2.323 ( 7.295 4.212 -4.425) 9.515 3.552 ( -4.394 -2.537 0.093) 5.075 5.401 ( 4.805 2.774 0.765) 5.601 6.423 ( -4.068 -2.348 0.062) 4.697 6.456 ( -1.926 -1.112 -0.380) 2.257 7.198 ( 3.933 2.271 -6.324) 7.786 8.047 ( -9.422 -5.440 2.086) 11.078 8.538 ( -1.951 -1.126 -3.246) 3.951 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 17.459 10.080 -5.135) 20.803 1.257 ( 18.436 10.644 -7.818) 22.678 2.206 ( 1.315 0.759 2.125) 2.612 2.336 ( 19.211 11.092 9.683) 24.205 2.521 ( 15.739 9.087 -7.024) 19.484 3.449 ( -4.801 -2.772 2.908) 6.260 5.535 ( 6.818 3.936 0.853) 7.919 6.320 ( -4.739 -2.736 -0.449) 5.490 6.414 ( -1.626 -0.939 -0.462) 1.934 7.270 ( 2.940 1.697 -0.372) 3.415 7.827 ( -10.585 -6.111 1.245) 12.286 8.458 ( -3.714 -2.144 -5.522) 6.991 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 14.903 8.604 -5.328) 18.015 1.623 ( 16.321 9.423 -9.353) 21.039 2.247 ( 1.721 0.994 2.953) 3.559 2.553 ( 5.604 3.235 -1.539) 6.651 2.951 ( 14.823 8.558 -2.563) 17.306 3.400 ( 1.130 0.652 9.613) 9.701 5.703 ( 7.793 4.499 0.753) 9.030 6.229 ( -2.667 -1.540 -1.098) 3.270 6.387 ( -0.544 -0.314 -0.446) 0.770 7.306 ( -0.553 -0.319 3.472) 3.530 7.583 ( -11.025 -6.365 -1.270) 12.794 8.362 ( -2.757 -1.592 -5.819) 6.633 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 10.699 6.177 -5.238) 13.419 1.929 ( 13.452 7.767 -9.583) 18.252 2.302 ( 2.321 1.340 3.476) 4.389 2.648 ( 3.651 2.108 -2.657) 4.983 3.049 ( -2.553 -1.474 2.497) 3.863 3.597 ( 10.584 6.111 6.644) 13.911 5.875 ( 7.023 4.055 0.528) 8.127 6.210 ( 1.501 0.866 -1.665) 2.403 6.389 ( 0.795 0.459 -0.328) 0.974 7.229 ( -9.181 -5.301 6.420) 12.394 7.360 ( -6.152 -3.552 -5.665) 9.086 8.316 ( -0.061 -0.035 -3.724) 3.725 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 5.679 3.279 -3.882) 7.621 2.168 ( 10.138 5.853 -7.995) 14.175 2.368 ( 2.596 1.499 2.779) 4.087 2.698 ( 1.147 0.662 -1.861) 2.284 2.974 ( -4.169 -2.407 6.198) 7.848 3.803 ( 6.226 3.595 2.124) 7.496 6.008 ( 4.545 2.624 0.259) 5.255 6.288 ( 5.803 3.350 -1.919) 6.970 6.416 ( 1.547 0.893 -0.152) 1.793 6.973 ( -12.868 -7.430 2.210) 15.023 7.261 ( -2.745 -1.585 -2.512) 4.045 8.327 ( 1.287 0.743 -1.412) 2.050 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 1.638 0.946 -1.358) 2.329 2.325 ( 4.778 2.758 -3.769) 6.682 2.420 ( 1.197 0.691 0.980) 1.694 2.685 ( -1.370 -0.791 0.156) 1.590 2.927 ( -1.149 -0.664 2.907) 3.196 3.893 ( 1.774 1.024 0.323) 2.074 6.076 ( 1.489 0.860 0.064) 1.721 6.445 ( 0.816 0.471 -0.032) 0.942 6.448 ( 8.466 4.888 -1.600) 9.906 6.704 ( -10.937 -6.314 1.250) 12.690 7.214 ( -1.011 -0.584 -0.772) 1.399 8.349 ( 0.678 0.392 -0.276) 0.831 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 0.000 21.000 14.044) 25.263 0.509 ( 0.000 23.000 10.758) 25.392 0.806 ( 0.000 39.528 5.032) 39.847 2.142 ( -0.000 0.011 -2.493) 2.493 2.207 ( -0.000 5.689 -0.046) 5.690 3.635 ( 0.000 -4.243 1.663) 4.557 5.314 ( -0.000 2.616 -0.459) 2.656 6.488 ( -0.000 -2.264 -0.304) 2.285 6.497 ( 0.000 -1.385 0.267) 1.410 7.055 ( -0.000 11.573 -35.012) 36.875 8.236 ( 0.000 -8.006 3.119) 8.593 8.574 ( 0.000 -0.046 3.479) 3.479 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 2.990 18.428 10.787) 21.561 0.885 ( 7.255 25.364 -1.429) 26.419 1.440 ( 24.158 29.605 10.844) 39.720 2.155 ( 2.091 0.119 -2.286) 3.100 2.289 ( 2.229 7.619 -1.695) 8.117 3.571 ( -2.125 -4.684 -1.166) 5.274 5.370 ( 2.850 3.839 0.027) 4.781 6.444 ( -1.898 -3.654 -0.264) 4.126 6.472 ( -1.161 -1.470 0.110) 1.876 7.117 ( 4.941 5.369 -16.912) 18.419 8.112 ( -5.308 -9.025 3.449) 11.024 8.559 ( -2.154 -0.457 -0.633) 2.291 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 12.208 13.936 3.744) 18.902 1.241 ( 8.065 23.055 -4.950) 24.922 2.128 ( 20.762 17.424 7.955) 28.247 2.205 ( 5.212 4.103 2.017) 6.934 2.420 ( 5.654 9.791 -5.523) 12.583 3.477 ( -2.683 -5.088 -0.137) 5.754 5.481 ( 5.063 5.141 0.539) 7.235 6.355 ( -3.623 -4.308 -0.432) 5.645 6.437 ( -1.600 -0.498 -0.187) 1.686 7.209 ( 5.219 2.566 -6.986) 9.090 7.920 ( -8.096 -8.902 3.057) 12.415 8.486 ( -4.056 -2.022 -3.764) 5.892 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 14.446 10.763 -0.717) 18.029 1.568 ( 8.386 19.213 -6.672) 22.000 2.247 ( 1.999 2.751 0.650) 3.462 2.482 ( 5.990 3.819 -0.550) 7.125 2.793 ( 17.244 17.339 -0.629) 24.462 3.406 ( -0.264 -3.584 5.233) 6.348 5.638 ( 6.537 6.203 0.786) 9.046 6.253 ( -3.262 -3.363 -0.888) 4.768 6.413 ( -1.524 1.227 -0.414) 1.999 7.286 ( 3.358 0.240 -1.727) 3.783 7.690 ( -9.975 -8.623 1.893) 13.320 8.377 ( -3.919 -2.707 -5.315) 7.137 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 13.061 7.958 -3.261) 15.638 1.851 ( 7.812 15.063 -7.487) 18.547 2.313 ( 1.294 4.262 2.077) 4.914 2.590 ( 4.525 2.172 -2.813) 5.754 3.061 ( 2.106 3.156 -0.945) 3.910 3.508 ( 9.283 4.915 8.437) 13.473 5.815 ( 6.563 6.563 0.828) 9.318 6.194 ( -0.337 -1.057 -1.431) 1.810 6.410 ( -1.017 2.988 -0.526) 3.200 7.302 ( -0.836 -1.684 1.454) 2.377 7.430 ( -10.998 -8.233 -1.140) 13.785 8.296 ( -0.769 -2.203 -4.316) 4.906 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 9.087 5.545 -3.732) 11.281 2.078 ( 6.971 10.890 -7.417) 14.906 2.384 ( 0.854 5.182 2.686) 5.898 2.664 ( 3.138 1.125 -2.311) 4.056 3.037 ( -3.665 -1.808 3.874) 5.631 3.736 ( 7.736 4.843 3.873) 9.914 5.976 ( 4.715 6.043 0.687) 7.695 6.221 ( 3.869 1.448 -1.815) 4.512 6.432 ( -0.382 4.001 -0.493) 4.049 7.133 ( -13.319 -6.904 2.206) 15.164 7.272 ( -1.651 -2.529 -2.964) 4.232 8.284 ( 2.300 -1.745 -1.992) 3.507 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 3.710 3.792 -2.555) 5.888 2.256 ( 6.143 6.738 -5.811) 10.812 2.448 ( -0.337 4.882 2.169) 5.352 2.694 ( 0.242 0.127 -1.136) 1.168 2.967 ( -3.529 -1.326 3.900) 5.424 3.867 ( 3.375 1.721 1.710) 4.156 6.085 ( 1.464 5.104 0.381) 5.323 6.330 ( 6.904 1.916 -1.614) 7.344 6.470 ( 0.437 4.599 -0.480) 4.645 6.853 ( -12.749 -5.466 0.849) 13.897 7.222 ( -1.260 -1.121 -1.171) 2.053 8.309 ( 2.854 -2.088 -0.519) 3.574 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -0.409 1.937 -0.564) 2.058 2.357 ( 0.970 1.878 -1.148) 2.406 2.468 ( -2.593 3.242 0.791) 4.227 2.685 ( -0.567 0.989 -0.374) 1.200 2.925 ( -1.362 -0.014 -0.789) 1.575 3.905 ( -0.036 -0.415 1.391) 1.452 6.123 ( -2.156 3.579 0.055) 4.179 6.413 ( 1.791 -2.373 -0.069) 2.974 6.550 ( -0.303 2.683 -0.364) 2.724 6.651 ( -2.901 2.725 0.191) 3.985 7.207 ( 0.266 0.116 0.142) 0.323 8.324 ( 1.775 -2.878 0.059) 3.382 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -3.994 -1.087 1.953) 4.577 2.304 ( -7.072 -1.812 4.935) 8.812 2.432 ( -4.723 2.324 -1.424) 5.453 2.702 ( 0.538 0.385 0.625) 0.910 2.923 ( 1.768 2.103 -6.067) 6.660 3.862 ( -4.206 -2.203 0.630) 4.790 6.083 ( -5.210 1.059 -0.225) 5.322 6.344 ( -4.679 -4.919 1.497) 6.952 6.475 ( -4.470 2.114 0.510) 4.971 6.841 ( 10.900 8.317 -1.812) 13.829 7.234 ( 2.217 0.687 1.560) 2.797 8.315 ( 0.771 -3.335 0.787) 3.512 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -8.537 -5.601 4.498) 11.157 2.144 ( -11.946 -1.412 7.307) 14.075 2.359 ( -5.222 2.104 -2.999) 6.379 2.682 ( -2.121 -2.272 1.974) 3.682 2.994 ( 4.838 3.533 -5.841) 8.367 3.709 ( -10.230 -4.627 -2.262) 11.453 5.971 ( -7.610 -1.310 -0.481) 7.737 6.237 ( -3.245 -2.689 1.780) 4.575 6.436 ( -3.368 2.568 0.465) 4.261 7.102 ( 10.957 7.543 -4.512) 14.047 7.303 ( 4.537 0.613 3.747) 5.916 8.304 ( 1.224 -2.565 2.457) 3.757 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -13.238 -9.033 5.475) 16.936 1.918 ( -16.470 -0.370 7.663) 18.169 2.289 ( -4.211 1.854 -3.143) 5.572 2.608 ( -4.127 -3.276 1.349) 5.439 3.075 ( -0.808 1.659 1.914) 2.659 3.431 ( -11.795 -6.051 -8.705) 15.859 5.808 ( -8.964 -2.530 -0.663) 9.338 6.207 ( 0.875 -0.368 1.344) 1.645 6.415 ( -2.145 2.472 0.485) 3.309 7.266 ( 3.749 2.464 -5.896) 7.409 7.455 ( 10.378 3.019 3.659) 11.411 8.335 ( 3.230 -0.496 4.386) 5.469 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -16.703 -10.237 4.740) 20.156 1.630 ( -20.680 0.988 7.097) 21.886 2.234 ( -3.138 1.014 -2.258) 3.997 2.472 ( -8.851 -4.598 -2.234) 10.221 2.813 ( -24.365 -6.253 3.408) 25.385 3.356 ( 6.206 0.479 -5.862) 8.550 5.631 ( -8.641 -2.491 -0.692) 9.020 6.260 ( 4.336 1.020 0.677) 4.505 6.416 ( -0.341 1.864 0.406) 1.938 7.281 ( -0.525 -0.686 -2.748) 2.881 7.684 ( 11.604 3.385 0.429) 12.095 8.421 ( 4.599 1.098 4.515) 6.537 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -18.633 -8.472 3.019) 20.690 1.288 ( -23.942 2.169 5.429) 24.645 2.059 ( -30.932 -8.009 -6.167) 32.541 2.194 ( -2.386 0.120 -1.534) 2.839 2.459 ( -11.791 -2.185 3.329) 12.445 3.473 ( 6.758 0.926 -1.024) 6.898 5.477 ( -6.984 -1.498 -0.495) 7.160 6.358 ( 5.408 0.974 0.137) 5.497 6.439 ( 1.215 0.934 0.235) 1.550 7.241 ( -2.327 -1.007 0.043) 2.536 7.904 ( 11.242 2.203 -0.502) 11.467 8.515 ( 3.547 0.954 2.553) 4.473 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -19.052 0.000 0.000) 19.052 0.895 ( -25.762 0.000 0.000) 25.762 1.389 ( -39.419 0.000 0.000) 39.419 2.165 ( -1.102 0.000 0.000) 1.102 2.296 ( -7.843 0.000 0.000) 7.843 3.576 ( 4.808 -0.000 -0.000) 4.808 5.369 ( -4.732 0.000 0.000) 4.732 6.445 ( 4.095 -0.000 -0.000) 4.095 6.471 ( 1.831 -0.000 -0.000) 1.831 7.196 ( -2.261 0.000 0.000) 2.261 8.095 ( 10.122 -0.000 -0.000) 10.122 8.561 ( 0.905 -0.000 -0.000) 0.905 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 0.000 20.437 12.619) 24.019 1.015 ( 0.000 23.047 9.003) 24.743 1.579 ( 0.000 36.616 5.014) 36.958 2.121 ( -0.000 0.019 -4.737) 4.737 2.357 ( -0.000 9.764 -0.758) 9.794 3.527 ( -0.000 -6.444 -2.629) 6.960 5.388 ( -0.000 5.389 -0.638) 5.427 6.419 ( -0.000 -4.495 -0.448) 4.517 6.463 ( 0.000 -2.123 0.388) 2.158 7.081 ( -0.000 6.560 -17.072) 18.289 8.068 ( 0.000 -10.900 3.534) 11.458 8.575 ( 0.000 -1.185 0.355) 1.237 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -3.519 20.874 12.744) 24.709 1.348 ( 5.597 22.130 1.092) 22.853 2.061 ( 12.972 25.922 5.173) 29.445 2.144 ( 4.766 2.061 -2.647) 5.828 2.466 ( 1.327 12.601 -2.746) 12.964 3.442 ( -0.882 -7.301 -2.370) 7.727 5.470 ( 2.925 6.629 -0.172) 7.248 6.355 ( -1.894 -4.923 -0.387) 5.289 6.443 ( -0.151 -1.416 0.212) 1.440 7.128 ( 3.964 3.665 -11.321) 12.542 7.935 ( -4.004 -10.961 3.378) 12.148 8.528 ( -3.507 -2.119 -1.237) 4.280 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 2.573 18.402 8.611) 20.480 1.634 ( 5.002 19.519 -3.556) 20.461 2.210 ( 5.149 2.664 -3.767) 6.914 2.441 ( 5.163 6.894 2.781) 9.051 2.735 ( 11.784 22.660 -2.015) 25.620 3.364 ( 0.645 -6.431 1.855) 6.725 5.609 ( 5.066 7.726 0.585) 9.257 6.266 ( -2.852 -4.076 -0.654) 5.017 6.438 ( -0.028 0.699 -0.209) 0.730 7.200 ( 4.996 0.214 -6.472) 8.179 7.750 ( -6.818 -10.196 3.183) 12.672 8.418 ( -5.429 -2.846 -3.146) 6.890 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 5.781 14.230 3.714) 15.802 1.879 ( 5.139 16.090 -5.185) 17.668 2.322 ( 4.178 5.066 -1.042) 6.649 2.541 ( 2.831 3.175 -1.414) 4.483 3.048 ( 4.392 7.384 -3.767) 9.381 3.423 ( 8.465 3.684 7.736) 12.045 5.785 ( 5.956 8.327 1.204) 10.309 6.193 ( -1.645 -1.926 -1.194) 2.800 6.455 ( -0.175 3.327 -0.749) 3.415 7.247 ( 3.557 -2.644 -4.261) 6.148 7.530 ( -9.319 -8.841 3.075) 13.209 8.295 ( -3.914 -3.006 -3.675) 6.153 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 6.584 10.288 0.421) 12.221 2.083 ( 4.342 12.549 -5.451) 14.354 2.432 ( 1.921 6.773 1.166) 7.136 2.611 ( 3.379 1.571 -1.674) 4.085 3.073 ( -1.163 -1.178 0.853) 1.862 3.663 ( 8.535 6.432 3.885) 11.372 5.964 ( 5.140 7.807 1.549) 9.474 6.181 ( 1.606 0.851 -1.738) 2.514 6.488 ( -0.628 5.128 -1.194) 5.302 7.230 ( -1.195 -5.521 -5.907) 8.173 7.297 ( -9.359 -4.902 4.751) 11.584 8.225 ( 0.334 -3.121 -2.318) 3.902 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 4.782 7.590 -0.834) 9.009 2.235 ( 3.485 8.628 -4.919) 10.525 2.517 ( -0.145 6.129 2.305) 6.550 2.670 ( 2.513 0.790 -1.087) 2.850 3.033 ( -3.239 0.079 2.467) 4.072 3.821 ( 4.685 2.106 1.446) 5.336 6.108 ( 3.139 6.401 1.304) 7.247 6.250 ( 4.612 2.735 -1.693) 5.623 6.521 ( -0.888 4.996 -1.397) 5.263 7.015 ( -11.653 -4.738 -0.535) 12.591 7.226 ( -0.981 -1.353 -0.337) 1.705 8.222 ( 3.296 -3.818 -0.784) 5.105 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 0.597 5.394 -0.829) 5.490 2.344 ( 2.897 4.825 -3.212) 6.480 2.548 ( -2.233 2.712 2.269) 4.182 2.701 ( 0.475 0.996 -0.495) 1.209 2.986 ( -4.533 3.227 0.076) 5.565 3.886 ( 2.220 -0.917 1.570) 2.870 6.195 ( -0.360 5.260 0.607) 5.307 6.347 ( 4.146 0.667 -0.816) 4.278 6.555 ( 1.112 3.127 -1.278) 3.557 6.804 ( -10.255 1.514 0.530) 10.380 7.209 ( -0.288 0.122 -0.213) 0.378 8.240 ( 3.585 -4.800 -0.105) 5.992 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -3.623 2.266 0.289) 4.283 2.383 ( -1.834 0.968 0.761) 2.209 2.525 ( -3.023 1.938 0.132) 3.593 2.706 ( -0.325 0.081 0.154) 0.369 2.949 ( -3.670 5.064 -4.009) 7.429 3.892 ( -0.718 -1.977 2.184) 3.032 6.188 ( -4.858 2.395 -0.099) 5.417 6.359 ( -1.455 -2.908 0.517) 3.293 6.573 ( -2.501 1.425 0.585) 2.937 6.789 ( 3.025 9.606 -1.037) 10.125 7.216 ( 0.828 0.417 0.616) 1.113 8.243 ( 2.765 -5.325 0.307) 6.008 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -7.632 -1.976 2.054) 8.147 2.316 ( -7.076 0.250 3.879) 8.073 2.478 ( -5.424 3.187 -1.757) 6.532 2.688 ( -0.884 -2.530 1.109) 2.900 2.957 ( 0.971 4.953 -6.003) 7.843 3.819 ( -6.524 -2.674 1.140) 7.142 6.092 ( -7.341 -0.119 -0.378) 7.351 6.277 ( -4.067 -2.802 1.225) 5.088 6.542 ( -4.435 4.108 0.976) 6.123 6.992 ( 9.414 8.412 -2.826) 12.937 7.249 ( 2.731 -0.538 1.946) 3.396 8.240 ( 2.714 -4.514 1.200) 5.402 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -11.792 -4.341 3.130) 12.950 2.173 ( -11.727 0.356 4.080) 12.421 2.403 ( -6.480 3.459 -1.929) 7.594 2.634 ( -2.399 -3.285 1.054) 4.202 3.040 ( 5.258 3.464 -3.106) 7.021 3.610 ( -14.670 -3.871 -1.552) 15.252 5.945 ( -9.198 -1.002 -0.475) 9.264 6.208 ( -1.671 -1.285 1.123) 2.389 6.505 ( -4.622 3.452 0.681) 5.809 7.201 ( 6.597 5.594 -5.920) 10.482 7.323 ( 7.431 -1.084 4.440) 8.724 8.268 ( 4.140 -2.232 2.284) 5.228 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -16.196 -3.797 2.298) 16.793 1.957 ( -15.577 0.475 2.998) 15.870 2.320 ( -5.782 1.936 -1.181) 6.211 2.549 ( -4.900 -2.417 0.047) 5.464 3.145 ( -4.587 3.076 6.725) 8.702 3.271 ( -11.113 -4.845 -9.021) 15.112 5.770 ( -9.940 -0.965 -0.344) 9.993 6.209 ( 2.200 -0.028 0.543) 2.266 6.464 ( -3.120 1.671 0.309) 3.553 7.266 ( 1.084 0.454 -2.437) 2.705 7.510 ( 11.789 1.117 1.098) 11.893 8.348 ( 5.626 -0.193 2.055) 5.992 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -19.046 0.000 0.000) 19.046 1.672 ( -19.570 0.000 0.000) 19.570 2.244 ( -4.008 0.000 0.000) 4.008 2.402 ( -12.840 0.000 0.000) 12.840 2.764 ( -25.755 0.000 0.000) 25.755 3.344 ( 8.548 -0.000 -0.000) 8.548 5.604 ( -8.973 0.000 0.000) 8.973 6.273 ( 4.863 -0.000 -0.000) 4.863 6.440 ( -0.762 0.000 0.000) 0.762 7.263 ( -0.937 0.000 0.000) 0.937 7.718 ( 11.876 -0.000 -0.000) 11.876 8.447 ( 5.363 -0.000 -0.000) 5.363 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 0.000 18.953 10.612) 21.722 1.497 ( 0.000 21.510 6.479) 22.465 2.089 ( -0.000 0.065 -6.454) 6.455 2.239 ( 0.000 25.344 5.336) 25.899 2.586 ( -0.000 16.953 -3.839) 17.382 3.361 ( -0.000 -8.747 -2.426) 9.077 5.515 ( -0.000 7.990 -0.436) 8.002 6.324 ( 0.000 -4.601 -0.045) 4.601 6.425 ( 0.000 -1.906 0.294) 1.928 7.094 ( -0.000 2.807 -10.695) 11.057 7.866 ( 0.000 -11.573 2.888) 11.927 8.535 ( -0.000 -2.700 -0.585) 2.763 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -3.868 18.903 11.227) 22.324 1.745 ( 2.762 17.928 0.482) 18.146 2.121 ( 5.472 1.662 -5.945) 8.249 2.466 ( 2.542 9.852 2.584) 10.497 2.814 ( 5.056 23.687 -5.112) 24.754 3.282 ( 1.204 -7.297 2.001) 7.662 5.623 ( 2.995 8.923 0.129) 9.413 6.267 ( -1.826 -3.501 -0.073) 3.949 6.423 ( 1.431 -0.639 0.056) 1.568 7.108 ( 2.978 -0.124 -8.111) 8.641 7.737 ( -3.046 -10.998 2.557) 11.695 8.468 ( -4.076 -2.962 -1.375) 5.223 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -1.787 15.328 7.707) 17.249 1.947 ( 3.418 14.857 -2.648) 15.473 2.258 ( 7.677 4.942 -3.190) 9.671 2.551 ( 0.574 4.486 -1.130) 4.662 3.031 ( 3.046 3.907 -6.519) 8.188 3.363 ( 7.420 8.964 7.870) 14.048 5.783 ( 4.979 9.428 1.107) 10.719 6.205 ( -2.166 -1.526 -0.672) 2.733 6.461 ( 2.280 1.841 -0.597) 2.991 7.132 ( 4.103 -3.465 -5.943) 8.010 7.573 ( -5.334 -9.495 2.623) 11.202 8.346 ( -6.011 -2.797 -2.212) 6.989 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 1.508 11.638 3.766) 12.324 2.130 ( 3.164 12.197 -3.027) 12.959 2.428 ( 6.132 6.253 -0.701) 8.786 2.595 ( 0.928 3.315 -1.029) 3.593 3.043 ( 2.168 -3.634 -1.218) 4.404 3.620 ( 6.780 10.372 3.418) 12.854 5.965 ( 5.042 8.785 2.044) 10.334 6.175 ( -0.378 1.104 -1.463) 1.871 6.523 ( 1.693 4.014 -1.604) 4.642 7.137 ( 3.314 -5.412 -4.943) 8.043 7.396 ( -7.026 -6.825 3.022) 10.251 8.221 ( -4.268 -2.718 -2.037) 5.455 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 3.142 9.821 2.099) 10.523 2.263 ( 1.980 8.377 -3.439) 9.270 2.559 ( 2.719 4.289 0.668) 5.122 2.644 ( 1.297 2.615 0.852) 3.040 3.059 ( 1.993 0.356 0.680) 2.136 3.778 ( 3.315 3.761 0.385) 5.029 6.116 ( 3.351 6.049 2.032) 7.207 6.217 ( 2.851 4.115 -1.463) 5.215 6.570 ( -0.193 3.481 -2.483) 4.280 7.098 ( -1.992 -3.594 -3.513) 5.406 7.248 ( -4.483 -2.938 2.556) 5.938 8.149 ( -0.191 -3.654 -1.030) 3.801 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 1.411 8.361 0.939) 8.531 2.347 ( 1.562 5.257 -2.693) 6.110 2.600 ( -1.053 0.933 1.486) 2.046 2.682 ( 1.500 -0.491 1.147) 1.951 3.110 ( -1.824 8.022 -0.117) 8.228 3.827 ( 2.502 -2.087 0.054) 3.259 6.222 ( 2.924 4.634 0.816) 5.540 6.307 ( 2.573 3.393 -0.333) 4.271 6.565 ( -0.962 -0.189 -2.361) 2.557 6.992 ( -8.078 3.416 -0.295) 8.775 7.212 ( 0.106 -0.205 0.242) 0.334 8.129 ( 2.840 -5.302 -0.273) 6.021 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( -3.233 5.678 0.328) 6.543 2.403 ( 0.844 2.631 -1.147) 2.992 2.572 ( -1.983 -0.334 1.180) 2.331 2.690 ( 0.944 -2.542 0.213) 2.719 3.122 ( -7.470 10.508 -2.224) 13.083 3.848 ( 3.328 -3.861 1.676) 5.366 6.278 ( -2.426 2.823 0.191) 3.727 6.347 ( 0.629 -0.333 -0.115) 0.721 6.559 ( 2.603 -0.901 -0.573) 2.814 6.931 ( -6.175 9.635 0.119) 11.445 7.217 ( -0.086 0.476 -0.047) 0.486 8.130 ( 3.775 -6.130 0.045) 7.199 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -7.698 1.187 0.637) 7.815 2.408 ( -2.412 1.041 1.183) 2.882 2.555 ( -1.356 1.897 -0.986) 2.532 2.669 ( 0.059 -3.454 0.204) 3.461 3.062 ( -7.905 7.139 -3.239) 11.133 3.858 ( -0.027 -2.470 1.961) 3.153 6.204 ( -6.338 -0.290 -0.145) 6.346 6.320 ( -2.875 -1.285 0.341) 3.167 6.614 ( 1.585 1.825 0.766) 2.536 6.979 ( 0.696 9.901 -1.079) 9.984 7.216 ( 0.587 -1.236 0.520) 1.464 8.139 ( 3.891 -4.982 0.393) 6.334 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -10.211 -1.029 0.905) 10.302 2.343 ( -6.978 0.478 1.498) 7.153 2.531 ( -4.638 2.889 -1.204) 5.595 2.631 ( -0.667 -3.109 0.641) 3.244 3.016 ( -1.260 2.775 -2.338) 3.841 3.782 ( -7.903 -1.351 0.641) 8.043 6.082 ( -7.726 -0.434 -0.165) 7.740 6.247 ( -3.891 -0.872 0.443) 4.012 6.616 ( -3.891 2.186 0.622) 4.507 7.125 ( 7.054 6.548 -2.893) 10.050 7.225 ( 2.797 -3.225 2.176) 4.792 8.175 ( 4.563 -2.250 0.680) 5.133 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -13.042 0.000 0.000) 13.042 2.190 ( -11.564 0.000 0.000) 11.564 2.441 ( -6.991 0.000 0.000) 6.991 2.595 ( -2.161 0.000 0.000) 2.161 3.069 ( 5.904 -0.000 -0.000) 5.904 3.563 ( -17.174 0.000 0.000) 17.174 5.933 ( -9.602 0.000 0.000) 9.602 6.199 ( -1.100 0.000 0.000) 1.100 6.546 ( -5.131 0.000 0.000) 5.131 7.241 ( 1.987 -0.000 -0.000) 1.987 7.322 ( 11.073 -0.000 -0.000) 11.073 8.252 ( 5.566 -0.000 -0.000) 5.566 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 0.000 15.955 8.684) 18.165 1.908 ( 0.000 17.490 3.073) 17.758 2.051 ( -0.000 0.463 -7.587) 7.601 2.537 ( -0.000 6.859 -0.574) 6.883 2.953 ( -0.000 13.328 -9.443) 16.334 3.244 ( 0.000 3.279 8.397) 9.015 5.686 ( -0.000 9.460 -0.014) 9.460 6.259 ( 0.000 -1.864 0.399) 1.906 6.398 ( 0.000 -0.861 0.052) 0.862 7.053 ( -0.000 -1.767 -7.320) 7.530 7.661 ( 0.000 -10.736 1.715) 10.872 8.472 ( -0.000 -2.986 -0.962) 3.138 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -4.210 8.814 3.626) 10.419 2.036 ( 1.664 13.297 0.017) 13.401 2.172 ( 7.748 7.695 -2.509) 11.205 2.579 ( 0.245 3.266 -4.336) 5.434 2.970 ( 1.370 -4.467 -3.762) 5.999 3.426 ( 3.558 18.110 7.252) 19.830 5.807 ( 3.288 9.513 0.559) 10.081 6.232 ( -1.948 0.066 -0.062) 1.950 6.422 ( 2.982 0.535 -0.226) 3.038 7.024 ( 2.113 -4.300 -5.691) 7.439 7.547 ( -2.163 -9.535 1.274) 9.860 8.405 ( -4.156 -2.547 -1.230) 5.027 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 0.015 6.941 0.649) 6.971 2.192 ( 2.058 10.390 -0.196) 10.594 2.375 ( 7.378 8.018 -0.131) 10.897 2.605 ( 1.554 2.880 -4.350) 5.443 2.939 ( 2.627 -6.803 0.679) 7.324 3.669 ( 3.127 14.589 3.592) 15.347 5.973 ( 4.929 8.923 1.595) 10.318 6.206 ( -1.829 2.137 -1.005) 2.987 6.497 ( 4.146 2.240 -1.186) 4.859 7.005 ( 3.525 -6.207 -4.014) 8.190 7.419 ( -3.539 -7.515 1.189) 8.391 8.289 ( -6.211 -1.835 -1.330) 6.611 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 3.196 7.695 1.527) 8.471 2.298 ( 1.703 6.212 -2.168) 6.797 2.535 ( 3.684 3.941 1.115) 5.509 2.671 ( 1.318 4.716 -0.178) 4.900 2.962 ( 7.248 -3.378 0.519) 8.013 3.808 ( -0.339 7.415 0.494) 7.439 6.129 ( 3.173 6.402 2.238) 7.487 6.223 ( 0.964 4.592 -1.461) 4.915 6.571 ( 2.085 1.666 -2.657) 3.766 7.012 ( 5.156 -4.420 -2.273) 7.161 7.297 ( -4.052 -4.692 1.225) 6.319 8.168 ( -5.358 -1.797 -0.946) 5.730 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 3.277 8.014 1.690) 8.821 2.367 ( 1.312 4.223 -1.851) 4.793 2.601 ( 1.756 0.804 0.445) 1.982 2.681 ( -2.071 -1.316 2.405) 3.436 3.132 ( 9.121 6.784 0.129) 11.368 3.809 ( -3.046 -0.158 -1.210) 3.281 6.221 ( 2.141 4.656 0.456) 5.145 6.306 ( 2.474 4.232 0.423) 4.920 6.565 ( -1.281 -2.154 -2.912) 3.842 7.077 ( 3.164 2.363 -1.319) 4.164 7.212 ( -2.038 -1.786 1.247) 2.983 8.076 ( -2.423 -3.257 -0.420) 4.081 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -0.107 7.014 0.714) 7.051 2.414 ( 0.390 3.235 -0.602) 3.314 2.601 ( -2.378 -1.518 0.920) 2.968 2.639 ( 1.249 -3.623 0.628) 3.884 3.322 ( -0.429 12.766 -0.523) 12.784 3.739 ( 1.342 -6.966 -0.279) 7.099 6.305 ( 2.303 3.795 -0.255) 4.447 6.360 ( -0.535 1.831 0.823) 2.078 6.504 ( 0.157 -3.834 -1.524) 4.129 7.108 ( -3.873 6.698 -0.069) 7.737 7.215 ( 1.365 0.276 0.081) 1.395 8.025 ( 1.239 -4.775 -0.097) 4.935 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -7.346 2.806 0.332) 7.871 2.437 ( -0.168 1.267 0.093) 1.282 2.572 ( 0.636 0.181 -0.014) 0.661 2.627 ( 0.546 -3.000 -0.025) 3.049 3.299 ( -11.875 6.821 -1.388) 13.764 3.773 ( 7.190 -3.628 1.093) 8.128 6.303 ( -5.747 0.099 -0.018) 5.748 6.345 ( -0.556 0.269 -0.106) 0.627 6.543 ( 6.107 -0.409 0.086) 6.121 7.112 ( -3.766 7.678 0.285) 8.557 7.207 ( -1.386 -2.013 -0.352) 2.469 8.028 ( 3.910 -3.381 0.060) 5.170 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -9.633 0.000 0.000) 9.633 2.425 ( -2.438 0.000 0.000) 2.438 2.595 ( -1.453 0.000 0.000) 1.453 2.605 ( 1.232 -0.000 -0.000) 1.232 3.130 ( -10.036 0.000 0.000) 10.036 3.836 ( 0.824 -0.000 -0.000) 0.824 6.197 ( -6.552 0.000 0.000) 6.552 6.310 ( -3.400 0.000 0.000) 3.400 6.635 ( 3.321 -0.000 -0.000) 3.321 7.110 ( -1.494 0.000 0.000) 1.494 7.177 ( 1.020 -0.000 -0.000) 1.020 8.086 ( 4.604 -0.000 -0.000) 4.604 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -0.000 -0.113 -4.394) 4.395 2.157 ( 0.000 12.790 3.655) 13.302 2.186 ( -0.000 9.988 -2.828) 10.380 2.574 ( -0.000 0.423 -7.318) 7.331 2.907 ( 0.000 -5.465 2.777) 6.131 3.607 ( 0.000 19.365 5.945) 20.257 5.867 ( 0.000 8.664 0.299) 8.669 6.263 ( -0.000 2.202 -0.066) 2.203 6.395 ( -0.000 0.609 -0.142) 0.625 6.944 ( -0.000 -5.612 -4.309) 7.075 7.477 ( 0.000 -8.682 0.331) 8.689 8.415 ( -0.000 -2.181 -0.965) 2.385 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 1.121 1.465 -3.506) 3.962 2.242 ( 1.008 4.724 -3.596) 6.022 2.345 ( 6.426 9.722 0.586) 11.669 2.570 ( 1.573 0.801 -5.054) 5.353 2.871 ( -0.155 -4.724 5.085) 6.943 3.802 ( 0.443 15.377 4.097) 15.920 5.981 ( 3.879 7.573 0.701) 8.537 6.268 ( -2.285 3.668 -0.885) 4.411 6.441 ( 3.785 1.627 -0.482) 4.148 6.887 ( 1.672 -6.806 -2.572) 7.466 7.388 ( -1.372 -7.091 -0.104) 7.223 8.360 ( -3.935 -1.445 -0.889) 4.286 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 4.763 3.791 -0.706) 6.128 2.289 ( 3.104 0.988 -4.488) 5.546 2.536 ( 3.202 6.185 2.389) 7.363 2.639 ( 7.423 4.246 -4.078) 9.475 2.838 ( 0.778 -4.992 4.632) 6.854 3.919 ( -2.175 9.325 1.661) 9.718 6.131 ( 4.841 6.046 1.457) 7.881 6.269 ( -1.558 4.648 -1.493) 5.125 6.525 ( 3.866 1.294 -1.727) 4.427 6.866 ( 4.683 -6.123 -0.771) 7.747 7.300 ( -1.967 -4.860 -0.178) 5.246 8.259 ( -6.253 -0.718 -0.666) 6.329 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 5.995 5.099 1.054) 7.940 2.346 ( 4.021 0.658 -2.652) 4.861 2.593 ( 0.482 1.647 1.050) 2.012 2.725 ( -2.888 -0.053 1.200) 3.128 2.955 ( 15.156 2.099 0.472) 15.308 3.911 ( -6.318 3.336 -0.313) 7.152 6.241 ( 1.761 4.566 0.740) 4.949 6.307 ( 1.441 3.503 -0.311) 3.801 6.550 ( -0.167 -1.684 -2.309) 2.863 6.951 ( 9.854 -1.523 0.050) 9.972 7.233 ( -1.779 -2.111 0.008) 2.761 8.140 ( -6.715 -0.789 -0.353) 6.770 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 3.994 3.087 0.188) 5.051 2.424 ( 4.003 2.634 -0.225) 4.797 2.606 ( -0.192 -0.937 0.625) 1.143 2.643 ( -4.751 -1.842 0.658) 5.138 3.264 ( 16.125 4.654 0.299) 16.786 3.778 ( -10.012 -1.414 -0.852) 10.147 6.309 ( 1.469 3.989 -0.414) 4.271 6.359 ( 2.434 0.452 1.039) 2.684 6.492 ( -2.975 -2.735 -1.403) 4.278 7.121 ( 8.631 1.497 -0.347) 8.766 7.200 ( -1.128 -0.015 0.367) 1.186 8.026 ( -4.971 -1.428 -0.120) 5.174 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 0.911 -0.000 -0.000) 0.911 2.504 ( -6.784 0.000 0.000) 6.784 2.520 ( 3.940 -0.000 -0.000) 3.940 2.615 ( -0.188 0.000 0.000) 0.188 3.558 ( -13.308 0.000 0.000) 13.308 3.561 ( 14.340 -0.000 -0.000) 14.340 6.345 ( 0.702 -0.000 -0.000) 0.702 6.399 ( -5.215 0.000 0.000) 5.215 6.436 ( 5.536 -0.000 -0.000) 5.536 7.185 ( -0.992 0.000 0.000) 0.992 7.218 ( 0.956 -0.000 -0.000) 0.956 7.971 ( 0.096 -0.000 -0.000) 0.096 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -0.000 -0.137 -3.904) 3.907 2.211 ( -0.000 -2.313 -10.456) 10.709 2.382 ( 0.000 8.150 2.724) 8.594 2.571 ( -0.000 2.893 -0.799) 3.001 2.856 ( 0.000 -2.898 5.101) 5.867 3.951 ( 0.000 12.693 3.681) 13.216 6.009 ( 0.000 5.495 0.276) 5.502 6.334 ( -0.000 5.196 -1.496) 5.407 6.418 ( -0.000 1.699 -0.121) 1.703 6.801 ( -0.000 -7.147 -0.792) 7.191 7.334 ( -0.000 -5.790 -0.669) 5.829 8.379 ( -0.000 -1.070 -0.673) 1.264 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 4.556 1.219 -1.544) 4.962 2.186 ( 4.050 -3.605 -7.890) 9.574 2.508 ( 6.197 5.585 1.336) 8.448 2.600 ( 0.182 2.539 -0.019) 2.546 2.834 ( -1.288 -2.208 3.695) 4.493 4.048 ( -1.886 7.982 2.142) 8.477 6.096 ( 4.657 3.836 0.420) 6.048 6.348 ( -2.685 4.664 -1.576) 5.608 6.474 ( 3.355 1.997 -0.774) 3.981 6.748 ( 1.983 -6.449 0.569) 6.771 7.278 ( -0.784 -3.864 -0.669) 3.999 8.338 ( -3.638 -0.498 -0.450) 3.699 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 7.566 3.505 1.745) 8.519 2.226 ( 6.576 -3.282 -4.730) 8.740 2.613 ( -0.331 1.441 0.687) 1.631 2.713 ( 11.771 3.404 -1.427) 12.336 2.792 ( -1.876 -2.242 2.854) 4.086 4.047 ( -5.250 3.124 0.520) 6.131 6.218 ( 5.240 2.233 0.539) 5.722 6.342 ( -1.805 2.738 -0.884) 3.396 6.527 ( 1.331 0.052 -1.060) 1.703 6.775 ( 7.406 -2.794 0.673) 7.945 7.235 ( -0.892 -1.626 -0.324) 1.883 8.250 ( -6.248 -0.124 -0.197) 6.252 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 5.288 -0.000 -0.000) 5.288 2.324 ( 7.960 -0.000 -0.000) 7.960 2.613 ( -0.486 0.000 0.000) 0.486 2.720 ( -4.628 0.000 0.000) 4.628 2.988 ( 17.384 -0.000 -0.000) 17.384 3.941 ( -8.783 0.000 0.000) 8.783 6.303 ( 3.435 -0.000 -0.000) 3.435 6.332 ( -0.628 0.000 0.000) 0.628 6.519 ( -1.519 0.000 0.000) 1.519 6.938 ( 12.018 -0.000 -0.000) 12.018 7.214 ( -0.716 0.000 0.000) 0.716 8.132 ( -7.351 0.000 0.000) 7.351 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -0.000 -0.046 -1.445) 1.445 2.098 ( -0.000 -2.478 -4.638) 5.259 2.500 ( 0.000 2.789 0.914) 2.935 2.623 ( 0.000 1.584 0.265) 1.606 2.838 ( 0.000 -1.046 1.834) 2.112 4.132 ( 0.000 4.310 1.307) 4.504 6.079 ( 0.000 1.719 0.083) 1.721 6.425 ( -0.000 4.232 -1.804) 4.600 6.448 ( -0.000 0.993 -0.021) 0.993 6.678 ( 0.000 -4.782 1.161) 4.920 7.253 ( -0.000 -2.076 -0.490) 2.133 8.364 ( -0.000 -0.276 -0.233) 0.361 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 7.478 -0.000 -0.000) 7.478 2.109 ( 3.419 -0.000 -0.000) 3.419 2.567 ( 6.281 -0.000 -0.000) 6.281 2.628 ( -0.315 0.000 0.000) 0.315 2.823 ( -1.523 0.000 0.000) 1.523 4.132 ( -2.711 0.000 0.000) 2.711 6.134 ( 5.062 -0.000 -0.000) 5.062 6.396 ( -2.927 0.000 0.000) 2.927 6.497 ( 2.433 -0.000 -0.000) 2.433 6.675 ( 2.760 -0.000 -0.000) 2.760 7.237 ( -0.529 0.000 0.000) 0.529 8.332 ( -3.504 0.000 0.000) 3.504 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.212 ( 0.000 -0.000 23.896) 23.896 0.212 ( 0.000 -0.000 23.896) 23.896 0.368 ( 0.000 -0.000 41.664) 41.664 2.141 ( -0.000 0.000 -1.868) 1.868 2.141 ( -0.000 0.000 -1.868) 1.868 4.106 ( -0.000 0.000 -5.231) 5.231 5.290 ( -0.000 0.000 -0.023) 0.023 5.290 ( -0.000 0.000 -0.023) 0.023 6.510 ( 0.000 -0.000 0.068) 0.068 6.510 ( 0.000 -0.000 0.068) 0.068 8.319 ( 0.000 -0.000 1.277) 1.277 8.693 ( -0.000 0.000 -0.511) 0.511 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( 14.694 8.484 7.188) 18.427 0.475 ( 13.180 7.609 14.235) 20.838 1.013 ( 32.486 18.756 21.358) 43.165 2.154 ( 1.016 0.587 -1.189) 1.671 2.173 ( 3.818 2.204 -3.769) 5.800 3.649 ( -5.989 -3.458 1.999) 7.199 5.322 ( 2.583 1.491 0.377) 3.006 6.492 ( -1.898 -1.096 0.142) 2.196 6.493 ( -1.368 -0.790 -0.124) 1.585 6.815 ( 27.690 15.987 -47.926) 57.613 8.257 ( -6.591 -3.805 3.752) 8.485 8.575 ( -3.384 -1.954 2.405) 4.589 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 17.089 9.866 0.880) 19.752 0.839 ( 16.292 9.406 3.424) 19.121 1.788 ( 31.272 18.055 14.764) 39.011 2.180 ( 1.480 0.854 -0.421) 1.760 2.277 ( 6.378 3.682 -5.796) 9.372 3.545 ( -3.905 -2.255 -1.751) 4.837 5.407 ( 4.895 2.826 0.625) 5.686 6.423 ( -4.195 -2.422 -0.182) 4.847 6.453 ( -1.990 -1.149 -0.272) 2.314 7.091 ( 10.375 5.990 -16.894) 20.711 8.078 ( -9.956 -5.748 4.575) 12.373 8.509 ( -3.255 -1.879 -3.354) 5.038 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 16.610 9.590 -1.598) 19.246 1.208 ( 16.445 9.495 -2.867) 19.204 2.217 ( 1.882 1.086 0.476) 2.224 2.400 ( 7.453 4.303 -0.447) 8.618 2.479 ( 25.027 14.449 2.705) 29.025 3.468 ( -2.559 -1.477 1.318) 3.235 5.542 ( 6.836 3.947 0.703) 7.925 6.315 ( -4.927 -2.845 -0.633) 5.725 6.410 ( -1.658 -0.957 -0.358) 1.947 7.241 ( 5.999 3.464 -6.030) 9.184 7.849 ( -11.501 -6.640 3.622) 13.765 8.407 ( -4.212 -2.432 -5.810) 7.576 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 14.339 8.279 -3.101) 16.845 1.551 ( 15.264 8.813 -6.707) 18.858 2.267 ( 2.272 1.312 1.501) 3.022 2.525 ( 5.492 3.171 -4.652) 7.865 2.946 ( 13.277 7.666 1.056) 15.368 3.475 ( 3.401 1.964 7.440) 8.412 5.710 ( 7.751 4.475 0.656) 8.974 6.220 ( -2.884 -1.665 -1.074) 3.499 6.383 ( -0.534 -0.309 -0.373) 0.721 7.314 ( 1.392 0.804 -1.854) 2.454 7.584 ( -12.790 -7.384 1.659) 14.861 8.312 ( -2.219 -1.281 -5.403) 5.980 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 10.553 6.093 -3.987) 12.822 1.849 ( 13.323 7.692 -8.242) 17.453 2.328 ( 2.610 1.507 2.418) 3.864 2.621 ( 4.070 2.350 -3.498) 5.859 3.068 ( -0.484 -0.280 1.917) 1.997 3.657 ( 8.634 4.985 6.796) 12.066 5.880 ( 6.933 4.003 0.506) 8.022 6.196 ( 1.318 0.761 -1.466) 2.113 6.386 ( 0.848 0.490 -0.297) 1.024 7.282 ( -11.213 -6.474 5.423) 14.037 7.304 ( -4.427 -2.556 -6.688) 8.418 8.287 ( 0.881 0.509 -2.827) 3.004 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 6.246 3.606 -3.814) 8.158 2.098 ( 10.894 6.290 -7.803) 14.803 2.392 ( 2.279 1.316 2.603) 3.701 2.680 ( 1.781 1.028 -2.149) 2.974 3.017 ( -3.845 -2.220 3.767) 5.822 3.831 ( 5.044 2.912 3.942) 7.033 6.010 ( 4.447 2.568 0.282) 5.143 6.272 ( 5.752 3.321 -1.699) 6.855 6.415 ( 1.611 0.930 -0.139) 1.866 6.985 ( -13.158 -7.597 0.322) 15.197 7.242 ( -2.135 -1.233 -1.633) 2.957 8.317 ( 1.813 1.047 -0.832) 2.253 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 2.691 1.554 -2.425) 3.941 2.285 ( 7.103 4.101 -5.284) 9.757 2.432 ( 0.457 0.264 1.791) 1.867 2.683 ( -0.891 -0.515 -0.673) 1.230 2.945 ( -2.923 -1.688 1.164) 3.570 3.909 ( 1.180 0.681 3.117) 3.402 6.077 ( 1.429 0.825 0.093) 1.653 6.434 ( 8.673 5.008 -1.674) 10.154 6.445 ( 0.844 0.487 -0.009) 0.975 6.713 ( -10.792 -6.231 0.823) 12.488 7.208 ( -0.483 -0.279 -0.370) 0.670 8.348 ( 0.868 0.501 -0.079) 1.005 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -0.331 -0.191 -0.113) 0.398 2.349 ( -1.641 -0.948 1.668) 2.524 2.416 ( -2.169 -1.252 0.173) 2.510 2.679 ( 1.708 0.986 -1.199) 2.308 2.896 ( -0.970 -0.560 -3.948) 4.104 3.903 ( -2.571 -1.485 2.526) 3.898 6.076 ( -1.547 -0.893 -0.025) 1.786 6.446 ( -0.792 -0.457 0.049) 0.916 6.461 ( -7.944 -4.586 1.292) 9.263 6.692 ( 10.575 6.105 -1.485) 12.300 7.222 ( 1.577 0.910 1.019) 2.087 8.353 ( -0.413 -0.238 0.427) 0.640 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( -4.463 -2.576 3.212) 6.072 2.236 ( -8.834 -5.101 7.321) 12.556 2.345 ( -3.481 -2.010 -2.402) 4.682 2.714 ( -0.367 -0.212 1.679) 1.732 2.908 ( 4.487 2.590 -8.627) 10.063 3.795 ( -7.821 -4.516 0.234) 9.034 6.006 ( -4.648 -2.684 -0.192) 5.371 6.305 ( -5.790 -3.343 1.914) 6.954 6.418 ( -1.485 -0.857 0.141) 1.721 6.948 ( 11.972 6.912 -3.453) 14.249 7.284 ( 3.555 2.052 2.612) 4.865 8.341 ( -0.608 -0.351 1.733) 1.870 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -10.366 -5.985 6.052) 13.413 2.014 ( -13.064 -7.543 9.576) 17.868 2.267 ( -2.331 -1.346 -4.406) 5.163 2.667 ( -3.765 -2.174 1.555) 4.617 3.022 ( 5.991 3.459 -3.794) 7.890 3.546 ( -13.574 -7.837 -4.697) 16.362 5.871 ( -7.142 -4.123 -0.458) 8.260 6.225 ( -1.692 -0.977 1.678) 2.575 6.391 ( -0.726 -0.419 0.302) 0.891 7.170 ( 8.238 4.756 -6.933) 11.771 7.403 ( 6.557 3.786 4.312) 8.713 8.350 ( 0.986 0.569 3.872) 4.036 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -15.020 -8.672 7.072) 18.730 1.710 ( -16.580 -9.573 10.194) 21.690 2.215 ( -1.276 -0.737 -4.369) 4.611 2.554 ( -6.862 -3.962 -0.861) 7.970 2.990 ( -16.132 -9.314 5.797) 19.508 3.308 ( 1.786 1.031 -11.114) 11.304 5.697 ( -7.875 -4.546 -0.717) 9.121 6.239 ( 2.395 1.383 1.010) 2.945 6.391 ( 0.578 0.334 0.439) 0.799 7.259 ( 2.034 1.174 -6.748) 7.145 7.601 ( 9.575 5.528 2.551) 11.347 8.411 ( 3.089 1.783 5.117) 6.238 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -17.604 -10.164 7.962) 21.831 1.338 ( -19.077 -11.014 10.138) 24.250 2.180 ( -0.814 -0.470 -3.737) 3.853 2.260 ( -22.281 -12.864 -6.906) 26.639 2.574 ( -14.779 -8.533 4.690) 17.698 3.419 ( 6.704 3.871 -3.669) 8.567 5.527 ( -6.829 -3.942 -0.850) 7.931 6.323 ( 4.505 2.601 0.234) 5.207 6.418 ( 1.614 0.932 0.483) 1.926 7.247 ( -1.097 -0.633 -5.265) 5.415 7.827 ( 9.864 5.695 1.092) 11.442 8.501 ( 3.239 1.870 4.172) 5.603 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -18.607 -10.743 9.773) 23.604 0.926 ( -20.122 -11.618 10.412) 25.462 1.584 ( -33.330 -19.243 -5.682) 38.903 2.156 ( -0.448 -0.259 -3.101) 3.144 2.352 ( -8.068 -4.658 2.020) 9.533 3.545 ( 4.975 2.872 -1.444) 5.924 5.394 ( -4.725 -2.728 -0.768) 5.509 6.422 ( 3.971 2.292 -0.282) 4.593 6.460 ( 1.873 1.081 0.419) 2.203 7.193 ( -2.095 -1.210 -7.334) 7.722 8.044 ( 9.141 5.278 1.457) 10.655 8.563 ( 1.211 0.699 2.239) 2.640 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 0.000 23.553 8.055) 24.893 0.636 ( 0.000 18.407 17.615) 25.477 0.950 ( 0.000 28.915 24.875) 38.143 2.113 ( -0.000 -0.512 -4.235) 4.266 2.197 ( -0.000 6.116 -2.041) 6.448 3.651 ( 0.000 -8.946 1.279) 9.037 5.310 ( -0.000 2.462 -0.378) 2.491 6.484 ( -0.000 -1.867 -1.206) 2.223 6.499 ( 0.000 -1.309 0.273) 1.338 6.664 ( -0.000 37.193 -46.531) 59.569 8.266 ( 0.000 -7.285 3.491) 8.078 8.601 ( 0.000 -2.861 2.107) 3.553 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -1.767 17.891 16.862) 24.649 0.884 ( 4.661 24.480 1.992) 25.000 1.563 ( 24.085 25.358 16.341) 38.602 2.126 ( 3.423 -0.391 -4.072) 5.333 2.267 ( 0.983 7.943 -3.249) 8.638 3.553 ( -2.131 -5.376 -2.911) 6.475 5.370 ( 3.266 3.657 0.044) 4.903 6.441 ( -1.795 -3.767 -0.466) 4.199 6.473 ( -1.361 -1.405 0.156) 1.963 6.926 ( 10.411 13.665 -24.751) 30.128 8.149 ( -5.232 -9.333 4.578) 11.638 8.550 ( -3.631 -1.074 -1.425) 4.045 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 7.125 15.009 9.850) 19.315 1.208 ( 6.721 22.014 -2.123) 23.115 2.151 ( 9.049 3.887 -2.406) 10.138 2.269 ( 18.511 14.951 11.920) 26.613 2.365 ( 3.307 9.889 -6.797) 12.447 3.469 ( -1.115 -4.240 -1.699) 4.702 5.486 ( 5.285 5.097 0.476) 7.358 6.350 ( -3.687 -4.420 -0.629) 5.790 6.436 ( -1.772 -0.467 -0.130) 1.837 7.125 ( 8.831 5.275 -11.536) 15.456 7.954 ( -8.412 -9.389 4.551) 13.403 8.450 ( -5.280 -1.853 -4.353) 7.090 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 10.713 11.852 3.686) 16.396 1.517 ( 7.532 18.733 -4.874) 20.770 2.245 ( 3.594 2.395 -1.074) 4.450 2.459 ( 4.364 4.628 -4.629) 7.867 2.806 ( 16.228 14.587 3.343) 22.075 3.446 ( 2.530 -1.713 3.735) 4.826 5.644 ( 6.570 6.307 0.722) 9.136 6.245 ( -3.405 -3.497 -0.930) 4.969 6.409 ( -1.588 1.152 -0.369) 1.996 7.253 ( 5.434 0.895 -5.624) 7.871 7.715 ( -10.820 -8.940 3.739) 14.525 8.330 ( -4.213 -2.141 -5.222) 7.043 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 10.855 8.893 -0.517) 14.042 1.790 ( 7.167 15.224 -6.184) 17.927 2.326 ( 2.229 4.198 0.896) 4.837 2.559 ( 4.599 2.998 -3.993) 6.788 3.058 ( 3.499 3.158 0.185) 4.717 3.576 ( 8.736 4.005 6.970) 11.872 5.822 ( 6.437 6.775 0.825) 9.381 6.182 ( -0.487 -1.238 -1.267) 1.837 6.406 ( -0.947 2.817 -0.501) 3.014 7.284 ( 0.893 -2.071 -4.980) 5.467 7.442 ( -12.814 -7.993 3.274) 15.453 8.261 ( -0.084 -1.506 -3.416) 3.734 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 8.262 6.399 -2.297) 10.700 2.016 ( 6.591 11.635 -6.692) 14.953 2.405 ( 1.212 5.122 2.038) 5.644 2.642 ( 3.414 1.699 -2.614) 4.623 3.063 ( -2.496 -1.499 2.196) 3.647 3.774 ( 6.935 3.472 4.525) 8.979 5.983 ( 4.451 6.281 0.757) 7.736 6.206 ( 3.809 1.307 -1.552) 4.316 6.427 ( -0.201 3.770 -0.472) 3.805 7.133 ( -12.329 -7.201 -2.409) 14.480 7.259 ( -2.526 -2.054 0.302) 3.270 8.270 ( 2.917 -1.339 -1.166) 3.415 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 3.783 4.594 -2.484) 6.449 2.203 ( 6.576 7.946 -6.056) 11.961 2.468 ( -0.584 4.786 2.309) 5.346 2.683 ( 0.752 0.490 -1.539) 1.782 2.991 ( -4.097 -2.028 1.618) 4.849 3.891 ( 3.233 0.966 3.626) 4.953 6.089 ( 1.187 5.240 0.467) 5.393 6.316 ( 7.106 2.105 -1.469) 7.556 6.466 ( 0.506 4.247 -0.423) 4.298 6.856 ( -12.270 -5.322 -0.254) 13.377 7.215 ( -1.046 -0.814 -0.494) 1.415 8.306 ( 3.081 -1.960 -0.176) 3.656 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 0.336 2.707 -1.501) 3.113 2.338 ( 3.478 3.582 -3.093) 5.873 2.481 ( -3.408 3.075 1.890) 4.964 2.678 ( -0.639 0.984 -1.016) 1.553 2.912 ( -3.095 -1.276 -2.018) 3.909 3.928 ( -0.272 -0.859 3.765) 3.871 6.124 ( -2.313 3.568 0.158) 4.255 6.412 ( 2.409 -2.047 -0.201) 3.168 6.544 ( 1.107 3.578 -0.958) 3.866 6.654 ( -4.420 1.701 0.482) 4.760 7.209 ( 0.737 0.344 0.407) 0.909 8.325 ( 1.939 -2.801 0.158) 3.410 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -2.641 -0.357 0.767) 2.773 2.340 ( -4.608 -1.239 3.012) 5.643 2.426 ( -5.920 1.699 0.268) 6.165 2.705 ( 1.681 1.552 -0.136) 2.292 2.863 ( -0.004 1.215 -7.166) 7.268 3.878 ( -5.260 -2.707 2.738) 6.518 6.082 ( -5.296 0.958 -0.027) 5.382 6.356 ( -4.142 -4.819 1.170) 6.461 6.479 ( -4.683 2.235 0.491) 5.212 6.822 ( 10.239 8.038 -2.469) 13.250 7.249 ( 2.870 0.895 1.620) 3.416 8.322 ( 1.257 -3.139 0.903) 3.499 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( -7.153 -5.418 4.454) 10.018 2.203 ( -10.576 -2.323 5.983) 12.371 2.334 ( -6.236 2.221 -2.462) 7.063 2.698 ( -2.132 -2.529 1.640) 3.692 2.934 ( 6.562 5.175 -7.640) 11.323 3.698 ( -12.373 -5.234 -0.090) 13.435 5.968 ( -7.716 -1.407 -0.187) 7.846 6.252 ( -3.192 -2.860 1.513) 4.544 6.440 ( -3.448 2.744 0.393) 4.424 7.058 ( 9.462 6.885 -5.418) 12.895 7.334 ( 5.560 1.113 3.227) 6.524 8.325 ( 2.113 -2.356 2.437) 3.994 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -12.612 -9.944 7.032) 17.533 1.982 ( -15.405 -1.971 6.464) 16.822 2.258 ( -4.533 2.731 -3.865) 6.553 2.614 ( -4.670 -3.565 0.229) 5.880 3.088 ( 5.302 4.352 0.489) 6.876 3.363 ( -17.482 -7.327 -6.043) 19.895 5.804 ( -9.087 -2.534 -0.371) 9.441 6.217 ( 0.734 -0.616 1.090) 1.452 6.418 ( -2.165 2.518 0.386) 3.343 7.208 ( 4.207 3.534 -7.191) 9.049 7.487 ( 9.409 2.273 3.405) 10.261 8.370 ( 3.989 -0.804 3.627) 5.451 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -16.245 -12.245 7.933) 21.835 1.688 ( -19.744 -1.238 5.856) 20.632 2.208 ( -3.123 2.223 -3.685) 5.317 2.453 ( -11.306 -4.666 -1.679) 12.346 2.841 ( -24.737 -7.277 2.401) 25.897 3.308 ( 8.610 2.920 -4.770) 10.267 5.626 ( -8.756 -2.333 -0.470) 9.074 6.265 ( 4.149 0.807 0.393) 4.245 6.419 ( -0.328 1.768 0.344) 1.831 7.241 ( 0.044 1.155 -6.083) 6.192 7.695 ( 11.005 2.701 1.933) 11.495 8.454 ( 4.788 -0.026 2.917) 5.607 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -17.818 -11.979 8.815) 23.210 1.329 ( -23.019 -1.889 3.479) 23.357 2.032 ( -31.994 -4.762 0.298) 32.348 2.173 ( -2.056 1.672 -3.125) 4.098 2.476 ( -11.903 -4.001 0.456) 12.566 3.460 ( 7.144 2.064 -1.794) 7.649 5.473 ( -7.063 -1.132 -0.361) 7.162 6.358 ( 5.294 0.926 -0.167) 5.377 6.441 ( 1.241 0.737 0.250) 1.465 7.210 ( -2.541 0.820 -6.829) 7.333 7.911 ( 11.172 1.911 1.982) 11.507 8.530 ( 3.514 -0.658 0.765) 3.656 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 0.000 23.014 6.336) 23.870 1.092 ( 0.000 18.869 13.665) 23.298 1.671 ( 0.000 32.135 15.124) 35.516 2.073 ( -0.000 -0.375 -6.111) 6.123 2.338 ( -0.000 9.607 -3.476) 10.216 3.498 ( -0.000 -6.784 -4.015) 7.883 5.383 ( -0.000 5.358 -0.402) 5.373 6.414 ( -0.000 -4.376 -0.522) 4.407 6.467 ( 0.000 -2.110 0.293) 2.131 6.911 ( -0.000 13.444 -20.520) 24.532 8.102 ( 0.000 -11.306 4.146) 12.043 8.569 ( -0.000 -1.418 -1.628) 2.159 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -3.913 19.333 14.743) 24.626 1.354 ( 2.389 22.365 0.603) 22.500 2.064 ( 4.924 6.173 -5.079) 9.388 2.180 ( 13.879 18.633 10.976) 25.696 2.428 ( 0.645 12.006 -5.922) 13.403 3.419 ( -0.046 -6.362 -2.968) 7.020 5.470 ( 3.248 6.643 0.031) 7.395 6.351 ( -2.001 -4.802 -0.463) 5.223 6.445 ( -0.289 -1.436 0.118) 1.470 7.019 ( 5.704 7.031 -12.989) 15.833 7.968 ( -3.876 -11.531 3.921) 12.781 8.509 ( -4.292 -1.846 -3.018) 5.562 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -0.181 17.703 11.403) 21.058 1.603 ( 3.547 19.629 -3.227) 20.206 2.170 ( 6.736 2.894 -5.092) 8.926 2.451 ( 2.062 5.604 -1.053) 6.064 2.729 ( 13.112 20.362 1.005) 24.239 3.380 ( 2.672 -3.946 1.790) 5.091 5.615 ( 5.324 7.874 0.695) 9.530 6.260 ( -3.061 -4.055 -0.713) 5.131 6.435 ( -0.223 0.589 -0.322) 0.708 7.137 ( 6.486 1.348 -7.669) 10.134 7.781 ( -6.726 -10.671 3.740) 13.157 8.385 ( -6.150 -2.201 -4.159) 7.744 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 3.039 14.033 5.896) 15.521 1.836 ( 4.362 16.691 -4.235) 17.764 2.308 ( 5.738 5.168 -1.922) 7.958 2.522 ( 2.289 4.039 -3.065) 5.563 3.023 ( 5.426 6.098 -1.920) 8.385 3.485 ( 8.506 3.851 6.300) 11.264 5.796 ( 6.027 8.647 1.264) 10.615 6.182 ( -1.863 -2.047 -1.092) 2.975 6.448 ( -0.265 3.045 -0.859) 3.175 7.202 ( 4.026 -2.638 -5.809) 7.544 7.561 ( -9.287 -8.903 3.642) 13.371 8.262 ( -3.822 -2.227 -3.639) 5.728 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 4.755 10.745 2.293) 11.972 2.038 ( 3.716 13.297 -4.674) 14.576 2.440 ( 2.957 6.869 0.532) 7.497 2.594 ( 3.302 2.559 -2.164) 4.704 3.077 ( 0.215 -0.741 0.125) 0.782 3.697 ( 7.846 4.636 3.820) 9.881 5.979 ( 4.972 8.235 1.663) 9.762 6.166 ( 1.478 0.660 -1.517) 2.218 6.477 ( -0.505 4.660 -1.245) 4.850 7.176 ( -1.473 -4.903 -6.277) 8.100 7.336 ( -9.069 -5.294 4.001) 11.238 8.207 ( 0.922 -2.620 -1.690) 3.251 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 3.609 8.291 0.435) 9.053 2.192 ( 3.311 9.621 -4.677) 11.198 2.537 ( 0.262 6.209 1.994) 6.526 2.660 ( 2.391 1.635 -1.313) 3.180 3.046 ( -3.046 -0.459 0.599) 3.138 3.839 ( 4.914 0.936 2.415) 5.555 6.120 ( 2.708 6.528 1.482) 7.221 6.236 ( 4.720 2.937 -1.510) 5.760 6.508 ( -0.571 4.413 -1.349) 4.649 7.003 ( -10.225 -4.080 -2.229) 11.233 7.228 ( -2.018 -1.395 0.725) 2.558 8.217 ( 3.618 -3.660 -0.356) 5.159 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 0.225 6.066 -0.564) 6.096 2.313 ( 3.329 6.035 -3.647) 7.798 2.569 ( -2.303 2.477 2.468) 4.187 2.696 ( 0.372 1.765 -0.655) 1.919 2.979 ( -5.402 2.081 -1.776) 6.055 3.907 ( 2.777 -1.515 3.113) 4.439 6.201 ( -0.752 5.188 0.732) 5.293 6.340 ( 4.518 1.071 -0.796) 4.711 6.543 ( 1.387 2.948 -1.297) 3.507 6.807 ( -9.886 1.682 0.124) 10.029 7.208 ( -0.154 0.209 0.072) 0.269 8.239 ( 3.695 -4.765 0.020) 6.030 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -3.150 2.885 -0.168) 4.275 2.381 ( 0.114 2.160 -1.001) 2.383 2.533 ( -3.965 0.797 1.725) 4.396 2.708 ( -0.101 0.669 0.144) 0.692 2.908 ( -5.166 4.751 -5.097) 8.674 3.917 ( -0.813 -2.458 3.424) 4.293 6.189 ( -5.009 2.256 0.226) 5.498 6.363 ( -0.974 -2.749 0.242) 2.926 6.575 ( -1.722 1.802 -0.043) 2.493 6.780 ( 1.916 9.322 -0.970) 9.566 7.222 ( 1.314 0.431 0.668) 1.536 8.246 ( 3.014 -5.255 0.322) 6.066 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( -6.508 -1.860 1.814) 7.008 2.343 ( -5.894 -0.053 2.020) 6.230 2.469 ( -5.985 2.572 -0.210) 6.518 2.699 ( -0.564 -2.789 1.431) 3.185 2.899 ( 0.496 6.694 -7.008) 9.704 3.833 ( -7.424 -3.184 2.131) 8.354 6.091 ( -7.434 -0.190 0.232) 7.440 6.286 ( -3.789 -2.964 0.699) 4.861 6.549 ( -4.509 4.239 0.531) 6.211 6.964 ( 8.245 8.255 -3.571) 12.202 7.266 ( 3.616 -0.392 1.916) 4.111 8.251 ( 3.276 -4.510 1.076) 5.677 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -10.766 -5.574 4.179) 12.823 2.200 ( -11.046 -0.854 1.915) 11.244 2.387 ( -6.956 3.900 -1.433) 8.103 2.642 ( -2.612 -3.501 0.717) 4.426 3.008 ( 6.652 5.285 -4.060) 9.416 3.605 ( -16.214 -3.953 0.353) 16.692 5.944 ( -9.320 -1.009 0.255) 9.378 6.215 ( -1.606 -1.592 0.521) 2.320 6.509 ( -4.697 3.399 0.275) 5.804 7.148 ( 5.999 5.964 -6.107) 10.433 7.358 ( 7.619 -0.869 3.541) 8.446 8.285 ( 4.730 -2.761 1.618) 5.711 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -15.611 -6.408 5.020) 17.605 1.974 ( -15.012 -1.517 0.578) 15.099 2.306 ( -6.077 3.122 -2.078) 7.141 2.551 ( -5.194 -2.397 0.344) 5.731 3.171 ( 6.511 0.984 -6.262) 9.088 3.228 ( -22.093 -0.981 4.779) 22.626 5.770 ( -10.054 -0.826 0.252) 10.091 6.212 ( 2.179 -0.372 0.029) 2.211 6.466 ( -3.110 1.492 0.024) 3.450 7.233 ( 1.466 3.053 -4.870) 5.932 7.526 ( 11.177 -0.044 2.416) 11.435 8.360 ( 5.830 -1.546 0.662) 6.068 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -18.561 -3.818 4.632) 19.507 1.661 ( -19.579 -3.107 -2.362) 19.964 2.235 ( -4.246 1.598 -2.009) 4.962 2.414 ( -11.626 1.260 2.648) 11.990 2.755 ( -25.668 -1.346 -1.928) 25.775 3.350 ( 7.631 2.268 1.223) 8.054 5.605 ( -9.040 0.286 0.335) 9.051 6.271 ( 4.888 -0.218 -0.390) 4.909 6.439 ( -0.718 -0.202 -0.101) 0.752 7.246 ( -1.410 2.507 -3.808) 4.772 7.727 ( 11.976 -0.654 1.936) 12.149 8.439 ( 5.314 -1.794 -1.696) 5.859 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 0.000 17.827 10.125) 20.501 1.541 ( 0.000 20.965 3.935) 21.331 2.029 ( -0.000 -0.167 -7.034) 7.036 2.312 ( 0.000 21.732 10.776) 24.257 2.532 ( -0.000 16.577 -8.109) 18.454 3.344 ( -0.000 -6.679 -1.374) 6.819 5.513 ( -0.000 8.063 -0.104) 8.064 6.323 ( 0.000 -4.356 -0.082) 4.357 6.427 ( 0.000 -1.952 0.122) 1.956 7.000 ( -0.000 5.286 -10.540) 11.791 7.893 ( 0.000 -12.190 3.047) 12.565 8.519 ( -0.000 -2.269 -2.902) 3.684 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -3.664 17.396 10.623) 20.709 1.741 ( 0.876 17.324 -0.767) 17.363 2.067 ( 6.271 2.442 -6.346) 9.250 2.480 ( 1.087 6.191 -0.352) 6.295 2.772 ( 6.112 21.765 -3.353) 22.854 3.309 ( 2.076 -2.796 3.831) 5.177 5.625 ( 3.303 9.039 0.388) 9.632 6.266 ( -2.089 -3.363 -0.223) 3.966 6.423 ( 1.273 -0.711 -0.150) 1.466 7.040 ( 3.553 1.155 -7.313) 8.212 7.759 ( -2.810 -11.608 2.508) 12.204 8.448 ( -4.465 -2.328 -3.294) 6.017 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -2.262 12.559 4.514) 13.536 1.933 ( 2.344 15.954 0.473) 16.132 2.229 ( 8.578 6.125 -3.454) 11.092 2.530 ( 0.844 3.898 -3.852) 5.545 2.987 ( 4.112 4.497 -3.391) 6.974 3.429 ( 6.620 8.557 7.093) 12.936 5.793 ( 5.332 9.646 1.191) 11.086 6.199 ( -2.482 -1.573 -0.740) 3.030 6.454 ( 1.960 1.656 -0.861) 2.706 7.083 ( 4.414 -2.892 -5.207) 7.414 7.595 ( -4.893 -10.039 2.378) 11.419 8.321 ( -6.255 -2.008 -3.236) 7.324 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 1.453 10.544 2.862) 11.021 2.110 ( 1.928 12.661 -1.201) 12.863 2.423 ( 6.761 7.155 -0.564) 9.860 2.580 ( 1.872 3.853 -2.421) 4.920 3.034 ( 2.871 -2.472 -0.721) 3.856 3.650 ( 5.779 8.502 3.316) 10.802 5.983 ( 5.271 9.139 2.026) 10.743 6.162 ( -0.652 0.899 -1.344) 1.744 6.508 ( 1.458 3.588 -1.792) 4.267 7.095 ( 3.074 -4.659 -4.463) 7.146 7.420 ( -6.470 -7.375 2.489) 10.122 8.203 ( -4.035 -2.067 -2.155) 5.019 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 2.668 9.641 2.587) 10.333 2.235 ( 1.446 8.923 -2.687) 9.430 2.564 ( 3.110 3.988 0.551) 5.087 2.650 ( 1.567 4.291 0.330) 4.580 3.062 ( 2.121 0.277 -0.072) 2.141 3.783 ( 3.193 2.495 0.674) 4.108 6.134 ( 2.872 5.478 1.974) 6.493 6.205 ( 3.180 4.855 -1.202) 5.927 6.548 ( -0.103 2.926 -2.421) 3.799 7.067 ( -1.340 -2.262 -3.497) 4.375 7.269 ( -4.960 -3.598 2.202) 6.511 8.140 ( 0.172 -3.386 -0.783) 3.480 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 0.642 8.403 1.583) 8.575 2.324 ( 1.541 6.137 -2.505) 6.805 2.610 ( -0.305 0.606 0.874) 1.106 2.693 ( 0.682 0.100 1.397) 1.558 3.102 ( -2.505 7.872 -1.564) 8.408 3.832 ( 3.440 -2.797 0.979) 4.540 6.228 ( 2.948 4.071 0.586) 5.061 6.306 ( 2.293 4.086 0.002) 4.686 6.545 ( -0.463 -0.238 -2.118) 2.181 6.987 ( -7.259 3.921 -0.746) 8.284 7.215 ( -0.476 -0.355 0.433) 0.735 8.127 ( 2.996 -5.261 -0.123) 6.055 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( -3.519 5.884 0.607) 6.883 2.391 ( 1.217 3.563 -1.542) 4.069 2.584 ( -2.155 -0.966 1.399) 2.745 2.693 ( 0.714 -2.740 0.413) 2.862 3.097 ( -8.261 10.880 -3.166) 14.023 3.866 ( 4.002 -4.294 2.327) 6.314 6.280 ( -2.570 2.568 0.365) 3.651 6.345 ( 0.724 -0.203 -0.224) 0.784 6.553 ( 3.171 -0.377 -0.852) 3.305 6.932 ( -6.372 9.591 0.167) 11.516 7.217 ( 0.074 0.357 -0.069) 0.371 8.130 ( 3.877 -6.112 0.059) 7.238 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -7.406 1.206 0.856) 7.553 2.412 ( -1.599 1.319 -0.285) 2.093 2.552 ( -2.011 1.187 0.299) 2.354 2.673 ( 0.437 -3.501 0.760) 3.609 3.032 ( -8.619 8.490 -3.510) 12.597 3.876 ( -0.124 -3.199 1.959) 3.754 6.205 ( -6.320 -0.367 0.414) 6.344 6.322 ( -2.675 -1.362 0.024) 3.002 6.616 ( 1.944 1.886 -0.328) 2.728 6.969 ( -0.390 10.059 -1.061) 10.122 7.221 ( 1.199 -1.298 0.575) 1.858 8.142 ( 4.115 -5.036 0.283) 6.510 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( -9.726 -1.885 1.686) 10.050 2.348 ( -6.734 -0.255 -0.406) 6.751 2.523 ( -4.630 3.041 -0.526) 5.564 2.641 ( -0.831 -3.337 1.446) 3.731 2.995 ( -1.375 4.916 -2.359) 5.623 3.788 ( -8.128 -2.008 0.806) 8.411 6.084 ( -7.744 -0.528 0.729) 7.796 6.248 ( -3.823 -1.087 -0.196) 3.979 6.617 ( -3.811 1.935 -0.403) 4.293 7.095 ( 5.385 7.131 -3.590) 9.629 7.246 ( 4.165 -3.102 2.463) 5.747 8.179 ( 4.766 -2.695 0.259) 5.482 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -12.765 -2.052 1.769) 13.050 2.181 ( -11.644 -1.215 -1.950) 11.868 2.439 ( -7.156 1.070 -0.405) 7.247 2.597 ( -2.297 -0.632 0.323) 2.404 3.065 ( 5.280 1.626 -0.898) 5.597 3.571 ( -16.450 0.258 1.673) 16.536 5.937 ( -9.657 -0.018 0.904) 9.699 6.196 ( -1.070 -0.331 -0.692) 1.316 6.543 ( -5.031 -0.247 -0.626) 5.076 7.220 ( 2.927 4.452 -3.919) 6.614 7.338 ( 10.054 -3.232 3.078) 11.000 8.248 ( 5.434 -0.992 -0.858) 5.590 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -16.069 0.811 0.756) 16.107 1.923 ( -16.127 -2.263 -4.675) 16.943 2.326 ( -5.937 -0.442 0.075) 5.954 2.548 ( -4.369 1.866 -0.294) 4.760 3.090 ( -7.992 -1.526 -5.654) 9.908 3.350 ( -7.982 5.218 8.792) 12.970 5.776 ( -9.988 1.023 0.872) 10.078 6.202 ( 2.310 -0.253 -0.980) 2.522 6.461 ( -3.009 -1.785 -0.557) 3.543 7.272 ( 0.661 2.564 -1.210) 2.912 7.510 ( 12.268 -2.807 1.257) 12.648 8.325 ( 5.182 -1.027 -3.115) 6.133 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 0.000 15.526 5.395) 16.437 1.921 ( -0.000 16.351 -0.018) 16.351 1.988 ( -0.000 0.121 -5.339) 5.341 2.516 ( -0.000 3.706 -4.840) 6.096 2.893 ( -0.000 12.734 -3.448) 13.193 3.318 ( 0.000 6.898 8.431) 10.894 5.687 ( 0.000 9.542 0.283) 9.546 6.260 ( -0.000 -1.802 -0.051) 1.803 6.398 ( -0.000 -0.917 -0.125) 0.925 6.995 ( -0.000 -0.742 -5.604) 5.653 7.675 ( 0.000 -11.346 1.395) 11.431 8.455 ( -0.000 -2.326 -2.971) 3.774 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -2.547 5.540 -4.573) 7.621 2.065 ( 0.690 13.232 5.706) 14.426 2.145 ( 7.943 9.208 -3.712) 12.715 2.529 ( 0.884 2.008 -6.630) 6.983 2.956 ( 1.186 -0.339 0.413) 1.300 3.491 ( 2.829 15.932 7.369) 17.780 5.813 ( 3.621 9.586 0.702) 10.271 6.229 ( -2.195 -0.052 -0.577) 2.270 6.418 ( 2.735 0.478 -0.484) 2.818 6.981 ( 2.206 -3.516 -3.764) 5.603 7.556 ( -1.899 -10.115 0.766) 10.320 8.388 ( -4.273 -1.838 -2.697) 5.377 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 1.808 6.242 -1.703) 6.718 2.193 ( 1.295 8.335 -0.054) 8.435 2.375 ( 8.073 9.860 0.167) 12.744 2.563 ( 2.854 2.728 -4.793) 6.209 2.954 ( 1.671 -4.626 2.502) 5.518 3.701 ( 2.055 13.141 3.467) 13.746 5.987 ( 5.423 9.037 1.472) 10.642 6.196 ( -2.085 1.912 -1.228) 3.084 6.485 ( 3.609 2.055 -1.478) 4.408 6.976 ( 3.496 -5.314 -2.375) 6.790 7.426 ( -3.085 -8.108 0.594) 8.696 8.274 ( -6.198 -1.169 -2.038) 6.628 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 4.175 7.412 0.898) 8.554 2.280 ( 1.725 5.593 -1.911) 6.156 2.546 ( 3.038 4.108 1.347) 5.284 2.664 ( 3.652 6.001 -1.130) 7.115 2.972 ( 5.985 -3.206 1.726) 7.005 3.811 ( -1.179 6.626 0.195) 6.733 6.148 ( 2.891 5.829 1.952) 6.793 6.210 ( 1.454 5.097 -1.365) 5.474 6.548 ( 1.718 1.411 -2.583) 3.409 6.996 ( 4.906 -3.250 -1.427) 6.056 7.306 ( -3.527 -5.296 0.752) 6.407 8.159 ( -5.190 -1.371 -1.088) 5.477 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 3.363 7.448 1.458) 8.301 2.353 ( 1.483 4.750 -1.362) 5.159 2.605 ( 1.435 0.888 0.408) 1.736 2.700 ( -1.809 -1.396 1.841) 2.935 3.134 ( 8.797 7.053 0.150) 11.276 3.798 ( -2.977 -0.556 -1.082) 3.216 6.223 ( 1.935 4.254 -0.011) 4.673 6.311 ( 2.720 4.607 0.805) 5.411 6.541 ( -1.107 -1.889 -2.480) 3.308 7.066 ( 3.037 2.939 -1.148) 4.379 7.222 ( -1.888 -2.122 0.985) 3.006 8.072 ( -2.266 -3.114 -0.363) 3.868 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( -0.065 6.207 0.589) 6.235 2.411 ( 0.241 4.301 -0.194) 4.313 2.608 ( -1.998 -1.366 0.614) 2.497 2.645 ( 0.546 -4.517 0.622) 4.592 3.315 ( -1.521 13.277 -1.110) 13.410 3.739 ( 2.570 -7.213 0.265) 7.662 6.303 ( 2.384 3.587 -0.250) 4.314 6.367 ( -1.071 1.983 0.686) 2.356 6.492 ( 0.865 -3.386 -1.253) 3.713 7.107 ( -3.336 6.843 -0.008) 7.613 7.215 ( 0.838 0.148 -0.039) 0.852 8.024 ( 1.317 -4.748 -0.061) 4.928 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -7.191 2.494 0.572) 7.633 2.436 ( -0.367 1.530 -0.293) 1.601 2.575 ( 0.468 -0.202 0.595) 0.784 2.627 ( 0.706 -3.013 0.129) 3.098 3.287 ( -12.051 7.937 -1.348) 14.493 3.781 ( 7.315 -4.420 0.768) 8.581 6.305 ( -5.761 0.007 0.295) 5.768 6.344 ( -0.464 0.373 -0.134) 0.610 6.541 ( 6.133 -0.253 -0.630) 6.170 7.115 ( -4.059 7.772 0.393) 8.776 7.204 ( -1.127 -2.087 -0.389) 2.404 8.029 ( 3.957 -3.413 0.010) 5.225 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -9.559 -0.598 0.685) 9.602 2.419 ( -2.621 -0.292 -1.355) 2.965 2.594 ( -1.413 2.066 -0.097) 2.505 2.615 ( 1.309 -1.956 1.854) 2.996 3.130 ( -10.075 1.662 0.022) 10.211 3.834 ( 0.888 -0.971 -0.467) 1.396 6.200 ( -6.459 -0.124 0.563) 6.484 6.309 ( -3.500 -0.046 -0.230) 3.508 6.630 ( 3.261 -0.039 -1.286) 3.505 7.107 ( -1.779 1.232 -0.656) 2.261 7.180 ( 1.260 -0.928 0.767) 1.742 8.085 ( 4.559 -0.197 -0.175) 4.567 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -10.439 -0.122 0.111) 10.440 2.323 ( -7.333 -1.208 -2.932) 7.989 2.542 ( -4.853 -2.002 1.258) 5.398 2.630 ( -0.921 2.208 0.336) 2.416 3.035 ( -1.203 -0.816 1.974) 2.451 3.778 ( -7.208 0.905 -0.350) 7.274 6.087 ( -7.601 0.277 1.015) 7.673 6.241 ( -4.098 0.677 -1.005) 4.274 6.607 ( -3.720 -2.272 -1.513) 4.615 7.140 ( 7.969 -4.196 0.110) 9.007 7.214 ( 1.836 1.445 0.047) 2.337 8.167 ( 4.200 1.888 -0.978) 4.707 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -12.264 2.564 -1.505) 12.619 2.131 ( -12.432 -1.526 -5.270) 13.589 2.419 ( -6.479 -2.646 1.734) 7.210 2.624 ( -2.529 2.780 -1.300) 3.976 3.061 ( 3.323 -1.778 1.862) 4.204 3.631 ( -12.283 3.948 3.109) 13.271 5.952 ( -9.195 0.838 1.119) 9.300 6.196 ( -1.654 1.074 -1.574) 2.523 6.497 ( -4.420 -3.349 -0.995) 5.634 7.251 ( 6.172 -4.479 5.221) 9.242 7.280 ( 8.098 0.382 -5.053) 9.553 8.247 ( 3.363 1.900 -2.533) 4.619 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( -0.000 0.753 -6.304) 6.349 2.138 ( -0.000 7.147 -7.832) 10.603 2.197 ( 0.000 11.711 4.992) 12.730 2.517 ( -0.000 1.827 -5.133) 5.449 2.941 ( 0.000 -2.892 4.669) 5.492 3.660 ( 0.000 17.759 5.986) 18.741 5.870 ( 0.000 8.651 0.449) 8.663 6.258 ( -0.000 1.924 -1.050) 2.192 6.393 ( -0.000 0.618 -0.248) 0.666 6.916 ( -0.000 -4.757 -1.993) 5.157 7.477 ( -0.000 -9.136 -0.324) 9.141 8.401 ( -0.000 -1.532 -2.235) 2.709 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 2.207 2.333 -3.862) 5.023 2.187 ( 3.482 1.553 -8.493) 9.309 2.359 ( 5.455 10.197 2.317) 11.794 2.541 ( 0.959 3.032 -1.828) 3.668 2.918 ( -0.513 -4.183 5.483) 6.915 3.835 ( -0.200 14.337 3.490) 14.757 5.987 ( 4.212 7.509 0.664) 8.635 6.257 ( -2.331 3.403 -1.594) 4.422 6.436 ( 3.395 1.604 -0.699) 3.819 6.874 ( 1.623 -5.934 -0.465) 6.169 7.384 ( -1.179 -7.399 -0.786) 7.533 8.349 ( -3.924 -0.867 -1.658) 4.347 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 5.759 4.618 -0.342) 7.390 2.244 ( 4.914 0.159 -5.759) 7.572 2.557 ( 2.850 5.856 2.327) 6.916 2.610 ( 7.413 5.110 -2.551) 9.358 2.881 ( 0.230 -4.977 5.024) 7.076 3.930 ( -3.011 8.824 0.739) 9.353 6.142 ( 5.280 5.811 1.169) 7.938 6.254 ( -1.521 4.708 -1.703) 5.233 6.509 ( 3.246 1.296 -1.682) 3.879 6.865 ( 4.601 -5.347 0.528) 7.074 7.296 ( -1.666 -5.039 -0.683) 5.351 8.252 ( -6.189 -0.288 -0.968) 6.271 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 5.939 5.256 1.064) 8.002 2.322 ( 5.326 0.855 -2.749) 6.054 2.602 ( 0.312 1.386 0.855) 1.658 2.732 ( -1.731 0.222 0.388) 1.788 2.967 ( 13.887 1.369 2.142) 14.117 3.905 ( -6.861 3.441 -1.014) 7.742 6.244 ( 1.124 4.313 0.053) 4.457 6.306 ( 2.427 3.653 0.095) 4.387 6.532 ( -0.306 -1.065 -1.770) 2.088 6.953 ( 9.435 -1.309 0.313) 9.530 7.233 ( -1.430 -2.233 -0.158) 2.657 8.137 ( -6.650 -0.555 -0.406) 6.686 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 3.693 2.776 0.081) 4.620 2.422 ( 4.656 2.935 -0.331) 5.514 2.610 ( -0.105 -1.019 0.398) 1.099 2.648 ( -5.034 -2.633 0.510) 5.704 3.269 ( 16.037 4.403 0.830) 16.651 3.770 ( -10.067 -0.794 -1.053) 10.153 6.305 ( 1.451 3.933 -0.394) 4.211 6.367 ( 2.684 0.192 0.781) 2.802 6.482 ( -3.087 -1.829 -0.877) 3.693 7.117 ( 8.161 1.777 -0.479) 8.366 7.204 ( -0.684 -0.300 0.491) 0.894 8.025 ( -4.936 -1.323 -0.106) 5.111 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 0.831 0.365 0.000) 0.908 2.504 ( -6.324 -3.191 0.011) 7.083 2.520 ( 3.730 2.054 -0.013) 4.258 2.615 ( -0.177 -0.103 0.001) 0.205 3.558 ( -13.072 2.984 0.051) 13.408 3.560 ( 14.016 -2.558 -0.051) 14.248 6.345 ( 0.675 0.369 0.065) 0.772 6.399 ( -4.495 -1.457 -0.165) 4.729 6.436 ( 4.752 1.486 0.101) 4.980 7.185 ( -0.858 -0.182 -0.005) 0.877 7.218 ( 0.830 0.193 0.005) 0.852 7.971 ( 0.088 0.039 -0.000) 0.096 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -7.271 -3.175 0.009) 7.934 2.434 ( -0.544 -0.950 -0.538) 1.220 2.575 ( 1.210 -0.706 0.638) 1.539 2.628 ( 0.615 3.014 0.183) 3.081 3.311 ( -11.649 -6.003 1.201) 13.160 3.763 ( 6.894 3.166 -1.235) 7.686 6.305 ( -5.602 -0.161 0.218) 5.608 6.346 ( -0.705 -0.288 0.156) 0.778 6.540 ( 5.714 0.709 -0.772) 5.809 7.110 ( -3.567 -7.553 -0.167) 8.355 7.210 ( -1.490 1.895 0.288) 2.427 8.028 ( 3.826 3.369 -0.098) 5.099 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( -7.951 -1.536 -0.251) 8.102 2.393 ( -3.456 -0.921 -2.211) 4.205 2.568 ( -0.711 -2.236 1.800) 2.957 2.669 ( -0.157 3.159 0.291) 3.176 3.087 ( -7.230 -6.103 2.488) 9.783 3.842 ( 0.146 2.171 -1.595) 2.698 6.208 ( -6.203 0.187 0.607) 6.235 6.316 ( -3.224 1.156 -0.543) 3.468 6.603 ( 1.218 -1.584 -1.663) 2.600 6.987 ( 1.398 -9.614 0.798) 9.748 7.212 ( 0.123 1.023 -0.328) 1.082 8.135 ( 3.628 4.975 -0.427) 6.172 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -8.498 1.422 -1.708) 8.784 2.278 ( -8.209 -0.733 -4.731) 9.503 2.497 ( -5.178 -3.334 2.330) 6.584 2.679 ( -1.361 2.218 -0.991) 2.785 3.003 ( 1.289 -3.669 4.370) 5.849 3.814 ( -5.350 2.600 0.151) 5.951 6.098 ( -7.231 -0.119 0.917) 7.290 6.265 ( -4.375 2.689 -1.582) 5.374 6.532 ( -4.204 -3.763 -1.268) 5.783 7.011 ( 10.140 -8.308 1.381) 13.181 7.234 ( 1.905 0.416 -1.408) 2.404 8.230 ( 2.138 4.604 -1.091) 5.192 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -0.000 0.887 -3.532) 3.642 2.119 ( -0.000 -1.075 -10.096) 10.153 2.405 ( 0.000 7.330 2.337) 7.694 2.570 ( 0.000 3.799 0.393) 3.819 2.902 ( 0.000 -3.928 5.220) 6.533 3.979 ( 0.000 11.824 2.401) 12.066 6.011 ( 0.000 5.395 0.280) 5.403 6.317 ( -0.000 4.934 -2.283) 5.437 6.417 ( -0.000 1.768 -0.151) 1.774 6.802 ( 0.000 -6.417 0.976) 6.491 7.326 ( -0.000 -5.775 -1.332) 5.927 8.371 ( -0.000 -0.588 -1.184) 1.322 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 5.694 2.322 -0.631) 6.181 2.121 ( 4.442 -1.534 -6.741) 8.217 2.518 ( 5.821 5.076 0.846) 7.769 2.603 ( -0.109 2.622 0.661) 2.706 2.868 ( -1.164 -3.718 4.028) 5.604 4.060 ( -2.231 7.385 0.523) 7.732 6.100 ( 4.864 3.680 0.290) 6.106 6.332 ( -2.508 4.986 -1.790) 5.861 6.468 ( 2.989 1.964 -0.675) 3.640 6.757 ( 1.883 -6.162 1.489) 6.613 7.270 ( -0.676 -3.595 -1.155) 3.836 8.333 ( -3.611 -0.135 -0.666) 3.674 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 7.938 4.488 2.508) 9.458 2.186 ( 7.011 -2.000 -4.163) 8.396 2.618 ( -0.369 0.904 0.409) 1.058 2.700 ( 9.775 3.571 -1.292) 10.486 2.821 ( -0.129 -3.860 3.684) 5.337 4.045 ( -5.479 3.021 -0.914) 6.323 6.221 ( 5.344 1.863 0.198) 5.663 6.334 ( -1.615 3.414 -0.723) 3.845 6.520 ( 1.207 0.742 -0.581) 1.531 6.782 ( 7.165 -3.295 0.813) 7.928 7.231 ( -0.758 -1.290 -0.539) 1.590 8.248 ( -6.223 0.106 -0.246) 6.229 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 6.006 -1.298 -1.212) 6.263 2.331 ( 7.024 2.243 1.336) 7.494 2.612 ( -0.492 -0.536 -0.150) 0.743 2.718 ( -4.411 -0.585 -0.500) 4.478 2.994 ( 17.110 -0.694 1.389) 17.180 3.937 ( -8.619 0.494 -0.881) 8.678 6.301 ( 3.367 -0.201 -0.439) 3.401 6.333 ( -0.566 0.075 0.258) 0.627 6.521 ( -1.518 1.025 0.477) 1.893 6.937 ( 11.978 -0.231 -0.068) 11.980 7.214 ( -0.654 0.116 0.031) 0.665 8.132 ( -7.346 0.143 -0.012) 7.347 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 4.434 -3.600 -0.363) 5.723 2.426 ( 3.270 -1.982 0.252) 3.832 2.599 ( -0.386 0.859 -0.869) 1.281 2.637 ( -4.246 0.888 -0.623) 4.383 3.263 ( 15.763 -5.019 0.245) 16.544 3.784 ( -9.657 2.154 0.528) 9.909 6.312 ( 1.708 -4.298 0.206) 4.629 6.350 ( 1.982 -0.384 -0.918) 2.217 6.505 ( -2.940 3.596 1.665) 4.934 7.123 ( 9.020 -0.981 0.061) 9.073 7.198 ( -1.502 -0.523 -0.108) 1.594 8.027 ( -4.992 1.538 0.113) 5.225 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 0.092 -7.555 -0.625) 7.581 2.421 ( 0.309 -2.278 0.834) 2.445 2.592 ( -2.402 1.433 -1.105) 3.007 2.634 ( 1.828 2.847 -0.511) 3.421 3.324 ( 0.408 -12.564 -0.162) 12.572 3.743 ( 0.238 6.951 0.791) 7.000 6.307 ( 2.337 -4.176 0.090) 4.786 6.353 ( -0.124 -1.500 -0.705) 1.662 6.518 ( -0.696 4.374 1.552) 4.693 7.109 ( -4.330 -6.650 0.081) 7.935 7.214 ( 1.844 -0.364 -0.163) 1.886 8.026 ( 1.151 4.833 0.117) 4.969 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -3.136 -5.496 -0.102) 6.328 2.410 ( -0.079 -1.675 0.440) 1.734 2.565 ( -1.155 -0.522 -0.473) 1.353 2.689 ( 1.203 2.387 -0.065) 2.674 3.135 ( -6.599 -10.548 0.804) 12.468 3.838 ( 2.603 3.809 -0.614) 4.654 6.277 ( -2.097 -3.124 -0.057) 3.763 6.347 ( 0.444 0.493 0.033) 0.664 6.562 ( 1.658 1.568 0.203) 2.291 6.930 ( -5.872 -9.780 -0.043) 11.408 7.217 ( -0.226 -0.507 0.017) 0.556 8.129 ( 3.650 6.178 -0.017) 7.176 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -4.317 -1.989 -0.697) 4.804 2.369 ( -3.955 -0.133 -2.324) 4.589 2.531 ( -1.888 -2.887 1.435) 3.736 2.704 ( -0.652 0.085 -0.296) 0.721 2.976 ( -2.083 -5.292 2.181) 6.091 3.880 ( -0.543 1.943 -0.373) 2.052 6.190 ( -4.637 -2.641 0.389) 5.351 6.354 ( -2.039 3.090 -0.716) 3.771 6.565 ( -3.030 -1.004 -1.042) 3.358 6.798 ( 3.682 -9.715 0.868) 10.425 7.212 ( 0.371 -0.373 -0.456) 0.696 8.241 ( 2.535 5.413 -0.225) 5.981 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( -0.000 0.997 -0.467) 1.101 2.069 ( -0.000 0.899 -1.877) 2.082 2.505 ( 0.000 2.138 0.238) 2.151 2.626 ( 0.000 1.288 0.552) 1.401 2.857 ( 0.000 -2.793 2.307) 3.623 4.135 ( -0.000 3.675 -0.717) 3.744 6.080 ( 0.000 1.648 0.045) 1.649 6.411 ( -0.000 5.242 -1.394) 5.425 6.447 ( -0.000 1.024 -0.042) 1.025 6.689 ( 0.000 -5.397 1.225) 5.534 7.247 ( -0.000 -1.540 -0.881) 1.774 8.361 ( -0.000 0.010 -0.320) 0.320 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 6.779 -0.039 -0.165) 6.781 2.124 ( 3.761 3.830 3.194) 6.246 2.564 ( 6.141 -0.411 -0.766) 6.202 2.630 ( -0.164 -0.305 0.414) 0.540 2.826 ( -1.451 -1.916 0.700) 2.503 4.124 ( -2.631 -0.405 -1.910) 3.276 6.134 ( 5.019 -0.146 -0.118) 5.023 6.397 ( -2.947 1.001 0.204) 3.120 6.499 ( 2.465 0.847 0.387) 2.636 6.675 ( 2.799 -1.262 -0.167) 3.075 7.236 ( -0.505 0.529 -0.312) 0.795 8.332 ( -3.501 0.208 -0.044) 3.507 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 7.076 -2.408 -0.880) 7.526 2.268 ( 5.483 4.023 4.725) 8.281 2.605 ( -0.019 -2.109 -1.124) 2.390 2.723 ( 12.771 -1.129 0.617) 12.836 2.775 ( -2.781 -1.184 -0.584) 3.079 4.036 ( -4.755 -3.106 -1.881) 5.982 6.212 ( 5.047 -2.615 -0.775) 5.737 6.349 ( -1.941 -2.185 0.866) 3.049 6.538 ( 1.518 0.553 1.396) 2.135 6.770 ( 7.599 2.652 -0.439) 8.061 7.236 ( -0.929 1.869 0.057) 2.088 8.251 ( -6.254 0.293 0.107) 6.262 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 5.747 -5.036 -0.997) 7.706 2.368 ( 3.009 -0.541 2.405) 3.891 2.583 ( 0.730 -1.868 -1.269) 2.373 2.712 ( -3.484 0.054 -1.740) 3.895 2.959 ( 15.401 -2.649 1.231) 15.675 3.911 ( -5.511 -3.074 -0.422) 6.324 6.232 ( 2.288 -4.936 -1.208) 5.573 6.311 ( 0.664 -3.273 0.588) 3.391 6.572 ( 0.004 2.252 2.460) 3.335 6.952 ( 10.037 2.008 0.218) 10.238 7.232 ( -2.005 1.846 -0.189) 2.732 8.143 ( -6.725 0.983 0.235) 6.801 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 3.402 -8.430 -1.616) 9.233 2.385 ( 1.191 -3.582 2.144) 4.341 2.597 ( 2.077 -0.671 -0.386) 2.216 2.658 ( -2.241 1.081 -2.705) 3.675 3.131 ( 8.734 -6.868 -0.088) 11.111 3.819 ( -2.724 -0.024 1.129) 2.949 6.215 ( 2.508 -5.119 -0.885) 5.769 6.304 ( 2.129 -3.744 0.072) 4.308 6.591 ( -1.455 2.419 2.862) 4.020 7.089 ( 3.117 -1.739 1.297) 3.798 7.201 ( -2.113 1.350 -1.351) 2.848 8.079 ( -2.516 3.449 0.405) 4.288 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 2.140 -8.068 -0.293) 8.352 2.371 ( 1.352 -4.358 2.644) 5.274 2.585 ( -1.590 -1.329 -1.896) 2.809 2.674 ( 2.309 1.032 -0.745) 2.637 3.104 ( -1.516 -8.500 -1.317) 8.734 3.831 ( 1.917 1.519 0.879) 2.599 6.214 ( 3.063 -5.053 -0.851) 5.970 6.311 ( 2.653 -2.735 0.550) 3.850 6.585 ( -1.491 0.182 2.214) 2.675 6.992 ( -8.729 -3.277 -0.280) 9.328 7.211 ( 0.590 0.288 0.041) 0.658 8.132 ( 2.662 5.431 0.382) 6.061 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 0.000 0.969 2.249) 2.449 2.149 ( 0.000 5.450 6.729) 8.659 2.489 ( -0.000 -3.386 -1.513) 3.708 2.622 ( 0.000 -1.814 0.063) 1.815 2.825 ( -0.000 -0.802 -1.146) 1.399 4.112 ( -0.000 -4.779 -3.180) 5.741 6.079 ( -0.000 -1.787 -0.106) 1.790 6.442 ( 0.000 -3.735 1.905) 4.193 6.448 ( 0.000 -0.958 -0.003) 0.958 6.669 ( -0.000 4.841 -0.903) 4.924 7.255 ( -0.000 2.519 0.034) 2.519 8.365 ( 0.000 0.463 0.094) 0.473 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 3.547 -0.292 2.170) 4.168 2.255 ( 2.836 4.438 7.512) 9.174 2.495 ( 6.361 -5.750 -1.707) 8.742 2.605 ( 1.028 -1.860 1.300) 2.491 2.804 ( -1.380 0.406 -2.956) 3.287 4.023 ( -1.419 -8.282 -3.494) 9.100 6.092 ( 4.371 -3.985 -0.481) 5.934 6.359 ( -2.740 -4.581 1.085) 5.447 6.481 ( 3.730 -2.218 0.630) 4.386 6.748 ( 2.028 7.410 0.563) 7.703 7.281 ( -0.845 4.015 0.100) 4.104 8.341 ( -3.634 0.692 0.133) 3.702 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 3.600 -3.552 0.546) 5.087 2.322 ( 2.086 -2.329 2.945) 4.296 2.515 ( 3.493 -6.077 -2.443) 7.423 2.681 ( 5.696 -3.730 5.063) 8.485 2.802 ( 2.344 5.411 -3.236) 6.726 3.901 ( -1.222 -9.515 -2.356) 9.878 6.118 ( 4.378 -6.269 -1.490) 7.790 6.280 ( -1.448 -4.624 1.076) 4.964 6.539 ( 4.597 -1.415 1.358) 4.998 6.878 ( 4.452 7.274 2.064) 8.775 7.299 ( -2.179 4.588 -0.395) 5.094 8.263 ( -6.213 0.996 0.229) 6.296 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 2.597 -8.335 -2.012) 8.959 2.318 ( 2.071 -6.298 2.337) 7.030 2.527 ( 4.215 -3.483 -0.775) 5.523 2.667 ( -0.687 -3.604 -0.979) 3.798 2.963 ( 7.535 2.978 0.870) 8.149 3.803 ( 0.620 -7.968 -0.717) 8.024 6.110 ( 3.282 -6.731 -2.060) 7.767 6.235 ( 0.804 -4.258 1.244) 4.508 6.593 ( 2.578 -1.967 2.228) 3.935 7.035 ( 4.972 5.701 2.983) 8.131 7.284 ( -4.490 3.974 -1.706) 6.234 8.175 ( -5.331 2.218 0.636) 5.809 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 4.068 -9.636 -1.183) 10.526 2.294 ( 2.297 -7.673 3.551) 8.762 2.552 ( 1.854 -4.732 -0.929) 5.167 2.636 ( 1.618 -1.008 -0.923) 2.118 3.050 ( 1.212 -0.729 -1.388) 1.981 3.776 ( 3.743 -4.938 -0.017) 6.196 6.099 ( 3.742 -6.324 -1.679) 7.537 6.230 ( 2.679 -3.597 1.376) 4.691 6.590 ( -0.198 -3.998 2.161) 4.549 7.126 ( -3.845 4.797 2.733) 6.727 7.226 ( -2.972 2.187 -2.292) 4.344 8.158 ( -0.416 4.076 1.101) 4.243 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 0.000 0.724 3.668) 3.739 2.294 ( 0.000 1.274 7.770) 7.874 2.358 ( -0.000 -8.700 -2.705) 9.111 2.589 ( 0.000 -0.442 3.662) 3.688 2.813 ( -0.000 1.642 -4.501) 4.791 3.915 ( -0.000 -13.104 -4.488) 13.852 6.007 ( -0.000 -5.559 -0.224) 5.564 6.343 ( 0.000 -5.628 0.440) 5.646 6.419 ( 0.000 -1.648 0.071) 1.649 6.815 ( 0.000 8.333 2.448) 8.685 7.337 ( -0.000 5.745 -0.069) 5.746 8.382 ( -0.000 1.286 0.006) 1.286 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -0.025 -1.761 1.854) 2.557 2.254 ( 0.887 -8.313 -0.098) 8.361 2.344 ( 5.705 -8.430 -0.413) 10.188 2.629 ( 1.520 0.234 7.767) 7.918 2.832 ( 0.429 6.214 -3.480) 7.134 3.765 ( 1.071 -15.935 -4.122) 16.494 5.975 ( 3.480 -7.596 -0.619) 8.379 6.272 ( -2.014 -3.914 0.147) 4.404 6.444 ( 4.069 -1.642 0.178) 4.392 6.918 ( 1.610 7.875 4.248) 9.092 7.386 ( -1.535 6.797 -0.661) 7.000 8.364 ( -3.844 1.749 -0.078) 4.224 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -0.899 -8.980 -3.179) 9.569 2.198 ( 3.074 -10.408 1.111) 10.909 2.376 ( 7.093 -6.437 0.114) 9.579 2.635 ( -0.183 -3.729 2.267) 4.368 2.945 ( 2.997 8.779 1.952) 9.479 3.639 ( 4.066 -15.768 -3.137) 16.583 5.960 ( 4.432 -8.806 -1.406) 9.959 6.213 ( -1.419 -2.244 0.628) 2.728 6.505 ( 4.668 -2.365 0.715) 5.282 7.046 ( 3.236 7.006 5.212) 9.312 7.405 ( -3.956 6.995 -1.876) 8.252 8.297 ( -5.951 2.364 0.375) 6.414 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 2.779 -12.222 -3.182) 12.932 2.158 ( 3.947 -11.435 3.139) 12.498 2.435 ( 5.400 -5.727 0.650) 7.898 2.599 ( 0.504 -2.810 -0.013) 2.855 3.055 ( 0.670 4.732 1.349) 4.966 3.591 ( 7.745 -12.410 -2.881) 14.910 5.948 ( 4.889 -8.527 -1.636) 9.965 6.187 ( -0.067 -1.156 1.223) 1.684 6.535 ( 1.991 -4.330 1.186) 4.911 7.180 ( 3.165 5.646 4.902) 8.119 7.368 ( -7.602 6.530 -3.379) 10.576 8.237 ( -4.103 3.472 1.577) 5.601 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( -0.000 -3.433 -1.759) 3.857 2.147 ( 0.000 -9.642 1.806) 9.810 2.189 ( -0.000 -11.947 -1.908) 12.098 2.635 ( 0.000 -2.366 5.792) 6.256 2.899 ( 0.000 9.758 1.339) 9.849 3.558 ( -0.000 -20.539 -4.859) 21.106 5.865 ( 0.000 -8.620 -0.101) 8.620 6.260 ( -0.000 -2.329 -0.721) 2.438 6.396 ( 0.000 -0.632 0.014) 0.632 6.990 ( 0.000 6.539 5.932) 8.829 7.471 ( -0.000 8.342 -1.091) 8.413 8.417 ( -0.000 2.510 -0.543) 2.568 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -3.545 -13.120 -7.629) 15.585 2.043 ( 1.595 -12.779 0.145) 12.879 2.194 ( 7.354 -5.121 2.826) 9.397 2.605 ( -0.170 -5.279 1.680) 5.543 3.018 ( 0.786 9.346 6.589) 11.462 3.368 ( 4.149 -21.110 -5.572) 22.224 5.803 ( 2.910 -9.402 -0.307) 9.846 6.231 ( -1.569 -0.036 -0.371) 1.612 6.422 ( 3.153 -0.574 -0.025) 3.205 7.079 ( 1.846 4.946 6.895) 8.683 7.533 ( -2.412 9.153 -1.894) 9.653 8.409 ( -3.831 3.033 -0.504) 4.912 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -0.022 -16.586 -7.034) 18.016 1.968 ( 4.492 -14.273 1.707) 15.060 2.285 ( 6.768 -4.034 2.740) 8.342 2.554 ( 0.633 -5.283 -0.273) 5.328 3.098 ( 0.959 -2.352 8.483) 8.855 3.293 ( 8.304 -10.595 -8.075) 15.698 5.775 ( 4.613 -9.240 -0.775) 10.356 6.210 ( -1.778 1.574 0.411) 2.410 6.465 ( 2.593 -1.941 0.286) 3.252 7.185 ( 3.285 3.513 5.900) 7.612 7.550 ( -5.655 9.291 -2.729) 11.214 8.359 ( -5.315 3.585 0.840) 6.466 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -0.000 -16.502 -8.832) 18.716 1.866 ( -0.000 -18.212 -6.449) 19.320 2.115 ( 0.000 -0.790 6.855) 6.900 2.538 ( 0.000 -9.074 0.160) 9.076 3.038 ( 0.000 -21.252 7.889) 22.669 3.181 ( -0.000 6.425 -4.232) 7.693 5.687 ( 0.000 -9.345 0.310) 9.350 6.254 ( -0.000 2.096 -0.678) 2.203 6.397 ( -0.000 0.794 -0.222) 0.825 7.121 ( 0.000 2.531 8.144) 8.528 7.645 ( -0.000 10.379 -2.118) 10.592 8.471 ( -0.000 3.460 -1.315) 3.701 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -3.596 -19.876 -10.103) 22.585 1.729 ( 5.714 -17.945 -3.263) 19.113 2.170 ( 4.509 -1.363 4.949) 6.832 2.449 ( 2.628 -12.151 -0.847) 12.461 2.846 ( 5.178 -25.316 1.607) 25.890 3.279 ( -0.271 9.992 1.536) 10.113 5.623 ( 2.655 -8.819 0.175) 9.212 6.267 ( -1.565 3.730 -0.126) 4.046 6.422 ( 1.573 0.601 -0.225) 1.699 7.179 ( 2.111 0.835 7.778) 8.102 7.715 ( -3.196 10.690 -2.475) 11.428 8.471 ( -3.374 3.592 -0.819) 4.996 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -0.000 -19.848 -9.824) 22.146 1.426 ( -0.000 -21.862 -9.378) 23.789 2.140 ( 0.000 -0.450 5.232) 5.251 2.222 ( 0.000 -26.619 1.465) 26.659 2.599 ( -0.000 -17.190 -0.784) 17.208 3.387 ( 0.000 9.028 3.418) 9.654 5.520 ( 0.000 -7.927 0.700) 7.958 6.324 ( -0.000 4.902 -0.056) 4.902 6.422 ( -0.000 1.874 -0.422) 1.921 7.183 ( 0.000 -1.211 9.051) 9.132 7.843 ( -0.000 11.220 -2.398) 11.473 8.528 ( -0.000 3.214 -1.957) 3.763 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 0.000 -0.000 23.123) 23.123 0.419 ( 0.000 -0.000 23.123) 23.123 0.732 ( 0.000 -0.000 40.821) 40.821 2.117 ( -0.000 0.000 -3.665) 3.665 2.117 ( -0.000 0.000 -3.665) 3.665 4.038 ( -0.000 0.000 -10.146) 10.146 5.290 ( -0.000 0.000 -0.041) 0.041 5.290 ( -0.000 0.000 -0.041) 0.041 6.511 ( 0.000 -0.000 0.124) 0.124 6.511 ( 0.000 -0.000 0.124) 0.124 8.335 ( 0.000 -0.000 2.407) 2.407 8.686 ( -0.000 0.000 -1.022) 1.022 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 8.923 5.152 15.056) 18.244 0.644 ( 7.482 4.320 22.415) 24.022 1.217 ( 27.287 15.754 24.676) 40.020 2.133 ( 3.384 1.954 -5.125) 6.445 2.135 ( 1.539 0.889 -2.986) 3.475 3.654 ( -9.284 -5.360 -1.249) 10.793 5.324 ( 2.710 1.565 0.229) 3.138 6.408 ( 41.573 24.002 -41.551) 63.489 6.493 ( -1.442 -0.832 -0.011) 1.665 6.493 ( -1.798 -1.038 0.009) 2.077 8.289 ( -5.454 -3.149 3.637) 7.272 8.590 ( -5.286 -3.052 0.793) 6.155 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 14.433 8.333 6.608) 17.928 0.911 ( 11.348 6.552 12.669) 18.227 1.912 ( 28.191 16.276 11.983) 34.688 2.168 ( 2.049 1.183 -2.166) 3.207 2.230 ( 6.458 3.728 -3.771) 8.356 3.520 ( -3.343 -1.930 -4.088) 5.623 5.412 ( 4.976 2.873 0.371) 5.758 6.420 ( -4.324 -2.497 -0.436) 5.012 6.452 ( -2.051 -1.184 -0.112) 2.371 6.920 ( 17.545 10.129 -20.818) 29.049 8.122 ( -10.034 -5.793 5.339) 12.757 8.480 ( -4.716 -2.723 -3.235) 6.334 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 15.085 8.709 2.187) 17.555 1.211 ( 13.068 7.545 3.461) 15.481 2.214 ( 2.506 1.447 -1.163) 3.118 2.335 ( 8.523 4.921 -10.168) 14.151 2.560 ( 21.623 12.484 11.396) 27.446 3.470 ( -0.189 -0.109 -0.709) 0.742 5.547 ( 6.880 3.972 0.424) 7.956 6.309 ( -5.048 -2.914 -0.712) 5.872 6.407 ( -1.703 -0.983 -0.184) 1.975 7.169 ( 9.186 5.303 -9.741) 14.401 7.887 ( -12.167 -7.025 4.915) 14.884 8.358 ( -4.603 -2.658 -5.229) 7.456 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 13.318 7.689 -0.557) 15.388 1.509 ( 13.331 7.697 -2.632) 15.617 2.274 ( 2.921 1.687 0.046) 3.374 2.475 ( 6.516 3.762 -6.415) 9.888 2.965 ( 11.121 6.421 2.899) 13.165 3.530 ( 5.454 3.149 5.024) 8.056 5.715 ( 7.758 4.479 0.438) 8.969 6.211 ( -3.024 -1.746 -0.868) 3.598 6.380 ( -0.552 -0.319 -0.230) 0.678 7.277 ( 2.461 1.421 -6.302) 6.914 7.609 ( -13.621 -7.864 3.683) 16.154 8.270 ( -1.527 -0.882 -3.957) 4.332 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 9.981 5.763 -2.393) 11.771 1.788 ( 12.537 7.238 -5.632) 15.533 2.344 ( 3.113 1.797 1.298) 3.821 2.588 ( 4.802 2.772 -3.865) 6.759 3.083 ( 0.352 0.203 1.429) 1.485 3.713 ( 7.816 4.513 5.722) 10.686 5.884 ( 6.890 3.978 0.395) 7.966 6.185 ( 1.156 0.668 -1.030) 1.687 6.384 ( 0.876 0.506 -0.212) 1.034 7.238 ( -5.869 -3.389 -7.936) 10.436 7.329 ( -9.739 -5.623 4.858) 12.250 8.268 ( 1.639 0.946 -1.412) 2.361 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 6.278 3.625 -3.212) 7.929 2.033 ( 10.933 6.312 -6.702) 14.293 2.413 ( 2.368 1.367 2.103) 3.450 2.661 ( 2.325 1.342 -2.347) 3.566 3.041 ( -3.798 -2.193 1.657) 4.688 3.870 ( 4.563 2.635 4.800) 7.128 6.013 ( 4.372 2.524 0.257) 5.055 6.259 ( 5.632 3.251 -1.223) 6.617 6.414 ( 1.667 0.962 -0.101) 1.928 6.978 ( -12.349 -7.130 -1.871) 14.382 7.234 ( -2.250 -1.299 -0.143) 2.602 8.312 ( 2.090 1.207 -0.143) 2.418 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 3.281 1.895 -2.902) 4.773 2.234 ( 8.461 4.885 -6.174) 11.557 2.450 ( 0.103 0.060 2.119) 2.123 2.674 ( -0.470 -0.271 -1.173) 1.293 2.948 ( -4.193 -2.421 -0.442) 4.862 3.946 ( 0.924 0.533 5.058) 5.169 6.078 ( 1.376 0.794 0.107) 1.592 6.419 ( 8.589 4.959 -1.522) 10.034 6.445 ( 0.873 0.504 0.015) 1.009 6.718 ( -10.202 -5.890 0.316) 11.784 7.207 ( -0.116 -0.067 0.125) 0.183 8.348 ( 0.954 0.551 0.108) 1.107 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 0.828 0.478 -1.535) 1.809 2.352 ( 2.010 1.160 -1.124) 2.578 2.423 ( -3.025 -1.746 1.266) 3.715 2.665 ( 1.364 0.787 -2.034) 2.573 2.862 ( -2.879 -1.662 -3.615) 4.911 3.935 ( -3.359 -1.939 4.633) 6.042 6.076 ( -1.592 -0.919 0.020) 1.838 6.446 ( -0.777 -0.449 0.058) 0.900 6.470 ( -7.057 -4.074 0.735) 8.182 6.679 ( 9.649 5.571 -1.414) 11.231 7.231 ( 2.063 1.191 1.096) 2.622 8.357 ( -0.115 -0.066 0.484) 0.501 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( -2.613 -1.509 1.615) 3.423 2.294 ( -7.127 -4.115 5.720) 10.022 2.328 ( -4.972 -2.871 -1.233) 5.873 2.728 ( 1.026 0.592 1.700) 2.072 2.824 ( 3.900 2.251 -10.255) 11.200 3.807 ( -9.385 -5.419 2.446) 11.110 6.005 ( -4.739 -2.736 -0.093) 5.473 6.321 ( -5.705 -3.294 1.699) 6.804 6.419 ( -1.436 -0.829 0.106) 1.662 6.914 ( 10.856 6.268 -4.100) 13.189 7.306 ( 4.204 2.427 2.211) 5.335 8.356 ( 0.090 0.052 1.704) 1.707 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -9.423 -5.441 6.309) 12.578 2.093 ( -12.345 -7.127 8.231) 16.460 2.225 ( -2.833 -1.636 -5.056) 6.022 2.675 ( -4.262 -2.461 0.280) 4.929 2.981 ( 9.584 5.533 -5.539) 12.375 3.519 ( -16.497 -9.524 -1.168) 19.084 5.867 ( -7.269 -4.197 -0.312) 8.399 6.239 ( -1.867 -1.078 1.539) 2.649 6.394 ( -0.654 -0.378 0.227) 0.789 7.108 ( 7.348 4.242 -7.111) 11.071 7.436 ( 6.801 3.927 3.065) 8.430 8.382 ( 1.712 0.988 3.252) 3.805 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -14.770 -8.527 8.249) 18.945 1.796 ( -16.295 -9.408 9.129) 20.913 2.170 ( -0.939 -0.542 -5.698) 5.801 2.544 ( -7.993 -4.615 -1.128) 9.298 3.044 ( -20.239 -11.685 5.350) 23.975 3.212 ( 7.248 4.185 -9.809) 12.894 5.691 ( -7.981 -4.608 -0.559) 9.232 6.247 ( 2.097 1.211 0.866) 2.571 6.394 ( 0.629 0.363 0.359) 0.810 7.193 ( 2.462 1.421 -8.045) 8.533 7.624 ( 9.001 5.197 2.521) 10.695 8.450 ( 3.174 1.832 3.487) 5.059 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 0.000 18.785 12.837) 22.752 0.794 ( 0.000 15.923 18.148) 24.143 1.199 ( 0.000 21.110 30.380) 36.994 2.068 ( -0.000 -0.955 -5.754) 5.833 2.171 ( -0.000 6.374 -3.820) 7.431 3.646 ( -0.000 -12.009 -2.795) 12.330 5.307 ( -0.000 2.364 -0.232) 2.375 6.282 ( -0.000 46.436 -35.726) 58.589 6.489 ( -0.000 -1.363 -0.734) 1.548 6.502 ( 0.000 -1.266 0.233) 1.287 8.297 ( 0.000 -6.358 3.593) 7.303 8.609 ( -0.000 -3.972 -0.120) 3.974 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -0.500 22.266 7.960) 23.651 0.965 ( 0.468 14.411 18.426) 23.397 1.712 ( 20.283 21.478 16.311) 33.745 2.088 ( 5.111 -0.085 -4.160) 6.590 2.233 ( 0.541 7.763 -4.322) 8.901 3.518 ( -2.142 -5.636 -5.295) 8.024 5.370 ( 3.541 3.579 0.046) 5.035 6.436 ( -1.640 -3.728 -0.705) 4.133 6.474 ( -1.490 -1.382 0.138) 2.037 6.706 ( 14.406 21.030 -24.239) 35.176 8.190 ( -4.851 -9.311 4.725) 11.513 8.533 ( -4.539 -2.090 -2.287) 5.496 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 3.067 16.466 12.477) 20.886 1.211 ( 5.279 17.524 3.622) 18.657 2.110 ( 8.650 2.074 -6.389) 10.952 2.301 ( 2.551 10.961 -7.360) 13.447 2.386 ( 18.536 13.393 13.552) 26.583 3.447 ( 0.399 -2.859 -3.450) 4.498 5.489 ( 5.418 5.169 0.316) 7.495 6.345 ( -3.747 -4.485 -0.664) 5.881 6.435 ( -1.890 -0.506 -0.077) 1.958 7.015 ( 11.862 8.534 -13.087) 19.616 7.997 ( -8.406 -9.869 5.070) 13.920 8.411 ( -6.053 -2.057 -4.484) 7.809 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 6.617 12.305 7.827) 16.015 1.485 ( 6.834 17.074 -2.207) 18.522 2.228 ( 5.463 2.289 -2.726) 6.521 2.407 ( 4.058 6.492 -6.743) 10.202 2.844 ( 14.151 11.017 4.987) 18.614 3.471 ( 4.870 0.367 1.944) 5.256 5.650 ( 6.575 6.519 0.509) 9.273 6.238 ( -3.480 -3.597 -0.743) 5.060 6.406 ( -1.616 1.001 -0.276) 1.920 7.192 ( 6.671 1.929 -7.842) 10.475 7.752 ( -11.226 -9.292 4.341) 15.206 8.288 ( -3.972 -1.817 -4.294) 6.125 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 8.133 9.545 2.461) 12.779 1.745 ( 6.528 14.599 -3.965) 16.476 2.328 ( 3.242 4.338 -0.273) 5.423 2.521 ( 5.080 4.042 -4.504) 7.901 3.062 ( 3.902 2.465 0.585) 4.652 3.629 ( 8.797 3.880 4.972) 10.824 5.829 ( 6.328 7.078 0.651) 9.516 6.173 ( -0.578 -1.425 -0.809) 1.737 6.401 ( -0.866 2.590 -0.404) 2.761 7.227 ( 0.422 -2.212 -7.453) 7.786 7.476 ( -12.478 -7.668 3.964) 15.173 8.237 ( 0.755 -1.102 -1.888) 2.313 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 6.739 7.138 -0.295) 9.820 1.962 ( 6.036 11.730 -5.328) 14.228 2.420 ( 1.758 5.298 1.242) 5.718 2.618 ( 3.756 2.267 -2.754) 5.180 3.076 ( -1.944 -1.539 0.754) 2.591 3.813 ( 6.824 2.691 4.248) 8.477 5.989 ( 4.209 6.602 0.677) 7.859 6.195 ( 3.745 1.086 -0.962) 4.016 6.423 ( -0.022 3.525 -0.392) 3.547 7.096 ( -9.316 -5.840 -5.457) 12.275 7.273 ( -5.132 -2.979 2.403) 6.403 8.264 ( 3.338 -1.198 -0.179) 3.550 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 3.139 5.291 -1.801) 6.410 2.151 ( 6.471 8.712 -5.764) 12.288 2.488 ( -0.509 4.902 2.078) 5.349 2.668 ( 1.113 0.789 -1.779) 2.242 2.997 ( -4.546 -2.647 -0.311) 5.269 3.928 ( 3.583 0.459 4.664) 5.899 6.093 ( 0.908 5.430 0.470) 5.525 6.305 ( 7.163 2.133 -1.049) 7.547 6.463 ( 0.587 3.914 -0.339) 3.972 6.849 ( -11.249 -4.821 -1.273) 12.304 7.214 ( -1.139 -0.761 0.299) 1.402 8.306 ( 3.149 -1.966 0.165) 3.716 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 0.535 3.448 -1.970) 4.006 2.304 ( 4.997 5.124 -4.563) 8.488 2.500 ( -3.768 3.286 2.305) 5.505 2.668 ( -0.794 0.851 -1.370) 1.798 2.891 ( -4.138 -2.352 -2.511) 5.381 3.968 ( -0.301 -1.387 5.163) 5.355 6.125 ( -2.466 3.629 0.236) 4.394 6.410 ( 2.945 -1.782 -0.315) 3.456 6.534 ( 1.656 3.984 -1.264) 4.496 6.659 ( -5.080 1.093 0.597) 5.231 7.214 ( 1.093 0.467 0.613) 1.337 8.327 ( 2.071 -2.754 0.208) 3.452 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -1.497 0.655 -0.642) 1.756 2.354 ( -2.024 -0.404 0.312) 2.087 2.437 ( -6.921 1.362 2.126) 7.367 2.696 ( 3.052 3.876 -2.167) 5.388 2.805 ( -2.450 -1.127 -5.365) 6.004 3.908 ( -6.092 -3.430 4.133) 8.121 6.082 ( -5.397 1.000 0.177) 5.492 6.364 ( -3.586 -4.735 0.695) 5.980 6.483 ( -4.757 2.278 0.375) 5.287 6.799 ( 9.243 7.543 -2.704) 12.233 7.262 ( 3.406 1.082 1.407) 3.840 8.330 ( 1.747 -2.961 0.831) 3.537 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -5.114 -4.461 3.323) 7.557 2.242 ( -8.875 -3.016 2.571) 9.720 2.322 ( -8.246 1.831 0.120) 8.448 2.709 ( -2.777 -2.954 0.407) 4.075 2.865 ( 8.238 6.982 -7.593) 13.201 3.707 ( -13.884 -5.932 1.976) 15.227 5.968 ( -7.891 -1.334 0.135) 8.004 6.263 ( -3.018 -3.128 1.078) 4.478 6.443 ( -3.505 2.838 0.273) 4.519 7.009 ( 8.208 6.316 -5.648) 11.797 7.359 ( 6.126 1.489 2.382) 6.739 8.345 ( 2.853 -2.267 1.938) 4.127 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -11.509 -10.113 7.857) 17.218 2.027 ( -13.774 -3.822 3.666) 14.757 2.224 ( -5.699 3.601 -3.823) 7.750 2.613 ( -5.055 -3.471 -0.469) 6.150 3.071 ( 10.031 6.151 -4.495) 12.596 3.338 ( -22.015 -8.054 0.639) 23.450 5.802 ( -9.313 -2.407 -0.023) 9.619 6.226 ( 0.689 -0.972 0.752) 1.409 6.421 ( -2.142 2.510 0.232) 3.307 7.143 ( 3.928 3.949 -7.394) 9.257 7.514 ( 9.120 2.237 2.639) 9.754 8.397 ( 4.446 -1.270 2.231) 5.134 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 0.000 21.559 7.125) 22.706 1.210 ( 0.000 17.112 13.047) 21.518 1.827 ( 0.000 27.437 19.361) 33.581 2.015 ( -0.000 -0.594 -6.913) 6.939 2.298 ( -0.000 8.782 -5.473) 10.348 3.456 ( -0.000 -6.309 -5.660) 8.476 5.381 ( -0.000 5.366 -0.101) 5.367 6.410 ( -0.000 -4.117 -0.476) 4.144 6.469 ( 0.000 -2.126 0.152) 2.131 6.734 ( -0.000 19.637 -19.277) 27.517 8.139 ( 0.000 -11.588 4.307) 12.363 8.547 ( -0.000 -1.989 -3.171) 3.743 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 0.467 20.181 2.933) 20.398 1.381 ( -3.008 18.086 14.080) 23.117 2.006 ( 3.781 2.844 -7.411) 8.792 2.296 ( 14.395 20.554 13.956) 28.714 2.364 ( 0.097 9.573 -8.259) 12.643 3.390 ( 0.638 -4.387 -3.626) 5.727 5.471 ( 3.457 6.717 0.215) 7.558 6.347 ( -2.146 -4.704 -0.392) 5.185 6.445 ( -0.390 -1.497 -0.022) 1.547 6.906 ( 6.973 10.728 -12.330) 17.769 8.003 ( -3.654 -12.149 4.101) 13.333 8.476 ( -4.666 -1.911 -4.316) 6.637 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -1.355 15.162 9.172) 17.772 1.587 ( 1.926 19.663 1.864) 19.845 2.122 ( 8.165 3.619 -5.778) 10.637 2.419 ( 0.856 6.502 -6.052) 8.924 2.754 ( 12.823 15.779 4.398) 20.803 3.394 ( 4.112 -0.824 1.288) 4.387 5.621 ( 5.490 8.092 0.656) 9.801 6.254 ( -3.212 -4.062 -0.573) 5.210 6.432 ( -0.365 0.407 -0.416) 0.687 7.069 ( 7.273 2.975 -7.526) 10.880 7.814 ( -6.502 -11.307 3.826) 13.593 8.346 ( -6.269 -1.831 -4.599) 7.988 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 1.707 12.640 5.182) 13.767 1.813 ( 2.913 17.149 -0.197) 17.396 2.289 ( 7.087 5.645 -2.439) 9.383 2.488 ( 2.596 5.088 -4.591) 7.329 3.012 ( 5.702 4.559 -0.718) 7.336 3.534 ( 8.412 4.441 4.619) 10.575 5.807 ( 6.076 9.024 1.059) 10.930 6.174 ( -1.987 -2.201 -0.695) 3.046 6.440 ( -0.294 2.689 -0.849) 2.835 7.148 ( 3.810 -1.997 -6.153) 7.507 7.592 ( -9.131 -9.241 3.365) 13.420 8.232 ( -3.163 -1.767 -2.982) 4.693 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 3.560 10.618 3.421) 11.710 2.004 ( 2.543 13.665 -2.679) 14.155 2.442 ( 3.885 7.261 -0.017) 8.235 2.573 ( 3.527 3.501 -2.649) 5.631 3.076 ( 0.912 -0.670 -0.505) 1.239 3.728 ( 7.530 3.513 3.099) 8.869 5.992 ( 4.870 8.766 1.426) 10.129 6.155 ( 1.368 0.340 -0.904) 1.675 6.466 ( -0.344 4.165 -1.113) 4.325 7.121 ( -1.670 -3.919 -6.191) 7.515 7.367 ( -8.959 -5.731 3.175) 11.099 8.196 ( 1.611 -2.452 -0.778) 3.035 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 2.251 8.621 1.899) 9.110 2.154 ( 2.832 10.360 -4.085) 11.491 2.552 ( 0.783 6.361 1.577) 6.600 2.647 ( 2.304 2.554 -1.572) 3.782 3.044 ( -3.166 -1.012 -1.058) 3.488 3.862 ( 5.544 0.085 2.856) 6.237 6.133 ( 2.287 6.713 1.421) 7.233 6.224 ( 4.815 2.971 -1.032) 5.751 6.497 ( -0.261 3.866 -1.111) 4.030 6.978 ( -8.676 -2.923 -3.188) 9.694 7.237 ( -3.057 -1.815 1.345) 3.801 8.216 ( 3.823 -3.697 0.107) 5.319 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -0.649 6.596 0.103) 6.628 2.280 ( 3.327 7.140 -3.849) 8.767 2.590 ( -1.950 2.182 2.218) 3.672 2.690 ( 0.109 2.897 -0.649) 2.970 2.957 ( -5.959 1.019 -3.070) 6.780 3.938 ( 3.468 -2.155 3.921) 5.661 6.207 ( -1.082 5.148 0.756) 5.314 6.333 ( 4.742 1.342 -0.640) 4.970 6.533 ( 1.468 2.669 -1.132) 3.249 6.806 ( -9.251 2.095 -0.262) 9.489 7.210 ( -0.123 0.108 0.345) 0.382 8.240 ( 3.733 -4.798 0.125) 6.080 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( -3.113 3.634 -0.429) 4.804 2.366 ( 1.287 3.314 -2.337) 4.255 2.552 ( -4.103 -0.020 2.464) 4.786 2.709 ( -0.047 1.844 0.326) 1.873 2.862 ( -6.340 4.053 -5.245) 9.173 3.950 ( -0.809 -3.239 3.928) 5.155 6.192 ( -5.077 2.260 0.534) 5.583 6.363 ( -0.645 -2.644 -0.080) 2.723 6.572 ( -0.890 2.062 -0.714) 2.357 6.773 ( 0.601 8.920 -0.681) 8.966 7.228 ( 1.738 0.403 0.609) 1.885 8.249 ( 3.236 -5.210 0.266) 6.139 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -5.423 -1.076 1.073) 5.632 2.351 ( -4.886 -0.103 -0.202) 4.891 2.475 ( -6.536 1.520 1.611) 6.901 2.713 ( -0.787 -3.221 1.488) 3.635 2.837 ( 0.183 8.842 -6.732) 11.114 3.855 ( -7.911 -3.991 2.664) 9.252 6.096 ( -7.509 -0.074 0.812) 7.553 6.289 ( -3.561 -3.166 0.090) 4.766 6.551 ( -4.373 4.126 -0.055) 6.012 6.931 ( 6.891 8.027 -3.643) 11.189 7.282 ( 4.311 -0.152 1.535) 4.579 8.259 ( 3.719 -4.584 0.742) 5.949 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -9.205 -5.981 4.340) 11.804 2.206 ( -10.602 -1.765 -0.354) 10.754 2.379 ( -7.906 3.642 -0.541) 8.722 2.645 ( -2.951 -3.219 -0.252) 4.374 2.972 ( 6.958 6.744 -3.848) 10.426 3.616 ( -16.499 -4.138 2.034) 17.131 5.949 ( -9.542 -0.855 0.927) 9.625 6.217 ( -1.460 -1.966 -0.099) 2.451 6.509 ( -4.620 3.191 -0.201) 5.618 7.095 ( 5.262 6.213 -5.898) 10.053 7.385 ( 7.824 -0.460 2.666) 8.279 8.296 ( 5.038 -3.377 0.671) 6.102 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 0.000 19.545 3.205) 19.806 1.599 ( 0.000 16.383 7.515) 18.024 1.970 ( -0.000 0.029 -5.908) 5.908 2.402 ( 0.000 8.215 2.636) 8.627 2.463 ( -0.000 25.098 -0.738) 25.109 3.335 ( -0.000 -3.315 -0.755) 3.400 5.513 ( 0.000 8.134 0.242) 8.138 6.322 ( -0.000 -4.253 -0.145) 4.256 6.427 ( -0.000 -2.007 -0.069) 2.008 6.913 ( -0.000 8.047 -8.906) 12.003 7.920 ( 0.000 -12.936 3.101) 13.303 8.485 ( -0.000 -2.012 -4.646) 5.062 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -2.264 14.796 -2.664) 15.203 1.791 ( -0.165 16.620 10.141) 19.470 2.013 ( 6.337 3.439 -5.586) 9.121 2.445 ( 0.440 4.766 -7.601) 8.982 2.771 ( 6.134 18.539 3.067) 19.767 3.345 ( 2.437 1.577 4.198) 5.104 5.629 ( 3.516 9.148 0.572) 9.817 6.263 ( -2.259 -3.372 -0.398) 4.078 6.421 ( 1.108 -0.809 -0.359) 1.418 6.982 ( 3.797 2.727 -5.511) 7.227 7.781 ( -2.556 -12.401 2.409) 12.889 8.412 ( -4.534 -1.772 -4.668) 6.745 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 0.022 10.606 -2.093) 10.811 1.969 ( -0.299 15.338 7.037) 16.879 2.198 ( 9.639 7.280 -3.675) 12.626 2.485 ( 1.807 4.145 -6.232) 7.699 2.971 ( 3.872 4.603 -0.503) 6.036 3.487 ( 5.749 8.624 5.931) 11.941 5.803 ( 5.592 9.851 1.051) 11.376 6.192 ( -2.616 -1.722 -0.694) 3.208 6.446 ( 1.691 1.413 -0.997) 2.419 7.042 ( 4.202 -1.978 -3.802) 6.002 7.615 ( -4.468 -10.769 2.037) 11.836 8.290 ( -6.018 -1.319 -3.746) 7.211 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 2.856 9.853 0.710) 10.283 2.112 ( 0.153 11.790 1.674) 11.910 2.419 ( 7.320 8.415 -0.225) 11.156 2.553 ( 3.048 4.462 -3.534) 6.457 3.030 ( 2.748 -1.410 -0.222) 3.097 3.676 ( 4.861 7.062 2.712) 8.992 5.999 ( 5.528 9.531 1.594) 11.132 6.152 ( -0.807 0.557 -0.925) 1.348 6.492 ( 1.319 3.136 -1.666) 3.788 7.059 ( 2.448 -3.638 -3.553) 5.644 7.440 ( -6.013 -7.963 1.865) 10.151 8.184 ( -3.434 -1.627 -1.900) 4.248 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 2.950 9.267 2.308) 9.995 2.217 ( 0.528 9.021 -1.264) 9.124 2.569 ( 3.073 3.700 0.486) 4.834 2.650 ( 2.300 6.049 -0.277) 6.478 3.058 ( 1.585 0.406 -0.815) 1.828 3.789 ( 3.394 1.395 0.830) 3.762 6.149 ( 2.344 4.401 1.464) 5.197 6.197 ( 3.664 5.982 -0.604) 7.041 6.528 ( 0.035 2.434 -1.958) 3.124 7.038 ( -1.267 -0.961 -3.084) 3.470 7.287 ( -5.034 -4.116 1.694) 6.720 8.135 ( 0.602 -3.318 -0.407) 3.396 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 0.094 8.106 2.055) 8.363 2.304 ( 1.204 6.973 -2.100) 7.382 2.615 ( 0.283 0.437 0.303) 0.603 2.706 ( 0.195 0.563 1.409) 1.529 3.083 ( -3.366 8.040 -2.763) 9.143 3.844 ( 4.500 -3.494 1.668) 5.936 6.232 ( 3.113 3.525 0.392) 4.719 6.307 ( 1.882 4.617 0.215) 4.990 6.529 ( -0.071 -0.295 -1.558) 1.587 6.980 ( -6.493 4.648 -0.976) 8.044 7.219 ( -0.983 -0.671 0.507) 1.294 8.127 ( 3.102 -5.308 0.039) 6.148 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -3.940 5.962 0.933) 7.207 2.376 ( 1.151 4.468 -1.721) 4.924 2.596 ( -1.836 -1.247 1.196) 2.521 2.698 ( 0.587 -3.042 0.654) 3.166 3.068 ( -8.858 11.592 -3.514) 15.006 3.888 ( 4.512 -4.996 2.495) 7.179 6.284 ( -2.520 2.431 0.551) 3.545 6.343 ( 0.716 -0.144 -0.336) 0.804 6.544 ( 3.290 -0.102 -1.004) 3.442 6.934 ( -6.447 9.666 0.182) 11.620 7.216 ( 0.228 0.164 -0.078) 0.292 8.131 ( 3.936 -6.124 0.057) 7.280 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( -7.191 1.543 0.943) 7.415 2.404 ( -1.345 1.574 -1.454) 2.530 2.559 ( -2.294 0.474 1.199) 2.631 2.682 ( 0.967 -3.402 1.333) 3.780 3.002 ( -9.319 9.926 -3.281) 14.005 3.892 ( -0.130 -4.194 1.646) 4.507 6.211 ( -6.160 -0.397 0.925) 6.242 6.321 ( -2.643 -1.388 -0.313) 3.002 6.608 ( 2.178 1.769 -1.380) 3.127 6.961 ( -1.572 10.086 -0.826) 10.242 7.226 ( 1.803 -1.236 0.510) 2.245 8.144 ( 4.257 -5.125 0.117) 6.664 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -9.094 -2.221 2.084) 9.591 2.337 ( -6.590 -0.859 -1.849) 6.898 2.522 ( -4.857 2.591 0.257) 5.511 2.655 ( -1.475 -3.079 1.621) 3.780 2.976 ( -1.410 6.842 -1.899) 7.239 3.796 ( -7.875 -2.748 0.828) 8.382 6.094 ( -7.661 -0.556 1.517) 7.830 6.244 ( -3.889 -1.289 -0.793) 4.173 6.609 ( -3.482 1.592 -1.415) 4.082 7.064 ( 3.856 7.295 -3.475) 8.953 7.267 ( 5.081 -2.571 2.159) 6.090 8.179 ( 4.774 -3.140 -0.209) 5.718 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -0.000 7.464 -7.575) 10.634 1.909 ( -0.000 14.200 -2.824) 14.479 2.002 ( 0.000 7.623 6.587) 10.075 2.453 ( -0.000 3.208 -8.826) 9.391 2.892 ( 0.000 11.953 2.690) 12.252 3.390 ( 0.000 9.086 7.703) 11.912 5.691 ( 0.000 9.579 0.534) 9.594 6.257 ( -0.000 -1.954 -0.689) 2.072 6.396 ( -0.000 -0.953 -0.284) 0.994 6.957 ( -0.000 0.417 -3.053) 3.081 7.686 ( 0.000 -12.150 1.120) 12.202 8.422 ( -0.000 -1.580 -4.453) 4.725 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -0.772 5.840 -6.495) 8.768 2.087 ( 5.226 5.757 -5.042) 9.267 2.135 ( 3.561 13.706 5.096) 15.050 2.471 ( 1.325 3.279 -6.042) 7.001 2.972 ( 0.513 1.847 2.867) 3.448 3.554 ( 2.074 14.401 6.659) 16.001 5.819 ( 3.846 9.610 0.732) 10.377 6.222 ( -2.213 -0.310 -1.143) 2.510 6.413 ( 2.445 0.412 -0.661) 2.566 6.959 ( 2.058 -2.676 -1.252) 3.600 7.561 ( -1.630 -10.859 0.318) 10.985 8.359 ( -4.184 -1.002 -3.701) 5.675 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 3.529 6.850 -2.522) 8.108 2.183 ( 2.653 4.767 -2.599) 6.043 2.381 ( 8.253 11.559 1.397) 14.271 2.526 ( 2.870 3.650 -3.363) 5.733 2.980 ( 0.673 -2.890 3.212) 4.373 3.729 ( 1.001 11.655 2.872) 12.046 5.999 ( 5.801 9.131 1.106) 10.875 6.185 ( -2.085 1.604 -1.329) 2.947 6.472 ( 3.165 1.867 -1.446) 3.949 6.964 ( 3.065 -4.436 -0.481) 5.414 7.429 ( -2.615 -8.753 0.060) 9.135 8.255 ( -5.925 -0.463 -2.397) 6.408 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 5.082 7.599 0.439) 9.152 2.264 ( 2.519 4.509 -1.957) 5.523 2.558 ( 2.243 3.843 1.357) 4.652 2.653 ( 5.563 7.353 -1.326) 9.315 2.990 ( 4.371 -2.507 2.360) 5.564 3.811 ( -1.777 5.721 -0.138) 5.992 6.162 ( 2.111 4.757 1.096) 5.319 6.200 ( 2.584 6.041 -0.837) 6.624 6.527 ( 1.496 1.254 -2.010) 2.802 6.987 ( 4.264 -2.294 -0.486) 4.866 7.310 ( -2.976 -5.790 0.291) 6.516 8.150 ( -4.859 -1.011 -1.041) 5.071 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 3.540 6.899 0.969) 7.814 2.343 ( 1.826 5.026 -0.802) 5.407 2.608 ( 1.116 0.968 0.285) 1.505 2.713 ( -1.460 -1.418 1.138) 2.332 3.135 ( 7.747 7.680 0.126) 10.910 3.790 ( -2.496 -1.117 -0.750) 2.836 6.222 ( 1.945 4.002 -0.188) 4.454 6.319 ( 2.810 4.786 0.744) 5.600 6.522 ( -0.971 -1.672 -1.658) 2.547 7.057 ( 2.795 3.422 -0.786) 4.488 7.229 ( -1.725 -2.355 0.625) 2.985 8.069 ( -2.073 -3.044 -0.245) 3.691 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 0.149 5.330 0.334) 5.343 2.411 ( 0.016 5.266 0.228) 5.271 2.612 ( -1.543 -1.117 0.307) 1.930 2.649 ( -0.004 -5.296 0.443) 5.315 3.303 ( -2.605 14.012 -1.454) 14.326 3.743 ( 3.633 -7.642 0.715) 8.492 6.301 ( 2.512 3.485 -0.121) 4.297 6.371 ( -1.526 2.054 0.398) 2.590 6.482 ( 1.257 -3.121 -0.835) 3.467 7.108 ( -2.834 7.062 0.122) 7.610 7.214 ( 0.361 -0.015 -0.192) 0.409 8.024 ( 1.370 -4.755 -0.016) 4.948 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( -6.770 2.281 0.648) 7.173 2.433 ( -1.120 1.646 -0.443) 2.040 2.582 ( 0.638 -0.306 0.964) 1.195 2.629 ( 1.129 -3.070 0.291) 3.284 3.276 ( -12.179 9.149 -1.117) 15.274 3.786 ( 7.266 -5.389 0.338) 9.052 6.308 ( -5.656 -0.163 0.469) 5.678 6.343 ( -0.454 0.632 -0.037) 0.779 6.533 ( 5.821 -0.258 -1.232) 5.955 7.119 ( -4.445 7.816 0.401) 9.001 7.201 ( -0.715 -2.103 -0.346) 2.248 8.029 ( 3.957 -3.458 -0.042) 5.255 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -9.341 -1.059 1.257) 9.484 2.403 ( -3.092 -0.533 -2.059) 3.753 2.595 ( -1.573 1.841 0.213) 2.431 2.635 ( 1.738 -1.718 2.582) 3.555 3.131 ( -10.180 3.111 0.050) 10.645 3.828 ( 1.070 -1.805 -0.864) 2.269 6.206 ( -6.171 -0.256 0.919) 6.244 6.306 ( -3.805 -0.061 -0.300) 3.817 6.614 ( 3.087 -0.058 -2.299) 3.849 7.099 ( -2.405 1.811 -1.086) 3.200 7.189 ( 1.757 -1.268 1.220) 2.486 8.083 ( 4.432 -0.358 -0.318) 4.458 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -0.000 2.266 -6.401) 6.790 2.054 ( -0.000 4.930 -10.956) 12.014 2.241 ( 0.000 10.208 4.731) 11.251 2.486 ( -0.000 4.489 -2.192) 4.995 2.984 ( 0.000 -1.623 4.991) 5.248 3.710 ( 0.000 15.993 5.256) 16.834 5.875 ( 0.000 8.581 0.523) 8.597 6.245 ( -0.000 1.575 -1.944) 2.502 6.391 ( -0.000 0.659 -0.314) 0.730 6.910 ( 0.000 -4.085 0.712) 4.147 7.472 ( -0.000 -9.701 -0.908) 9.744 8.377 ( -0.000 -0.664 -3.106) 3.176 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 3.268 3.760 -3.294) 5.972 2.104 ( 5.441 1.130 -9.924) 11.374 2.382 ( 4.646 9.271 2.613) 10.694 2.534 ( 0.543 4.500 0.044) 4.533 2.965 ( -0.759 -3.879 5.191) 6.524 3.862 ( -0.777 12.967 2.442) 13.218 5.992 ( 4.427 7.413 0.528) 8.650 6.240 ( -2.155 3.200 -2.073) 4.380 6.429 ( 2.992 1.607 -0.708) 3.469 6.879 ( 1.426 -5.423 1.694) 5.858 7.375 ( -0.955 -7.720 -1.377) 7.900 8.332 ( -3.819 -0.109 -2.131) 4.374 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 6.410 5.769 0.352) 8.631 2.190 ( 6.829 0.182 -6.176) 9.209 2.577 ( 1.848 4.822 2.162) 5.599 2.593 ( 7.509 6.010 -1.400) 9.719 2.925 ( 0.018 -4.929 4.909) 6.956 3.932 ( -3.627 8.075 -0.296) 8.857 6.151 ( 5.593 5.589 0.682) 7.937 6.240 ( -1.319 4.838 -1.626) 5.272 6.496 ( 2.821 1.404 -1.251) 3.391 6.875 ( 4.221 -5.060 1.668) 6.798 7.288 ( -1.292 -5.125 -1.090) 5.396 8.243 ( -6.037 0.219 -1.100) 6.140 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 5.592 5.262 0.727) 7.713 2.299 ( 6.681 1.373 -2.332) 7.208 2.608 ( 0.183 1.152 0.672) 1.346 2.732 ( -0.512 0.475 -0.331) 0.773 2.991 ( 12.205 0.755 3.284) 12.662 3.894 ( -7.052 3.370 -1.591) 7.976 6.243 ( 0.772 4.266 -0.371) 4.351 6.308 ( 3.163 3.666 0.221) 4.847 6.520 ( -0.401 -0.525 -0.983) 1.185 6.957 ( 8.868 -1.381 0.583) 8.994 7.231 ( -1.017 -2.206 -0.298) 2.448 8.133 ( -6.544 -0.320 -0.390) 6.564 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 3.625 2.651 0.007) 4.491 2.418 ( 5.077 2.966 -0.464) 5.898 2.613 ( -0.115 -1.186 0.188) 1.207 2.652 ( -5.071 -3.081 0.216) 5.938 3.278 ( 15.497 4.305 1.261) 16.133 3.760 ( -9.802 -0.403 -1.110) 9.873 6.302 ( 1.529 3.967 -0.254) 4.259 6.372 ( 2.777 -0.184 0.358) 2.806 6.477 ( -3.205 -1.008 -0.243) 3.369 7.113 ( 7.795 1.774 -0.441) 8.006 7.208 ( -0.356 -0.307 0.469) 0.664 8.024 ( -4.892 -1.239 -0.075) 5.047 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 0.606 0.669 0.000) 0.903 2.504 ( -4.896 -5.759 0.007) 7.559 2.520 ( 3.007 3.676 -0.008) 4.749 2.615 ( -0.143 -0.180 0.001) 0.230 3.559 ( -12.456 5.597 0.083) 13.656 3.560 ( 13.150 -4.821 -0.083) 14.006 6.346 ( 0.555 0.674 0.041) 0.874 6.397 ( -2.860 -2.742 -0.100) 3.963 6.437 ( 2.978 2.800 0.059) 4.088 7.185 ( -0.513 -0.402 -0.003) 0.652 7.218 ( 0.506 0.413 0.003) 0.653 7.971 ( 0.064 0.071 -0.000) 0.096 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -7.009 -3.513 0.360) 7.849 2.428 ( -1.276 -0.773 -0.817) 1.701 2.582 ( 1.933 -1.151 1.031) 2.475 2.630 ( 0.929 3.031 0.348) 3.189 3.320 ( -11.377 -5.668 0.777) 12.735 3.752 ( 6.445 3.164 -1.135) 7.269 6.306 ( -5.256 -0.162 0.152) 5.261 6.348 ( -0.958 -0.472 0.395) 1.139 6.530 ( 5.014 1.116 -1.292) 5.297 7.109 ( -3.496 -7.362 -0.099) 8.151 7.212 ( -1.437 1.704 0.225) 2.240 8.027 ( 3.720 3.380 -0.118) 5.027 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -0.000 2.146 -2.720) 3.465 2.038 ( -0.000 1.346 -8.015) 8.127 2.423 ( 0.000 6.410 1.720) 6.636 2.576 ( 0.000 4.071 1.009) 4.195 2.946 ( 0.000 -4.662 4.879) 6.748 3.993 ( 0.000 10.614 0.832) 10.647 6.014 ( 0.000 5.276 0.235) 5.281 6.296 ( -0.000 4.948 -2.520) 5.552 6.416 ( -0.000 1.843 -0.154) 1.849 6.817 ( 0.000 -6.336 2.512) 6.815 7.311 ( -0.000 -5.692 -1.866) 5.990 8.359 ( -0.000 0.077 -1.482) 1.484 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 6.921 3.018 0.019) 7.550 2.071 ( 3.966 1.544 -4.282) 6.037 2.523 ( 5.411 4.388 0.249) 6.971 2.611 ( -0.101 2.505 1.107) 2.741 2.904 ( -1.010 -4.866 3.990) 6.374 4.057 ( -2.422 6.565 -1.178) 7.096 6.101 ( 4.959 3.539 0.116) 6.094 6.317 ( -2.279 5.512 -1.621) 6.181 6.463 ( 2.715 2.049 -0.444) 3.430 6.773 ( 1.752 -6.565 2.106) 7.113 7.258 ( -0.527 -3.227 -1.486) 3.592 8.327 ( -3.560 0.334 -0.767) 3.657 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 8.120 -0.866 -3.271) 8.797 2.182 ( 6.737 5.684 3.179) 9.370 2.620 ( -0.055 0.458 0.016) 0.461 2.691 ( 8.049 3.110 -0.920) 8.678 2.856 ( 1.160 -4.796 4.023) 6.366 4.031 ( -5.412 2.821 -2.258) 6.507 6.222 ( 5.339 1.576 -0.164) 5.569 6.329 ( -1.409 4.077 -0.410) 4.333 6.517 ( 1.166 1.395 -0.064) 1.819 6.789 ( 6.922 -4.061 0.848) 8.070 7.225 ( -0.546 -0.911 -0.662) 1.251 8.245 ( -6.184 0.356 -0.259) 6.199 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 6.842 -1.314 -1.439) 7.114 2.345 ( 5.574 3.107 1.739) 6.614 2.610 ( -0.486 -1.113 -0.402) 1.279 2.712 ( -3.891 -0.999 -0.806) 4.098 3.011 ( 16.397 -1.296 2.539) 16.643 3.926 ( -8.150 0.934 -1.662) 8.370 6.296 ( 3.280 -0.494 -0.668) 3.383 6.336 ( -0.484 0.251 0.389) 0.670 6.527 ( -1.533 1.917 0.831) 2.591 6.937 ( 11.871 -0.454 -0.127) 11.880 7.215 ( -0.483 0.211 0.057) 0.530 8.131 ( -7.332 0.261 -0.027) 7.336 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 4.914 -4.212 -0.553) 6.495 2.429 ( 2.577 -1.064 0.376) 2.813 2.591 ( -0.569 0.668 -1.030) 1.353 2.632 ( -3.673 0.036 -0.468) 3.703 3.268 ( 15.018 -5.471 0.734) 16.001 3.787 ( -9.059 2.913 0.115) 9.516 6.312 ( 2.235 -4.776 -0.239) 5.278 6.344 ( 1.306 -0.104 -0.395) 1.369 6.520 ( -3.002 4.348 1.602) 5.521 7.122 ( 9.133 -0.404 -0.239) 9.145 7.198 ( -1.606 -1.149 0.173) 1.982 8.028 ( -4.993 1.634 0.086) 5.254 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 0.000 2.035 0.569) 2.113 2.065 ( 0.000 4.235 1.025) 4.357 2.504 ( -0.000 1.487 -0.455) 1.556 2.632 ( 0.000 0.964 0.830) 1.272 2.878 ( 0.000 -4.262 2.548) 4.965 4.120 ( -0.000 2.952 -2.678) 3.986 6.080 ( -0.000 1.586 0.000) 1.586 6.401 ( -0.000 6.475 -0.783) 6.522 6.447 ( -0.000 1.048 -0.054) 1.049 6.699 ( 0.000 -6.483 1.139) 6.583 7.238 ( -0.000 -0.980 -1.128) 1.494 8.358 ( -0.000 0.341 -0.360) 0.496 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 5.547 0.724 0.495) 5.616 2.161 ( 3.975 6.333 5.042) 9.018 2.554 ( 5.821 -0.826 -1.436) 6.052 2.635 ( 0.190 -0.531 0.801) 0.980 2.835 ( -1.238 -3.593 1.362) 4.037 4.099 ( -2.395 -0.751 -3.610) 4.396 6.132 ( 4.902 -0.269 -0.214) 4.914 6.400 ( -2.994 1.758 0.352) 3.490 6.504 ( 2.544 1.727 0.763) 3.168 6.672 ( 2.909 -2.416 -0.327) 3.795 7.232 ( -0.439 0.974 -0.563) 1.208 8.332 ( -3.491 0.376 -0.097) 3.513 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 6.359 -1.496 -0.134) 6.534 2.307 ( 4.181 4.187 4.220) 7.268 2.593 ( 0.584 -2.831 -1.782) 3.395 2.721 ( 7.782 1.584 -0.799) 7.982 2.786 ( 1.982 -4.509 2.744) 5.638 4.014 ( -4.050 -2.956 -3.008) 5.847 6.205 ( 4.821 -2.945 -0.853) 5.713 6.356 ( -2.007 -1.845 0.690) 2.812 6.551 ( 1.741 0.899 1.479) 2.455 6.768 ( 7.690 2.959 -0.116) 8.241 7.235 ( -0.869 1.977 -0.215) 2.170 8.251 ( -6.237 0.368 -0.017) 6.248 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 5.328 -5.160 -0.968) 7.480 2.388 ( 2.366 -0.415 2.068) 3.170 2.571 ( 1.091 -1.942 -1.414) 2.638 2.696 ( -3.562 -0.309 -1.748) 3.979 2.976 ( 14.630 -2.947 2.526) 15.136 3.904 ( -4.550 -2.685 -1.104) 5.397 6.221 ( 2.578 -5.282 -1.241) 6.007 6.317 ( 0.257 -3.081 0.558) 3.142 6.592 ( 0.209 2.643 2.143) 3.409 6.955 ( 9.925 2.744 0.514) 10.310 7.230 ( -2.072 1.449 -0.367) 2.555 8.144 ( -6.675 1.102 0.068) 6.765 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 0.000 1.648 2.769) 3.223 2.213 ( 0.000 7.509 7.616) 10.695 2.474 ( -0.000 -3.862 -1.957) 4.330 2.624 ( 0.000 -1.828 0.529) 1.903 2.819 ( -0.000 -2.534 -0.244) 2.546 4.077 ( -0.000 -5.014 -4.683) 6.861 6.078 ( -0.000 -1.839 -0.109) 1.843 6.448 ( -0.000 -0.927 -0.026) 0.927 6.457 ( 0.000 -4.024 1.610) 4.334 6.663 ( -0.000 5.743 -0.409) 5.758 7.253 ( -0.000 2.809 -0.406) 2.838 8.365 ( -0.000 0.514 -0.088) 0.522 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 2.660 0.174 2.283) 3.510 2.313 ( 1.285 3.318 5.272) 6.360 2.478 ( 6.028 -5.566 -2.066) 8.460 2.626 ( 2.414 0.293 3.465) 4.233 2.784 ( -1.410 -1.633 -1.687) 2.739 3.988 ( -0.883 -8.228 -4.395) 9.370 6.088 ( 4.056 -4.104 -0.456) 5.788 6.366 ( -2.666 -4.713 0.478) 5.436 6.485 ( 4.050 -2.566 0.272) 4.802 6.758 ( 2.016 8.830 1.665) 9.209 7.279 ( -0.859 4.023 -0.479) 4.142 8.340 ( -3.597 0.675 -0.237) 3.667 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 2.504 -4.077 -0.141) 4.787 2.342 ( 2.001 -3.488 1.652) 4.348 2.494 ( 3.920 -5.633 -2.367) 7.260 2.716 ( -0.137 -3.996 1.804) 4.386 2.793 ( 7.033 6.254 2.119) 9.647 3.879 ( -0.280 -9.357 -2.720) 9.749 6.105 ( 3.976 -6.445 -1.259) 7.676 6.287 ( -1.233 -4.627 0.525) 4.817 6.548 ( 5.284 -1.588 0.730) 5.566 6.901 ( 4.010 8.616 3.099) 9.996 7.293 ( -2.290 4.199 -0.990) 4.884 8.263 ( -6.065 1.073 -0.272) 6.166 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 0.000 0.543 2.602) 2.658 2.337 ( -0.000 -8.650 -2.019) 8.883 2.338 ( 0.000 -2.276 2.056) 3.068 2.641 ( 0.000 3.825 8.094) 8.952 2.778 ( -0.000 0.110 -3.480) 3.482 3.874 ( -0.000 -12.964 -4.641) 13.769 6.005 ( -0.000 -5.577 -0.134) 5.579 6.342 ( -0.000 -6.061 -0.538) 6.084 6.420 ( 0.000 -1.622 0.009) 1.622 6.842 ( 0.000 9.725 3.632) 10.381 7.333 ( -0.000 5.614 -0.832) 5.675 8.379 ( -0.000 1.187 -0.711) 1.384 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -0.969 -3.797 -0.914) 4.024 2.252 ( 1.512 -8.818 -0.268) 8.950 2.333 ( 5.352 -7.880 -1.770) 9.689 2.691 ( -0.058 -2.642 5.164) 5.801 2.820 ( 1.613 9.957 1.610) 10.214 3.731 ( 1.571 -15.852 -3.434) 16.296 5.970 ( 3.091 -7.573 -0.421) 8.190 6.271 ( -1.611 -4.088 -0.518) 4.425 6.444 ( 4.209 -1.634 -0.087) 4.516 6.960 ( 1.495 9.033 5.278) 10.568 7.376 ( -1.671 6.478 -1.498) 6.856 8.359 ( -3.654 1.718 -1.087) 4.181 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -0.000 -8.532 -5.573) 10.191 2.155 ( -0.000 -13.218 -5.626) 14.366 2.180 ( 0.000 -5.062 4.918) 7.057 2.669 ( 0.000 -4.801 1.986) 5.196 2.930 ( 0.000 12.640 5.326) 13.716 3.525 ( -0.000 -20.704 -2.439) 20.847 5.865 ( 0.000 -8.524 0.114) 8.525 6.251 ( -0.000 -2.299 -1.239) 2.611 6.395 ( -0.000 -0.683 -0.116) 0.693 7.046 ( 0.000 7.495 6.827) 10.138 7.458 ( -0.000 8.084 -1.992) 8.326 8.406 ( -0.000 2.450 -2.047) 3.192 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 0.000 -0.000 21.777) 21.777 0.617 ( 0.000 -0.000 21.777) 21.777 1.085 ( 0.000 -0.000 39.270) 39.270 2.077 ( -0.000 0.000 -5.283) 5.283 2.077 ( -0.000 0.000 -5.283) 5.283 3.930 ( -0.000 0.000 -14.408) 14.408 5.289 ( -0.000 0.000 -0.049) 0.049 5.289 ( -0.000 0.000 -0.049) 0.049 6.513 ( 0.000 -0.000 0.158) 0.158 6.513 ( 0.000 -0.000 0.158) 0.158 8.360 ( 0.000 -0.000 3.268) 3.268 8.675 ( -0.000 0.000 -1.522) 1.522 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 4.951 2.859 17.930) 18.819 0.848 ( 6.327 3.653 23.211) 24.334 1.438 ( 20.334 11.740 24.951) 34.262 2.085 ( 3.632 2.097 -5.408) 6.843 2.102 ( 2.048 1.182 -4.649) 5.216 3.621 ( -10.149 -5.859 -6.310) 13.310 5.326 ( 2.784 1.607 0.042) 3.215 6.101 ( 42.363 24.458 -28.343) 56.535 6.493 ( -1.488 -0.859 0.105) 1.722 6.493 ( -2.028 -1.171 -0.015) 2.342 8.322 ( -4.719 -2.725 3.901) 6.702 8.589 ( -5.773 -3.333 -0.805) 6.714 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 11.430 6.599 10.835) 17.076 1.052 ( 6.760 3.903 18.818) 20.373 1.966 ( 19.349 11.171 -0.884) 22.360 2.142 ( 2.629 1.518 -3.823) 4.882 2.239 ( 12.128 7.002 7.015) 15.663 3.473 ( -2.505 -1.446 -6.562) 7.172 5.414 ( 5.035 2.907 0.050) 5.814 6.415 ( -4.324 -2.497 -0.719) 5.045 6.452 ( -2.099 -1.212 0.071) 2.425 6.740 ( 22.760 13.140 -19.469) 32.706 8.170 ( -9.774 -5.643 5.419) 12.520 8.451 ( -5.880 -3.395 -3.280) 7.541 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 13.115 7.572 5.668) 16.169 1.268 ( 8.925 5.153 9.421) 13.963 2.197 ( 3.172 1.831 -2.753) 4.582 2.241 ( 10.135 5.851 -10.862) 15.967 2.658 ( 18.085 10.441 10.580) 23.410 3.455 ( 2.217 1.280 -2.711) 3.728 5.549 ( 6.942 4.008 0.065) 8.016 6.303 ( -5.075 -2.930 -0.611) 5.892 6.407 ( -1.755 -1.013 0.027) 2.026 7.076 ( 11.751 6.785 -11.043) 17.495 7.932 ( -12.641 -7.298 5.012) 15.433 8.317 ( -4.639 -2.678 -4.018) 6.696 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 11.916 6.879 2.064) 13.913 1.507 ( 10.733 6.197 2.149) 12.579 2.268 ( 3.658 2.112 -1.386) 4.446 2.417 ( 7.931 4.579 -6.564) 11.267 2.991 ( 9.017 5.206 2.822) 10.787 3.564 ( 7.314 4.223 2.586) 8.833 5.717 ( 7.815 4.512 0.139) 9.025 6.205 ( -3.074 -1.775 -0.432) 3.576 6.379 ( -0.596 -0.344 -0.041) 0.689 7.210 ( 2.921 1.686 -8.429) 9.079 7.643 ( -13.871 -8.008 3.755) 16.451 8.245 ( -0.771 -0.445 -1.795) 2.003 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 9.039 5.218 -0.578) 10.453 1.753 ( 11.070 6.391 -2.002) 12.938 2.350 ( 3.779 2.182 0.160) 4.367 2.554 ( 5.569 3.215 -3.737) 7.437 3.093 ( 0.476 0.275 0.637) 0.841 3.756 ( 7.854 4.534 3.968) 9.899 5.886 ( 6.903 3.985 0.212) 7.973 6.179 ( 1.026 0.592 -0.336) 1.232 6.382 ( 0.872 0.503 -0.087) 1.010 7.165 ( -4.976 -2.873 -8.381) 10.162 7.368 ( -10.226 -5.904 4.037) 12.479 8.263 ( 2.055 1.187 0.176) 2.380 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 5.880 3.395 -2.234) 7.148 1.983 ( 10.148 5.859 -4.676) 12.617 2.429 ( 2.735 1.579 1.421) 3.463 2.640 ( 2.777 1.603 -2.355) 3.978 3.047 ( -3.996 -2.307 -0.134) 4.616 3.912 ( 4.797 2.770 4.688) 7.257 6.015 ( 4.332 2.501 0.187) 5.006 6.251 ( 5.434 3.137 -0.490) 6.294 6.413 ( 1.704 0.984 -0.045) 1.968 6.953 ( -10.621 -6.132 -3.554) 12.769 7.239 ( -3.018 -1.742 1.215) 3.691 8.314 ( 2.082 1.202 0.516) 2.458 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 3.403 1.965 -2.834) 4.845 2.178 ( 8.737 5.044 -6.261) 11.873 2.468 ( 0.100 0.058 2.035) 2.038 2.663 ( -0.109 -0.063 -1.352) 1.358 2.939 ( -4.900 -2.829 -1.562) 5.870 3.994 ( 1.016 0.587 5.815) 5.933 6.079 ( 1.339 0.773 0.103) 1.550 6.407 ( 8.216 4.743 -1.151) 9.557 6.445 ( 0.898 0.518 0.037) 1.037 6.719 ( -9.251 -5.341 -0.181) 10.684 7.211 ( 0.016 0.009 0.616) 0.616 8.350 ( 0.927 0.535 0.248) 1.099 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 1.523 0.879 -2.502) 3.058 2.328 ( 5.288 3.053 -4.337) 7.490 2.437 ( -3.499 -2.020 1.948) 4.485 2.646 ( 0.108 0.062 -1.999) 2.003 2.836 ( -3.723 -2.149 -2.303) 4.877 3.981 ( -3.961 -2.287 5.638) 7.260 6.076 ( -1.617 -0.933 0.062) 1.868 6.447 ( -0.774 -0.447 0.057) 0.896 6.473 ( -5.811 -3.355 -0.056) 6.710 6.668 ( 8.177 4.721 -0.979) 9.493 7.240 ( 2.386 1.378 1.006) 2.933 8.361 ( 0.161 0.093 0.427) 0.466 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -0.676 -0.390 -0.639) 1.009 2.325 ( -6.584 -3.801 0.529) 7.621 2.333 ( -4.961 -2.864 2.835) 6.392 2.722 ( 7.858 4.537 -8.422) 12.380 2.756 ( -2.953 -1.705 0.300) 3.423 3.836 ( -10.570 -6.103 3.979) 12.837 6.004 ( -4.803 -2.773 0.022) 5.546 6.334 ( -5.531 -3.193 1.255) 6.509 6.419 ( -1.408 -0.813 0.053) 1.627 6.877 ( 9.657 5.575 -4.177) 11.907 7.323 ( 4.625 2.670 1.569) 5.567 8.370 ( 0.670 0.387 1.330) 1.538 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 0.000 13.488 16.477) 21.294 0.950 ( 0.000 13.755 16.880) 21.775 1.469 ( 0.000 15.565 30.210) 33.984 2.013 ( -0.000 -1.250 -6.798) 6.911 2.132 ( -0.000 6.613 -5.050) 8.321 3.599 ( -0.000 -12.051 -7.897) 14.408 5.306 ( -0.000 2.336 -0.047) 2.336 6.022 ( -0.000 45.782 -23.696) 51.551 6.486 ( -0.000 -2.399 -0.158) 2.405 6.503 ( 0.000 -1.260 0.154) 1.270 8.330 ( 0.000 -5.834 3.929) 7.034 8.601 ( -0.000 -4.533 -1.572) 4.797 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -0.274 17.955 10.563) 20.833 1.139 ( 0.323 11.883 19.992) 23.259 1.823 ( 10.900 14.665 6.955) 19.551 2.067 ( 9.055 3.338 0.236) 9.654 2.199 ( 2.034 7.688 -2.287) 8.275 3.460 ( -1.905 -5.075 -7.792) 9.492 5.371 ( 3.626 3.615 0.036) 5.120 6.425 ( 0.360 -0.626 -2.692) 2.787 6.475 ( -1.469 -1.238 -0.149) 1.927 6.516 ( 14.405 22.318 -17.492) 31.805 8.232 ( -4.446 -9.191 4.779) 11.272 8.510 ( -4.994 -3.125 -3.082) 6.648 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 3.915 17.821 6.059) 19.225 1.306 ( 0.349 11.109 16.315) 19.741 2.043 ( 9.655 3.000 -8.657) 13.310 2.234 ( 1.892 9.403 -7.823) 12.378 2.502 ( 17.153 12.161 12.651) 24.539 3.409 ( 1.819 -1.004 -4.971) 5.388 5.491 ( 5.439 5.336 0.094) 7.620 6.339 ( -3.793 -4.467 -0.513) 5.882 6.434 ( -1.916 -0.616 -0.032) 2.013 6.902 ( 13.863 11.452 -12.210) 21.735 8.042 ( -8.337 -10.294 4.999) 14.159 8.373 ( -6.221 -2.432 -4.236) 7.909 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 4.592 10.824 5.021) 12.786 1.482 ( 4.544 15.777 6.787) 17.766 2.199 ( 7.386 2.666 -3.924) 8.778 2.345 ( 4.439 7.825 -7.138) 11.484 2.887 ( 11.875 8.047 4.337) 14.986 3.480 ( 6.737 2.527 0.236) 7.199 5.653 ( 6.555 6.791 0.201) 9.441 6.233 ( -3.475 -3.636 -0.333) 5.041 6.404 ( -1.595 0.789 -0.137) 1.785 7.119 ( 7.150 3.103 -8.405) 11.463 7.789 ( -11.559 -9.618 3.823) 15.516 8.257 ( -3.125 -1.747 -2.620) 4.437 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 5.875 9.507 4.530) 12.059 1.724 ( 5.306 13.545 -0.370) 14.552 2.321 ( 4.227 4.677 -1.371) 6.452 2.482 ( 5.800 4.928 -4.350) 8.766 3.066 ( 3.844 1.687 0.184) 4.202 3.663 ( 9.115 4.229 2.742) 10.415 5.834 ( 6.258 7.406 0.357) 9.703 6.169 ( -0.603 -1.576 -0.102) 1.691 6.399 ( -0.785 2.336 -0.236) 2.475 7.159 ( -0.020 -1.748 -7.985) 8.174 7.508 ( -12.147 -7.632 3.268) 14.713 8.229 ( 1.561 -1.066 -0.066) 1.892 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 4.691 7.660 2.131) 9.231 1.923 ( 5.321 11.123 -3.531) 12.826 2.427 ( 2.422 5.663 0.385) 6.171 2.594 ( 4.098 2.707 -2.675) 5.592 3.077 ( -1.844 -1.801 -0.618) 2.651 3.847 ( 7.301 2.523 3.295) 8.398 5.994 ( 4.040 6.939 0.472) 8.043 6.190 ( 3.660 0.824 -0.106) 3.753 6.421 ( 0.123 3.295 -0.242) 3.306 7.044 ( -7.311 -4.441 -6.231) 10.583 7.297 ( -6.494 -3.758 2.755) 7.993 8.266 ( 3.489 -1.329 0.774) 3.813 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 1.816 5.918 -0.657) 6.225 2.103 ( 5.929 8.823 -4.894) 11.702 2.504 ( -0.223 5.193 1.622) 5.445 2.652 ( 1.416 0.999 -1.824) 2.516 2.987 ( -4.812 -3.147 -1.790) 6.022 3.970 ( 4.288 0.269 4.743) 6.400 6.097 ( 0.679 5.641 0.393) 5.696 6.299 ( 7.043 1.994 -0.399) 7.330 6.460 ( 0.649 3.629 -0.214) 3.693 6.834 ( -9.901 -4.051 -2.012) 10.885 7.220 ( -1.456 -0.954 0.990) 2.003 8.309 ( 3.053 -2.095 0.450) 3.730 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 0.132 4.081 -1.889) 4.499 2.259 ( 5.438 6.362 -5.531) 10.032 2.520 ( -3.852 3.661 2.276) 5.781 2.655 ( -0.899 0.562 -1.381) 1.741 2.869 ( -4.314 -3.013 -2.393) 5.780 4.016 ( -0.143 -1.877 5.479) 5.793 6.128 ( -2.590 3.755 0.276) 4.570 6.407 ( 3.298 -1.608 -0.394) 3.690 6.523 ( 1.496 3.927 -1.283) 4.394 6.664 ( -5.005 0.891 0.574) 5.116 7.220 ( 1.277 0.462 0.721) 1.537 8.329 ( 2.146 -2.743 0.201) 3.489 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( -0.969 1.635 -1.764) 2.593 2.346 ( 0.305 0.736 -2.234) 2.372 2.458 ( -7.307 1.833 2.440) 7.919 2.664 ( 1.761 4.664 -4.720) 6.866 2.778 ( -2.574 -2.768 -0.819) 3.867 3.948 ( -6.573 -4.201 4.662) 9.088 6.085 ( -5.497 1.179 0.349) 5.633 6.368 ( -3.098 -4.682 0.132) 5.616 6.485 ( -4.612 2.267 0.113) 5.141 6.776 ( 8.000 6.893 -2.436) 10.837 7.273 ( 3.756 1.208 1.002) 4.070 8.336 ( 2.147 -2.833 0.587) 3.603 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 0.000 18.531 9.849) 20.986 1.316 ( 0.000 15.190 10.484) 18.457 1.955 ( -0.000 -0.453 -6.462) 6.477 1.988 ( 0.000 22.938 14.884) 27.343 2.254 ( -0.000 8.069 -2.972) 8.599 3.399 ( -0.000 -4.801 -7.157) 8.618 5.381 ( 0.000 5.412 0.213) 5.416 6.406 ( -0.000 -3.454 -0.310) 3.468 6.469 ( 0.000 -2.166 -0.013) 2.166 6.579 ( -0.000 23.570 -15.506) 28.213 8.178 ( 0.000 -11.836 4.393) 12.625 8.515 ( -0.000 -2.773 -4.203) 5.035 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -1.215 17.803 3.492) 18.183 1.509 ( -0.133 15.292 13.914) 20.675 1.940 ( 2.816 2.999 -7.233) 8.320 2.271 ( 2.341 11.162 -11.281) 16.042 2.429 ( 10.746 15.571 14.606) 23.901 3.355 ( 1.167 -1.586 -4.095) 4.544 5.473 ( 3.511 6.838 0.359) 7.695 6.345 ( -2.281 -4.689 -0.254) 5.220 6.444 ( -0.452 -1.583 -0.190) 1.657 6.807 ( 7.712 14.057 -9.959) 18.874 8.039 ( -3.440 -12.773 4.101) 13.849 8.434 ( -4.681 -2.229 -5.040) 7.230 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 1.502 14.230 -0.660) 14.324 1.676 ( -2.261 16.625 13.597) 21.596 2.071 ( 9.378 4.678 -5.678) 11.919 2.351 ( 1.899 7.485 -8.894) 11.779 2.798 ( 10.648 11.634 5.123) 16.582 3.403 ( 5.010 2.460 0.686) 5.623 5.626 ( 5.530 8.340 0.507) 10.019 6.251 ( -3.245 -4.113 -0.329) 5.249 6.428 ( -0.422 0.182 -0.447) 0.641 7.007 ( 7.349 4.745 -6.259) 10.757 7.847 ( -6.380 -11.969 3.491) 14.005 8.306 ( -5.732 -1.745 -4.337) 7.397 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 3.402 11.567 0.538) 12.069 1.846 ( -0.569 16.101 7.460) 17.754 2.266 ( 8.134 6.340 -2.737) 10.670 2.443 ( 3.662 6.009 -5.383) 8.860 3.008 ( 5.365 3.364 -0.348) 6.342 3.566 ( 8.116 5.253 2.790) 10.062 5.814 ( 6.087 9.379 0.686) 11.202 6.171 ( -1.963 -2.366 -0.155) 3.078 6.433 ( -0.258 2.318 -0.683) 2.430 7.096 ( 3.116 -0.998 -5.583) 6.471 7.618 ( -9.092 -9.593 2.566) 13.464 8.211 ( -2.025 -1.722 -1.759) 3.188 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 4.051 10.245 2.402) 11.275 1.997 ( 0.022 13.184 1.486) 13.267 2.439 ( 4.612 8.025 -0.488) 9.268 2.548 ( 4.013 4.152 -2.917) 6.469 3.068 ( 1.019 -0.784 -1.184) 1.748 3.751 ( 7.537 3.088 1.965) 8.379 6.003 ( 4.849 9.266 0.929) 10.500 6.151 ( 1.312 -0.033 -0.066) 1.314 6.458 ( -0.178 3.721 -0.773) 3.805 7.068 ( -2.025 -2.788 -5.631) 6.602 7.392 ( -8.749 -6.073 2.374) 10.911 8.194 ( 2.255 -2.640 0.245) 3.480 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 1.260 8.469 3.173) 9.132 2.122 ( 1.741 10.759 -3.021) 11.310 2.564 ( 1.282 6.548 1.187) 6.777 2.632 ( 2.330 3.508 -1.803) 4.582 3.028 ( -3.461 -1.569 -2.450) 4.521 3.887 ( 6.413 -0.318 2.746) 6.983 6.144 ( 1.951 6.994 1.106) 7.344 6.218 ( 4.880 2.746 -0.316) 5.608 6.489 ( -0.023 3.428 -0.682) 3.495 6.948 ( -7.474 -1.641 -3.443) 8.391 7.250 ( -3.710 -2.343 1.569) 4.660 8.218 ( 3.877 -3.909 0.531) 5.531 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -1.891 6.873 1.084) 7.211 2.246 ( 2.964 8.068 -3.869) 9.426 2.607 ( -1.259 1.602 1.597) 2.589 2.685 ( -0.326 4.514 -0.335) 4.538 2.926 ( -6.059 0.073 -3.791) 7.148 3.973 ( 4.153 -2.711 3.951) 6.340 6.214 ( -1.305 5.168 0.670) 5.372 6.329 ( 4.771 1.401 -0.354) 4.985 6.524 ( 1.360 2.351 -0.827) 2.839 6.803 ( -8.476 2.664 -0.570) 8.903 7.214 ( -0.186 -0.154 0.557) 0.607 8.241 ( 3.690 -4.888 0.199) 6.127 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( -3.580 4.306 -0.335) 5.610 2.341 ( 1.739 4.491 -3.375) 5.881 2.574 ( -3.603 -0.545 2.371) 4.348 2.714 ( -0.483 3.934 0.691) 4.023 2.818 ( -6.681 2.512 -4.486) 8.430 3.984 ( -0.710 -4.135 3.743) 5.622 6.198 ( -5.059 2.416 0.762) 5.658 6.361 ( -0.507 -2.614 -0.408) 2.694 6.563 ( -0.287 2.127 -1.241) 2.479 6.769 ( -0.557 8.494 -0.279) 8.517 7.233 ( 2.028 0.334 0.449) 2.104 8.251 ( 3.386 -5.197 0.153) 6.205 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 0.000 16.766 3.565) 17.141 1.639 ( 0.000 13.692 0.918) 13.723 1.936 ( -0.000 1.727 -0.991) 1.991 2.315 ( -0.000 8.837 -13.971) 16.532 2.559 ( 0.000 20.062 13.754) 24.324 3.330 ( -0.000 0.602 -0.473) 0.766 5.517 ( 0.000 8.192 0.548) 8.210 6.320 ( -0.000 -4.363 -0.346) 4.377 6.426 ( -0.000 -2.060 -0.251) 2.076 6.847 ( -0.000 10.726 -6.051) 12.315 7.947 ( 0.000 -13.753 3.058) 14.089 8.439 ( -0.000 -1.957 -5.668) 5.997 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -2.238 12.066 -4.400) 13.037 1.866 ( 4.985 14.666 5.267) 16.361 1.979 ( 2.663 4.659 -0.730) 5.416 2.360 ( 1.408 6.203 -10.858) 12.584 2.814 ( 4.326 14.409 6.069) 16.222 3.381 ( 2.489 5.313 3.881) 7.034 5.635 ( 3.595 9.232 0.670) 9.930 6.259 ( -2.252 -3.551 -0.649) 4.255 6.417 ( 0.959 -0.914 -0.507) 1.418 6.945 ( 3.661 4.382 -2.891) 6.400 7.801 ( -2.331 -13.297 2.198) 13.677 8.367 ( -4.298 -1.356 -5.333) 6.983 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 2.027 10.238 -3.620) 11.047 2.037 ( -1.520 11.672 7.524) 13.970 2.165 ( 10.951 8.857 -3.595) 14.536 2.427 ( 2.882 5.472 -6.355) 8.868 2.974 ( 2.797 4.511 1.054) 5.411 3.533 ( 4.781 8.903 4.478) 11.053 5.811 ( 5.709 10.005 0.775) 11.545 6.187 ( -2.499 -1.965 -0.647) 3.244 6.437 ( 1.524 1.166 -0.917) 2.126 7.017 ( 3.459 -0.890 -1.885) 4.039 7.631 ( -4.148 -11.550 1.537) 12.368 8.257 ( -5.316 -0.833 -3.632) 6.492 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 4.436 9.964 -0.519) 10.919 2.134 ( -0.572 9.114 2.856) 9.569 2.419 ( 7.771 10.158 0.279) 12.792 2.520 ( 3.817 5.032 -3.651) 7.296 3.030 ( 2.031 -0.481 0.036) 2.088 3.696 ( 4.096 6.153 1.760) 7.598 6.010 ( 5.715 9.840 0.932) 11.417 6.146 ( -0.730 0.171 -0.432) 0.866 6.479 ( 1.281 2.749 -1.193) 3.259 7.033 ( 1.453 -2.528 -2.291) 3.708 7.453 ( -5.655 -8.473 1.161) 10.253 8.170 ( -2.564 -1.487 -1.303) 3.238 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 3.775 9.084 1.221) 9.913 2.215 ( -0.411 8.263 0.628) 8.297 2.572 ( 2.696 3.240 0.325) 4.227 2.646 ( 3.250 7.923 -0.588) 8.584 3.048 ( 0.483 0.685 -1.508) 1.725 3.797 ( 3.866 0.663 0.835) 4.010 6.159 ( 2.020 3.040 0.788) 3.733 6.195 ( 4.078 7.249 -0.005) 8.317 6.514 ( 0.173 2.073 -1.134) 2.369 7.013 ( -1.578 0.239 -2.392) 2.876 7.299 ( -4.890 -4.534 1.162) 6.769 8.133 ( 1.019 -3.455 0.033) 3.603 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 0.175 7.493 1.977) 7.751 2.289 ( 0.311 7.672 -1.251) 7.779 2.616 ( 0.613 0.438 -0.136) 0.766 2.718 ( 0.111 0.748 1.206) 1.424 3.055 ( -4.210 8.557 -3.523) 10.167 3.860 ( 5.446 -4.045 1.996) 7.072 6.235 ( 3.282 3.110 0.374) 4.537 6.309 ( 1.542 4.866 0.169) 5.107 6.518 ( 0.126 -0.362 -0.786) 0.874 6.971 ( -5.931 5.468 -0.985) 8.127 7.223 ( -1.315 -1.086 0.488) 1.774 8.128 ( 3.138 -5.434 0.192) 6.278 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -4.362 5.780 1.251) 7.348 2.361 ( 0.727 5.406 -1.788) 5.740 2.605 ( -1.286 -1.207 0.787) 1.931 2.704 ( 0.682 -3.452 0.835) 3.617 3.037 ( -9.216 12.529 -3.282) 15.896 3.909 ( 4.811 -5.811 2.238) 7.868 6.290 ( -2.324 2.444 0.680) 3.441 6.340 ( 0.613 -0.176 -0.404) 0.755 6.535 ( 3.008 -0.111 -1.005) 3.174 6.935 ( -6.421 9.837 0.167) 11.749 7.215 ( 0.353 -0.073 -0.073) 0.368 8.131 ( 3.941 -6.161 0.044) 7.314 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -0.000 6.000 -9.109) 10.907 1.870 ( -0.000 10.815 -6.020) 12.378 2.065 ( 0.000 8.827 7.228) 11.409 2.375 ( -0.000 5.858 -8.014) 9.927 2.928 ( 0.000 10.058 4.841) 11.162 3.453 ( 0.000 10.668 6.615) 12.553 5.696 ( 0.000 9.565 0.698) 9.591 6.248 ( -0.000 -2.284 -1.336) 2.646 6.393 ( -0.000 -0.963 -0.400) 1.043 6.943 ( 0.000 1.572 0.051) 1.573 7.695 ( 0.000 -13.097 0.802) 13.121 8.378 ( -0.000 -0.845 -5.251) 5.318 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 0.628 6.701 -6.327) 9.237 2.018 ( 8.096 4.660 -9.471) 13.302 2.189 ( 1.872 11.295 6.157) 13.000 2.429 ( 1.353 5.974 -3.311) 6.963 3.001 ( -0.181 2.715 3.477) 4.415 3.607 ( 1.327 13.248 5.396) 14.366 5.825 ( 3.936 9.579 0.662) 10.377 6.209 ( -2.006 -0.644 -1.596) 2.643 6.407 ( 2.182 0.364 -0.669) 2.311 6.960 ( 1.636 -1.906 1.492) 2.922 7.562 ( -1.365 -11.715 -0.144) 11.795 8.324 ( -3.904 -0.155 -4.125) 5.681 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 4.879 7.914 -2.130) 9.538 2.145 ( 5.905 2.474 -5.670) 8.552 2.399 ( 7.495 11.767 2.408) 14.158 2.506 ( 2.042 4.903 -1.118) 5.427 3.009 ( -0.163 -1.588 3.150) 3.532 3.750 ( 0.074 10.293 1.913) 10.469 6.006 ( 5.996 9.172 0.630) 10.976 6.173 ( -1.821 1.295 -1.322) 2.596 6.461 ( 2.888 1.732 -1.055) 3.529 6.968 ( 2.241 -3.713 1.437) 4.569 7.427 ( -2.149 -9.398 -0.460) 9.652 8.233 ( -5.432 0.170 -2.361) 5.925 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 5.610 8.007 0.185) 9.779 2.245 ( 4.115 3.475 -2.177) 5.809 2.569 ( 1.485 3.308 0.927) 3.743 2.644 ( 6.536 8.404 -0.704) 10.670 3.012 ( 2.817 -1.476 2.423) 3.998 3.809 ( -2.036 4.835 -0.452) 5.266 6.166 ( 1.018 3.435 -0.018) 3.582 6.196 ( 4.112 7.210 -0.130) 8.301 6.513 ( 1.416 1.184 -1.059) 2.128 6.987 ( 3.324 -1.620 0.513) 3.734 7.311 ( -2.440 -6.166 -0.171) 6.633 8.141 ( -4.420 -0.780 -0.821) 4.562 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 3.678 6.554 0.336) 7.523 2.338 ( 2.418 4.944 -0.259) 5.510 2.610 ( 0.810 1.080 0.103) 1.354 2.720 ( -1.083 -1.491 0.383) 1.882 3.136 ( 6.154 8.593 0.050) 10.570 3.786 ( -1.674 -1.749 -0.269) 2.436 6.220 ( 2.089 3.844 -0.094) 4.376 6.323 ( 2.814 4.845 0.295) 5.611 6.512 ( -0.895 -1.548 -0.582) 1.881 7.052 ( 2.463 3.789 -0.280) 4.528 7.233 ( -1.564 -2.509 0.214) 2.964 8.068 ( -1.877 -3.058 -0.086) 3.589 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 0.362 4.702 0.113) 4.717 2.414 ( -0.077 5.828 0.466) 5.847 2.613 ( -1.194 -0.877 0.040) 1.482 2.652 ( -0.232 -5.795 0.135) 5.801 3.290 ( -3.475 14.832 -1.495) 15.307 3.751 ( 4.320 -8.168 1.001) 9.295 6.301 ( 2.620 3.404 0.065) 4.296 6.373 ( -1.706 2.157 0.049) 2.750 6.477 ( 1.212 -3.093 -0.339) 3.339 7.110 ( -2.479 7.332 0.293) 7.746 7.212 ( 0.026 -0.215 -0.350) 0.412 8.024 ( 1.390 -4.793 0.032) 4.990 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -0.000 3.908 -5.759) 6.959 1.954 ( -0.000 4.570 -11.301) 12.190 2.279 ( 0.000 8.806 4.010) 9.676 2.476 ( -0.000 6.379 -0.103) 6.379 3.026 ( 0.000 -0.936 4.390) 4.488 3.751 ( 0.000 14.206 3.953) 14.746 5.879 ( 0.000 8.465 0.508) 8.480 6.225 ( -0.000 1.276 -2.378) 2.699 6.388 ( -0.000 0.726 -0.328) 0.796 6.928 ( 0.000 -3.738 3.350) 5.019 7.462 ( -0.000 -10.342 -1.455) 10.444 8.348 ( -0.000 0.301 -3.491) 3.504 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 4.354 5.440 -2.077) 7.271 2.019 ( 6.319 2.212 -9.140) 11.330 2.403 ( 4.232 8.054 2.135) 9.345 2.540 ( 0.385 5.203 1.122) 5.337 3.008 ( -0.900 -3.575 4.410) 5.748 3.877 ( -1.230 11.425 1.093) 11.543 5.996 ( 4.505 7.295 0.322) 8.580 6.222 ( -1.857 3.127 -2.114) 4.207 6.424 ( 2.687 1.646 -0.523) 3.194 6.903 ( 1.092 -5.404 3.580) 6.573 7.360 ( -0.704 -8.013 -1.875) 8.259 8.312 ( -3.636 0.715 -2.266) 4.344 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 6.441 6.982 0.890) 9.541 2.138 ( 8.496 0.912 -5.388) 10.102 2.582 ( 4.479 4.575 -0.922) 6.468 2.597 ( 3.969 5.584 2.059) 7.154 2.966 ( -0.002 -4.713 4.404) 6.450 3.925 ( -3.943 7.169 -1.317) 8.287 6.154 ( 5.677 5.382 0.074) 7.823 6.227 ( -0.961 5.070 -1.215) 5.301 6.488 ( 2.629 1.542 -0.599) 3.106 6.893 ( 3.637 -5.298 2.573) 6.922 7.277 ( -0.881 -5.088 -1.383) 5.346 8.233 ( -5.822 0.722 -1.059) 5.961 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 5.532 4.593 -0.650) 7.219 2.285 ( 7.315 2.699 -0.642) 7.823 2.613 ( 0.088 0.955 0.450) 1.059 2.727 ( 0.302 0.537 -0.848) 1.048 3.023 ( 10.693 0.492 3.727) 11.334 3.878 ( -6.841 3.117 -1.949) 7.766 6.239 ( 0.789 4.330 -0.440) 4.423 6.309 ( 3.486 3.667 0.049) 5.060 6.515 ( -0.432 -0.173 -0.093) 0.475 6.963 ( 8.258 -1.748 0.828) 8.482 7.227 ( -0.612 -2.024 -0.411) 2.154 8.130 ( -6.414 -0.123 -0.314) 6.422 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -0.000 3.495 -1.604) 3.845 1.980 ( -0.000 4.296 -4.975) 6.573 2.435 ( 0.000 5.478 0.977) 5.564 2.587 ( 0.000 4.070 1.468) 4.326 2.986 ( 0.000 -5.057 4.131) 6.530 3.993 ( -0.000 9.199 -0.852) 9.239 6.015 ( 0.000 5.158 0.148) 5.160 6.275 ( -0.000 5.201 -2.170) 5.635 6.414 ( -0.000 1.911 -0.129) 1.915 6.845 ( 0.000 -6.956 3.637) 7.850 7.293 ( -0.000 -5.497 -2.207) 5.923 8.345 ( -0.000 0.819 -1.553) 1.755 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 7.266 2.640 -0.646) 7.758 2.051 ( 3.600 5.708 -0.088) 6.749 2.522 ( 5.054 3.659 -0.397) 6.252 2.622 ( 0.012 2.299 1.448) 2.716 2.937 ( -0.820 -5.596 3.601) 6.704 4.040 ( -2.437 5.619 -2.765) 6.720 6.102 ( 4.932 3.436 -0.073) 6.011 6.305 ( -2.068 6.128 -1.103) 6.561 6.460 ( 2.595 2.168 -0.188) 3.387 6.793 ( 1.617 -7.552 2.408) 8.090 7.244 ( -0.357 -2.772 -1.597) 3.219 8.320 ( -3.492 0.829 -0.759) 3.669 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 7.579 0.540 -2.222) 7.916 2.213 ( 6.357 6.338 3.677) 9.701 2.617 ( 0.832 0.065 -0.722) 1.104 2.685 ( 6.121 2.522 -0.300) 6.627 2.891 ( 2.197 -5.255 4.068) 6.999 4.006 ( -5.051 2.550 -3.333) 6.567 6.219 ( 5.251 1.431 -0.469) 5.463 6.327 ( -1.244 4.585 -0.021) 4.751 6.518 ( 1.217 1.943 0.418) 2.330 6.797 ( 6.709 -5.000 0.768) 8.402 7.219 ( -0.291 -0.542 -0.669) 0.909 8.243 ( -6.134 0.584 -0.243) 6.167 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 0.000 2.946 1.545) 3.327 2.086 ( 0.000 7.109 3.576) 7.958 2.497 ( -0.000 0.890 -1.110) 1.423 2.641 ( 0.000 0.618 1.090) 1.253 2.901 ( 0.000 -5.304 2.532) 5.878 4.088 ( -0.000 2.227 -4.352) 4.889 6.080 ( -0.000 1.545 -0.045) 1.545 6.397 ( -0.000 7.694 -0.084) 7.694 6.446 ( -0.000 1.058 -0.058) 1.060 6.708 ( 0.000 -7.850 0.930) 7.905 7.227 ( -0.000 -0.475 -1.172) 1.265 8.355 ( -0.000 0.659 -0.364) 0.753 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 4.413 1.605 1.331) 4.881 2.209 ( 3.589 7.685 5.756) 10.251 2.539 ( 5.458 -1.212 -1.957) 5.923 2.644 ( 0.593 -0.608 1.146) 1.426 2.850 ( -0.897 -4.785 1.950) 5.244 4.062 ( -2.023 -0.985 -4.879) 5.373 6.130 ( 4.733 -0.347 -0.269) 4.754 6.403 ( -3.034 2.115 0.414) 3.722 6.512 ( 2.621 2.591 1.086) 3.842 6.669 ( 3.074 -3.341 -0.471) 4.564 7.226 ( -0.344 1.261 -0.707) 1.485 8.330 ( -3.474 0.474 -0.156) 3.509 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 0.000 1.955 2.891) 3.490 2.278 ( 0.000 7.958 6.826) 10.485 2.456 ( -0.000 -4.123 -2.145) 4.647 2.632 ( 0.000 -1.272 1.246) 1.781 2.822 ( 0.000 -3.855 0.903) 3.960 4.032 ( -0.000 -4.957 -5.584) 7.467 6.077 ( -0.000 -1.867 -0.093) 1.870 6.447 ( -0.000 -0.904 -0.046) 0.906 6.469 ( 0.000 -5.145 0.930) 5.228 6.662 ( 0.000 7.433 0.285) 7.439 7.248 ( -0.000 2.897 -0.768) 2.997 8.364 ( -0.000 0.416 -0.279) 0.501 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 0.000 -0.000 19.719) 19.719 0.800 ( 0.000 -0.000 19.719) 19.719 1.420 ( 0.000 -0.000 36.692) 36.692 2.025 ( -0.000 0.000 -6.526) 6.526 2.025 ( -0.000 0.000 -6.526) 6.526 3.788 ( -0.000 0.000 -17.566) 17.566 5.289 ( 0.000 0.000 -0.048) 0.048 5.289 ( -0.000 0.000 -0.048) 0.048 6.514 ( 0.000 -0.000 0.164) 0.164 6.514 ( 0.000 -0.000 0.164) 0.164 8.392 ( 0.000 -0.000 3.769) 3.769 8.659 ( -0.000 0.000 -1.973) 1.973 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 2.779 1.605 18.087) 18.369 1.043 ( 7.962 4.597 20.833) 22.772 1.642 ( 10.529 6.079 19.950) 23.362 2.049 ( 6.219 3.590 -1.792) 7.401 2.054 ( 2.495 1.441 -6.039) 6.691 3.545 ( -9.043 -5.221 -10.796) 15.019 5.325 ( 2.789 1.610 -0.151) 3.224 5.901 ( 38.368 22.152 -17.719) 47.715 6.493 ( -2.172 -1.254 -0.093) 2.509 6.494 ( -1.500 -0.866 0.202) 1.743 8.358 ( -4.270 -2.465 4.182) 6.465 8.577 ( -5.983 -3.454 -1.915) 7.169 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 8.851 5.110 13.169) 16.670 1.232 ( 3.649 2.107 21.640) 22.047 1.911 ( 11.998 6.927 -9.942) 17.052 2.101 ( 3.184 1.838 -5.304) 6.454 2.335 ( 16.390 9.463 12.766) 22.829 3.406 ( -1.308 -0.755 -8.491) 8.625 5.413 ( 5.058 2.920 -0.278) 5.847 6.407 ( -3.559 -2.055 -1.156) 4.269 6.453 ( -2.123 -1.226 0.242) 2.463 6.587 ( 24.917 14.386 -15.098) 32.493 8.217 ( -9.544 -5.510 5.317) 12.236 8.422 ( -6.505 -3.756 -3.416) 8.252 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 11.052 6.381 8.399) 15.278 1.371 ( 4.916 2.838 13.433) 14.583 2.148 ( 11.714 6.763 -10.058) 16.856 2.166 ( 3.855 2.226 -4.252) 6.156 2.741 ( 15.181 8.765 7.991) 19.265 3.424 ( 4.545 2.624 -4.144) 6.687 5.548 ( 7.010 4.047 -0.303) 8.100 6.299 ( -4.996 -2.885 -0.291) 5.776 6.408 ( -1.802 -1.041 0.233) 2.094 6.981 ( 13.373 7.721 -10.374) 18.603 7.972 ( -13.167 -7.602 4.019) 15.726 8.289 ( -4.117 -2.377 -2.128) 5.209 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 10.283 5.937 4.500) 12.697 1.546 ( 7.993 4.615 6.636) 11.368 2.249 ( 4.470 2.581 -2.777) 5.862 2.363 ( 9.249 5.340 -5.518) 12.021 3.011 ( 7.398 4.271 1.485) 8.671 3.576 ( 8.862 5.117 0.273) 10.237 5.717 ( 7.909 4.566 -0.185) 9.135 6.204 ( -3.026 -1.747 0.215) 3.501 6.380 ( -0.656 -0.379 0.156) 0.773 7.133 ( 3.142 1.814 -8.786) 9.506 7.672 ( -13.894 -8.022 2.775) 16.281 8.239 ( -0.127 -0.073 0.644) 0.660 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 7.804 4.506 1.305) 9.106 1.754 ( 9.079 5.242 2.169) 10.705 2.347 ( 4.580 2.644 -0.970) 5.376 2.523 ( 6.169 3.562 -3.213) 7.815 3.093 ( 0.276 0.160 -0.512) 0.603 3.782 ( 8.485 4.899 1.901) 9.980 5.887 ( 6.969 4.024 -0.010) 8.047 6.179 ( 0.937 0.541 0.560) 1.218 6.382 ( 0.835 0.482 0.055) 0.966 7.092 ( -4.235 -2.445 -8.133) 9.490 7.400 ( -10.252 -5.919 3.270) 12.282 8.271 ( 2.067 1.193 1.623) 2.887 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 5.143 2.969 -1.013) 6.024 1.953 ( 8.552 4.938 -1.839) 10.045 2.438 ( 3.291 1.900 0.643) 3.854 2.620 ( 3.131 1.807 -2.175) 4.219 3.039 ( -4.267 -2.463 -1.695) 5.210 3.950 ( 5.583 3.223 3.825) 7.496 6.016 ( 4.337 2.504 0.084) 5.008 6.251 ( 5.159 2.979 0.434) 5.973 6.413 ( 1.715 0.990 0.020) 1.980 6.918 ( -8.721 -5.035 -4.312) 10.955 7.254 ( -3.844 -2.220 2.005) 4.871 8.321 ( 1.806 1.042 1.048) 2.334 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 3.130 1.807 -2.340) 4.306 2.126 ( 7.926 4.576 -5.392) 10.623 2.485 ( 0.353 0.204 1.663) 1.712 2.651 ( 0.220 0.127 -1.290) 1.315 2.922 ( -5.022 -2.900 -2.225) 6.211 4.045 ( 1.384 0.799 5.490) 5.718 6.079 ( 1.326 0.765 0.081) 1.533 6.400 ( 7.561 4.366 -0.593) 8.751 6.446 ( 0.913 0.527 0.052) 1.056 6.715 ( -8.065 -4.656 -0.607) 9.332 7.218 ( -0.099 -0.057 0.991) 0.998 8.352 ( 0.793 0.458 0.330) 0.973 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 0.000 10.337 17.536) 20.356 1.087 ( 0.000 11.682 13.942) 18.189 1.717 ( 0.000 10.084 25.092) 27.042 1.952 ( -0.000 -1.247 -6.849) 6.961 2.089 ( -0.000 7.500 -3.775) 8.396 3.511 ( -0.000 -10.154 -11.802) 15.569 5.307 ( 0.000 2.382 0.144) 2.386 5.856 ( -0.000 41.393 -14.597) 43.892 6.485 ( 0.000 -2.696 -0.018) 2.696 6.504 ( 0.000 -1.293 0.049) 1.294 8.366 ( 0.000 -5.499 4.161) 6.896 8.583 ( -0.000 -5.089 -2.498) 5.669 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -1.141 13.890 12.462) 18.696 1.308 ( 3.772 9.984 18.159) 21.063 1.825 ( 1.028 6.549 -4.863) 8.222 2.059 ( 6.330 5.460 -4.508) 9.498 2.232 ( 9.523 10.337 10.533) 17.564 3.383 ( -1.363 -3.689 -9.423) 10.211 5.371 ( 3.505 3.756 0.022) 5.138 6.344 ( 15.595 25.218 -12.882) 32.328 6.442 ( -0.422 -1.490 -1.629) 2.248 6.477 ( -1.256 -1.177 0.025) 1.721 8.274 ( -4.111 -9.126 4.841) 11.118 8.480 ( -5.165 -4.007 -3.731) 7.527 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 3.623 13.592 7.571) 15.975 1.460 ( -1.998 9.394 17.922) 20.333 1.963 ( 10.719 5.068 -9.344) 15.096 2.163 ( 2.633 7.800 -8.335) 11.715 2.603 ( 14.739 10.554 9.943) 20.676 3.362 ( 3.097 1.161 -5.613) 6.515 5.491 ( 5.343 5.568 -0.137) 7.718 6.336 ( -3.802 -4.385 -0.205) 5.807 6.434 ( -1.826 -0.779 0.017) 1.986 6.804 ( 14.764 13.625 -9.709) 22.313 8.083 ( -8.550 -10.704 4.299) 14.358 8.338 ( -5.614 -2.772 -3.389) 7.120 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 5.932 10.864 3.353) 12.824 1.586 ( 0.045 12.068 12.865) 17.639 2.162 ( 8.836 3.450 -4.248) 10.394 2.284 ( 5.468 8.409 -6.682) 12.053 2.916 ( 9.900 6.029 2.284) 11.814 3.476 ( 7.990 4.516 -1.145) 9.249 5.653 ( 6.508 7.078 -0.126) 9.616 6.232 ( -3.365 -3.630 0.204) 4.954 6.404 ( -1.529 0.555 0.038) 1.628 7.048 ( 6.976 4.188 -7.626) 11.152 7.817 ( -11.936 -9.789 2.467) 15.633 8.243 ( -1.824 -1.951 -0.341) 2.693 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 6.406 9.151 2.157) 11.377 1.755 ( 1.658 11.859 7.334) 14.042 2.304 ( 5.103 5.194 -2.463) 7.686 2.447 ( 6.560 5.447 -3.567) 9.242 3.064 ( 3.620 1.122 -0.769) 3.867 3.677 ( 9.515 4.875 0.462) 10.701 5.835 ( 6.233 7.707 0.025) 9.913 6.171 ( -0.534 -1.692 0.701) 1.908 6.398 ( -0.719 2.102 -0.008) 2.222 7.090 ( -0.437 -1.053 -7.459) 7.545 7.533 ( -11.749 -7.595 2.308) 14.179 8.236 ( 2.136 -1.386 1.688) 3.055 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 2.321 7.849 4.742) 9.459 1.901 ( 4.567 9.866 -1.536) 10.980 2.427 ( 3.161 6.197 -0.493) 6.974 2.572 ( 4.378 2.961 -2.373) 5.794 3.065 ( -2.015 -2.130 -1.987) 3.541 3.870 ( 8.192 2.877 1.942) 8.898 5.997 ( 3.968 7.230 0.203) 8.249 6.193 ( 3.575 0.543 0.848) 3.714 6.419 ( 0.203 3.123 -0.022) 3.130 6.990 ( -6.123 -3.287 -5.954) 9.151 7.320 ( -6.921 -4.215 2.599) 8.510 8.277 ( 3.357 -1.689 1.551) 4.066 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( -0.023 6.611 0.561) 6.635 2.067 ( 5.042 8.006 -3.243) 10.001 2.516 ( 0.184 5.633 1.039) 5.731 2.636 ( 1.705 1.118 -1.697) 2.653 2.966 ( -4.797 -3.451 -2.870) 6.569 4.010 ( 5.174 0.370 4.031) 6.569 6.100 ( 0.541 5.839 0.252) 5.869 6.298 ( 6.750 1.697 0.371) 6.970 6.459 ( 0.656 3.424 -0.038) 3.487 6.815 ( -8.520 -3.181 -2.387) 9.402 7.230 ( -1.851 -1.300 1.438) 2.680 8.314 ( 2.810 -2.322 0.651) 3.703 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 0.000 14.997 12.450) 19.491 1.387 ( 0.000 12.803 5.099) 13.781 1.909 ( -0.000 0.468 -3.564) 3.595 2.031 ( -0.000 13.795 -5.604) 14.890 2.295 ( 0.000 12.499 12.558) 17.718 3.333 ( -0.000 -2.433 -7.667) 8.044 5.385 ( 0.000 5.487 0.491) 5.508 6.404 ( -0.000 -1.004 -0.146) 1.014 6.464 ( -0.000 23.971 -10.619) 26.218 6.468 ( -0.000 -2.224 -0.178) 2.231 8.217 ( 0.000 -12.133 4.405) 12.908 8.475 ( -0.000 -3.581 -4.806) 5.993 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -2.219 13.769 3.493) 14.377 1.618 ( 4.893 12.588 10.319) 16.997 1.887 ( -0.002 4.773 -4.013) 6.236 2.164 ( 3.292 9.292 -12.869) 16.211 2.551 ( 8.397 14.121 12.642) 20.730 3.320 ( 1.571 1.600 -3.822) 4.431 5.477 ( 3.403 6.986 0.453) 7.784 6.343 ( -2.331 -4.823 -0.188) 5.360 6.442 ( -0.462 -1.655 -0.334) 1.750 6.734 ( 7.914 16.746 -6.401) 19.597 8.074 ( -3.329 -13.414 3.832) 14.342 8.389 ( -4.354 -2.651 -5.110) 7.217 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 2.086 11.678 -0.180) 11.864 1.796 ( -2.518 14.596 13.179) 19.826 2.024 ( 10.234 5.444 -4.995) 12.623 2.269 ( 3.705 8.216 -9.242) 12.909 2.838 ( 8.014 9.038 3.799) 12.663 3.407 ( 5.359 5.394 0.242) 7.607 5.630 ( 5.440 8.580 0.308) 10.164 6.249 ( -3.110 -4.235 -0.117) 5.255 6.425 ( -0.381 -0.044 -0.361) 0.527 6.961 ( 6.746 6.408 -4.126) 10.178 7.874 ( -6.543 -12.507 2.587) 14.350 8.272 ( -4.520 -1.967 -3.225) 5.891 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 4.714 10.841 0.221) 11.824 1.926 ( -2.460 13.770 9.901) 17.137 2.240 ( 8.921 7.088 -3.462) 11.909 2.398 ( 4.982 6.742 -4.568) 9.547 3.004 ( 4.688 2.805 -0.596) 5.496 3.582 ( 7.611 6.146 0.894) 9.823 5.819 ( 6.054 9.664 0.274) 11.407 6.171 ( -1.750 -2.552 0.314) 3.110 6.428 ( -0.168 2.002 -0.345) 2.038 7.052 ( 2.023 0.132 -4.286) 4.741 7.636 ( -9.112 -9.781 1.447) 13.446 8.202 ( -0.648 -2.136 -0.151) 2.237 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 4.926 10.178 0.846) 11.339 2.031 ( -2.250 11.254 5.712) 12.819 2.433 ( 5.205 9.287 -1.089) 10.702 2.524 ( 4.477 4.327 -2.566) 6.734 3.055 ( 0.642 -0.915 -1.930) 2.230 3.762 ( 7.800 3.294 0.638) 8.491 6.009 ( 4.874 9.610 0.369) 10.782 6.154 ( 1.387 -0.379 0.688) 1.594 6.453 ( -0.044 3.404 -0.234) 3.412 7.023 ( -2.591 -1.651 -4.609) 5.539 7.409 ( -8.361 -6.309 1.648) 10.603 8.200 ( 2.720 -3.133 1.202) 4.320 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 2.602 8.260 1.867) 8.859 2.107 ( -1.622 10.272 0.620) 10.418 2.574 ( 1.627 6.691 0.944) 6.951 2.615 ( 2.522 4.532 -1.983) 5.553 3.002 ( -3.796 -2.047 -3.571) 5.599 3.909 ( 7.343 -0.268 2.184) 7.666 6.152 ( 1.781 7.349 0.567) 7.583 6.219 ( 4.896 2.258 0.508) 5.416 6.486 ( 0.082 3.147 -0.089) 3.149 6.919 ( -6.722 -0.457 -3.191) 7.455 7.264 ( -3.975 -2.854 1.553) 5.134 8.225 ( 3.774 -4.256 0.860) 5.753 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -0.000 10.195 -6.573) 12.130 1.632 ( 0.000 12.347 3.228) 12.762 1.956 ( 0.000 4.601 4.836) 6.675 2.188 ( -0.000 10.368 -14.324) 17.682 2.674 ( 0.000 16.103 11.908) 20.028 3.328 ( -0.000 4.403 0.001) 4.403 5.523 ( 0.000 8.227 0.766) 8.263 6.316 ( -0.000 -4.656 -0.664) 4.703 6.423 ( -0.000 -2.105 -0.395) 2.142 6.809 ( -0.000 13.073 -2.339) 13.281 7.973 ( 0.000 -14.606 2.785) 14.869 8.388 ( -0.000 -2.068 -5.901) 6.253 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -1.130 9.656 -5.608) 11.223 1.863 ( 10.624 9.001 -4.806) 14.730 2.015 ( -1.688 8.209 7.185) 11.039 2.270 ( 2.382 8.922 -8.768) 12.734 2.867 ( 2.377 11.419 5.564) 12.923 3.413 ( 2.288 8.201 3.354) 9.151 5.641 ( 3.539 9.279 0.678) 9.954 6.252 ( -2.065 -3.863 -0.896) 4.471 6.412 ( 0.871 -1.001 -0.527) 1.427 6.933 ( 3.134 5.919 0.181) 6.700 7.819 ( -2.189 -14.203 1.717) 14.473 8.321 ( -3.765 -1.133 -5.171) 6.496 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 3.734 9.950 -2.955) 11.031 2.069 ( 4.387 4.087 -2.644) 6.553 2.156 ( 6.680 13.687 3.490) 15.625 2.382 ( 3.365 7.397 -3.508) 8.852 2.986 ( 1.564 4.533 1.404) 4.996 3.565 ( 3.728 9.236 2.811) 10.349 5.817 ( 5.683 10.093 0.448) 11.592 6.181 ( -2.158 -2.267 -0.638) 3.195 6.431 ( 1.485 0.972 -0.595) 1.872 7.010 ( 2.251 0.200 0.296) 2.279 7.641 ( -3.980 -12.232 0.784) 12.887 8.228 ( -4.217 -0.669 -2.859) 5.138 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 5.435 10.079 -0.331) 11.456 2.154 ( 1.010 5.848 1.359) 6.088 2.423 ( 7.877 12.327 0.410) 14.635 2.494 ( 3.482 5.199 -1.822) 6.517 3.030 ( 0.985 0.330 0.045) 1.040 3.707 ( 3.538 5.792 0.608) 6.814 6.016 ( 5.781 9.988 0.291) 11.545 6.144 ( -0.403 -0.168 -0.103) 0.448 6.472 ( 1.339 2.496 -0.435) 2.866 7.020 ( 0.150 -1.478 -0.792) 1.683 7.460 ( -5.340 -8.838 0.395) 10.334 8.162 ( -1.582 -1.691 -0.464) 2.362 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 4.216 9.107 0.225) 10.038 2.227 ( -0.316 6.763 1.939) 7.043 2.573 ( 2.232 2.728 -0.168) 3.529 2.642 ( 3.992 9.562 -0.225) 10.364 3.032 ( -1.007 1.104 -2.083) 2.564 3.804 ( 4.509 0.413 0.699) 4.582 6.164 ( 2.121 2.292 0.457) 3.156 6.195 ( 4.203 7.773 0.072) 8.837 6.509 ( 0.271 1.868 -0.065) 1.889 6.996 ( -2.196 1.273 -1.504) 2.950 7.307 ( -4.580 -4.886 0.651) 6.728 8.136 ( 1.348 -3.773 0.465) 4.034 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -0.000 6.739 -8.919) 11.179 1.802 ( -0.000 7.379 -9.266) 11.845 2.125 ( 0.000 8.174 6.434) 10.402 2.321 ( -0.000 9.347 -4.012) 10.172 2.970 ( 0.000 8.349 4.359) 9.419 3.505 ( 0.000 11.670 5.264) 12.803 5.703 ( 0.000 9.501 0.747) 9.530 6.234 ( -0.000 -2.684 -1.675) 3.164 6.389 ( -0.000 -0.945 -0.451) 1.047 6.958 ( 0.000 2.560 3.203) 4.100 7.700 ( 0.000 -14.103 0.326) 14.106 8.332 ( -0.000 -0.218 -5.274) 5.278 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 2.068 7.841 -5.230) 9.650 1.928 ( 9.097 4.192 -10.778) 14.714 2.238 ( 1.975 9.491 5.083) 10.946 2.414 ( 1.261 8.059 -0.351) 8.165 3.030 ( -0.683 3.067 2.982) 4.332 3.647 ( 0.619 12.298 3.717) 12.862 5.831 ( 3.900 9.500 0.507) 10.282 6.195 ( -1.689 -0.962 -1.709) 2.588 6.402 ( 2.030 0.353 -0.507) 2.122 6.985 ( 0.977 -1.332 4.047) 4.371 7.558 ( -1.115 -12.596 -0.699) 12.664 8.289 ( -3.459 0.577 -3.915) 5.256 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 5.834 8.905 -1.245) 10.718 2.089 ( 8.905 2.281 -6.886) 11.486 2.419 ( 6.529 10.591 2.014) 12.604 2.507 ( 1.443 5.818 1.103) 6.095 3.034 ( -0.770 -0.606 2.643) 2.819 3.762 ( -0.635 9.174 0.703) 9.223 6.010 ( 6.014 9.139 0.140) 10.941 6.162 ( -1.416 1.077 -1.144) 2.115 6.454 ( 2.819 1.668 -0.428) 3.303 6.988 ( 1.127 -3.247 3.180) 4.682 7.421 ( -1.702 -9.972 -1.016) 10.167 8.214 ( -4.784 0.619 -1.943) 5.201 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( -0.000 5.631 -4.614) 7.280 1.861 ( -0.000 5.800 -9.487) 11.120 2.311 ( 0.000 7.519 3.091) 8.130 2.482 ( 0.000 7.282 1.323) 7.401 3.060 ( 0.000 -0.460 3.258) 3.290 3.778 ( 0.000 12.505 2.230) 12.702 5.883 ( 0.000 8.320 0.405) 8.330 6.205 ( -0.000 1.098 -2.187) 2.447 6.385 ( -0.000 0.809 -0.283) 0.857 6.968 ( 0.000 -3.785 5.563) 6.729 7.446 ( -0.000 -10.985 -2.004) 11.166 8.317 ( -0.000 1.227 -3.359) 3.576 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 5.433 7.177 -0.403) 9.010 1.946 ( 6.288 4.003 -7.220) 10.378 2.418 ( 3.970 6.881 1.361) 8.060 2.553 ( 0.370 5.408 1.859) 5.731 3.042 ( -0.928 -3.206 3.293) 4.689 3.880 ( -1.517 9.884 -0.419) 10.008 5.998 ( 4.451 7.168 0.072) 8.438 6.205 ( -1.559 3.197 -1.663) 3.926 6.420 ( 2.554 1.697 -0.249) 3.077 6.941 ( 0.668 -5.913 5.028) 7.790 7.342 ( -0.439 -8.189 -2.283) 8.512 8.293 ( -3.401 1.480 -2.064) 4.245 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -0.000 4.801 -0.314) 4.811 1.952 ( -0.000 7.286 -1.523) 7.444 2.440 ( 0.000 4.592 0.173) 4.595 2.602 ( 0.000 3.906 1.861) 4.327 3.018 ( 0.000 -5.122 3.044) 5.958 3.978 ( -0.000 7.744 -2.470) 8.128 6.016 ( -0.000 5.063 0.035) 5.063 6.259 ( -0.000 5.575 -1.395) 5.747 6.414 ( -0.000 1.960 -0.082) 1.962 6.880 ( 0.000 -8.233 4.273) 9.276 7.273 ( -0.000 -5.110 -2.287) 5.598 8.332 ( -0.000 1.525 -1.402) 2.072 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 0.000 -0.000 16.620) 16.620 0.961 ( 0.000 -0.000 16.620) 16.620 1.725 ( 0.000 -0.000 32.318) 32.318 1.965 ( -0.000 0.000 -6.998) 6.998 1.965 ( -0.000 0.000 -6.998) 6.998 3.626 ( -0.000 0.000 -18.796) 18.796 5.288 ( -0.000 0.000 -0.039) 0.039 5.288 ( -0.000 0.000 -0.039) 0.039 6.515 ( 0.000 -0.000 0.142) 0.142 6.515 ( 0.000 -0.000 0.142) 0.142 8.425 ( 0.000 -0.000 3.811) 3.811 8.641 ( -0.000 0.000 -2.271) 2.271 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 1.876 1.083 16.515) 16.656 1.208 ( 10.808 6.240 16.025) 20.312 1.757 ( -2.130 -1.230 5.396) 5.930 1.997 ( 2.786 1.608 -6.871) 7.587 2.083 ( 11.828 6.829 10.266) 17.086 3.438 ( -7.048 -4.069 -12.924) 15.273 5.323 ( 2.727 1.574 -0.315) 3.165 5.780 ( 34.167 19.727 -10.221) 40.756 6.492 ( -2.316 -1.337 -0.156) 2.678 6.497 ( -1.474 -0.851 0.263) 1.722 8.395 ( -3.848 -2.222 4.206) 6.119 8.557 ( -6.275 -3.623 -2.609) 7.701 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 7.071 4.082 13.740) 15.983 1.426 ( 1.869 1.079 21.955) 22.060 1.809 ( 10.074 5.816 -12.942) 17.402 2.049 ( 3.634 2.098 -6.435) 7.683 2.442 ( 15.770 9.105 10.790) 21.167 3.328 ( 0.131 0.076 -8.727) 8.728 5.409 ( 5.042 2.911 -0.552) 5.848 6.393 ( 1.611 0.930 -2.233) 2.906 6.456 ( -2.120 -1.224 0.366) 2.475 6.480 ( 20.925 12.081 -8.883) 25.743 8.262 ( -9.778 -5.646 4.820) 12.277 8.392 ( -6.293 -3.633 -3.206) 7.943 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 9.242 5.336 10.140) 14.721 1.495 ( 1.848 1.067 14.121) 14.281 2.070 ( 13.537 7.816 -7.219) 17.218 2.123 ( 4.504 2.600 -5.585) 7.631 2.794 ( 12.779 7.378 3.805) 15.239 3.386 ( 6.474 3.738 -4.387) 8.668 5.544 ( 7.070 4.082 -0.612) 8.186 6.298 ( -4.827 -2.787 0.197) 5.577 6.411 ( -1.837 -1.060 0.394) 2.157 6.898 ( 14.016 8.092 -8.321) 18.198 7.999 ( -13.710 -7.916 1.969) 15.953 8.282 ( -3.175 -1.833 0.559) 3.709 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 8.604 4.968 6.535) 11.892 1.620 ( 5.841 3.372 9.806) 11.901 2.219 ( 5.340 3.083 -4.106) 7.408 2.323 ( 10.083 5.821 -3.455) 12.145 3.015 ( 6.494 3.749 -0.514) 7.516 3.569 ( 9.926 5.731 -1.824) 11.606 5.714 ( 8.024 4.633 -0.471) 9.277 6.209 ( -2.880 -1.663 0.944) 3.457 6.382 ( -0.721 -0.416 0.322) 0.893 7.059 ( 3.124 1.804 -7.851) 8.640 7.691 ( -13.621 -7.864 1.515) 15.801 8.255 ( 0.207 0.120 2.866) 2.876 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 6.381 3.684 3.087) 7.989 1.791 ( 6.907 3.988 6.227) 10.119 2.333 ( 5.495 3.172 -2.063) 6.672 2.498 ( 6.461 3.730 -2.396) 7.835 3.083 ( -0.042 -0.024 -1.882) 1.882 3.789 ( 9.522 5.497 -0.227) 10.997 5.886 ( 7.077 4.086 -0.229) 8.175 6.189 ( 0.904 0.522 1.490) 1.819 6.383 ( 0.774 0.447 0.187) 0.913 7.024 ( -3.638 -2.100 -7.181) 8.319 7.426 ( -9.980 -5.762 2.596) 11.813 8.290 ( 1.705 0.984 2.721) 3.358 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 0.000 9.471 16.444) 18.977 1.188 ( 0.000 9.350 8.729) 12.791 1.865 ( 0.000 2.371 5.541) 6.027 1.898 ( -0.000 -0.658 -4.982) 5.026 2.103 ( 0.000 10.716 9.424) 14.270 3.400 ( -0.000 -7.570 -12.692) 14.778 5.309 ( 0.000 2.494 0.308) 2.513 5.757 ( -0.000 37.451 -8.273) 38.354 6.486 ( 0.000 -2.862 0.084) 2.863 6.504 ( -0.000 -1.359 -0.065) 1.361 8.403 ( 0.000 -5.093 4.078) 6.524 8.558 ( -0.000 -5.809 -3.028) 6.551 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -1.476 10.681 11.510) 15.772 1.450 ( 9.591 9.040 13.397) 18.793 1.769 ( -4.711 3.935 -6.282) 8.782 1.999 ( 4.486 3.826 -7.913) 9.868 2.343 ( 10.353 11.376 12.344) 19.723 3.301 ( -0.658 -1.853 -8.684) 8.904 5.371 ( 3.203 3.979 0.011) 5.108 6.249 ( 16.982 28.467 -8.175) 34.141 6.435 ( -1.889 -3.813 -0.391) 4.273 6.477 ( -1.208 -1.377 0.029) 1.832 8.317 ( -3.897 -9.217 4.800) 11.098 8.445 ( -5.097 -4.596 -4.169) 8.030 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 3.641 9.557 8.040) 13.010 1.610 ( -3.508 7.481 15.314) 17.401 1.887 ( 12.567 7.712 -7.037) 16.338 2.089 ( 3.826 6.365 -8.312) 11.147 2.671 ( 12.012 9.408 5.184) 16.115 3.316 ( 4.048 3.205 -4.505) 6.852 5.489 ( 5.147 5.832 -0.327) 7.785 6.336 ( -3.742 -4.333 0.139) 5.727 6.435 ( -1.630 -0.952 0.095) 1.890 6.734 ( 14.690 15.036 -6.237) 21.926 8.114 ( -9.357 -10.986 2.403) 14.630 8.316 ( -4.062 -3.089 -1.326) 5.272 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 6.094 7.811 5.205) 11.190 1.700 ( -1.385 11.604 12.520) 17.127 2.125 ( 9.048 3.838 -4.362) 10.753 2.232 ( 7.252 8.713 -4.465) 12.184 2.925 ( 8.559 5.193 -0.507) 10.024 3.462 ( 8.382 5.962 -2.118) 10.502 5.651 ( 6.438 7.346 -0.403) 9.777 6.236 ( -3.123 -3.627 0.695) 4.837 6.405 ( -1.440 0.354 0.232) 1.501 6.988 ( 6.238 5.034 -5.808) 9.899 7.831 ( -12.122 -9.692 0.731) 15.538 8.251 ( -0.499 -2.450 2.115) 3.275 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 6.117 7.651 3.532) 10.414 1.834 ( -0.318 10.742 10.158) 14.788 2.277 ( 6.001 5.812 -3.722) 9.146 2.421 ( 6.951 5.524 -2.015) 9.104 3.052 ( 3.343 0.877 -1.942) 3.965 3.672 ( 9.926 5.712 -1.730) 11.582 5.834 ( 6.244 7.954 -0.274) 10.116 6.181 ( -0.333 -1.808 1.378) 2.298 6.399 ( -0.689 1.950 0.256) 2.084 7.030 ( -0.958 -0.360 -6.099) 6.184 7.549 ( -11.145 -7.466 1.416) 13.489 8.257 ( 2.360 -1.974 3.076) 4.351 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -0.000 9.871 -2.738) 10.244 1.428 ( 0.000 11.735 14.085) 18.333 1.900 ( 0.000 2.333 1.660) 2.863 1.935 ( -0.000 8.623 -14.409) 16.793 2.419 ( 0.000 13.972 13.328) 19.310 3.271 ( -0.000 0.143 -5.887) 5.889 5.390 ( 0.000 5.580 0.688) 5.622 6.387 ( -0.000 29.354 -5.060) 29.787 6.410 ( -0.000 -4.704 -0.310) 4.714 6.466 ( -0.000 -2.292 -0.317) 2.314 8.255 ( 0.000 -12.583 4.179) 13.259 8.431 ( -0.000 -4.175 -4.967) 6.488 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -1.219 9.520 -0.243) 9.600 1.683 ( 9.819 8.414 4.707) 13.761 1.876 ( -3.859 8.868 0.487) 9.684 2.057 ( 4.764 8.165 -10.014) 13.771 2.644 ( 5.688 12.900 8.188) 16.304 3.293 ( 1.807 4.405 -2.040) 5.180 5.481 ( 3.161 7.139 0.485) 7.822 6.341 ( -2.225 -5.074 -0.267) 5.546 6.439 ( -0.396 -1.692 -0.353) 1.773 6.696 ( 7.569 18.705 -2.166) 20.294 8.105 ( -3.484 -14.034 2.907) 14.749 8.347 ( -3.587 -3.071 -4.248) 6.352 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 3.557 9.080 0.039) 9.752 1.898 ( -0.714 13.553 9.213) 16.403 1.981 ( 9.684 4.629 -4.846) 11.777 2.202 ( 5.263 9.329 -4.844) 11.756 2.862 ( 5.698 8.135 1.385) 10.028 3.408 ( 5.035 7.407 0.041) 8.956 5.632 ( 5.245 8.786 0.102) 10.233 6.248 ( -2.810 -4.431 -0.018) 5.247 6.422 ( -0.255 -0.226 -0.141) 0.369 6.936 ( 5.557 7.779 -1.439) 9.668 7.890 ( -7.016 -12.702 0.984) 14.545 8.252 ( -2.754 -2.605 -1.220) 3.982 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 5.702 9.585 1.586) 11.265 2.011 ( -2.490 11.081 8.883) 14.419 2.202 ( 9.711 8.288 -5.222) 13.793 2.371 ( 5.596 7.117 -1.098) 9.120 2.997 ( 3.899 2.924 -1.089) 4.994 3.582 ( 6.929 7.027 -0.997) 9.919 5.819 ( 5.986 9.864 -0.104) 11.539 6.176 ( -1.362 -2.775 0.572) 3.144 6.427 ( -0.044 1.806 0.122) 1.811 7.022 ( 0.620 1.202 -2.447) 2.796 7.644 ( -8.999 -9.745 0.250) 13.267 8.209 ( 0.630 -2.950 1.513) 3.374 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -0.000 8.796 -9.958) 13.286 1.647 ( -0.000 6.156 -0.809) 6.209 2.009 ( 0.000 5.836 6.784) 8.949 2.077 ( -0.000 13.679 -9.755) 16.801 2.761 ( 0.000 13.723 7.629) 15.701 3.332 ( 0.000 7.320 1.252) 7.427 5.530 ( 0.000 8.235 0.859) 8.280 6.309 ( -0.000 -5.001 -0.845) 5.072 6.419 ( -0.000 -2.133 -0.477) 2.186 6.806 ( 0.000 14.864 1.647) 14.955 7.994 ( 0.000 -15.417 2.015) 15.548 8.338 ( -0.000 -2.300 -5.209) 5.694 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 1.048 8.693 -5.987) 10.607 1.799 ( 10.851 5.490 -9.533) 15.452 2.078 ( -1.239 8.957 6.459) 11.113 2.219 ( 3.107 11.367 -2.146) 11.978 2.907 ( 0.933 9.917 3.377) 10.518 3.440 ( 1.792 9.931 2.790) 10.470 5.646 ( 3.376 9.285 0.590) 9.897 6.244 ( -1.799 -4.214 -0.951) 4.679 6.408 ( 0.889 -1.054 -0.415) 1.440 6.948 ( 2.284 7.148 3.223) 8.166 7.830 ( -2.186 -14.962 0.767) 15.140 8.279 ( -2.936 -1.188 -4.087) 5.171 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -0.000 8.157 -8.031) 11.447 1.712 ( -0.000 5.872 -10.816) 12.307 2.177 ( 0.000 7.198 5.343) 8.964 2.305 ( 0.000 11.423 0.270) 11.427 3.001 ( 0.000 7.430 2.652) 7.889 3.545 ( 0.000 11.960 3.670) 12.510 5.709 ( 0.000 9.395 0.669) 9.419 6.220 ( -0.000 -3.049 -1.515) 3.405 6.385 ( -0.000 -0.899 -0.425) 0.995 6.998 ( 0.000 3.255 5.911) 6.748 7.699 ( -0.000 -15.038 -0.430) 15.044 8.288 ( -0.000 0.187 -4.472) 4.476 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 0.000 -0.000 11.792) 11.792 1.088 ( 0.000 -0.000 11.792) 11.792 1.906 ( -0.000 0.000 -5.939) 5.939 1.906 ( -0.000 0.000 -5.939) 5.939 1.978 ( 0.000 -0.000 24.327) 24.327 3.468 ( -0.000 0.000 -16.276) 16.276 5.288 ( 0.000 0.000 -0.025) 0.025 5.288 ( -0.000 0.000 -0.025) 0.025 6.516 ( 0.000 -0.000 0.096) 0.096 6.516 ( 0.000 -0.000 0.096) 0.096 8.457 ( 0.000 -0.000 3.181) 3.181 8.621 ( -0.000 0.000 -2.147) 2.147 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 2.034 1.174 13.175) 13.383 1.313 ( 13.149 7.591 7.144) 16.780 1.769 ( -6.966 -4.022 0.134) 8.045 1.937 ( 2.725 1.573 -6.553) 7.269 2.195 ( 11.269 6.506 12.392) 17.968 3.331 ( -5.075 -2.930 -10.539) 12.059 5.320 ( 2.609 1.506 -0.425) 3.042 5.715 ( 31.249 18.042 -4.815) 36.403 6.490 ( -2.439 -1.408 -0.194) 2.823 6.499 ( -1.416 -0.818 0.278) 1.659 8.430 ( -3.204 -1.850 3.564) 5.137 8.533 ( -6.825 -3.941 -2.626) 8.307 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 6.269 3.619 12.583) 14.516 1.610 ( -1.979 -1.143 18.091) 18.235 1.692 ( 13.631 7.870 -11.691) 19.607 1.990 ( 3.811 2.200 -6.824) 8.120 2.511 ( 13.835 7.988 4.220) 16.524 3.262 ( 1.372 0.792 -5.626) 5.845 5.403 ( 4.992 2.882 -0.726) 5.810 6.369 ( 15.892 9.175 -2.619) 18.536 6.430 ( 6.772 3.910 -3.007) 8.378 6.459 ( -2.091 -1.207 0.423) 2.452 8.295 ( -11.364 -6.561 1.912) 13.260 8.372 ( -4.434 -2.560 -0.570) 5.151 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 7.979 4.606 10.761) 14.166 1.603 ( 1.228 0.709 9.370) 9.477 2.033 ( 14.383 8.304 -0.161) 16.609 2.069 ( 5.000 2.887 -6.581) 8.755 2.803 ( 11.456 6.614 -1.819) 13.353 3.352 ( 7.302 4.216 -3.139) 8.997 5.537 ( 7.113 4.107 -0.807) 8.253 6.302 ( -4.599 -2.656 0.662) 5.352 6.415 ( -1.852 -1.069 0.479) 2.192 6.837 ( 13.804 7.970 -5.318) 16.803 8.006 ( -13.812 -7.974 -0.396) 15.954 8.299 ( -2.387 -1.378 3.366) 4.351 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 0.000 6.515 0.868) 6.573 1.240 ( 0.000 10.792 12.886) 16.808 1.846 ( -0.000 -1.832 -6.355) 6.613 1.872 ( -0.000 0.744 -0.627) 0.973 2.214 ( 0.000 10.305 11.452) 15.406 3.303 ( -0.000 -5.356 -8.268) 9.852 5.312 ( 0.000 2.655 0.420) 2.688 5.705 ( -0.000 35.098 -3.573) 35.279 6.487 ( 0.000 -2.930 0.158) 2.934 6.503 ( -0.000 -1.448 -0.168) 1.458 8.436 ( 0.000 -4.233 3.201) 5.307 8.532 ( -0.000 -6.969 -2.790) 7.507 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 0.565 7.420 5.466) 9.234 1.528 ( 12.503 11.527 3.996) 17.469 1.735 ( -6.273 0.942 -1.202) 6.456 1.938 ( 3.579 2.861 -4.773) 6.617 2.425 ( 8.014 11.440 5.267) 14.928 3.242 ( -0.121 -0.394 -3.813) 3.835 5.371 ( 2.774 4.250 0.003) 5.075 6.202 ( 16.955 29.083 -2.711) 33.774 6.433 ( -2.252 -4.100 -0.106) 4.679 6.477 ( -1.020 -1.509 0.009) 1.822 8.357 ( -4.353 -10.022 3.990) 11.633 8.408 ( -4.249 -4.290 -3.785) 7.126 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 5.114 5.855 5.664) 9.618 1.699 ( -2.978 8.647 2.973) 9.617 1.863 ( 13.734 6.774 2.211) 15.473 2.028 ( 4.304 6.378 -3.960) 8.653 2.688 ( 9.638 9.518 -1.537) 13.633 3.289 ( 4.164 4.277 -1.365) 6.123 5.485 ( 4.885 6.091 -0.445) 7.820 6.338 ( -3.571 -4.388 0.321) 5.666 6.436 ( -1.406 -1.090 0.229) 1.794 6.696 ( 13.842 15.799 -2.187) 21.118 8.122 ( -10.308 -10.694 -0.659) 14.868 8.319 ( -2.120 -3.784 1.902) 4.736 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -0.000 7.722 -9.196) 12.009 1.555 ( 0.000 8.486 14.459) 16.765 1.791 ( -0.000 7.258 -18.003) 19.411 1.934 ( 0.000 3.904 5.608) 6.833 2.506 ( 0.000 14.311 5.557) 15.352 3.240 ( -0.000 1.777 -0.694) 1.908 5.396 ( 0.000 5.678 0.772) 5.730 6.359 ( -0.000 26.900 -0.928) 26.916 6.414 ( 0.000 -1.246 1.036) 1.620 6.463 ( -0.000 -2.359 -0.404) 2.394 8.288 ( 0.000 -13.411 2.993) 13.741 8.390 ( -0.000 -4.214 -4.071) 5.860 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 0.000 -0.000 4.441) 4.441 1.161 ( 0.000 -0.000 4.441) 4.441 1.867 ( -0.000 0.000 -2.477) 2.477 1.867 ( -0.000 0.000 -2.477) 2.477 2.133 ( 0.000 -0.000 9.709) 9.709 3.360 ( -0.000 0.000 -7.037) 7.037 5.288 ( -0.000 0.000 -0.009) 0.009 5.288 ( -0.000 0.000 -0.009) 0.009 6.517 ( 0.000 -0.000 0.034) 0.034 6.517 ( 0.000 -0.000 0.034) 0.034 8.478 ( 0.000 -0.000 1.378) 1.378 8.606 ( -0.000 0.000 -1.015) 1.015 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 3.328 1.921 7.375) 8.316 1.323 ( 12.047 6.956 -4.942) 14.763 1.790 ( -5.187 -2.995 5.018) 7.814 1.888 ( 2.014 1.163 -4.109) 4.721 2.262 ( 9.090 5.248 1.385) 10.587 3.272 ( -4.021 -2.321 -1.856) 5.000 5.316 ( 2.457 1.419 -0.461) 2.875 5.692 ( 29.981 17.309 -0.504) 34.622 6.488 ( -2.520 -1.455 -0.195) 2.916 6.501 ( -1.338 -0.773 0.244) 1.565 8.451 ( -2.573 -1.485 0.439) 3.003 8.518 ( -7.327 -4.230 -0.177) 8.463 =================== 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 3/40500 10.0 790.751 790.751 1753.606 -0.000 0.000 0.000 3/40500 20.0 179.212 179.212 175.382 -0.000 0.000 0.000 3/40500 30.0 87.514 87.514 66.814 -0.000 0.000 0.000 3/40500 40.0 58.909 58.909 39.998 -0.000 0.000 0.000 3/40500 50.0 43.714 43.714 28.203 -0.000 0.000 0.000 3/40500 60.0 33.984 33.984 21.477 -0.000 0.000 0.000 3/40500 70.0 27.389 27.389 17.174 -0.000 0.000 0.000 3/40500 80.0 22.759 22.759 14.236 -0.000 0.000 0.000 3/40500 90.0 19.400 19.400 12.130 -0.000 0.000 0.000 3/40500 100.0 16.883 16.883 10.562 -0.000 0.000 0.000 3/40500 110.0 14.941 14.941 9.354 -0.000 0.000 0.000 3/40500 120.0 13.403 13.403 8.398 -0.000 0.000 0.000 3/40500 130.0 12.159 12.159 7.624 -0.000 0.000 0.000 3/40500 140.0 11.131 11.131 6.984 -0.000 0.000 0.000 3/40500 150.0 10.269 10.269 6.446 -0.000 0.000 0.000 3/40500 160.0 9.534 9.534 5.987 -0.000 0.000 0.000 3/40500 170.0 8.902 8.902 5.592 -0.000 0.000 0.000 3/40500 180.0 8.351 8.351 5.247 -0.000 0.000 0.000 3/40500 190.0 7.866 7.866 4.944 -0.000 0.000 0.000 3/40500 200.0 7.437 7.437 4.675 -0.000 0.000 0.000 3/40500 210.0 7.053 7.053 4.434 -0.000 0.000 0.000 3/40500 220.0 6.708 6.708 4.218 -0.000 0.000 0.000 3/40500 230.0 6.397 6.397 4.023 -0.000 0.000 0.000 3/40500 240.0 6.114 6.114 3.845 -0.000 0.000 0.000 3/40500 250.0 5.855 5.855 3.683 -0.000 0.000 0.000 3/40500 260.0 5.619 5.619 3.534 -0.000 0.000 0.000 3/40500 270.0 5.401 5.401 3.397 -0.000 0.000 0.000 3/40500 280.0 5.199 5.199 3.270 -0.000 0.000 0.000 3/40500 290.0 5.013 5.013 3.153 -0.000 0.000 0.000 3/40500 300.0 4.840 4.840 3.044 -0.000 0.000 0.000 3/40500 310.0 4.678 4.678 2.942 -0.000 0.000 0.000 3/40500 320.0 4.527 4.527 2.847 -0.000 0.000 0.000 3/40500 330.0 4.386 4.386 2.759 -0.000 0.000 0.000 3/40500 340.0 4.254 4.254 2.675 -0.000 0.000 0.000 3/40500 350.0 4.129 4.129 2.597 -0.000 0.000 0.000 3/40500 360.0 4.012 4.012 2.523 -0.000 0.000 0.000 3/40500 370.0 3.901 3.901 2.453 -0.000 0.000 0.000 3/40500 380.0 3.796 3.796 2.387 -0.000 0.000 0.000 3/40500 390.0 3.697 3.697 2.325 -0.000 0.000 0.000 3/40500 400.0 3.603 3.603 2.266 -0.000 0.000 0.000 3/40500 410.0 3.514 3.514 2.209 -0.000 0.000 0.000 3/40500 420.0 3.429 3.429 2.156 -0.000 0.000 0.000 3/40500 430.0 3.348 3.348 2.105 -0.000 0.000 0.000 3/40500 440.0 3.271 3.271 2.056 -0.000 0.000 0.000 3/40500 450.0 3.197 3.197 2.010 -0.000 0.000 0.000 3/40500 460.0 3.127 3.127 1.966 -0.000 0.000 0.000 3/40500 470.0 3.060 3.060 1.923 -0.000 0.000 0.000 3/40500 480.0 2.995 2.995 1.883 -0.000 0.000 0.000 3/40500 490.0 2.933 2.933 1.844 -0.000 0.000 0.000 3/40500 500.0 2.874 2.874 1.807 -0.000 0.000 0.000 3/40500 510.0 2.817 2.817 1.771 -0.000 0.000 0.000 3/40500 520.0 2.763 2.763 1.737 -0.000 0.000 0.000 3/40500 530.0 2.710 2.710 1.704 -0.000 0.000 0.000 3/40500 540.0 2.660 2.660 1.672 -0.000 0.000 0.000 3/40500 550.0 2.611 2.611 1.641 -0.000 0.000 0.000 3/40500 560.0 2.564 2.564 1.612 -0.000 0.000 0.000 3/40500 570.0 2.519 2.519 1.583 -0.000 0.000 0.000 3/40500 580.0 2.475 2.475 1.556 -0.000 0.000 0.000 3/40500 590.0 2.433 2.433 1.529 -0.000 0.000 0.000 3/40500 600.0 2.392 2.392 1.503 -0.000 0.000 0.000 3/40500 610.0 2.353 2.353 1.479 -0.000 0.000 0.000 3/40500 620.0 2.315 2.315 1.455 -0.000 0.000 0.000 3/40500 630.0 2.278 2.278 1.431 -0.000 0.000 0.000 3/40500 640.0 2.242 2.242 1.409 -0.000 0.000 0.000 3/40500 650.0 2.208 2.208 1.387 -0.000 0.000 0.000 3/40500 660.0 2.174 2.174 1.366 -0.000 0.000 0.000 3/40500 670.0 2.141 2.141 1.345 -0.000 0.000 0.000 3/40500 680.0 2.110 2.110 1.326 -0.000 0.000 0.000 3/40500 690.0 2.079 2.079 1.306 -0.000 0.000 0.000 3/40500 700.0 2.049 2.049 1.288 -0.000 0.000 0.000 3/40500 710.0 2.020 2.020 1.269 -0.000 0.000 0.000 3/40500 720.0 1.992 1.992 1.252 -0.000 0.000 0.000 3/40500 730.0 1.965 1.965 1.234 -0.000 0.000 0.000 3/40500 740.0 1.938 1.938 1.218 -0.000 0.000 0.000 3/40500 750.0 1.913 1.913 1.201 -0.000 0.000 0.000 3/40500 760.0 1.887 1.887 1.186 -0.000 0.000 0.000 3/40500 770.0 1.863 1.863 1.170 -0.000 0.000 0.000 3/40500 780.0 1.839 1.839 1.155 -0.000 0.000 0.000 3/40500 790.0 1.816 1.816 1.140 -0.000 0.000 0.000 3/40500 800.0 1.793 1.793 1.126 -0.000 0.000 0.000 3/40500 810.0 1.771 1.771 1.112 -0.000 0.000 0.000 3/40500 820.0 1.749 1.749 1.099 -0.000 0.000 0.000 3/40500 830.0 1.728 1.728 1.085 -0.000 0.000 0.000 3/40500 840.0 1.707 1.707 1.072 -0.000 0.000 0.000 3/40500 850.0 1.687 1.687 1.060 -0.000 0.000 0.000 3/40500 860.0 1.668 1.668 1.047 -0.000 0.000 0.000 3/40500 870.0 1.648 1.648 1.035 -0.000 0.000 0.000 3/40500 880.0 1.630 1.630 1.024 -0.000 0.000 0.000 3/40500 890.0 1.611 1.611 1.012 -0.000 0.000 0.000 3/40500 900.0 1.594 1.594 1.001 -0.000 0.000 0.000 3/40500 910.0 1.576 1.576 0.990 -0.000 0.000 0.000 3/40500 920.0 1.559 1.559 0.979 -0.000 0.000 0.000 3/40500 930.0 1.542 1.542 0.968 -0.000 0.000 0.000 3/40500 940.0 1.526 1.526 0.958 -0.000 0.000 0.000 3/40500 950.0 1.510 1.510 0.948 -0.000 0.000 0.000 3/40500 960.0 1.494 1.494 0.938 -0.000 0.000 0.000 3/40500 970.0 1.479 1.479 0.928 -0.000 0.000 0.000 3/40500 980.0 1.463 1.463 0.919 -0.000 0.000 0.000 3/40500 990.0 1.449 1.449 0.910 -0.000 0.000 0.000 3/40500 1000.0 1.434 1.434 0.901 -0.000 0.000 0.000 3/40500 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:22:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|