----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:38:34]------------------------- 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 1.701923354061483 0.982605906607505 6.187280793333327 b -1.701923354061479 0.982605906607505 6.187280793333327 c 0.000000000000002 -1.965211813215014 6.187280793333327 Atomic positions (fractional): *1 O 0.22768011332638 0.22768011332638 0.22768011332638 15.999 2 O 0.77231988667362 0.77231988667362 0.77231988667362 15.999 *3 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 *4 Er 0.50000000000000 0.50000000000000 0.50000000000000 167.259 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.403846708122962 0.000000000000000 0.000000000000000 b -1.701923354061481 2.947817719822519 0.000000000000000 c 0.000000000000000 0.000000000000000 18.561842380000002 Atomic positions (fractional): *1 O 0.33333333333333 0.66666666666667 0.89434677999305 15.999 > 1 2 O 0.00000000000000 0.00000000000000 0.77231988667362 15.999 > 2 3 O 0.00000000000000 0.00000000000000 0.22768011332638 15.999 > 1 4 O 0.66666666666667 0.33333333333333 0.10565322000695 15.999 > 2 5 O 0.66666666666667 0.33333333333333 0.56101344665971 15.999 > 1 6 O 0.33333333333333 0.66666666666667 0.43898655334029 15.999 > 2 *7 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 3 8 K 0.66666666666667 0.33333333333333 0.33333333333333 39.098 > 3 9 K 0.33333333333333 0.66666666666667 0.66666666666667 39.098 > 3 *10 Er 0.66666666666667 0.33333333333333 0.83333333333333 167.259 > 4 11 Er 0.33333333333333 0.66666666666667 0.16666666666667 167.259 > 4 12 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.211540124368886 0.000000000000000 0.000000000000000 b -5.105770062184443 8.843453159467558 0.000000000000000 c 0.000000000000000 0.000000000000000 18.561842380000002 Atomic positions (fractional): *1 O 0.11111111111111 0.22222222222222 0.89434677999305 15.999 > 1 2 O 0.44444444444444 0.22222222222222 0.89434677999305 15.999 > 1 3 O 0.77777777777778 0.22222222222222 0.89434677999305 15.999 > 1 4 O 0.11111111111111 0.55555555555556 0.89434677999305 15.999 > 1 5 O 0.44444444444444 0.55555555555556 0.89434677999305 15.999 > 1 6 O 0.77777777777778 0.55555555555556 0.89434677999305 15.999 > 1 7 O 0.11111111111111 0.88888888888889 0.89434677999305 15.999 > 1 8 O 0.44444444444444 0.88888888888889 0.89434677999305 15.999 > 1 9 O 0.77777777777778 0.88888888888889 0.89434677999305 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.77231988667362 15.999 > 2 11 O 0.33333333333333 0.00000000000000 0.77231988667362 15.999 > 2 12 O 0.66666666666667 0.00000000000000 0.77231988667362 15.999 > 2 13 O 0.00000000000000 0.33333333333333 0.77231988667362 15.999 > 2 14 O 0.33333333333333 0.33333333333333 0.77231988667362 15.999 > 2 15 O 0.66666666666667 0.33333333333333 0.77231988667362 15.999 > 2 16 O 0.00000000000000 0.66666666666667 0.77231988667362 15.999 > 2 17 O 0.33333333333333 0.66666666666667 0.77231988667362 15.999 > 2 18 O 0.66666666666667 0.66666666666667 0.77231988667362 15.999 > 2 19 O 0.00000000000000 0.00000000000000 0.22768011332638 15.999 > 1 20 O 0.33333333333333 0.00000000000000 0.22768011332638 15.999 > 1 21 O 0.66666666666667 0.00000000000000 0.22768011332638 15.999 > 1 22 O 0.00000000000000 0.33333333333333 0.22768011332638 15.999 > 1 23 O 0.33333333333333 0.33333333333333 0.22768011332638 15.999 > 1 24 O 0.66666666666667 0.33333333333333 0.22768011332638 15.999 > 1 25 O 0.00000000000000 0.66666666666667 0.22768011332638 15.999 > 1 26 O 0.33333333333333 0.66666666666667 0.22768011332638 15.999 > 1 27 O 0.66666666666667 0.66666666666667 0.22768011332638 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.10565322000695 15.999 > 2 29 O 0.55555555555556 0.11111111111111 0.10565322000695 15.999 > 2 30 O 0.88888888888889 0.11111111111111 0.10565322000695 15.999 > 2 31 O 0.22222222222222 0.44444444444444 0.10565322000695 15.999 > 2 32 O 0.55555555555556 0.44444444444444 0.10565322000695 15.999 > 2 33 O 0.88888888888889 0.44444444444444 0.10565322000695 15.999 > 2 34 O 0.22222222222222 0.77777777777778 0.10565322000695 15.999 > 2 35 O 0.55555555555556 0.77777777777778 0.10565322000695 15.999 > 2 36 O 0.88888888888889 0.77777777777778 0.10565322000695 15.999 > 2 37 O 0.22222222222222 0.11111111111111 0.56101344665971 15.999 > 1 38 O 0.55555555555556 0.11111111111111 0.56101344665971 15.999 > 1 39 O 0.88888888888889 0.11111111111111 0.56101344665971 15.999 > 1 40 O 0.22222222222222 0.44444444444444 0.56101344665971 15.999 > 1 41 O 0.55555555555556 0.44444444444444 0.56101344665971 15.999 > 1 42 O 0.88888888888889 0.44444444444444 0.56101344665971 15.999 > 1 43 O 0.22222222222222 0.77777777777778 0.56101344665971 15.999 > 1 44 O 0.55555555555556 0.77777777777778 0.56101344665971 15.999 > 1 45 O 0.88888888888889 0.77777777777778 0.56101344665971 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.43898655334029 15.999 > 2 47 O 0.44444444444444 0.22222222222222 0.43898655334029 15.999 > 2 48 O 0.77777777777778 0.22222222222222 0.43898655334029 15.999 > 2 49 O 0.11111111111111 0.55555555555556 0.43898655334029 15.999 > 2 50 O 0.44444444444444 0.55555555555556 0.43898655334029 15.999 > 2 51 O 0.77777777777778 0.55555555555556 0.43898655334029 15.999 > 2 52 O 0.11111111111111 0.88888888888889 0.43898655334029 15.999 > 2 53 O 0.44444444444444 0.88888888888889 0.43898655334029 15.999 > 2 54 O 0.77777777777778 0.88888888888889 0.43898655334029 15.999 > 2 *55 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 3 56 K 0.33333333333333 0.00000000000000 0.00000000000000 39.098 > 3 57 K 0.66666666666667 0.00000000000000 0.00000000000000 39.098 > 3 58 K 0.00000000000000 0.33333333333333 0.00000000000000 39.098 > 3 59 K 0.33333333333333 0.33333333333333 0.00000000000000 39.098 > 3 60 K 0.66666666666667 0.33333333333333 0.00000000000000 39.098 > 3 61 K 0.00000000000000 0.66666666666667 0.00000000000000 39.098 > 3 62 K 0.33333333333333 0.66666666666667 0.00000000000000 39.098 > 3 63 K 0.66666666666667 0.66666666666667 0.00000000000000 39.098 > 3 64 K 0.22222222222222 0.11111111111111 0.33333333333333 39.098 > 3 65 K 0.55555555555556 0.11111111111111 0.33333333333333 39.098 > 3 66 K 0.88888888888889 0.11111111111111 0.33333333333333 39.098 > 3 67 K 0.22222222222222 0.44444444444444 0.33333333333333 39.098 > 3 68 K 0.55555555555556 0.44444444444444 0.33333333333333 39.098 > 3 69 K 0.88888888888889 0.44444444444444 0.33333333333333 39.098 > 3 70 K 0.22222222222222 0.77777777777778 0.33333333333333 39.098 > 3 71 K 0.55555555555556 0.77777777777778 0.33333333333333 39.098 > 3 72 K 0.88888888888889 0.77777777777778 0.33333333333333 39.098 > 3 73 K 0.11111111111111 0.22222222222222 0.66666666666667 39.098 > 3 74 K 0.44444444444444 0.22222222222222 0.66666666666667 39.098 > 3 75 K 0.77777777777778 0.22222222222222 0.66666666666667 39.098 > 3 76 K 0.11111111111111 0.55555555555556 0.66666666666667 39.098 > 3 77 K 0.44444444444444 0.55555555555556 0.66666666666667 39.098 > 3 78 K 0.77777777777778 0.55555555555556 0.66666666666667 39.098 > 3 79 K 0.11111111111111 0.88888888888889 0.66666666666667 39.098 > 3 80 K 0.44444444444444 0.88888888888889 0.66666666666667 39.098 > 3 81 K 0.77777777777778 0.88888888888889 0.66666666666667 39.098 > 3 *82 Er 0.22222222222222 0.11111111111111 0.83333333333333 167.259 > 4 83 Er 0.55555555555556 0.11111111111111 0.83333333333333 167.259 > 4 84 Er 0.88888888888889 0.11111111111111 0.83333333333333 167.259 > 4 85 Er 0.22222222222222 0.44444444444444 0.83333333333333 167.259 > 4 86 Er 0.55555555555556 0.44444444444444 0.83333333333333 167.259 > 4 87 Er 0.88888888888889 0.44444444444444 0.83333333333333 167.259 > 4 88 Er 0.22222222222222 0.77777777777778 0.83333333333333 167.259 > 4 89 Er 0.55555555555556 0.77777777777778 0.83333333333333 167.259 > 4 90 Er 0.88888888888889 0.77777777777778 0.83333333333333 167.259 > 4 91 Er 0.11111111111111 0.22222222222222 0.16666666666667 167.259 > 4 92 Er 0.44444444444444 0.22222222222222 0.16666666666667 167.259 > 4 93 Er 0.77777777777778 0.22222222222222 0.16666666666667 167.259 > 4 94 Er 0.11111111111111 0.55555555555556 0.16666666666667 167.259 > 4 95 Er 0.44444444444444 0.55555555555556 0.16666666666667 167.259 > 4 96 Er 0.77777777777778 0.55555555555556 0.16666666666667 167.259 > 4 97 Er 0.11111111111111 0.88888888888889 0.16666666666667 167.259 > 4 98 Er 0.44444444444444 0.88888888888889 0.16666666666667 167.259 > 4 99 Er 0.77777777777778 0.88888888888889 0.16666666666667 167.259 > 4 100 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 4 101 Er 0.33333333333333 0.00000000000000 0.50000000000000 167.259 > 4 102 Er 0.66666666666667 0.00000000000000 0.50000000000000 167.259 > 4 103 Er 0.00000000000000 0.33333333333333 0.50000000000000 167.259 > 4 104 Er 0.33333333333333 0.33333333333333 0.50000000000000 167.259 > 4 105 Er 0.66666666666667 0.33333333333333 0.50000000000000 167.259 > 4 106 Er 0.00000000000000 0.66666666666667 0.50000000000000 167.259 > 4 107 Er 0.33333333333333 0.66666666666667 0.50000000000000 167.259 > 4 108 Er 0.66666666666667 0.66666666666667 0.50000000000000 167.259 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8056626 0.0000000 0.0000000 0.0000000 3.8056626 0.0000000 0.0000000 0.0000000 3.2659374 -------------------------- Born effective charges -------------------------- 1 O -2.6049594 -0.0000000 0.0000000 0.0000000 -2.6049594 0.0000000 0.0000000 0.0000000 -1.9519459 2 O -2.6049594 -0.0000000 0.0000000 0.0000000 -2.6049594 0.0000000 0.0000000 0.0000000 -1.9519459 3 K 1.0378147 0.0000000 0.0000000 0.0000000 1.0378147 0.0000000 0.0000000 0.0000000 1.5790866 4 Er 4.1721041 0.0000000 0.0000000 0.0000000 4.1721041 0.0000000 0.0000000 0.0000000 2.3248053 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 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: 0.113 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.120 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 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 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:38:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:38:38]------------------------- 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 1.701923354061483 0.982605906607505 6.187280793333327 b -1.701923354061479 0.982605906607505 6.187280793333327 c 0.000000000000002 -1.965211813215014 6.187280793333327 Atomic positions (fractional): 1 O 0.22768011332638 0.22768011332638 0.22768011332638 15.999 2 O 0.77231988667362 0.77231988667362 0.77231988667362 15.999 3 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 4 Er 0.50000000000000 0.50000000000000 0.50000000000000 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.211540124368886 0.000000000000000 0.000000000000000 b -5.105770062184443 8.843453159467558 0.000000000000000 c 0.000000000000000 0.000000000000000 18.561842380000002 Atomic positions (fractional): 1 O 0.11111111111111 0.22222222222222 0.89434677999305 15.999 > 1 2 O 0.44444444444444 0.22222222222222 0.89434677999305 15.999 > 1 3 O 0.77777777777778 0.22222222222222 0.89434677999305 15.999 > 1 4 O 0.11111111111111 0.55555555555556 0.89434677999305 15.999 > 1 5 O 0.44444444444444 0.55555555555556 0.89434677999305 15.999 > 1 6 O 0.77777777777778 0.55555555555556 0.89434677999305 15.999 > 1 7 O 0.11111111111111 0.88888888888889 0.89434677999305 15.999 > 1 8 O 0.44444444444444 0.88888888888889 0.89434677999305 15.999 > 1 9 O 0.77777777777778 0.88888888888889 0.89434677999305 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.77231988667362 15.999 > 10 11 O 0.33333333333333 0.00000000000000 0.77231988667362 15.999 > 10 12 O 0.66666666666667 0.00000000000000 0.77231988667362 15.999 > 10 13 O 0.00000000000000 0.33333333333333 0.77231988667362 15.999 > 10 14 O 0.33333333333333 0.33333333333333 0.77231988667362 15.999 > 10 15 O 0.66666666666667 0.33333333333333 0.77231988667362 15.999 > 10 16 O 0.00000000000000 0.66666666666667 0.77231988667362 15.999 > 10 17 O 0.33333333333333 0.66666666666667 0.77231988667362 15.999 > 10 18 O 0.66666666666667 0.66666666666667 0.77231988667362 15.999 > 10 19 O 0.00000000000000 0.00000000000000 0.22768011332638 15.999 > 1 20 O 0.33333333333333 0.00000000000000 0.22768011332638 15.999 > 1 21 O 0.66666666666667 0.00000000000000 0.22768011332638 15.999 > 1 22 O 0.00000000000000 0.33333333333333 0.22768011332638 15.999 > 1 23 O 0.33333333333333 0.33333333333333 0.22768011332638 15.999 > 1 24 O 0.66666666666667 0.33333333333333 0.22768011332638 15.999 > 1 25 O 0.00000000000000 0.66666666666667 0.22768011332638 15.999 > 1 26 O 0.33333333333333 0.66666666666667 0.22768011332638 15.999 > 1 27 O 0.66666666666667 0.66666666666667 0.22768011332638 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.10565322000695 15.999 > 10 29 O 0.55555555555556 0.11111111111111 0.10565322000695 15.999 > 10 30 O 0.88888888888889 0.11111111111111 0.10565322000695 15.999 > 10 31 O 0.22222222222222 0.44444444444444 0.10565322000695 15.999 > 10 32 O 0.55555555555556 0.44444444444444 0.10565322000695 15.999 > 10 33 O 0.88888888888889 0.44444444444444 0.10565322000695 15.999 > 10 34 O 0.22222222222222 0.77777777777778 0.10565322000695 15.999 > 10 35 O 0.55555555555556 0.77777777777778 0.10565322000695 15.999 > 10 36 O 0.88888888888889 0.77777777777778 0.10565322000695 15.999 > 10 37 O 0.22222222222222 0.11111111111111 0.56101344665971 15.999 > 1 38 O 0.55555555555556 0.11111111111111 0.56101344665971 15.999 > 1 39 O 0.88888888888889 0.11111111111111 0.56101344665971 15.999 > 1 40 O 0.22222222222222 0.44444444444444 0.56101344665971 15.999 > 1 41 O 0.55555555555556 0.44444444444444 0.56101344665971 15.999 > 1 42 O 0.88888888888889 0.44444444444444 0.56101344665971 15.999 > 1 43 O 0.22222222222222 0.77777777777778 0.56101344665971 15.999 > 1 44 O 0.55555555555556 0.77777777777778 0.56101344665971 15.999 > 1 45 O 0.88888888888889 0.77777777777778 0.56101344665971 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.43898655334029 15.999 > 10 47 O 0.44444444444444 0.22222222222222 0.43898655334029 15.999 > 10 48 O 0.77777777777778 0.22222222222222 0.43898655334029 15.999 > 10 49 O 0.11111111111111 0.55555555555556 0.43898655334029 15.999 > 10 50 O 0.44444444444444 0.55555555555556 0.43898655334029 15.999 > 10 51 O 0.77777777777778 0.55555555555556 0.43898655334029 15.999 > 10 52 O 0.11111111111111 0.88888888888889 0.43898655334029 15.999 > 10 53 O 0.44444444444444 0.88888888888889 0.43898655334029 15.999 > 10 54 O 0.77777777777778 0.88888888888889 0.43898655334029 15.999 > 10 55 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 55 56 K 0.33333333333333 0.00000000000000 0.00000000000000 39.098 > 55 57 K 0.66666666666667 0.00000000000000 0.00000000000000 39.098 > 55 58 K 0.00000000000000 0.33333333333333 0.00000000000000 39.098 > 55 59 K 0.33333333333333 0.33333333333333 0.00000000000000 39.098 > 55 60 K 0.66666666666667 0.33333333333333 0.00000000000000 39.098 > 55 61 K 0.00000000000000 0.66666666666667 0.00000000000000 39.098 > 55 62 K 0.33333333333333 0.66666666666667 0.00000000000000 39.098 > 55 63 K 0.66666666666667 0.66666666666667 0.00000000000000 39.098 > 55 64 K 0.22222222222222 0.11111111111111 0.33333333333333 39.098 > 55 65 K 0.55555555555556 0.11111111111111 0.33333333333333 39.098 > 55 66 K 0.88888888888889 0.11111111111111 0.33333333333333 39.098 > 55 67 K 0.22222222222222 0.44444444444444 0.33333333333333 39.098 > 55 68 K 0.55555555555556 0.44444444444444 0.33333333333333 39.098 > 55 69 K 0.88888888888889 0.44444444444444 0.33333333333333 39.098 > 55 70 K 0.22222222222222 0.77777777777778 0.33333333333333 39.098 > 55 71 K 0.55555555555556 0.77777777777778 0.33333333333333 39.098 > 55 72 K 0.88888888888889 0.77777777777778 0.33333333333333 39.098 > 55 73 K 0.11111111111111 0.22222222222222 0.66666666666667 39.098 > 55 74 K 0.44444444444444 0.22222222222222 0.66666666666667 39.098 > 55 75 K 0.77777777777778 0.22222222222222 0.66666666666667 39.098 > 55 76 K 0.11111111111111 0.55555555555556 0.66666666666667 39.098 > 55 77 K 0.44444444444444 0.55555555555556 0.66666666666667 39.098 > 55 78 K 0.77777777777778 0.55555555555556 0.66666666666667 39.098 > 55 79 K 0.11111111111111 0.88888888888889 0.66666666666667 39.098 > 55 80 K 0.44444444444444 0.88888888888889 0.66666666666667 39.098 > 55 81 K 0.77777777777778 0.88888888888889 0.66666666666667 39.098 > 55 82 Er 0.22222222222222 0.11111111111111 0.83333333333333 167.259 > 82 83 Er 0.55555555555556 0.11111111111111 0.83333333333333 167.259 > 82 84 Er 0.88888888888889 0.11111111111111 0.83333333333333 167.259 > 82 85 Er 0.22222222222222 0.44444444444444 0.83333333333333 167.259 > 82 86 Er 0.55555555555556 0.44444444444444 0.83333333333333 167.259 > 82 87 Er 0.88888888888889 0.44444444444444 0.83333333333333 167.259 > 82 88 Er 0.22222222222222 0.77777777777778 0.83333333333333 167.259 > 82 89 Er 0.55555555555556 0.77777777777778 0.83333333333333 167.259 > 82 90 Er 0.88888888888889 0.77777777777778 0.83333333333333 167.259 > 82 91 Er 0.11111111111111 0.22222222222222 0.16666666666667 167.259 > 82 92 Er 0.44444444444444 0.22222222222222 0.16666666666667 167.259 > 82 93 Er 0.77777777777778 0.22222222222222 0.16666666666667 167.259 > 82 94 Er 0.11111111111111 0.55555555555556 0.16666666666667 167.259 > 82 95 Er 0.44444444444444 0.55555555555556 0.16666666666667 167.259 > 82 96 Er 0.77777777777778 0.55555555555556 0.16666666666667 167.259 > 82 97 Er 0.11111111111111 0.88888888888889 0.16666666666667 167.259 > 82 98 Er 0.44444444444444 0.88888888888889 0.16666666666667 167.259 > 82 99 Er 0.77777777777778 0.88888888888889 0.16666666666667 167.259 > 82 100 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 82 101 Er 0.33333333333333 0.00000000000000 0.50000000000000 167.259 > 82 102 Er 0.66666666666667 0.00000000000000 0.50000000000000 167.259 > 82 103 Er 0.00000000000000 0.33333333333333 0.50000000000000 167.259 > 82 104 Er 0.33333333333333 0.33333333333333 0.50000000000000 167.259 > 82 105 Er 0.66666666666667 0.33333333333333 0.50000000000000 167.259 > 82 106 Er 0.00000000000000 0.66666666666667 0.50000000000000 167.259 > 82 107 Er 0.33333333333333 0.66666666666667 0.50000000000000 167.259 > 82 108 Er 0.66666666666667 0.66666666666667 0.50000000000000 167.259 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8056626 0.0000000 0.0000000 0.0000000 3.8056626 0.0000000 0.0000000 0.0000000 3.2659374 -------------------------- Born effective charges -------------------------- 1 O -2.6049594 -0.0000000 0.0000000 0.0000000 -2.6049594 0.0000000 0.0000000 0.0000000 -1.9519459 2 O -2.6049594 -0.0000000 0.0000000 0.0000000 -2.6049594 0.0000000 0.0000000 0.0000000 -1.9519459 3 K 1.0378147 0.0000000 0.0000000 0.0000000 1.0378147 0.0000000 0.0000000 0.0000000 1.5790866 4 Er 4.1721041 0.0000000 0.0000000 0.0000000 4.1721041 0.0000000 0.0000000 0.0000000 2.3248053 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (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 22:38:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:38:43]------------------------- 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 1.701923354061483 0.982605906607505 6.187280793333327 b -1.701923354061479 0.982605906607505 6.187280793333327 c 0.000000000000002 -1.965211813215014 6.187280793333327 Atomic positions (fractional): 1 O 0.22768011332638 0.22768011332638 0.22768011332638 15.999 2 O 0.77231988667362 0.77231988667362 0.77231988667362 15.999 3 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 4 Er 0.50000000000000 0.50000000000000 0.50000000000000 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.211540124368886 0.000000000000000 0.000000000000000 b -5.105770062184443 8.843453159467558 0.000000000000000 c 0.000000000000000 0.000000000000000 18.561842380000002 Atomic positions (fractional): 1 O 0.11111111111111 0.22222222222222 0.89434677999305 15.999 > 1 2 O 0.44444444444444 0.22222222222222 0.89434677999305 15.999 > 1 3 O 0.77777777777778 0.22222222222222 0.89434677999305 15.999 > 1 4 O 0.11111111111111 0.55555555555556 0.89434677999305 15.999 > 1 5 O 0.44444444444444 0.55555555555556 0.89434677999305 15.999 > 1 6 O 0.77777777777778 0.55555555555556 0.89434677999305 15.999 > 1 7 O 0.11111111111111 0.88888888888889 0.89434677999305 15.999 > 1 8 O 0.44444444444444 0.88888888888889 0.89434677999305 15.999 > 1 9 O 0.77777777777778 0.88888888888889 0.89434677999305 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.77231988667362 15.999 > 10 11 O 0.33333333333333 0.00000000000000 0.77231988667362 15.999 > 10 12 O 0.66666666666667 0.00000000000000 0.77231988667362 15.999 > 10 13 O 0.00000000000000 0.33333333333333 0.77231988667362 15.999 > 10 14 O 0.33333333333333 0.33333333333333 0.77231988667362 15.999 > 10 15 O 0.66666666666667 0.33333333333333 0.77231988667362 15.999 > 10 16 O 0.00000000000000 0.66666666666667 0.77231988667362 15.999 > 10 17 O 0.33333333333333 0.66666666666667 0.77231988667362 15.999 > 10 18 O 0.66666666666667 0.66666666666667 0.77231988667362 15.999 > 10 19 O 0.00000000000000 0.00000000000000 0.22768011332638 15.999 > 1 20 O 0.33333333333333 0.00000000000000 0.22768011332638 15.999 > 1 21 O 0.66666666666667 0.00000000000000 0.22768011332638 15.999 > 1 22 O 0.00000000000000 0.33333333333333 0.22768011332638 15.999 > 1 23 O 0.33333333333333 0.33333333333333 0.22768011332638 15.999 > 1 24 O 0.66666666666667 0.33333333333333 0.22768011332638 15.999 > 1 25 O 0.00000000000000 0.66666666666667 0.22768011332638 15.999 > 1 26 O 0.33333333333333 0.66666666666667 0.22768011332638 15.999 > 1 27 O 0.66666666666667 0.66666666666667 0.22768011332638 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.10565322000695 15.999 > 10 29 O 0.55555555555556 0.11111111111111 0.10565322000695 15.999 > 10 30 O 0.88888888888889 0.11111111111111 0.10565322000695 15.999 > 10 31 O 0.22222222222222 0.44444444444444 0.10565322000695 15.999 > 10 32 O 0.55555555555556 0.44444444444444 0.10565322000695 15.999 > 10 33 O 0.88888888888889 0.44444444444444 0.10565322000695 15.999 > 10 34 O 0.22222222222222 0.77777777777778 0.10565322000695 15.999 > 10 35 O 0.55555555555556 0.77777777777778 0.10565322000695 15.999 > 10 36 O 0.88888888888889 0.77777777777778 0.10565322000695 15.999 > 10 37 O 0.22222222222222 0.11111111111111 0.56101344665971 15.999 > 1 38 O 0.55555555555556 0.11111111111111 0.56101344665971 15.999 > 1 39 O 0.88888888888889 0.11111111111111 0.56101344665971 15.999 > 1 40 O 0.22222222222222 0.44444444444444 0.56101344665971 15.999 > 1 41 O 0.55555555555556 0.44444444444444 0.56101344665971 15.999 > 1 42 O 0.88888888888889 0.44444444444444 0.56101344665971 15.999 > 1 43 O 0.22222222222222 0.77777777777778 0.56101344665971 15.999 > 1 44 O 0.55555555555556 0.77777777777778 0.56101344665971 15.999 > 1 45 O 0.88888888888889 0.77777777777778 0.56101344665971 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.43898655334029 15.999 > 10 47 O 0.44444444444444 0.22222222222222 0.43898655334029 15.999 > 10 48 O 0.77777777777778 0.22222222222222 0.43898655334029 15.999 > 10 49 O 0.11111111111111 0.55555555555556 0.43898655334029 15.999 > 10 50 O 0.44444444444444 0.55555555555556 0.43898655334029 15.999 > 10 51 O 0.77777777777778 0.55555555555556 0.43898655334029 15.999 > 10 52 O 0.11111111111111 0.88888888888889 0.43898655334029 15.999 > 10 53 O 0.44444444444444 0.88888888888889 0.43898655334029 15.999 > 10 54 O 0.77777777777778 0.88888888888889 0.43898655334029 15.999 > 10 55 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 55 56 K 0.33333333333333 0.00000000000000 0.00000000000000 39.098 > 55 57 K 0.66666666666667 0.00000000000000 0.00000000000000 39.098 > 55 58 K 0.00000000000000 0.33333333333333 0.00000000000000 39.098 > 55 59 K 0.33333333333333 0.33333333333333 0.00000000000000 39.098 > 55 60 K 0.66666666666667 0.33333333333333 0.00000000000000 39.098 > 55 61 K 0.00000000000000 0.66666666666667 0.00000000000000 39.098 > 55 62 K 0.33333333333333 0.66666666666667 0.00000000000000 39.098 > 55 63 K 0.66666666666667 0.66666666666667 0.00000000000000 39.098 > 55 64 K 0.22222222222222 0.11111111111111 0.33333333333333 39.098 > 55 65 K 0.55555555555556 0.11111111111111 0.33333333333333 39.098 > 55 66 K 0.88888888888889 0.11111111111111 0.33333333333333 39.098 > 55 67 K 0.22222222222222 0.44444444444444 0.33333333333333 39.098 > 55 68 K 0.55555555555556 0.44444444444444 0.33333333333333 39.098 > 55 69 K 0.88888888888889 0.44444444444444 0.33333333333333 39.098 > 55 70 K 0.22222222222222 0.77777777777778 0.33333333333333 39.098 > 55 71 K 0.55555555555556 0.77777777777778 0.33333333333333 39.098 > 55 72 K 0.88888888888889 0.77777777777778 0.33333333333333 39.098 > 55 73 K 0.11111111111111 0.22222222222222 0.66666666666667 39.098 > 55 74 K 0.44444444444444 0.22222222222222 0.66666666666667 39.098 > 55 75 K 0.77777777777778 0.22222222222222 0.66666666666667 39.098 > 55 76 K 0.11111111111111 0.55555555555556 0.66666666666667 39.098 > 55 77 K 0.44444444444444 0.55555555555556 0.66666666666667 39.098 > 55 78 K 0.77777777777778 0.55555555555556 0.66666666666667 39.098 > 55 79 K 0.11111111111111 0.88888888888889 0.66666666666667 39.098 > 55 80 K 0.44444444444444 0.88888888888889 0.66666666666667 39.098 > 55 81 K 0.77777777777778 0.88888888888889 0.66666666666667 39.098 > 55 82 Er 0.22222222222222 0.11111111111111 0.83333333333333 167.259 > 82 83 Er 0.55555555555556 0.11111111111111 0.83333333333333 167.259 > 82 84 Er 0.88888888888889 0.11111111111111 0.83333333333333 167.259 > 82 85 Er 0.22222222222222 0.44444444444444 0.83333333333333 167.259 > 82 86 Er 0.55555555555556 0.44444444444444 0.83333333333333 167.259 > 82 87 Er 0.88888888888889 0.44444444444444 0.83333333333333 167.259 > 82 88 Er 0.22222222222222 0.77777777777778 0.83333333333333 167.259 > 82 89 Er 0.55555555555556 0.77777777777778 0.83333333333333 167.259 > 82 90 Er 0.88888888888889 0.77777777777778 0.83333333333333 167.259 > 82 91 Er 0.11111111111111 0.22222222222222 0.16666666666667 167.259 > 82 92 Er 0.44444444444444 0.22222222222222 0.16666666666667 167.259 > 82 93 Er 0.77777777777778 0.22222222222222 0.16666666666667 167.259 > 82 94 Er 0.11111111111111 0.55555555555556 0.16666666666667 167.259 > 82 95 Er 0.44444444444444 0.55555555555556 0.16666666666667 167.259 > 82 96 Er 0.77777777777778 0.55555555555556 0.16666666666667 167.259 > 82 97 Er 0.11111111111111 0.88888888888889 0.16666666666667 167.259 > 82 98 Er 0.44444444444444 0.88888888888889 0.16666666666667 167.259 > 82 99 Er 0.77777777777778 0.88888888888889 0.16666666666667 167.259 > 82 100 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 82 101 Er 0.33333333333333 0.00000000000000 0.50000000000000 167.259 > 82 102 Er 0.66666666666667 0.00000000000000 0.50000000000000 167.259 > 82 103 Er 0.00000000000000 0.33333333333333 0.50000000000000 167.259 > 82 104 Er 0.33333333333333 0.33333333333333 0.50000000000000 167.259 > 82 105 Er 0.66666666666667 0.33333333333333 0.50000000000000 167.259 > 82 106 Er 0.00000000000000 0.66666666666667 0.50000000000000 167.259 > 82 107 Er 0.33333333333333 0.66666666666667 0.50000000000000 167.259 > 82 108 Er 0.66666666666667 0.66666666666667 0.50000000000000 167.259 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8056626 0.0000000 0.0000000 0.0000000 3.8056626 0.0000000 0.0000000 0.0000000 3.2659374 -------------------------- Born effective charges -------------------------- 1 O -2.6049594 -0.0000000 0.0000000 0.0000000 -2.6049594 0.0000000 0.0000000 0.0000000 -1.9519459 2 O -2.6049594 -0.0000000 0.0000000 0.0000000 -2.6049594 0.0000000 0.0000000 0.0000000 -1.9519459 3 K 1.0378147 0.0000000 0.0000000 0.0000000 1.0378147 0.0000000 0.0000000 0.0000000 1.5790866 4 Er 4.1721041 0.0000000 0.0000000 0.0000000 4.1721041 0.0000000 0.0000000 0.0000000 2.3248053 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 17 17 17 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.05, Number of G-points: 313, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/489) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.094 ( 0.000 0.000 0.000) 0.000 3.094 ( 0.000 0.000 0.000) 0.000 6.086 ( 0.000 0.000 0.000) 0.000 7.494 ( 0.000 0.000 0.000) 0.000 7.494 ( 0.000 0.000 0.000) 0.000 10.443 ( 0.000 0.000 0.000) 0.000 11.197 ( 0.000 0.000 0.000) 0.000 11.197 ( 0.000 0.000 0.000) 0.000 14.521 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/489) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 21.914 12.652 7.414) 26.368 0.626 ( 26.870 15.514 0.469) 31.031 1.147 ( 48.486 27.993 5.954) 56.302 3.113 ( 1.742 1.006 -0.709) 2.133 3.221 ( 10.304 5.949 0.199) 11.900 6.074 ( -1.885 -1.089 2.568) 3.367 7.549 ( 4.731 2.731 0.536) 5.489 10.136 ( -17.547 -10.131 -8.355) 21.916 11.164 ( -2.778 -1.604 -0.121) 3.210 11.406 ( 16.158 9.329 -18.325) 26.152 14.347 ( -13.931 -8.043 1.784) 16.185 15.516 ( 4.775 2.757 -9.166) 10.697 ======================= Grid point 2 (3/489) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 22.044 12.727 5.420) 26.025 1.235 ( 25.690 14.832 0.624) 29.671 2.260 ( 46.266 26.712 5.064) 53.663 3.167 ( 3.177 1.834 -1.331) 3.903 3.547 ( 17.174 9.916 0.605) 19.841 6.018 ( -3.384 -1.954 -0.060) 3.908 7.714 ( 9.289 5.363 0.833) 10.759 9.673 ( -20.279 -11.708 1.219) 23.447 11.074 ( -4.783 -2.761 -0.172) 5.526 11.705 ( 13.840 7.991 -18.810) 24.682 13.953 ( -20.518 -11.846 6.587) 24.590 15.569 ( 1.251 0.722 -6.287) 6.451 ======================= Grid point 3 (4/489) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 21.708 12.533 3.315) 25.284 1.806 ( 23.503 13.569 0.839) 27.152 3.247 ( 4.082 2.357 -1.804) 5.047 3.295 ( 41.987 24.241 3.550) 48.613 3.984 ( 19.850 11.460 1.055) 22.945 5.915 ( -5.418 -3.128 -1.352) 6.400 7.977 ( 13.159 7.597 0.761) 15.213 9.251 ( -15.993 -9.234 0.559) 18.476 10.953 ( -5.450 -3.147 -0.099) 6.294 11.896 ( 7.302 4.216 -17.733) 19.636 13.475 ( -23.215 -13.403 13.387) 29.963 15.524 ( -2.981 -1.721 -8.291) 8.977 ======================= Grid point 4 (5/489) ======================= q-point: ( 0.24 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 20.344 11.746 1.990) 23.576 2.316 ( 20.314 11.728 1.071) 23.481 3.339 ( 4.344 2.508 -2.103) 5.439 4.196 ( 34.984 20.198 1.559) 40.426 4.445 ( 19.651 11.346 0.831) 22.707 5.760 ( -7.565 -4.367 -1.182) 8.815 8.312 ( 15.405 8.894 0.348) 17.792 8.966 ( -8.015 -4.627 -1.854) 9.439 10.835 ( -4.581 -2.645 0.122) 5.291 11.911 ( -1.350 -0.779 -18.355) 18.421 12.984 ( -23.883 -13.789 20.477) 34.349 15.398 ( -4.681 -2.703 -10.413) 11.733 ======================= Grid point 5 (6/489) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 17.686 10.211 1.678) 20.491 2.744 ( 16.404 9.471 1.290) 18.985 3.429 ( 3.940 2.274 -2.242) 5.071 4.829 ( 17.650 10.190 2.111) 20.490 4.944 ( 24.939 14.399 -5.476) 29.313 5.573 ( -8.027 -4.635 2.958) 9.730 8.669 ( 15.067 8.699 -0.227) 17.400 8.884 ( 1.762 1.017 -4.109) 4.585 10.753 ( -2.445 -1.412 0.442) 2.858 11.719 ( -9.728 -5.616 -18.124) 21.323 12.500 ( -24.430 -14.105 22.814) 36.281 15.273 ( -2.797 -1.615 -10.013) 10.521 ======================= Grid point 6 (7/489) ======================= q-point: ( 0.35 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( 13.902 8.027 1.942) 16.170 3.077 ( 12.177 7.031 1.490) 14.140 3.502 ( 2.893 1.670 -2.253) 4.030 5.120 ( 4.501 2.599 -6.895) 8.635 5.281 ( 5.866 3.387 -4.578) 8.176 5.593 ( 11.810 6.818 10.006) 16.914 8.984 ( 11.947 6.897 -0.676) 13.811 9.017 ( 10.899 6.293 -5.453) 13.716 10.728 ( 0.075 0.043 0.695) 0.700 11.383 ( -14.534 -8.391 -13.109) 21.295 11.990 ( -25.096 -14.489 17.112) 33.654 15.219 ( 0.373 0.215 -6.994) 7.007 ======================= Grid point 7 (8/489) ======================= q-point: ( 0.41 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.162 ( 9.230 5.329 1.936) 10.832 3.314 ( 7.992 4.614 1.666) 9.378 3.543 ( 1.238 0.715 -2.160) 2.590 5.005 ( -6.479 -3.741 -6.937) 10.203 5.469 ( 7.682 4.435 2.060) 9.106 5.902 ( 10.599 6.119 3.171) 12.643 9.203 ( 7.187 4.149 -0.710) 8.329 9.335 ( 17.721 10.231 -5.692) 21.239 10.752 ( 1.484 0.857 0.652) 1.833 10.972 ( -19.232 -11.104 -3.623) 22.501 11.500 ( -18.956 -10.944 6.773) 22.913 15.232 ( 1.787 1.032 -3.569) 4.123 ======================= Grid point 8 (9/489) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.315 ( 3.368 1.945 0.887) 3.989 3.457 ( 3.811 2.200 1.539) 4.662 3.542 ( -0.706 -0.408 -1.710) 1.894 4.873 ( -2.928 -1.691 -2.363) 4.125 5.598 ( 2.815 1.625 0.736) 3.333 6.074 ( 3.676 2.122 0.825) 4.324 9.310 ( 2.320 1.340 -0.297) 2.696 9.759 ( 18.103 10.452 -4.335) 21.349 10.490 ( -19.663 -11.352 2.668) 22.861 10.784 ( 0.841 0.486 0.264) 1.007 11.222 ( -5.936 -3.427 0.436) 6.868 15.260 ( 0.907 0.524 -1.027) 1.467 ======================= Grid point 18 (10/489) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 0.000 23.640 18.823) 30.219 0.664 ( -0.000 30.243 8.023) 31.289 1.143 ( -0.000 55.108 5.372) 55.369 3.115 ( -0.000 2.178 -0.306) 2.199 3.215 ( -0.000 11.688 -1.078) 11.737 6.082 ( 0.000 -3.770 4.138) 5.598 7.546 ( -0.000 5.308 -0.131) 5.310 10.048 ( -0.000 -11.816 -26.046) 28.601 11.164 ( 0.000 -3.210 -0.181) 3.215 11.398 ( -0.000 21.048 -17.989) 27.688 14.348 ( 0.000 -16.538 1.884) 16.645 15.464 ( -0.000 9.343 -17.795) 20.099 ======================= Grid point 19 (11/489) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 10.199 21.708 13.880) 27.711 1.122 ( 13.460 27.041 4.739) 30.575 1.971 ( 28.143 45.501 5.903) 53.826 3.154 ( 1.463 3.553 -0.994) 3.969 3.435 ( 9.494 14.978 -0.646) 17.745 6.036 ( -1.770 -3.546 0.188) 3.968 7.658 ( 5.091 7.895 0.407) 9.404 9.778 ( -8.464 -19.075 -3.997) 21.248 11.087 ( -2.871 -4.704 -0.761) 5.563 11.596 ( 5.655 18.405 -21.408) 28.793 14.077 ( -9.884 -20.187 5.176) 23.065 15.530 ( 2.448 4.119 -10.065) 11.147 ======================= Grid point 20 (12/489) ======================= q-point: ( 0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 15.012 18.974 8.729) 25.721 1.650 ( 16.576 23.411 2.858) 28.827 2.945 ( 33.669 36.751 4.651) 50.058 3.227 ( 2.397 5.158 -1.678) 5.930 3.807 ( 15.387 15.216 0.182) 21.641 5.950 ( -3.494 -4.278 -1.760) 5.797 7.877 ( 9.254 10.494 0.838) 14.017 9.399 ( -13.400 -15.174 0.982) 20.268 10.982 ( -3.134 -5.278 -0.648) 6.173 11.779 ( 5.820 10.311 -21.279) 24.351 13.677 ( -14.938 -20.861 11.194) 27.993 15.530 ( -1.744 0.205 -8.892) 9.064 ======================= Grid point 21 (13/489) ======================= q-point: ( 0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 16.383 16.480 4.879) 23.745 2.165 ( 16.389 20.400 2.304) 26.269 3.323 ( 2.490 6.598 -2.183) 7.382 3.862 ( 32.086 29.454 2.406) 43.622 4.243 ( 17.650 13.293 0.779) 22.109 5.818 ( -5.406 -5.303 -2.075) 7.852 8.183 ( 12.185 12.575 0.860) 17.531 9.064 ( -10.590 -8.778 -0.348) 13.760 10.877 ( -3.488 -3.659 -0.231) 5.061 11.841 ( 1.610 1.579 -20.639) 20.762 13.236 ( -17.327 -20.163 17.899) 32.049 15.426 ( -5.096 -1.944 -10.320) 11.673 ======================= Grid point 22 (14/489) ======================= q-point: ( 0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 16.067 13.155 2.729) 20.944 2.629 ( 13.987 18.367 2.019) 23.174 3.426 ( 1.802 7.651 -2.496) 8.247 4.626 ( 23.959 20.372 1.771) 31.499 4.671 ( 19.284 11.673 -2.572) 22.688 5.653 ( -6.504 -5.709 0.518) 8.670 8.536 ( 12.835 12.994 0.591) 18.274 8.884 ( -2.972 -1.459 -2.775) 4.320 10.795 ( -3.155 -0.876 0.191) 3.280 11.726 ( -4.945 -5.686 -19.927) 21.304 12.791 ( -19.246 -18.840 21.646) 34.553 15.280 ( -4.523 -2.417 -10.634) 11.806 ======================= Grid point 23 (15/489) ======================= q-point: ( 0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( 14.412 9.146 1.943) 17.180 3.021 ( 10.028 16.991 1.712) 19.804 3.517 ( 0.479 8.152 -2.664) 8.589 4.997 ( 11.586 5.300 -2.636) 13.010 5.153 ( 13.535 10.257 -8.553) 19.015 5.554 ( 1.451 0.183 10.112) 10.218 8.839 ( 9.855 5.779 -1.298) 11.498 8.952 ( 7.181 11.372 -3.240) 13.834 10.754 ( -2.074 1.458 0.576) 2.600 11.456 ( -9.859 -9.592 -16.501) 21.482 12.316 ( -22.652 -17.058 18.804) 34.024 15.180 ( -0.514 -2.161 -8.182) 8.478 ======================= Grid point 24 (16/489) ======================= q-point: ( 0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.028 ( 11.603 5.263 1.561) 12.836 3.320 ( 5.166 15.383 1.442) 16.291 3.583 ( -1.340 8.090 -2.649) 8.618 5.032 ( -3.463 -3.424 -9.994) 11.117 5.367 ( 9.047 4.013 1.655) 10.034 5.787 ( 11.448 6.469 7.074) 14.932 9.082 ( 13.820 5.997 -3.015) 15.364 9.212 ( 6.993 13.971 -2.855) 15.882 10.747 ( -0.872 0.941 0.813) 1.519 11.116 ( -12.649 -10.688 -9.828) 19.257 11.806 ( -23.646 -11.823 11.376) 28.781 15.164 ( 3.188 -2.479 -4.450) 6.010 ======================= Grid point 25 (17/489) ======================= q-point: ( 0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.232 ( 7.342 1.631 0.494) 7.537 3.512 ( 0.163 12.895 1.207) 12.953 3.613 ( -3.421 7.748 -2.240) 8.761 4.898 ( -3.740 -2.653 -5.488) 7.151 5.532 ( 6.096 0.748 0.926) 6.211 6.014 ( 6.806 2.618 3.899) 8.269 9.339 ( 3.521 9.805 -0.101) 10.418 9.501 ( 17.141 9.297 -5.933) 20.383 10.699 ( -12.016 -9.348 2.565) 15.438 10.761 ( -5.430 -5.364 -2.918) 8.171 11.418 ( -15.334 0.448 3.188) 15.669 15.193 ( 4.227 -3.585 -1.393) 5.715 ======================= Grid point 26 (18/489) ======================= q-point: (-0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.302 ( 1.055 -2.409 -1.728) 3.146 3.580 ( -6.085 9.053 -0.658) 10.928 3.620 ( -3.636 8.340 0.502) 9.112 4.850 ( 1.117 0.503 -0.924) 1.535 5.587 ( 1.210 -2.689 -0.851) 3.068 6.090 ( 0.132 -1.621 2.409) 2.907 9.412 ( -4.864 8.432 -0.230) 9.738 9.807 ( 6.357 -5.120 -1.653) 8.328 10.385 ( -3.739 2.172 0.468) 4.350 10.733 ( 2.914 -4.431 0.262) 5.310 11.300 ( -5.723 9.188 0.090) 10.825 15.216 ( 3.161 -4.751 0.813) 5.764 ======================= Grid point 27 (19/489) ======================= q-point: (-0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.214 ( -5.122 -5.709 -3.198) 8.310 3.499 ( -11.311 6.345 -1.502) 13.056 3.634 ( -4.823 7.195 2.043) 8.899 4.940 ( 6.380 2.984 3.182) 7.729 5.515 ( -3.994 -5.487 -2.561) 7.254 6.000 ( -7.267 -5.186 0.989) 8.982 9.339 ( -9.697 1.596 -0.124) 9.828 9.553 ( -16.156 -9.941 4.930) 19.600 10.670 ( 15.090 5.409 -3.564) 16.421 10.785 ( 8.580 4.389 1.905) 9.824 11.391 ( 5.004 11.779 -2.350) 13.012 15.214 ( 1.784 -4.947 2.974) 6.042 ======================= Grid point 28 (20/489) ======================= q-point: (-0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.005 ( -10.024 -7.450 -3.068) 12.861 3.307 ( -15.942 3.264 -1.341) 16.328 3.606 ( -6.375 5.465 2.175) 8.674 5.118 ( 6.767 2.269 7.857) 10.615 5.339 ( -6.735 -5.980 -4.498) 10.067 5.743 ( -14.632 -7.815 -1.763) 16.682 9.107 ( -11.622 -8.066 2.183) 14.314 9.244 ( -15.910 -0.595 3.654) 16.335 10.739 ( -0.306 1.300 -0.803) 1.559 11.199 ( 19.799 8.037 6.995) 22.484 11.695 ( 17.645 12.457 -11.368) 24.408 15.213 ( 1.761 -3.377 5.651) 6.815 ======================= Grid point 29 (21/489) ======================= q-point: (-0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( -14.846 -8.001 -2.148) 17.001 3.008 ( -19.810 -0.276 -1.036) 19.839 3.540 ( -7.332 3.775 2.023) 8.491 5.005 ( -13.447 -8.435 -0.159) 15.874 5.248 ( -18.744 -8.720 9.975) 22.953 5.460 ( 5.021 1.775 -9.003) 10.460 8.851 ( -11.794 -5.976 1.179) 13.274 8.986 ( -12.055 -1.197 3.868) 12.717 10.748 ( -0.108 2.598 -0.681) 2.688 11.611 ( 15.458 5.131 16.050) 22.866 12.124 ( 23.750 10.406 -21.487) 33.675 15.259 ( 3.454 -0.367 8.154) 8.863 ======================= Grid point 30 (22/489) ======================= q-point: (-0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -19.646 -7.745 -1.230) 21.154 2.616 ( -22.969 -3.213 -0.760) 23.205 3.446 ( -7.517 2.213 1.753) 8.030 4.608 ( -26.469 -10.022 -1.160) 28.327 4.691 ( -25.126 -12.003 0.790) 27.857 5.650 ( 9.877 3.381 -0.002) 10.439 8.532 ( -17.733 -5.032 -0.153) 18.434 8.913 ( 1.858 1.173 3.088) 3.790 10.792 ( 2.518 2.401 -0.430) 3.506 11.903 ( 7.546 1.682 16.703) 18.406 12.584 ( 26.742 8.557 -21.209) 35.188 15.372 ( 5.093 2.119 8.674) 10.279 ======================= Grid point 31 (23/489) ======================= q-point: (-0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -23.468 -6.946 -0.939) 24.492 2.152 ( -25.910 -4.464 -0.390) 26.295 3.340 ( -6.925 0.932 1.356) 7.118 3.842 ( -42.667 -13.161 -1.390) 44.673 4.235 ( -20.468 -8.259 -1.018) 22.095 5.832 ( 7.640 2.123 0.824) 7.972 8.177 ( -17.063 -4.410 -0.447) 17.629 9.070 ( 11.922 4.212 0.890) 12.676 10.877 ( 5.074 1.368 -0.117) 5.256 12.002 ( -1.525 -0.966 12.025) 12.159 13.085 ( 28.042 7.159 -12.940) 31.703 15.507 ( 4.356 2.320 6.562) 8.211 ======================= Grid point 32 (24/489) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -25.704 -5.175 -1.071) 26.241 1.637 ( -28.775 -3.517 0.023) 28.989 2.913 ( -49.802 -10.372 -1.864) 50.904 3.239 ( -5.624 0.120 0.790) 5.681 3.804 ( -20.809 -5.074 -0.572) 21.426 5.959 ( 5.177 0.918 0.321) 5.268 7.871 ( -13.769 -2.593 -0.434) 14.018 9.391 ( 19.529 4.336 -0.551) 20.013 10.986 ( 6.247 0.270 0.104) 6.253 11.923 ( -9.560 -1.391 7.914) 12.488 13.596 ( 26.978 4.633 -5.242) 27.871 15.589 ( 1.091 0.813 3.243) 3.517 ======================= Grid point 33 (25/489) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -26.365 -0.000 0.000) 26.365 1.099 ( -30.927 -0.000 0.000) 30.927 1.942 ( -54.510 -0.000 0.000) 54.510 3.158 ( -3.796 -0.000 0.000) 3.796 3.438 ( -17.666 -0.000 0.000) 17.666 6.035 ( 3.093 0.000 -0.000) 3.093 7.656 ( -9.374 -0.000 0.000) 9.374 9.797 ( 23.803 0.000 -0.000) 23.803 11.091 ( 5.549 0.000 -0.000) 5.549 11.704 ( -16.028 -0.000 0.000) 16.028 14.051 ( 23.069 0.000 -0.000) 23.069 15.581 ( -2.629 -0.000 0.000) 2.629 ======================= Grid point 36 (26/489) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 0.000 23.547 16.381) 28.685 1.299 ( -0.000 28.502 6.912) 29.328 2.257 ( -0.000 52.971 4.981) 53.204 3.173 ( -0.000 3.905 -0.712) 3.969 3.524 ( -0.000 19.403 -1.742) 19.481 6.009 ( 0.000 -4.554 -0.991) 4.661 7.705 ( -0.000 10.699 -0.020) 10.699 9.624 ( 0.000 -19.545 -3.701) 19.893 11.072 ( 0.000 -5.607 -0.405) 5.621 11.677 ( -0.000 17.476 -20.506) 26.943 13.942 ( 0.000 -25.308 5.503) 25.899 15.524 ( -0.000 4.977 -9.940) 11.116 ======================= Grid point 37 (27/489) ======================= q-point: ( 0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 5.292 22.739 13.036) 26.739 1.690 ( 9.573 26.103 5.306) 28.305 2.940 ( 16.569 47.081 4.360) 50.102 3.236 ( 2.345 5.228 -1.146) 5.843 3.784 ( 7.096 19.917 -1.372) 21.188 5.940 ( -1.708 -5.261 -2.348) 6.009 7.872 ( 5.198 13.198 0.485) 14.193 9.390 ( -4.914 -17.578 0.597) 18.262 10.978 ( -3.032 -5.597 -0.903) 6.429 11.770 ( 1.034 11.402 -21.756) 24.585 13.648 ( -5.959 -26.606 9.489) 28.869 15.532 ( -0.660 1.840 -8.533) 8.754 ======================= Grid point 38 (28/489) ======================= q-point: ( 0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 9.350 19.943 8.529) 23.619 2.151 ( 12.713 23.956 4.030) 27.418 3.344 ( 3.329 7.397 -1.788) 8.307 3.728 ( 22.453 38.241 2.224) 44.401 4.134 ( 11.749 17.135 -0.150) 20.777 5.830 ( -3.484 -6.052 -2.622) 7.459 8.144 ( 9.104 15.462 1.210) 17.984 9.127 ( -7.959 -11.654 0.973) 14.146 10.880 ( -1.940 -4.233 -0.975) 4.758 11.783 ( -0.175 2.879 -22.206) 22.392 13.288 ( -9.465 -25.750 15.055) 31.294 15.466 ( -4.406 -0.884 -8.877) 9.950 ======================= Grid point 39 (29/489) ======================= q-point: ( 0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 11.241 15.877 4.861) 20.051 2.618 ( 12.703 22.607 3.368) 26.150 3.477 ( 2.575 9.947 -2.386) 10.549 4.443 ( 21.189 24.630 -4.595) 32.814 4.520 ( 14.441 16.416 3.988) 22.224 5.689 ( -4.738 -6.224 -0.639) 7.848 8.485 ( 10.638 16.285 1.829) 19.538 8.927 ( -5.183 -3.568 -1.141) 6.396 10.826 ( -1.030 -0.948 -0.508) 1.489 11.671 ( -3.295 -5.433 -21.646) 22.559 12.911 ( -11.853 -23.867 19.106) 32.790 15.320 ( -6.477 -2.279 -9.552) 11.764 ======================= Grid point 40 (30/489) ======================= q-point: ( 0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 11.613 11.371 2.813) 16.495 3.051 ( 10.370 21.593 2.636) 24.099 3.608 ( 0.647 12.198 -2.983) 12.574 4.824 ( 13.264 6.144 -4.171) 15.201 5.018 ( 14.397 17.123 -3.124) 22.588 5.575 ( -1.917 -2.639 6.084) 6.903 8.764 ( 5.223 5.758 0.417) 7.785 8.956 ( 6.292 13.901 -1.737) 15.357 10.817 ( -1.482 3.184 -0.085) 3.513 11.435 ( -6.481 -10.783 -18.981) 22.772 12.515 ( -15.141 -21.289 18.489) 32.005 15.165 ( -4.289 -3.132 -8.532) 10.050 ======================= Grid point 41 (31/489) ======================= q-point: ( 0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( 10.653 7.102 1.677) 12.913 3.413 ( 6.208 20.252 1.954) 21.272 3.717 ( -1.944 13.710 -3.384) 14.255 4.979 ( 3.093 -1.545 -10.279) 10.845 5.270 ( 6.894 4.352 0.918) 8.204 5.695 ( 8.826 5.898 8.645) 13.690 8.918 ( 9.549 5.027 -2.371) 11.048 9.259 ( 6.840 18.415 -0.551) 19.652 10.817 ( -3.688 4.268 -0.393) 5.655 11.143 ( -7.625 -11.534 -13.174) 19.098 12.082 ( -18.483 -15.928 13.265) 27.772 15.072 ( 0.653 -4.555 -5.593) 7.243 ======================= Grid point 42 (32/489) ======================= q-point: ( 0.47 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( 8.245 3.123 0.354) 8.824 3.672 ( 0.861 18.145 1.545) 18.231 3.790 ( -4.755 14.445 -3.220) 15.545 4.907 ( -2.646 -2.741 -7.919) 8.788 5.425 ( 6.932 0.178 2.457) 7.357 5.921 ( 8.274 2.628 5.419) 10.234 9.190 ( 15.670 6.526 -2.694) 17.187 9.515 ( 2.163 16.829 -1.295) 17.017 10.739 ( -4.658 -3.700 -3.496) 6.900 10.872 ( -11.352 -6.547 -2.210) 13.289 11.700 ( -15.671 -3.934 5.925) 17.210 15.053 ( 4.614 -6.585 -2.349) 8.376 ======================= Grid point 43 (33/489) ======================= q-point: ( 0.53 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.236 ( 3.760 -0.841 -1.745) 4.230 3.808 ( -4.882 13.351 -0.523) 14.226 3.826 ( -6.953 16.632 -0.237) 18.028 4.840 ( -0.545 -0.031 -3.824) 3.863 5.507 ( 3.798 -3.561 0.209) 5.211 6.047 ( 3.960 -2.028 4.267) 6.164 9.531 ( 15.233 5.373 -1.061) 16.188 9.633 ( -3.771 9.212 -2.981) 10.390 10.585 ( -14.058 -0.274 1.794) 14.175 10.636 ( 0.308 -6.103 -1.021) 6.195 11.526 ( -8.907 7.485 0.660) 11.653 15.070 ( 5.956 -8.219 0.195) 10.152 ======================= Grid point 44 (34/489) ======================= q-point: (-0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.217 ( -2.044 -3.947 -3.518) 5.668 3.781 ( -10.828 11.411 -2.113) 15.872 3.866 ( -8.278 14.757 2.603) 17.119 4.876 ( 4.211 2.266 -0.383) 4.797 5.483 ( -0.369 -6.653 -2.116) 6.991 6.040 ( -2.149 -5.135 3.572) 6.613 9.519 ( -10.450 -5.119 -1.570) 11.742 9.695 ( -3.404 2.796 2.548) 5.089 10.541 ( 4.658 12.193 -2.273) 13.249 10.672 ( 7.365 -1.369 2.176) 7.801 11.500 ( -4.196 9.741 -1.831) 10.763 15.091 ( 5.607 -8.344 2.265) 10.305 ======================= Grid point 45 (35/489) ======================= q-point: (-0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( -7.002 -5.313 -3.673) 9.526 3.643 ( -15.936 8.236 -1.757) 18.024 3.848 ( -10.387 12.267 2.816) 16.319 5.020 ( 8.503 2.857 2.734) 9.378 5.354 ( -4.467 -8.226 -4.157) 10.242 5.890 ( -9.695 -6.552 2.432) 11.952 9.231 ( -12.026 -9.858 1.540) 15.626 9.552 ( -15.614 3.801 2.372) 16.244 10.756 ( 2.635 7.889 -1.074) 8.387 10.933 ( 19.924 6.423 2.594) 21.093 11.578 ( 5.067 8.057 -5.793) 11.142 15.119 ( 5.292 -6.318 4.252) 9.274 ======================= Grid point 46 (36/489) ======================= q-point: (-0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( -11.281 -5.383 -2.709) 12.790 3.384 ( -20.702 4.547 -1.140) 21.226 3.772 ( -11.451 8.955 2.261) 14.711 5.114 ( -7.921 -7.832 2.478) 11.411 5.256 ( 9.610 1.840 -1.672) 9.926 5.587 ( -18.139 -6.712 -0.213) 19.342 8.963 ( -9.361 -6.908 2.334) 11.866 9.283 ( -18.759 1.532 1.785) 18.906 10.813 ( -2.822 6.249 -0.618) 6.885 11.382 ( 21.631 4.972 10.310) 24.472 11.798 ( 15.509 5.576 -14.851) 22.185 15.186 ( 5.964 -2.721 5.771) 8.734 ======================= Grid point 47 (37/489) ======================= q-point: (-0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( -15.845 -4.538 -1.419) 16.543 3.020 ( -24.260 1.361 -0.629) 24.306 3.652 ( -11.225 5.318 1.496) 12.511 4.836 ( -14.037 -7.148 -1.055) 15.787 5.105 ( -28.364 -7.133 2.501) 29.354 5.489 ( 11.676 2.390 -1.399) 12.000 8.765 ( -10.934 -3.136 0.688) 11.395 8.997 ( -12.440 -0.026 2.175) 12.628 10.812 ( -1.994 3.553 -0.576) 4.114 11.790 ( 14.139 2.094 17.483) 22.582 12.126 ( 24.625 4.010 -21.396) 32.867 15.306 ( 6.889 0.378 5.683) 8.938 ======================= Grid point 48 (38/489) ======================= q-point: (-0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( -20.785 -2.838 -0.451) 20.983 2.582 ( -26.335 -0.389 -0.284) 26.339 3.507 ( -9.975 2.076 0.748) 10.216 4.451 ( -34.778 -4.365 -0.197) 35.051 4.512 ( -21.549 -5.090 -0.353) 22.145 5.697 ( 10.107 1.134 0.198) 10.173 8.465 ( -19.075 -1.653 -0.169) 19.147 8.951 ( 4.356 0.849 1.191) 4.595 10.828 ( 1.534 1.146 -0.252) 1.931 11.997 ( 4.938 -0.054 7.586) 9.052 12.594 ( 29.791 2.804 -9.349) 31.349 15.449 ( 6.446 1.147 3.450) 7.401 ======================= Grid point 49 (39/489) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -24.784 -0.000 0.000) 24.784 2.111 ( -27.656 -0.000 0.000) 27.656 3.361 ( -8.008 -0.000 0.000) 8.008 3.699 ( -45.951 -0.000 0.000) 45.951 4.142 ( -20.749 -0.000 0.000) 20.749 5.855 ( 7.552 0.000 -0.000) 7.552 8.131 ( -17.672 -0.000 0.000) 17.672 9.119 ( 13.540 0.000 -0.000) 13.540 10.889 ( 4.761 0.000 -0.000) 4.761 12.030 ( -2.188 -0.000 0.000) 2.188 13.114 ( 29.695 0.000 -0.000) 29.695 15.555 ( 4.133 0.000 -0.000) 4.133 ======================= Grid point 54 (40/489) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 0.000 22.031 12.862) 25.510 1.880 ( -0.000 25.542 5.398) 26.106 3.256 ( -0.000 4.883 -1.254) 5.041 3.305 ( -0.000 48.707 3.811) 48.856 3.935 ( -0.000 22.157 -1.927) 22.241 5.890 ( -0.000 -5.980 -2.923) 6.656 7.970 ( -0.000 15.560 0.319) 15.563 9.266 ( 0.000 -15.035 1.959) 15.162 10.945 ( 0.000 -6.517 -0.615) 6.546 11.789 ( -0.000 6.888 -23.707) 24.687 13.447 ( 0.000 -28.741 10.939) 30.752 15.533 ( -0.000 1.563 -7.367) 7.531 ======================= Grid point 55 (41/489) ======================= q-point: ( 0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 3.315 20.103 9.933) 22.666 2.217 ( 8.268 23.425 4.517) 25.248 3.338 ( 3.828 5.832 -1.569) 7.150 3.867 ( 9.517 42.564 1.180) 43.631 4.188 ( 4.396 21.094 -0.563) 21.555 5.804 ( -1.705 -6.452 -2.714) 7.205 8.185 ( 5.413 17.409 0.901) 18.253 9.116 ( -3.332 -10.303 2.542) 11.123 10.861 ( -1.637 -5.312 -1.003) 5.648 11.740 ( -0.881 -0.130 -24.808) 24.824 13.169 ( -3.436 -28.269 14.396) 31.909 15.498 ( -2.690 -0.123 -6.919) 7.424 ======================= Grid point 56 (42/489) ======================= q-point: ( 0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 5.792 16.478 6.371) 18.592 2.640 ( 12.187 22.065 3.933) 25.512 3.489 ( 5.936 8.158 -1.953) 10.276 4.387 ( 10.030 22.265 -7.700) 25.605 4.540 ( 10.078 27.392 5.775) 29.753 5.692 ( -3.032 -5.963 -0.687) 6.724 8.497 ( 8.816 18.288 2.173) 20.418 8.977 ( -4.591 -3.429 0.809) 5.787 10.806 ( 0.689 -2.291 -1.209) 2.681 11.595 ( -2.820 -7.001 -23.654) 24.829 12.863 ( -5.941 -26.722 17.004) 32.226 15.388 ( -6.336 -1.610 -7.302) 9.801 ======================= Grid point 57 (43/489) ======================= q-point: ( 0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 7.525 12.224 3.707) 14.825 3.083 ( 12.271 21.126 3.290) 24.652 3.680 ( 5.027 11.795 -2.721) 13.107 4.670 ( 9.736 8.391 -7.109) 14.687 4.998 ( 9.556 21.332 0.617) 23.383 5.602 ( -2.033 -1.945 4.462) 5.275 8.775 ( 2.068 7.746 2.347) 8.354 8.991 ( 5.577 13.939 -0.546) 15.023 10.835 ( 2.820 2.342 -1.058) 3.816 11.359 ( -5.146 -11.728 -20.796) 24.423 12.537 ( -8.277 -24.772 16.929) 31.125 15.216 ( -7.713 -2.772 -7.341) 11.003 ======================= Grid point 58 (44/489) ======================= q-point: ( 0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 8.199 8.037 1.940) 11.644 3.490 ( 9.679 19.953 2.584) 22.327 3.867 ( 1.598 15.662 -3.727) 16.178 4.843 ( 7.455 0.250 -8.950) 11.651 5.235 ( 3.186 5.793 0.678) 6.646 5.669 ( 4.195 6.688 7.718) 11.041 8.854 ( 3.251 5.708 -0.665) 6.603 9.321 ( 8.416 19.689 1.488) 21.464 10.919 ( -0.149 7.210 -1.572) 7.381 11.075 ( -4.855 -13.465 -15.934) 21.418 12.191 ( -10.665 -21.006 13.817) 27.311 15.043 ( -5.098 -4.526 -6.056) 9.119 ======================= Grid point 59 (45/489) ======================= q-point: ( 0.47 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.020 ( 7.504 4.100 0.365) 8.559 3.818 ( 4.946 18.453 1.867) 19.196 4.014 ( -2.661 17.893 -3.915) 18.508 4.872 ( 1.309 -1.860 -8.960) 9.244 5.330 ( 4.703 -0.230 4.521) 6.528 5.839 ( 5.654 3.462 5.239) 8.450 9.030 ( 9.637 7.539 -1.485) 12.325 9.631 ( 4.743 17.321 1.559) 18.026 10.755 ( -7.239 -10.600 -11.101) 16.970 11.004 ( -4.412 6.045 -0.277) 7.489 11.872 ( -9.846 -11.478 8.218) 17.211 14.924 ( 0.098 -7.281 -3.653) 8.146 ======================= Grid point 60 (46/489) ======================= q-point: ( 0.53 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.152 ( 5.024 0.484 -1.452) 5.252 4.025 ( -2.125 16.584 -0.206) 16.721 4.113 ( -5.254 18.048 -1.025) 18.825 4.842 ( -0.680 1.048 -6.054) 6.182 5.404 ( 4.033 -3.771 2.709) 6.151 5.950 ( 5.160 -3.088 4.435) 7.472 9.306 ( 13.581 6.378 -1.789) 15.110 9.811 ( -2.018 11.332 0.661) 11.529 10.540 ( -1.457 -9.406 -5.488) 10.987 10.895 ( -14.409 6.520 2.047) 15.947 11.713 ( -5.624 2.076 1.863) 6.278 14.875 ( 4.865 -9.828 -1.071) 11.018 ======================= Grid point 61 (47/489) ======================= q-point: (-0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.186 ( 0.740 -2.294 -2.988) 3.839 4.075 ( -8.922 14.397 -2.324) 17.096 4.186 ( -7.465 17.066 2.974) 18.864 4.849 ( 1.053 3.232 -3.524) 4.896 5.398 ( 1.083 -7.058 -0.537) 7.161 5.986 ( 3.013 -6.740 4.454) 8.622 9.508 ( 3.235 -3.837 -1.984) 5.397 9.816 ( -3.739 7.470 0.538) 8.371 10.509 ( 6.396 -5.221 -0.064) 8.257 10.765 ( -10.493 15.354 1.538) 18.661 11.669 ( -5.690 6.077 -1.800) 8.518 14.883 ( 7.548 -10.319 1.116) 12.834 ======================= Grid point 62 (48/489) ======================= q-point: (-0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( -3.912 -3.465 -3.267) 6.163 3.992 ( -14.303 10.480 -2.090) 17.854 4.201 ( -11.403 15.670 3.928) 19.774 4.926 ( 5.205 3.111 -1.561) 6.262 5.304 ( -1.485 -9.405 -2.579) 9.865 5.941 ( -2.277 -6.720 3.770) 8.035 9.332 ( -10.356 -8.878 0.066) 13.641 9.813 ( -8.013 3.994 0.793) 8.988 10.672 ( 15.517 1.818 1.086) 15.661 10.859 ( -1.138 17.482 1.374) 17.573 11.614 ( -3.944 2.621 -4.383) 6.453 14.936 ( 8.519 -8.021 2.711) 12.011 ======================= Grid point 63 (49/489) ======================= q-point: (-0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( -7.968 -3.182 -2.384) 8.905 3.779 ( -19.012 5.762 -1.309) 19.909 4.119 ( -15.085 11.596 2.918) 19.249 5.080 ( 9.473 1.750 1.315) 9.723 5.154 ( -3.990 -8.285 -3.988) 10.023 5.786 ( -10.364 -4.880 2.249) 11.674 9.070 ( -10.294 -6.282 1.234) 12.122 9.620 ( -16.579 1.629 0.786) 16.677 10.971 ( -3.443 11.661 -1.534) 12.255 11.059 ( 21.194 4.688 6.252) 22.589 11.605 ( 5.776 -1.050 -7.638) 9.634 15.036 ( 8.882 -4.087 3.358) 10.338 ======================= Grid point 64 (50/489) ======================= q-point: (-0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( -11.872 -1.967 -1.072) 12.081 3.449 ( -23.011 2.025 -0.496) 23.106 3.942 ( -15.345 5.214 1.231) 16.253 4.969 ( -8.643 -4.804 -0.810) 9.921 5.291 ( 12.139 0.970 0.488) 12.187 5.490 ( -20.137 -2.649 0.178) 20.311 8.877 ( -7.374 -2.562 0.924) 7.861 9.310 ( -19.894 0.443 0.540) 19.907 10.934 ( -7.490 4.367 -0.294) 8.675 11.534 ( 24.797 3.065 11.390) 27.460 11.740 ( 13.536 -1.030 -13.308) 19.010 15.178 ( 8.984 -0.858 2.503) 9.365 ======================= Grid point 65 (51/489) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( -16.203 -0.000 0.000) 16.203 3.034 ( -25.633 -0.000 0.000) 25.633 3.720 ( -13.002 -0.000 0.000) 13.002 4.751 ( -13.698 -0.000 0.000) 13.698 5.038 ( -30.193 -0.000 0.000) 30.193 5.510 ( 12.012 0.000 -0.000) 12.012 8.736 ( -10.531 -0.000 0.000) 10.531 9.004 ( -12.268 -0.000 0.000) 12.268 10.852 ( -3.533 -0.000 0.000) 3.533 11.886 ( 9.267 0.000 -0.000) 9.267 12.072 ( 29.672 0.000 -0.000) 29.672 15.331 ( 8.258 0.000 -0.000) 8.258 ======================= Grid point 72 (52/489) ======================= q-point: ( 0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 0.000 18.250 8.707) 20.221 2.380 ( -0.000 21.575 3.886) 21.923 3.347 ( -0.000 5.048 -1.860) 5.379 4.196 ( -0.000 36.107 -4.427) 36.378 4.385 ( -0.000 25.722 3.534) 25.963 5.747 ( 0.000 -6.183 -1.880) 6.463 8.317 ( -0.000 18.372 0.536) 18.379 9.071 ( 0.000 -5.950 3.564) 6.936 10.818 ( 0.000 -5.488 -0.610) 5.521 11.634 ( -0.000 -6.057 -27.056) 27.726 12.961 ( 0.000 -27.935 15.458) 31.927 15.504 ( -0.000 -0.117 -5.457) 5.459 ======================= Grid point 73 (53/489) ======================= q-point: ( 0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( 1.846 15.097 6.101) 16.387 2.674 ( 8.518 19.634 3.330) 21.660 3.442 ( 5.647 5.640 -2.017) 8.232 4.468 ( 2.458 19.091 -10.091) 21.733 4.741 ( 4.005 31.938 6.368) 32.812 5.677 ( -1.394 -4.173 0.604) 4.441 8.557 ( 5.956 18.593 1.164) 19.558 9.024 ( -2.639 -0.541 2.482) 3.663 10.765 ( 0.128 -3.394 -0.807) 3.491 11.457 ( -0.568 -11.350 -25.535) 27.950 12.716 ( -2.491 -26.800 15.806) 31.214 15.450 ( -4.086 -0.704 -5.024) 6.515 ======================= Grid point 74 (54/489) ======================= q-point: ( 0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( 3.687 11.345 3.636) 12.471 3.065 ( 13.077 17.979 2.820) 22.410 3.638 ( 9.672 7.963 -2.192) 12.719 4.626 ( 3.205 9.718 -10.274) 14.501 5.109 ( 3.752 21.788 2.577) 22.258 5.645 ( -1.257 2.464 4.980) 5.696 8.845 ( 3.230 12.404 3.013) 13.167 9.036 ( 3.048 10.838 -0.360) 11.265 10.775 ( 3.896 -0.198 -1.175) 4.075 11.233 ( -2.099 -13.643 -21.450) 25.508 12.441 ( -4.561 -25.645 14.725) 29.921 15.316 ( -8.095 -1.524 -5.152) 9.715 ======================= Grid point 75 (55/489) ======================= q-point: ( 0.41 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( 5.258 7.699 1.790) 9.494 3.478 ( 13.462 16.162 2.303) 21.160 3.906 ( 9.771 12.486 -2.960) 16.128 4.713 ( 4.278 1.542 -9.682) 10.697 5.279 ( -0.422 6.585 2.046) 6.908 5.737 ( 0.727 11.050 6.563) 12.872 8.911 ( -1.847 7.579 0.441) 7.813 9.358 ( 10.539 18.733 1.854) 21.574 10.880 ( 6.895 -0.832 -4.123) 8.077 10.992 ( -3.575 -8.453 -14.537) 17.192 12.145 ( -5.951 -23.581 12.554) 27.370 15.120 ( -9.696 -2.862 -5.016) 11.285 ======================= Grid point 76 (56/489) ======================= q-point: ( 0.47 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( 5.819 4.272 0.292) 7.225 3.854 ( 11.199 14.789 1.672) 18.626 4.172 ( 4.270 16.667 -3.900) 17.642 4.763 ( 5.597 -1.657 -8.115) 9.996 5.304 ( -0.412 -0.048 5.023) 5.040 5.860 ( -0.393 7.327 4.370) 8.540 9.003 ( 3.057 9.359 -0.391) 9.853 9.700 ( 7.293 15.721 2.957) 17.581 10.703 ( -5.022 -13.072 -12.810) 18.979 11.095 ( 4.713 10.267 -2.040) 11.479 11.868 ( -4.749 -18.319 9.560) 21.202 14.911 ( -7.555 -5.295 -4.096) 10.094 ======================= Grid point 77 (57/489) ======================= q-point: ( 0.53 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( 4.989 1.264 -1.085) 5.259 4.161 ( 6.264 15.105 0.489) 16.360 4.333 ( -1.967 14.172 -2.412) 14.510 4.831 ( 3.228 3.939 -7.249) 8.859 5.319 ( 2.657 -4.077 5.941) 7.680 5.887 ( -0.918 -1.314 3.215) 3.593 9.196 ( 7.915 9.420 -0.481) 12.314 9.920 ( 1.938 9.320 2.876) 9.945 10.461 ( -4.086 -11.178 -8.388) 14.560 11.187 ( -7.279 11.050 -0.186) 13.234 11.739 ( 2.044 -5.742 4.239) 7.424 14.745 ( -2.122 -8.353 -2.391) 8.944 ======================= Grid point 78 (58/489) ======================= q-point: ( 0.59 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.132 ( 2.565 -0.932 -2.093) 3.440 4.337 ( -4.109 14.900 -3.030) 15.751 4.422 ( -1.128 11.310 3.439) 11.875 4.881 ( -0.680 5.918 -5.716) 8.256 5.333 ( 0.353 -3.404 2.139) 4.035 5.853 ( 2.914 -9.131 3.899) 10.348 9.414 ( 6.693 5.021 -0.823) 8.407 9.949 ( -5.181 2.968 0.829) 6.028 10.343 ( 4.442 -7.682 -2.456) 9.208 11.129 ( -11.515 14.120 1.930) 18.322 11.770 ( -0.432 2.417 -0.909) 2.618 14.668 ( 4.465 -9.735 -0.368) 10.717 ======================= Grid point 79 (59/489) ======================= q-point: (-0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.124 ( -0.998 -1.822 -2.187) 3.017 4.322 ( -11.378 10.720 -2.331) 15.805 4.503 ( -4.686 11.168 4.970) 13.092 4.916 ( 0.678 5.077 -4.124) 6.576 5.243 ( -4.504 -6.674 -1.414) 8.175 5.852 ( 5.123 -8.412 3.816) 10.563 9.417 ( -6.809 -3.571 -0.649) 7.716 9.921 ( -1.791 3.129 -0.070) 3.606 10.431 ( 12.159 -2.710 0.648) 12.474 11.133 ( -7.000 17.729 2.682) 19.249 11.711 ( -6.847 -0.575 -3.640) 7.776 14.703 ( 9.233 -7.548 1.108) 11.976 ======================= Grid point 80 (60/489) ======================= q-point: (-0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( -4.727 -1.366 -1.306) 5.091 4.142 ( -17.163 4.610 -1.005) 17.800 4.488 ( -11.933 8.642 3.423) 15.127 4.979 ( 2.924 4.148 -3.603) 6.224 5.100 ( -0.633 -8.961 -0.064) 8.984 5.848 ( -0.798 -3.509 1.821) 4.033 9.208 ( -10.997 -3.280 0.148) 11.477 9.856 ( -8.846 0.680 0.067) 8.873 10.708 ( 19.585 0.893 0.670) 19.617 11.235 ( -4.336 16.841 4.038) 17.853 11.527 ( -5.295 -8.241 -5.484) 11.227 14.831 ( 10.906 -3.307 1.286) 11.468 ======================= Grid point 81 (61/489) ======================= q-point: (-0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( -8.259 -0.000 0.000) 8.259 3.836 ( -20.320 -0.000 0.000) 20.320 4.266 ( -17.652 -0.000 0.000) 17.652 5.039 ( -2.744 -0.000 0.000) 2.744 5.102 ( 9.595 0.000 -0.000) 9.595 5.742 ( -10.230 -0.000 0.000) 10.230 9.010 ( -9.652 -0.000 0.000) 9.652 9.636 ( -16.514 -0.000 0.000) 16.514 11.060 ( 11.472 0.000 -0.000) 11.472 11.208 ( 0.134 0.000 -0.000) 0.134 11.518 ( 9.655 0.000 -0.000) 9.655 15.006 ( 10.491 0.000 -0.000) 10.491 ======================= Grid point 90 (62/489) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( -0.000 12.585 4.339) 13.312 2.786 ( -0.000 16.948 2.680) 17.158 3.430 ( -0.000 4.584 -2.334) 5.144 4.582 ( -0.000 13.717 -11.893) 18.155 5.037 ( -0.000 28.151 5.390) 28.662 5.675 ( 0.000 0.906 3.432) 3.549 8.684 ( -0.000 17.417 0.196) 17.418 9.071 ( 0.000 3.552 2.459) 4.320 10.733 ( 0.000 -2.424 -0.140) 2.428 11.242 ( -0.000 -15.361 -24.383) 28.818 12.521 ( 0.000 -26.052 14.186) 29.664 15.470 ( -0.000 -0.130 -3.609) 3.611 ======================= Grid point 91 (63/489) ======================= q-point: ( 0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( 0.964 9.286 2.315) 9.619 3.035 ( 9.139 14.651 2.116) 17.397 3.535 ( 7.565 4.992 -2.270) 9.344 4.651 ( 0.378 7.002 -12.430) 14.271 5.285 ( 0.084 16.214 3.318) 16.550 5.742 ( -0.411 10.991 6.459) 12.755 8.908 ( 5.837 15.052 0.938) 16.171 9.114 ( -1.034 8.157 -0.106) 8.223 10.722 ( 0.913 -0.699 -0.327) 1.196 11.023 ( 1.289 -15.753 -19.588) 25.169 12.287 ( -2.147 -25.267 11.973) 28.042 15.414 ( -5.264 -0.147 -3.157) 6.140 ======================= Grid point 92 (64/489) ======================= q-point: ( 0.41 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( 2.696 6.238 0.816) 6.845 3.380 ( 13.925 12.101 1.552) 18.513 3.777 ( 13.992 7.291 -2.121) 15.920 4.661 ( 0.523 1.389 -10.809) 10.910 5.380 ( -2.400 6.276 3.180) 7.434 5.897 ( -0.973 15.720 6.097) 16.889 9.049 ( -3.280 9.312 0.162) 9.874 9.333 ( 12.051 15.321 -0.285) 19.495 10.729 ( 2.801 -7.525 -6.199) 10.144 10.886 ( 3.191 -4.897 -8.898) 10.646 12.027 ( -3.524 -23.371 9.654) 25.531 15.266 ( -10.045 -0.799 -3.181) 10.567 ======================= Grid point 93 (65/489) ======================= q-point: ( 0.47 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( 4.017 3.594 -0.207) 5.394 3.747 ( 15.063 9.828 1.068) 18.017 4.130 ( 15.747 11.263 -2.385) 19.507 4.645 ( 2.045 -1.759 -7.768) 8.223 5.371 ( -4.200 1.752 4.036) 6.082 6.013 ( -4.011 11.359 4.066) 12.715 9.092 ( -1.633 10.051 -0.912) 10.223 9.697 ( 11.135 13.030 1.679) 17.222 10.602 ( -1.649 -10.576 -10.018) 14.661 11.010 ( 11.247 3.901 -2.038) 12.077 11.777 ( -3.600 -18.872 7.691) 20.694 15.042 ( -12.486 -2.269 -3.102) 13.064 ======================= Grid point 94 (66/489) ======================= q-point: ( 0.53 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.999 ( 4.295 1.406 -0.900) 4.608 4.099 ( 14.291 9.133 0.522) 16.968 4.437 ( 3.931 10.388 -2.637) 11.415 4.716 ( 11.617 2.543 -5.662) 13.171 5.304 ( -4.121 -3.142 5.360) 7.456 5.997 ( -8.025 4.242 2.375) 9.383 9.203 ( 3.015 10.252 -0.440) 10.695 9.943 ( 5.435 5.863 2.521) 8.382 10.421 ( -5.595 -7.471 -7.416) 11.921 11.281 ( 11.062 8.778 -3.183) 14.476 11.607 ( 0.797 -12.014 6.712) 13.785 14.789 ( -11.117 -4.475 -2.509) 12.243 ======================= Grid point 95 (67/489) ======================= q-point: ( 0.59 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( 3.387 -0.078 -1.231) 3.605 4.419 ( 11.044 10.222 -0.672) 15.063 4.495 ( -0.909 3.433 -0.098) 3.553 4.948 ( 1.453 10.365 -6.989) 12.586 5.258 ( 5.938 -5.346 6.463) 10.277 5.843 ( -10.206 -3.956 1.737) 11.082 9.377 ( 5.405 8.058 -0.018) 9.703 10.036 ( 0.481 1.322 2.561) 2.921 10.229 ( -4.124 -7.303 -4.876) 9.701 11.402 ( -5.503 9.158 0.309) 10.689 11.687 ( 11.192 -1.663 1.247) 11.383 14.583 ( -5.007 -6.003 -1.287) 7.922 ======================= Grid point 96 (68/489) ======================= q-point: (-0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( 1.331 -0.573 -0.958) 1.737 4.501 ( -1.571 3.168 -0.824) 3.630 4.671 ( 2.167 11.998 1.875) 12.335 4.884 ( -2.806 -5.325 -2.412) 6.484 5.395 ( -5.490 10.150 -1.590) 11.648 5.648 ( 3.527 -13.082 3.363) 13.961 9.482 ( -1.190 1.840 -0.195) 2.200 9.991 ( -4.738 1.459 0.103) 4.959 10.209 ( 9.113 -4.127 -0.502) 10.016 11.390 ( -5.696 8.320 1.682) 10.222 11.781 ( -1.059 -0.251 -1.526) 1.874 14.518 ( 4.082 -4.309 -0.056) 5.936 ======================= Grid point 97 (69/489) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.098 ( -1.539 -0.000 0.000) 1.539 4.428 ( -11.458 -0.000 0.000) 11.458 4.651 ( -4.639 -0.000 0.000) 4.639 4.945 ( 7.905 0.000 -0.000) 7.905 5.174 ( -16.117 -0.000 0.000) 16.117 5.762 ( 8.448 0.000 -0.000) 8.448 9.377 ( -9.636 -0.000 0.000) 9.636 9.950 ( -2.477 -0.000 0.000) 2.477 10.407 ( 15.291 0.000 -0.000) 15.291 11.377 ( -1.935 -0.000 0.000) 1.935 11.646 ( -11.825 -0.000 0.000) 11.825 14.627 ( 10.110 0.000 -0.000) 10.110 ======================= Grid point 108 (70/489) ======================= q-point: ( 0.35 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( -0.000 6.541 0.406) 6.554 3.088 ( -0.000 11.849 1.789) 11.984 3.499 ( -0.000 3.847 -2.384) 4.526 4.657 ( -0.000 2.596 -12.313) 12.584 5.424 ( -0.000 9.346 3.356) 9.930 5.914 ( 0.000 17.389 6.765) 18.659 8.986 ( -0.000 12.527 -0.629) 12.543 9.211 ( -0.000 9.138 -1.702) 9.296 10.727 ( 0.000 1.619 0.679) 1.756 10.784 ( -0.000 -16.084 -15.076) 22.045 12.089 ( 0.000 -24.709 9.090) 26.328 15.457 ( -0.000 0.626 -2.022) 2.117 ======================= Grid point 109 (71/489) ======================= q-point: ( 0.41 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( 0.927 4.079 -0.729) 4.246 3.282 ( 9.174 9.056 1.189) 12.946 3.613 ( 9.498 4.184 -1.982) 10.566 4.630 ( 0.004 -0.336 -10.051) 10.056 5.492 ( -2.042 5.706 3.126) 6.819 6.100 ( -1.113 16.557 5.540) 17.495 9.154 ( 4.093 9.594 -0.363) 10.437 9.299 ( 3.097 10.037 -4.452) 11.408 10.594 ( -0.208 -11.306 -7.320) 13.471 10.785 ( 3.195 1.313 -0.956) 3.584 11.862 ( -1.171 -22.719 6.502) 23.660 15.404 ( -6.309 0.602 -1.673) 6.555 ======================= Grid point 110 (72/489) ======================= q-point: ( 0.47 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( 2.530 2.307 -1.042) 3.579 3.568 ( 14.242 6.258 0.614) 15.568 3.897 ( 17.933 5.612 -1.409) 18.844 4.594 ( 0.108 -1.394 -6.876) 7.017 5.488 ( -4.591 3.094 2.798) 6.203 6.217 ( -4.002 11.880 3.766) 13.090 9.226 ( -2.878 8.567 -2.780) 9.455 9.572 ( 15.215 8.250 -1.639) 17.385 10.501 ( 1.070 -5.513 -4.081) 6.942 10.857 ( 5.406 -1.162 -0.373) 5.542 11.658 ( -0.810 -16.828 4.382) 17.408 15.242 ( -11.924 -0.110 -1.664) 12.040 ======================= Grid point 111 (73/489) ======================= q-point: ( 0.53 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.941 ( 3.509 1.012 -0.914) 3.765 3.892 ( 16.592 4.511 0.284) 17.197 4.306 ( 21.171 7.021 -1.004) 22.328 4.570 ( 1.376 -1.707 -4.134) 4.679 5.412 ( -7.180 0.337 2.597) 7.643 6.211 ( -8.483 6.217 2.059) 10.717 9.270 ( -0.039 7.809 -1.885) 8.034 9.856 ( 9.902 2.062 0.140) 10.115 10.463 ( -4.043 1.506 -3.017) 5.265 10.996 ( 17.139 -5.461 -0.363) 17.992 11.547 ( 0.081 -6.538 2.921) 7.161 14.992 ( -15.118 -1.219 -1.504) 15.241 ======================= Grid point 112 (74/489) ======================= q-point: ( 0.59 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( 3.586 0.188 -0.580) 3.638 4.224 ( 16.988 3.145 0.072) 17.277 4.526 ( -0.287 1.193 -0.806) 1.468 4.791 ( 23.025 4.887 -2.619) 23.683 5.263 ( -9.540 -2.662 2.693) 10.264 6.062 ( -13.369 1.321 0.803) 13.458 9.368 ( 3.760 5.282 -0.407) 6.497 9.969 ( 4.804 -1.862 0.485) 5.175 10.330 ( -10.370 -0.283 -1.717) 10.515 11.339 ( 23.422 -0.746 -1.275) 23.468 11.527 ( -0.611 0.042 2.306) 2.386 14.713 ( -13.937 -1.797 -0.876) 14.079 ======================= Grid point 113 (75/489) ======================= q-point: (-0.35 -0.65 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.063 ( 2.858 0.000 -0.000) 2.858 4.521 ( -0.355 -0.000 0.000) 0.355 4.527 ( 15.556 0.000 -0.000) 15.556 5.047 ( -12.888 -0.000 0.000) 12.888 5.220 ( 21.697 0.000 -0.000) 21.697 5.797 ( -17.206 -0.000 0.000) 17.206 9.470 ( 3.885 0.000 -0.000) 3.885 10.047 ( 6.201 0.000 -0.000) 6.201 10.135 ( -10.225 -0.000 0.000) 10.225 11.504 ( -3.044 -0.000 0.000) 3.044 11.675 ( 13.576 0.000 -0.000) 13.576 14.515 ( -6.439 -0.000 0.000) 6.439 ======================= Grid point 127 (76/489) ======================= q-point: ( 0.41 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( -0.000 2.030 -1.799) 2.713 3.280 ( -0.000 6.510 0.980) 6.583 3.555 ( -0.000 2.991 -1.735) 3.458 4.592 ( -0.000 -1.353 -7.777) 7.893 5.571 ( 0.000 4.484 2.433) 5.101 6.281 ( -0.000 13.819 4.401) 14.503 9.169 ( -0.000 6.462 -1.052) 6.547 9.358 ( -0.000 7.125 -7.292) 10.195 10.480 ( 0.000 -7.544 -2.594) 7.977 10.792 ( -0.000 3.647 1.054) 3.796 11.666 ( 0.000 -21.007 3.882) 21.363 15.466 ( -0.000 1.010 -0.908) 1.358 ======================= Grid point 128 (77/489) ======================= q-point: ( 0.47 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( 1.332 0.940 -1.584) 2.273 3.415 ( 8.820 3.915 0.456) 9.661 3.674 ( 11.025 2.728 -1.061) 11.407 4.560 ( 0.176 -1.300 -4.915) 5.087 5.591 ( -2.758 2.761 1.683) 4.249 6.391 ( -2.277 9.220 2.867) 9.920 9.297 ( 4.983 5.472 -1.084) 7.480 9.401 ( 5.061 3.217 -6.480) 8.829 10.441 ( 1.204 -1.247 1.016) 2.009 10.821 ( -0.834 0.624 0.503) 1.157 11.499 ( 1.569 -15.009 1.967) 15.218 15.411 ( -7.068 0.669 -0.675) 7.132 ======================= Grid point 129 (78/489) ======================= q-point: ( 0.53 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( 2.708 0.404 -0.755) 2.840 3.649 ( 14.467 1.856 0.126) 14.586 3.971 ( 20.132 2.145 -0.445) 20.250 4.542 ( 0.204 -0.717 -2.218) 2.340 5.541 ( -5.704 1.001 0.982) 5.874 6.396 ( -5.814 4.171 1.289) 7.271 9.334 ( -1.468 3.625 -2.351) 4.563 9.639 ( 16.024 0.678 -0.948) 16.066 10.521 ( 4.650 6.974 0.807) 8.421 10.751 ( -1.296 -8.809 -0.116) 8.904 11.458 ( 4.094 -4.740 0.870) 6.323 15.236 ( -13.108 0.062 -0.511) 13.118 ======================= Grid point 130 (79/489) ======================= q-point: (-0.41 -0.59 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 3.407 0.000 -0.000) 3.407 3.937 ( 17.243 0.000 -0.000) 17.243 4.378 ( 24.776 0.000 -0.000) 24.776 4.536 ( -0.161 -0.000 0.000) 0.161 5.422 ( -8.541 -0.000 0.000) 8.541 6.280 ( -10.109 -0.000 0.000) 10.109 9.347 ( 1.299 0.000 -0.000) 1.299 9.855 ( 8.404 0.000 -0.000) 8.404 10.517 ( -10.479 -0.000 0.000) 10.479 10.891 ( 23.774 0.000 -0.000) 23.774 11.508 ( 2.964 0.000 -0.000) 2.964 14.975 ( -16.218 -0.000 0.000) 16.218 ======================= Grid point 146 (80/489) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( -0.000 0.203 -1.122) 1.140 3.366 ( -0.000 1.905 0.259) 1.922 3.592 ( -0.000 1.270 -0.585) 1.398 4.535 ( -0.000 -0.773 -2.476) 2.593 5.641 ( 0.000 1.469 0.791) 1.669 6.489 ( -0.000 4.841 1.495) 5.066 9.243 ( -0.000 1.848 -0.503) 1.915 9.395 ( -0.000 1.440 -4.765) 4.977 10.436 ( 0.000 0.836 1.945) 2.117 10.857 ( -0.000 1.819 0.495) 1.885 11.351 ( 0.000 -9.905 0.533) 9.919 15.479 ( -0.000 0.489 -0.242) 0.545 ======================= Grid point 147 (81/489) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( 1.563 0.000 -0.000) 1.563 3.453 ( 8.686 0.000 -0.000) 8.686 3.699 ( 11.556 0.000 -0.000) 11.556 4.530 ( 0.272 0.000 -0.000) 0.272 5.624 ( -2.971 -0.000 0.000) 2.971 6.493 ( -2.683 -0.000 0.000) 2.683 9.370 ( 12.894 0.000 -0.000) 12.894 9.377 ( -1.654 -0.000 0.000) 1.654 10.468 ( 2.977 0.000 -0.000) 2.977 10.812 ( -5.818 -0.000 0.000) 5.818 11.347 ( 4.662 0.000 -0.000) 4.662 15.417 ( -7.348 -0.000 0.000) 7.348 ======================= Grid point 313 (82/489) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.236 ( 0.000 -0.000 24.574) 24.574 0.236 ( 0.000 -0.000 24.574) 24.574 0.473 ( 0.000 -0.000 49.461) 49.461 3.089 ( -0.000 0.000 -1.003) 1.003 3.089 ( -0.000 0.000 -1.003) 1.003 7.027 ( -0.000 0.000 -4.493) 4.493 7.496 ( 0.000 -0.000 0.391) 0.391 7.496 ( 0.000 -0.000 0.391) 0.391 11.196 ( -0.000 0.000 -0.297) 0.297 11.196 ( -0.000 0.000 -0.297) 0.297 14.525 ( 0.000 -0.000 0.919) 0.919 14.873 ( -0.000 0.000 -0.369) 0.369 ======================= Grid point 314 (83/489) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 24.001 13.857 8.836) 29.089 0.700 ( 15.856 9.154 24.935) 30.935 1.253 ( 44.247 25.546 16.196) 53.597 3.102 ( 1.605 0.926 -1.658) 2.487 3.219 ( 10.655 6.151 -0.708) 12.323 6.122 ( -7.221 -4.169 6.569) 10.615 7.556 ( 4.858 2.805 0.871) 5.677 9.884 ( 18.063 10.429 -42.711) 47.532 11.162 ( -2.777 -1.603 -0.409) 3.232 11.162 ( 11.164 6.446 -24.557) 27.735 14.377 ( -12.527 -7.233 3.983) 15.004 15.349 ( 14.464 8.351 -20.700) 26.598 ======================= Grid point 315 (84/489) ======================= q-point: ( 0.18 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 18.249 10.536 16.002) 26.459 1.261 ( 24.697 14.259 4.714) 28.905 2.327 ( 44.569 25.732 8.740) 52.201 3.150 ( 3.085 1.781 -2.197) 4.185 3.551 ( 17.521 10.116 0.152) 20.232 6.013 ( -4.376 -2.527 -1.049) 5.161 7.723 ( 9.290 5.364 1.101) 10.784 9.678 ( -17.945 -10.361 -0.372) 20.725 11.071 ( -4.741 -2.737 -0.450) 5.493 11.456 ( 17.557 10.137 -31.896) 37.793 14.033 ( -18.358 -10.599 9.740) 23.328 15.477 ( 2.641 1.525 -12.318) 12.690 ======================= Grid point 316 (85/489) ======================= q-point: ( 0.24 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 19.330 11.160 9.196) 24.141 1.826 ( 23.017 13.289 3.247) 26.775 3.226 ( 4.047 2.337 -2.575) 5.336 3.336 ( 40.695 23.495 4.764) 47.231 3.993 ( 20.054 11.578 1.106) 23.183 5.894 ( -5.467 -3.156 -2.945) 6.966 7.986 ( 13.012 7.512 0.978) 15.057 9.259 ( -16.881 -9.746 1.290) 19.535 10.951 ( -5.348 -3.088 -0.361) 6.186 11.685 ( 9.553 5.516 -25.746) 28.010 13.619 ( -20.779 -11.997 16.300) 29.007 15.425 ( -3.161 -1.825 -12.145) 12.681 ======================= Grid point 317 (86/489) ======================= q-point: ( 0.29 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 19.093 11.024 4.750) 22.553 2.333 ( 20.054 11.578 2.549) 23.297 3.316 ( 4.367 2.521 -2.783) 5.759 4.210 ( 33.962 19.608 0.925) 39.227 4.454 ( 19.017 10.979 1.380) 22.002 5.745 ( -6.566 -3.791 -1.915) 7.820 8.316 ( 15.149 8.746 0.529) 17.500 8.952 ( -9.170 -5.295 -1.116) 10.648 10.835 ( -4.418 -2.551 -0.103) 5.103 11.716 ( -0.372 -0.215 -22.069) 22.073 13.183 ( -22.328 -12.891 20.984) 33.242 15.288 ( -4.467 -2.579 -12.560) 13.578 ======================= Grid point 318 (87/489) ======================= q-point: ( 0.35 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 17.251 9.960 2.192) 20.041 2.760 ( 16.269 9.393 2.180) 18.912 3.405 ( 4.011 2.316 -2.837) 5.431 4.852 ( 14.656 8.462 -0.299) 16.926 4.878 ( 23.577 13.612 -4.989) 27.678 5.609 ( -4.066 -2.347 4.391) 6.428 8.667 ( 14.793 8.541 -0.115) 17.082 8.848 ( 0.875 0.505 -3.415) 3.561 10.756 ( -2.262 -1.306 0.314) 2.631 11.543 ( -8.249 -4.762 -18.766) 21.045 12.704 ( -25.335 -14.627 19.986) 35.430 15.177 ( -1.546 -0.892 -10.046) 10.204 ======================= Grid point 319 (88/489) ======================= q-point: ( 0.41 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( 13.865 8.005 0.680) 16.025 3.094 ( 12.119 6.997 1.980) 14.133 3.478 ( 3.002 1.733 -2.755) 4.427 5.030 ( 0.874 0.504 -11.571) 11.614 5.255 ( 11.904 6.873 -0.619) 13.760 5.695 ( 9.223 5.325 10.870) 15.217 8.968 ( 10.431 6.022 -4.948) 13.022 8.977 ( 11.794 6.809 -0.722) 13.638 10.735 ( 0.173 0.100 0.758) 0.784 11.253 ( -11.760 -6.789 -13.882) 19.419 12.140 ( -27.816 -16.059 14.240) 35.134 15.159 ( 1.863 1.076 -5.495) 5.901 ======================= Grid point 320 (89/489) ======================= q-point: ( 0.47 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.168 ( 9.158 5.287 -0.782) 10.604 3.331 ( 7.960 4.596 1.833) 9.373 3.521 ( 1.395 0.805 -2.519) 2.990 4.929 ( -4.270 -2.465 -8.824) 10.108 5.480 ( 7.530 4.347 0.565) 8.713 5.954 ( 8.686 5.015 7.392) 12.459 9.195 ( 7.265 4.194 -0.991) 8.447 9.280 ( 17.660 10.196 -5.826) 21.208 10.760 ( 1.396 0.806 0.973) 1.882 10.921 ( -14.789 -8.539 -6.630) 18.319 11.568 ( -22.791 -13.159 7.198) 27.284 15.207 ( 2.799 1.616 -1.676) 3.640 ======================= Grid point 321 (90/489) ======================= q-point: ( 0.53 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.306 ( 3.099 1.789 -2.732) 4.502 3.469 ( 3.060 1.767 0.871) 3.639 3.527 ( 0.214 0.124 -1.327) 1.350 4.842 ( -0.740 -0.427 -4.065) 4.153 5.596 ( 2.420 1.397 -0.842) 2.918 6.105 ( 2.356 1.360 5.420) 6.065 9.305 ( 2.593 1.497 -0.777) 3.093 9.708 ( 19.264 11.122 -6.238) 23.103 10.509 ( -18.450 -10.652 1.395) 21.350 10.789 ( 0.587 0.339 0.791) 1.042 11.231 ( -7.019 -4.052 1.346) 8.216 15.258 ( 1.525 0.880 0.757) 1.916 ======================= Grid point 322 (91/489) ======================= q-point: (-0.41 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( -3.418 -1.974 -4.293) 5.831 3.441 ( -3.951 -2.281 -1.733) 4.880 3.558 ( 1.031 0.595 1.596) 1.991 4.885 ( 4.967 2.868 0.052) 5.736 5.583 ( -3.176 -1.834 -2.193) 4.273 6.090 ( -5.007 -2.891 4.054) 7.061 9.311 ( -2.002 -1.156 -0.229) 2.323 9.788 ( -15.382 -8.881 1.737) 17.846 10.460 ( 18.794 10.851 -3.544) 21.989 10.784 ( -1.143 -0.660 0.304) 1.354 11.223 ( 5.261 3.038 0.639) 6.109 15.277 ( -0.270 -0.156 2.652) 2.671 ======================= Grid point 323 (92/489) ======================= q-point: (-0.35 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.132 ( -8.831 -5.099 -4.279) 11.059 3.300 ( -7.906 -4.564 -1.426) 9.239 3.562 ( -1.145 -0.661 1.661) 2.123 5.055 ( 8.774 5.066 3.175) 10.617 5.441 ( -8.128 -4.693 -3.461) 10.004 5.899 ( -12.522 -7.230 2.482) 14.671 9.208 ( -7.000 -4.041 0.324) 8.089 9.386 ( -17.310 -9.994 5.084) 20.625 10.747 ( -1.686 -0.973 -0.235) 1.961 10.981 ( 23.923 13.812 -2.250) 27.715 11.450 ( 14.204 8.201 -3.230) 16.716 15.273 ( -0.812 -0.469 4.890) 4.979 ======================= Grid point 324 (93/489) ======================= q-point: (-0.29 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( -13.343 -7.703 -2.948) 15.686 3.066 ( -12.103 -6.988 -0.942) 14.007 3.520 ( -2.812 -1.623 1.590) 3.615 5.163 ( -11.308 -6.528 2.382) 13.273 5.315 ( 8.164 4.714 0.339) 9.433 5.530 ( -19.424 -11.214 -1.316) 22.468 8.989 ( -11.990 -6.923 0.535) 13.856 9.070 ( -11.150 -6.438 5.463) 13.986 10.722 ( -0.094 -0.054 -0.535) 0.546 11.496 ( 19.153 11.058 9.754) 24.171 11.824 ( 20.342 11.744 -16.898) 28.935 15.288 ( 0.783 0.452 7.383) 7.438 ======================= Grid point 325 (94/489) ======================= q-point: (-0.24 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( -17.347 -10.015 -1.083) 20.059 2.736 ( -16.350 -9.440 -0.349) 18.883 3.447 ( -3.881 -2.240 1.465) 4.714 4.817 ( -18.059 -10.426 -0.631) 20.862 4.974 ( -27.178 -15.691 0.755) 31.391 5.558 ( 10.112 5.838 -0.158) 11.677 8.672 ( -15.277 -8.820 0.309) 17.643 8.924 ( -2.535 -1.464 4.386) 5.273 10.748 ( 2.552 1.473 -0.510) 2.990 11.884 ( 9.983 5.764 15.858) 19.605 12.276 ( 24.860 14.353 -23.495) 37.095 15.363 ( 3.384 1.954 8.611) 9.456 ======================= Grid point 326 (95/489) ======================= q-point: (-0.18 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -20.508 -11.840 0.766) 23.693 2.313 ( -20.279 -11.708 0.445) 23.421 3.355 ( -4.330 -2.500 1.240) 5.151 4.188 ( -35.858 -20.703 -0.081) 41.406 4.433 ( -19.744 -11.399 -1.973) 22.884 5.768 ( 7.891 4.556 0.421) 9.121 8.310 ( -15.636 -9.028 -0.121) 18.056 8.987 ( 6.952 4.013 2.353) 8.365 10.833 ( 4.709 2.719 -0.329) 5.448 12.046 ( 1.073 0.619 8.541) 8.630 12.813 ( 26.316 15.193 -13.948) 33.435 15.482 ( 4.284 2.473 7.051) 8.613 ======================= Grid point 327 (96/489) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -22.396 -12.930 2.796) 26.012 1.810 ( -23.493 -13.564 1.596) 27.174 3.260 ( -4.128 -2.383 0.869) 4.845 3.272 ( -42.750 -24.682 -1.003) 49.374 3.972 ( -19.641 -11.339 -1.549) 22.732 5.920 ( 5.325 3.074 -0.178) 6.151 7.971 ( -13.296 -7.676 -0.444) 15.359 9.248 ( 15.023 8.673 0.089) 17.347 10.953 ( 5.541 3.199 -0.174) 6.400 12.003 ( -6.230 -3.597 3.988) 8.226 13.379 ( 25.199 14.549 -5.875) 29.684 15.579 ( 2.176 1.256 3.076) 3.972 ======================= Grid point 328 (97/489) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -22.798 -13.163 6.873) 27.208 1.249 ( -25.665 -14.817 3.498) 29.841 2.234 ( -46.746 -26.989 -0.192) 53.978 3.175 ( -3.280 -1.894 0.342) 3.803 3.539 ( -16.947 -9.785 -1.215) 19.607 6.016 ( 3.206 1.851 -0.468) 3.732 7.708 ( -9.281 -5.358 -0.457) 10.726 9.655 ( 19.870 11.472 -2.647) 23.096 11.075 ( 4.823 2.785 -0.125) 5.570 11.789 ( -12.730 -7.350 -1.772) 14.806 13.917 ( 21.832 12.605 -0.532) 25.215 15.587 ( -1.703 -0.983 -2.607) 3.265 ======================= Grid point 331 (98/489) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 0.000 26.626 13.470) 29.839 0.814 ( 0.000 20.504 24.440) 31.902 1.258 ( 0.000 46.471 19.179) 50.273 3.107 ( -0.000 2.332 -1.327) 2.683 3.201 ( -0.000 11.635 -1.832) 11.778 6.138 ( 0.000 -11.228 6.576) 13.012 7.547 ( -0.000 5.166 0.293) 5.174 9.680 ( -0.000 32.275 -47.268) 57.236 11.161 ( 0.000 -3.211 -0.459) 3.243 11.193 ( -0.000 14.699 -19.681) 24.564 14.378 ( 0.000 -15.500 3.955) 15.997 15.270 ( -0.000 18.101 -19.401) 26.533 ======================= Grid point 332 (99/489) ======================= q-point: ( 0.18 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 7.803 19.410 19.775) 28.787 1.190 ( 10.593 24.846 10.611) 29.019 2.052 ( 27.432 42.214 10.941) 51.520 3.140 ( 1.094 3.805 -1.928) 4.404 3.426 ( 10.217 14.799 -1.098) 18.017 6.036 ( -2.724 -5.407 -0.446) 6.070 7.664 ( 5.452 7.718 0.763) 9.480 9.721 ( -2.242 -11.814 -7.923) 14.401 11.072 ( -3.018 -3.734 -3.034) 5.679 11.342 ( 4.452 21.453 -29.006) 36.351 14.141 ( -8.191 -19.074 7.855) 22.195 15.410 ( 4.066 7.038 -14.289) 16.439 ======================= Grid point 333 (100/489) ======================= q-point: ( 0.24 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 11.834 16.762 14.920) 25.370 1.690 ( 15.439 23.112 5.377) 28.310 2.997 ( 32.699 34.951 5.975) 48.234 3.208 ( 2.152 5.410 -2.438) 6.312 3.809 ( 16.082 15.066 0.357) 22.039 5.926 ( -3.749 -4.593 -3.308) 6.790 7.887 ( 9.338 10.453 1.130) 14.062 9.411 ( -13.035 -15.252 1.679) 20.133 10.972 ( -2.604 -5.251 -1.489) 6.048 11.538 ( 6.740 13.642 -28.303) 32.134 13.797 ( -12.509 -19.800 13.595) 27.080 15.426 ( -1.785 1.211 -12.593) 12.776 ======================= Grid point 334 (101/489) ======================= q-point: ( 0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 14.104 15.178 8.545) 22.412 2.195 ( 15.722 20.392 3.990) 26.056 3.299 ( 2.350 6.724 -2.826) 7.663 3.881 ( 31.022 27.956 1.320) 41.781 4.255 ( 17.924 13.188 2.010) 22.344 5.793 ( -4.854 -4.749 -3.250) 7.528 8.193 ( 11.967 12.722 1.148) 17.504 9.064 ( -11.619 -9.494 0.473) 15.012 10.873 ( -3.148 -3.642 -0.594) 4.851 11.625 ( 2.678 2.938 -24.281) 24.604 13.412 ( -15.194 -19.550 18.673) 31.012 15.315 ( -5.456 -1.101 -12.834) 13.989 ======================= Grid point 335 (102/489) ======================= q-point: ( 0.35 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 14.814 12.616 4.195) 19.906 2.654 ( 13.480 18.367 3.141) 22.998 3.399 ( 1.781 7.676 -3.039) 8.446 4.597 ( 23.953 17.891 -6.932) 30.690 4.686 ( 16.901 11.922 5.065) 21.294 5.659 ( -4.201 -3.881 0.710) 5.763 8.543 ( 12.373 13.389 0.930) 18.254 8.861 ( -4.021 -2.156 -2.017) 4.988 10.796 ( -2.902 -0.803 -0.065) 3.011 11.531 ( -3.647 -4.926 -20.783) 21.668 12.988 ( -19.035 -19.330 19.605) 33.472 15.174 ( -3.887 -1.299 -11.276) 11.998 ======================= Grid point 336 (103/489) ======================= q-point: ( 0.41 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 13.802 9.157 1.594) 16.640 3.040 ( 9.685 16.863 2.381) 19.592 3.490 ( 0.585 8.079 -3.101) 8.674 4.933 ( 8.339 3.262 -10.701) 13.953 5.113 ( 13.720 10.496 0.231) 17.276 5.646 ( 4.468 1.991 9.142) 10.369 8.826 ( 8.014 4.185 -1.437) 9.154 8.926 ( 7.694 13.012 -2.061) 15.257 10.759 ( -1.840 1.471 0.397) 2.389 11.298 ( -7.779 -8.401 -16.499) 20.083 12.479 ( -24.412 -18.433 15.285) 34.196 15.107 ( 1.005 -1.139 -6.973) 7.137 ======================= Grid point 337 (104/489) ======================= q-point: ( 0.47 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( 11.151 5.459 -0.313) 12.419 3.335 ( 4.996 15.179 1.701) 16.070 3.557 ( -1.102 8.001 -2.938) 8.594 4.930 ( -2.002 -2.204 -11.187) 11.576 5.380 ( 9.126 4.688 1.370) 10.351 5.866 ( 9.951 4.842 9.040) 14.290 9.051 ( 14.054 6.226 -3.507) 15.767 9.190 ( 5.820 14.095 -1.802) 15.356 10.754 ( -0.630 0.677 0.606) 1.106 11.019 ( -9.614 -8.443 -10.494) 16.548 11.905 ( -26.179 -13.727 9.194) 30.957 15.130 ( 4.540 -1.897 -2.550) 5.542 ======================= Grid point 338 (105/489) ======================= q-point: ( 0.53 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.222 ( 6.683 1.663 -2.591) 7.358 3.523 ( 0.019 12.734 1.184) 12.789 3.591 ( -2.925 7.845 -2.308) 8.685 4.839 ( -1.747 -1.289 -6.845) 7.181 5.535 ( 5.308 0.775 0.079) 5.365 6.068 ( 5.889 1.576 7.174) 9.414 9.337 ( 3.545 10.448 -0.322) 11.038 9.442 ( 16.713 9.281 -6.344) 20.142 10.708 ( -15.085 -9.003 -1.953) 17.675 10.742 ( 1.045 -3.842 0.287) 3.992 11.449 ( -17.546 -1.173 3.147) 17.865 15.189 ( 5.082 -3.316 0.383) 6.080 ======================= Grid point 339 (106/489) ======================= q-point: (-0.41 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.270 ( 0.559 -2.389 -4.841) 5.427 3.568 ( -6.610 8.417 -1.753) 10.845 3.629 ( -2.761 9.223 1.258) 9.710 4.832 ( 3.019 1.569 -2.867) 4.449 5.574 ( 0.567 -2.880 -1.514) 3.303 6.132 ( -0.732 -2.379 6.103) 6.591 9.408 ( -4.875 8.468 -0.656) 9.793 9.777 ( 10.387 -1.927 -4.632) 11.535 10.393 ( -6.802 0.314 1.226) 6.919 10.737 ( 3.403 -4.261 0.768) 5.507 11.302 ( -6.030 8.461 0.294) 10.394 15.231 ( 3.805 -4.525 2.290) 6.340 ======================= Grid point 340 (107/489) ======================= q-point: (-0.35 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( -4.913 -5.409 -5.228) 8.985 3.483 ( -11.151 6.334 -1.882) 12.961 3.652 ( -4.861 7.556 1.759) 9.156 4.954 ( 8.143 3.843 -0.482) 9.017 5.489 ( -4.498 -5.896 -2.471) 7.817 6.030 ( -8.382 -5.888 5.124) 11.453 9.337 ( -9.160 1.555 -0.340) 9.298 9.593 ( -14.964 -9.200 3.352) 17.883 10.631 ( 16.742 6.507 -4.601) 18.541 10.797 ( 6.984 4.852 0.685) 8.531 11.376 ( 3.868 9.869 -0.697) 10.623 15.248 ( 2.588 -4.615 4.072) 6.676 ======================= Grid point 341 (108/489) ======================= q-point: (-0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( -9.439 -7.022 -4.018) 12.431 3.294 ( -15.686 3.330 -1.257) 16.085 3.624 ( -6.505 5.713 1.563) 8.797 5.168 ( 10.962 4.659 0.884) 11.944 5.291 ( -9.109 -7.773 -3.468) 12.467 5.756 ( -16.605 -8.832 4.188) 19.269 9.124 ( -11.260 -6.806 1.536) 13.246 9.279 ( -15.799 -2.076 3.722) 16.364 10.732 ( -0.117 1.168 -0.694) 1.363 11.232 ( 24.446 11.899 -1.136) 27.212 11.609 ( 12.172 8.900 -5.531) 16.061 15.269 ( 2.805 -3.092 5.961) 7.278 ======================= Grid point 342 (109/489) ======================= q-point: (-0.24 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( -14.147 -7.663 -1.983) 16.211 3.001 ( -19.626 -0.239 -0.388) 19.631 3.555 ( -7.397 3.870 1.236) 8.439 4.998 ( -13.995 -8.878 -1.569) 16.648 5.297 ( -23.412 -10.267 -2.539) 25.690 5.425 ( 9.847 3.409 4.515) 11.356 8.862 ( -13.094 -5.896 1.205) 14.410 9.023 ( -11.059 -2.027 3.879) 11.893 10.742 ( -0.023 2.532 -0.704) 2.628 11.758 ( 19.340 7.422 14.420) 25.241 11.912 ( 19.628 9.060 -22.372) 31.110 15.332 ( 4.314 -0.604 6.981) 8.229 ======================= Grid point 343 (110/489) ======================= q-point: (-0.18 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -19.080 -7.728 0.413) 20.590 2.615 ( -22.816 -3.296 0.498) 23.059 3.458 ( -7.520 2.152 0.871) 7.870 4.607 ( -24.691 -9.986 0.879) 26.649 4.683 ( -27.666 -12.111 -2.414) 30.297 5.653 ( 10.099 3.368 0.593) 10.662 8.533 ( -17.951 -5.194 0.312) 18.690 8.942 ( 1.260 0.394 3.107) 3.376 10.787 ( 2.676 2.415 -0.626) 3.659 12.013 ( 5.846 0.839 3.079) 6.660 12.419 ( 29.142 11.111 -10.048) 32.767 15.441 ( 5.252 1.086 5.706) 7.831 ======================= Grid point 344 (111/489) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -23.106 -7.472 3.007) 24.469 2.157 ( -25.656 -4.738 1.527) 26.135 3.349 ( -6.911 0.716 0.410) 6.960 3.838 ( -43.288 -13.269 0.498) 45.278 4.222 ( -20.333 -7.725 -1.797) 21.825 5.834 ( 7.583 2.110 -0.415) 7.882 8.175 ( -17.241 -4.414 0.033) 17.797 9.080 ( 11.162 3.592 1.332) 11.801 10.875 ( 5.217 1.444 -0.445) 5.431 12.048 ( -1.108 -1.658 -3.073) 3.663 13.011 ( 28.999 9.572 -1.682) 30.585 15.548 ( 3.901 0.893 1.997) 4.473 ======================= Grid point 345 (112/489) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -25.022 -6.350 6.664) 26.661 1.651 ( -28.357 -4.263 2.873) 28.819 2.911 ( -49.974 -9.789 1.474) 50.945 3.242 ( -5.634 -0.256 -0.170) 5.643 3.796 ( -20.774 -4.440 -1.113) 21.272 5.956 ( 5.162 1.027 -1.018) 5.361 7.869 ( -13.879 -2.359 0.027) 14.078 9.388 ( 18.791 4.532 -0.111) 19.330 10.984 ( 6.320 0.311 -0.381) 6.339 11.919 ( -9.116 -3.317 -8.596) 12.961 13.585 ( 27.135 6.784 3.084) 28.140 15.589 ( 0.363 -0.278 -3.140) 3.173 ======================= Grid point 349 (113/489) ======================= q-point: ( 0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 0.000 19.806 21.371) 29.138 1.377 ( -0.000 26.647 9.172) 28.181 2.326 ( -0.000 50.128 9.397) 51.001 3.162 ( -0.000 4.006 -1.757) 4.374 3.507 ( -0.000 19.401 -1.897) 19.494 5.995 ( 0.000 -6.059 -1.972) 6.372 7.707 ( -0.000 10.677 0.422) 10.685 9.586 ( 0.000 -13.303 -4.187) 13.947 11.067 ( 0.000 -5.630 -0.631) 5.666 11.429 ( -0.000 20.328 -30.152) 36.365 14.013 ( 0.000 -23.997 8.872) 25.585 15.411 ( -0.000 7.869 -13.178) 15.348 ======================= Grid point 350 (114/489) ======================= q-point: ( 0.24 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 3.757 19.658 17.271) 26.436 1.749 ( 8.687 24.938 7.132) 27.354 2.989 ( 15.947 44.959 5.774) 48.052 3.221 ( 2.201 5.462 -2.074) 6.243 3.772 ( 7.732 19.875 -0.858) 21.343 5.911 ( -1.831 -5.623 -3.732) 6.993 7.878 ( 5.501 13.217 0.877) 14.343 9.401 ( -4.413 -16.273 1.760) 16.953 10.966 ( -3.412 -5.268 -1.731) 6.511 11.526 ( 1.678 13.554 -28.440) 31.549 13.754 ( -4.672 -25.310 12.487) 28.607 15.433 ( -0.778 3.758 -11.970) 12.570 ======================= Grid point 351 (115/489) ======================= q-point: ( 0.29 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 7.265 17.631 11.823) 22.437 2.197 ( 12.164 23.578 5.395) 27.074 3.323 ( 3.071 7.587 -2.498) 8.558 3.742 ( 21.341 35.909 0.466) 41.774 4.141 ( 12.657 17.557 1.918) 21.729 5.800 ( -3.165 -5.411 -3.809) 7.335 8.157 ( 9.292 15.687 1.582) 18.301 9.141 ( -8.784 -11.984 1.874) 14.976 10.867 ( -1.644 -4.097 -1.597) 4.695 11.554 ( 0.712 4.000 -25.330) 25.653 13.440 ( -7.811 -24.991 16.432) 30.913 15.366 ( -4.974 0.651 -11.807) 12.829 ======================= Grid point 352 (116/489) ======================= q-point: ( 0.35 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 9.654 14.611 6.728) 18.760 2.656 ( 12.179 22.398 4.464) 25.883 3.451 ( 2.335 10.015 -2.969) 10.704 4.384 ( 19.412 20.367 -7.483) 29.114 4.570 ( 15.136 18.416 6.214) 24.634 5.681 ( -3.330 -4.408 -1.007) 5.616 8.505 ( 10.554 16.935 2.288) 20.086 8.918 ( -6.388 -4.217 -0.536) 7.673 10.819 ( -0.609 -1.023 -0.865) 1.471 11.461 ( -2.221 -4.753 -22.189) 22.801 13.089 ( -11.031 -24.197 18.130) 32.185 15.221 ( -6.650 -0.752 -11.160) 13.013 ======================= Grid point 353 (117/489) ======================= q-point: ( 0.41 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( 10.651 10.870 3.216) 15.554 3.080 ( 9.824 21.416 3.502) 23.821 3.577 ( 0.561 12.046 -3.424) 12.536 4.758 ( 12.611 5.885 -9.326) 16.753 5.013 ( 12.322 14.902 1.790) 19.419 5.632 ( 1.150 0.014 5.693) 5.808 8.770 ( 3.183 4.110 0.690) 5.244 8.944 ( 6.873 15.963 -0.806) 17.399 10.815 ( -1.156 2.947 -0.403) 3.191 11.257 ( -4.778 -9.827 -18.465) 21.456 12.677 ( -16.055 -22.488 15.664) 31.762 15.084 ( -3.393 -1.864 -8.353) 9.207 ======================= Grid point 354 (118/489) ======================= q-point: ( 0.47 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( 9.992 6.913 0.661) 12.168 3.434 ( 5.737 20.197 2.597) 21.156 3.684 ( -1.771 13.418 -3.614) 14.009 4.875 ( 2.626 -0.937 -11.492) 11.825 5.285 ( 8.002 5.751 2.191) 10.095 5.777 ( 8.392 4.418 8.527) 12.753 8.897 ( 8.744 5.142 -2.006) 10.340 9.257 ( 6.159 19.123 0.268) 20.092 10.808 ( -3.737 2.244 -1.697) 4.678 11.022 ( -4.704 -8.376 -11.862) 15.263 12.195 ( -20.543 -17.410 10.312) 28.835 15.025 ( 2.089 -3.902 -4.218) 6.114 ======================= Grid point 355 (119/489) ======================= q-point: ( 0.53 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( 7.526 2.968 -1.863) 8.302 3.689 ( 0.575 18.089 1.974) 18.205 3.759 ( -4.345 14.470 -3.220) 15.447 4.827 ( -1.131 -1.344 -8.688) 8.863 5.444 ( 5.929 0.587 1.829) 6.232 5.983 ( 7.907 1.317 7.284) 10.831 9.163 ( 15.368 6.953 -2.979) 17.129 9.506 ( 1.010 17.453 -0.436) 17.488 10.694 ( -3.039 -7.130 -5.663) 9.600 10.860 ( -9.197 -1.421 -0.543) 9.322 11.749 ( -17.985 -5.699 4.344) 19.360 15.038 ( 5.812 -6.398 -0.787) 8.679 ======================= Grid point 356 (120/489) ======================= q-point: ( 0.59 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( 3.015 -0.793 -4.318) 5.326 3.789 ( -6.317 12.968 -2.608) 14.658 3.838 ( -5.171 17.411 2.020) 18.274 4.797 ( 1.043 0.928 -5.248) 5.430 5.507 ( 2.695 -3.635 -0.068) 4.525 6.101 ( 3.682 -2.882 6.677) 8.151 9.506 ( 16.947 3.843 -3.966) 17.825 9.615 ( -5.796 12.386 -0.891) 13.705 10.591 ( -6.252 -0.961 -0.707) 6.365 10.639 ( -5.645 -5.063 1.728) 7.778 11.528 ( -9.829 6.461 -0.115) 11.763 15.078 ( 6.814 -8.162 1.448) 10.731 ======================= Grid point 357 (121/489) ======================= q-point: (-0.35 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.175 ( -2.261 -3.440 -5.277) 6.693 3.759 ( -10.626 11.430 -2.645) 15.829 3.891 ( -8.368 15.323 2.669) 17.662 4.859 ( 5.618 2.776 -3.160) 7.018 5.465 ( -1.086 -6.972 -1.347) 7.184 6.088 ( -2.625 -5.845 6.131) 8.868 9.502 ( -8.979 -4.424 -2.015) 10.210 9.713 ( -2.099 3.694 1.022) 4.370 10.522 ( 1.974 10.978 -1.712) 11.285 10.692 ( 8.209 0.014 2.031) 8.457 11.482 ( -4.552 8.551 -1.886) 9.869 15.116 ( 6.379 -8.269 3.037) 10.876 ======================= Grid point 358 (122/489) ======================= q-point: (-0.29 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( -6.715 -4.578 -4.377) 9.231 3.625 ( -15.543 8.367 -2.025) 17.768 3.873 ( -10.811 12.675 2.327) 16.822 5.018 ( 9.884 3.438 -3.414) 11.007 5.328 ( -5.072 -8.679 -0.781) 10.083 5.928 ( -10.370 -7.380 5.386) 13.820 9.243 ( -11.054 -9.281 1.105) 14.476 9.574 ( -15.413 2.968 2.147) 15.842 10.739 ( 4.126 9.050 -2.354) 10.220 10.945 ( 18.815 7.804 -0.162) 20.370 11.535 ( 3.575 6.016 -3.077) 7.645 15.160 ( 6.137 -6.415 4.277) 9.854 ======================= Grid point 359 (123/489) ======================= q-point: (-0.24 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( -10.783 -4.699 -2.498) 12.025 3.375 ( -20.321 4.697 -0.871) 20.875 3.790 ( -11.815 9.046 1.459) 14.952 5.097 ( -7.582 -7.602 -6.339) 12.468 5.249 ( 9.824 2.368 1.026) 10.157 5.615 ( -18.766 -7.971 5.660) 21.159 8.985 ( -9.266 -7.240 2.276) 11.977 9.300 ( -18.528 0.908 1.839) 18.642 10.806 ( -2.869 6.388 -0.879) 7.057 11.432 ( 26.365 8.968 -2.652) 27.974 11.696 ( 10.161 2.839 -3.594) 11.146 15.236 ( 6.713 -3.436 4.623) 8.845 ======================= Grid point 360 (124/489) ======================= q-point: (-0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( -15.307 -4.165 -0.302) 15.866 3.018 ( -24.022 1.371 0.326) 24.064 3.662 ( -11.381 5.124 0.580) 12.495 4.821 ( -13.611 -6.675 -2.400) 15.349 5.109 ( -27.957 -6.738 -1.318) 28.788 5.498 ( 10.626 1.450 3.138) 11.174 8.776 ( -11.814 -3.555 1.467) 12.425 9.016 ( -11.758 -0.903 1.748) 11.921 10.805 ( -1.955 3.742 -0.844) 4.305 11.870 ( 11.466 0.971 -14.426) 18.454 12.000 ( 27.200 7.292 8.755) 29.490 15.348 ( 7.206 -1.182 3.128) 7.944 ======================= Grid point 361 (125/489) ======================= q-point: (-0.12 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -20.274 -3.073 1.913) 20.594 2.588 ( -26.171 -0.590 1.344) 26.212 3.510 ( -10.000 1.711 -0.180) 10.147 4.459 ( -35.668 -4.929 1.773) 36.051 4.496 ( -20.530 -3.896 -2.834) 21.087 5.698 ( 9.805 0.964 0.020) 9.852 8.468 ( -19.263 -1.756 0.772) 19.359 8.961 ( 4.246 -0.198 0.948) 4.355 10.824 ( 1.605 1.434 -0.617) 2.240 11.977 ( 5.541 -0.810 -11.609) 12.889 12.587 ( 29.330 5.914 7.667) 30.887 15.464 ( 6.293 -0.884 -0.348) 6.364 ======================= Grid point 362 (126/489) ======================= q-point: (-0.06 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -24.035 -0.999 4.467) 24.467 2.122 ( -27.511 -0.526 2.157) 27.601 3.357 ( -8.029 -0.425 -0.936) 8.094 3.707 ( -45.588 0.165 1.732) 45.621 4.139 ( -20.679 0.834 -0.532) 20.703 5.849 ( 7.410 0.017 -1.327) 7.528 8.135 ( -17.743 0.082 0.655) 17.756 9.121 ( 13.671 -0.524 0.387) 13.686 10.886 ( 4.735 0.226 -0.477) 4.765 11.960 ( -2.011 -1.215 -14.029) 14.225 13.165 ( 28.748 2.819 10.066) 30.589 15.531 ( 3.808 -1.781 -4.792) 6.375 ======================= Grid point 367 (127/489) ======================= q-point: ( 0.24 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 0.000 18.744 15.994) 24.640 1.936 ( -0.000 24.266 6.392) 25.094 3.239 ( -0.000 4.935 -2.285) 5.438 3.343 ( -0.000 46.552 3.760) 46.704 3.922 ( -0.000 22.522 -0.450) 22.526 5.856 ( -0.000 -5.835 -4.172) 7.173 7.975 ( -0.000 15.581 0.667) 15.595 9.291 ( 0.000 -14.105 3.379) 14.504 10.939 ( 0.000 -6.517 -0.726) 6.557 11.532 ( -0.000 8.066 -29.427) 30.512 13.567 ( 0.000 -27.303 13.863) 30.621 15.445 ( -0.000 3.648 -10.826) 11.424 ======================= Grid point 368 (128/489) ======================= q-point: ( 0.29 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 2.347 17.223 12.342) 21.318 2.264 ( 8.205 22.534 5.288) 24.557 3.318 ( 3.830 5.912 -2.456) 7.460 3.863 ( 8.451 38.488 -2.298) 39.472 4.200 ( 5.195 23.299 3.288) 24.097 5.773 ( -1.506 -5.418 -3.691) 6.727 8.194 ( 5.840 17.477 1.163) 18.463 9.144 ( -4.011 -10.345 3.371) 11.596 10.850 ( -1.971 -5.131 -1.313) 5.651 11.490 ( 0.327 0.373 -27.029) 27.034 13.314 ( -2.855 -27.424 15.859) 31.808 15.416 ( -3.135 1.843 -10.169) 10.800 ======================= Grid point 369 (129/489) ======================= q-point: ( 0.35 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 4.642 14.446 8.002) 17.154 2.681 ( 12.131 21.386 4.645) 25.022 3.467 ( 5.740 8.266 -2.682) 10.415 4.307 ( 10.055 20.608 -8.990) 24.629 4.600 ( 9.455 26.712 6.744) 29.128 5.683 ( -2.182 -3.801 -1.182) 4.539 8.519 ( 9.432 18.713 2.408) 21.094 8.985 ( -5.855 -4.018 1.030) 7.175 10.794 ( 0.733 -2.195 -1.473) 2.743 11.371 ( -1.512 -6.447 -23.164) 24.092 13.023 ( -5.404 -27.034 16.623) 32.193 15.306 ( -6.894 0.253 -9.721) 11.920 ======================= Grid point 370 (130/489) ======================= q-point: ( 0.41 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 6.634 11.038 4.436) 13.620 3.118 ( 12.096 20.545 4.047) 24.182 3.651 ( 4.639 11.786 -3.354) 13.103 4.592 ( 10.150 7.976 -8.994) 15.734 5.014 ( 7.894 19.368 2.518) 21.066 5.642 ( -0.191 0.829 3.867) 3.960 8.798 ( 0.288 6.044 2.429) 6.521 8.988 ( 6.607 15.820 -0.126) 17.144 10.824 ( 3.062 2.162 -1.269) 3.957 11.167 ( -3.921 -10.772 -19.370) 22.508 12.690 ( -8.465 -25.984 15.135) 31.239 15.140 ( -7.734 -1.179 -8.412) 11.488 ======================= Grid point 371 (131/489) ======================= q-point: ( 0.47 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( 7.495 7.363 1.649) 10.635 3.519 ( 9.420 19.492 3.452) 21.923 3.829 ( 1.416 15.484 -4.101) 16.080 4.753 ( 6.744 0.458 -9.758) 11.871 5.249 ( 4.198 7.354 2.137) 8.733 5.738 ( 4.407 5.764 6.708) 9.881 8.849 ( 2.498 5.654 -0.426) 6.196 9.338 ( 8.245 20.429 2.092) 22.129 10.886 ( -5.011 -1.561 -8.061) 9.619 10.946 ( 1.995 -3.883 -8.432) 9.495 12.311 ( -11.954 -22.311 11.364) 27.746 14.986 ( -4.301 -3.554 -5.775) 8.030 ======================= Grid point 372 (132/489) ======================= q-point: ( 0.53 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.017 ( 6.782 3.735 -0.882) 7.792 3.839 ( 4.480 17.716 2.422) 18.433 3.978 ( -2.121 18.278 -3.503) 18.731 4.787 ( 1.787 -0.670 -9.019) 9.219 5.369 ( 4.253 0.827 3.639) 5.659 5.893 ( 5.747 1.993 5.870) 8.453 9.017 ( 9.062 7.941 -1.224) 12.111 9.648 ( 3.991 17.990 2.117) 18.549 10.653 ( -4.988 -10.599 -10.282) 15.586 11.000 ( -3.383 7.128 -0.574) 7.911 11.940 ( -12.162 -12.788 6.084) 18.667 14.894 ( 1.296 -6.969 -2.650) 7.568 ======================= Grid point 373 (133/489) ======================= q-point: ( 0.59 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( 4.259 0.526 -3.166) 5.333 4.015 ( -3.448 15.707 -1.760) 16.177 4.115 ( -3.514 19.277 1.539) 19.655 4.779 ( 0.428 1.738 -6.944) 7.171 5.425 ( 2.487 -3.522 1.937) 4.727 6.000 ( 5.520 -4.030 5.877) 9.014 9.287 ( 12.873 6.970 -2.108) 14.790 9.819 ( -3.024 11.707 0.983) 12.131 10.492 ( 1.318 -8.235 -4.557) 9.504 10.914 ( -13.729 6.526 1.826) 15.310 11.724 ( -7.390 0.954 0.389) 7.461 14.870 ( 5.961 -9.833 -0.076) 11.499 ======================= Grid point 374 (134/489) ======================= q-point: (-0.35 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( 0.265 -1.673 -4.340) 4.659 4.050 ( -8.897 14.372 -2.886) 17.148 4.219 ( -7.330 17.975 3.788) 19.778 4.806 ( 2.188 3.394 -5.358) 6.709 5.394 ( 0.038 -7.390 -0.174) 7.393 6.037 ( 3.010 -7.451 5.999) 10.029 9.485 ( 3.260 -2.569 -2.901) 5.063 9.822 ( -3.464 7.297 0.749) 8.113 10.509 ( 7.333 -4.912 0.001) 8.826 10.783 ( -10.875 15.533 2.230) 19.092 11.647 ( -6.347 5.238 -2.712) 8.664 14.897 ( 8.408 -10.420 1.649) 13.491 ======================= Grid point 375 (135/489) ======================= q-point: (-0.29 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( -3.931 -2.456 -3.820) 6.006 3.970 ( -14.040 10.844 -2.521) 17.918 4.237 ( -12.014 16.198 3.656) 20.495 4.893 ( 6.068 3.093 -5.200) 8.569 5.291 ( -1.647 -9.509 -0.081) 9.651 5.985 ( -2.586 -7.738 5.312) 9.735 9.331 ( -9.413 -8.335 -0.379) 12.578 9.822 ( -7.540 3.524 1.022) 8.386 10.664 ( 13.855 3.482 -2.610) 14.522 10.885 ( -0.415 17.242 3.795) 17.659 11.573 ( -4.354 1.632 -4.002) 6.135 14.962 ( 9.205 -8.387 2.516) 12.704 ======================= Grid point 376 (136/489) ======================= q-point: (-0.24 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( -7.738 -2.140 -2.177) 8.318 3.766 ( -18.662 6.265 -1.369) 19.733 4.142 ( -15.749 11.304 1.944) 19.483 5.024 ( 6.643 0.665 -9.738) 11.807 5.176 ( -0.683 -6.289 5.318) 8.264 5.818 ( -10.557 -6.319 4.346) 13.048 9.081 ( -9.783 -6.640 1.052) 11.871 9.630 ( -16.432 1.079 1.339) 16.522 10.943 ( 2.460 10.497 -4.195) 11.569 11.098 ( 14.721 7.906 1.476) 16.775 11.558 ( 5.531 -1.527 -1.863) 6.032 15.063 ( 9.367 -5.064 2.247) 10.883 ======================= Grid point 377 (137/489) ======================= q-point: (-0.18 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( -11.605 -1.179 -0.255) 11.667 3.447 ( -22.739 2.337 0.028) 22.859 3.948 ( -15.581 4.518 0.122) 16.223 4.945 ( -7.455 -2.884 -4.327) 9.089 5.278 ( 8.002 1.011 -2.357) 8.403 5.525 ( -17.244 -4.535 6.370) 18.934 8.886 ( -7.255 -3.426 1.031) 8.089 9.317 ( -19.911 -0.157 0.950) 19.935 10.929 ( -7.442 4.733 -0.778) 8.854 11.500 ( 22.922 2.313 -15.914) 28.000 11.749 ( 15.092 1.923 12.661) 19.793 15.192 ( 9.125 -2.540 0.437) 9.482 ======================= Grid point 378 (138/489) ======================= q-point: (-0.12 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -16.005 0.271 1.384) 16.067 3.040 ( -25.470 -0.025 1.162) 25.497 3.716 ( -12.970 -0.563 -0.985) 13.020 4.746 ( -13.348 1.188 -1.264) 13.460 5.026 ( -28.887 -0.253 -2.283) 28.978 5.524 ( 10.269 -0.598 2.883) 10.683 8.741 ( -10.247 -0.674 1.010) 10.319 9.002 ( -12.536 -0.915 -0.410) 12.576 10.850 ( -3.521 0.471 -0.405) 3.575 11.756 ( 13.654 -0.567 -19.645) 23.930 12.195 ( 25.203 3.101 18.077) 31.170 15.317 ( 8.021 -2.047 -2.866) 8.760 ======================= Grid point 379 (139/489) ======================= q-point: (-0.06 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( -20.492 2.415 2.732) 20.814 2.593 ( -26.239 0.069 1.917) 26.309 3.496 ( -9.945 -2.430 -1.625) 10.365 4.460 ( -36.880 4.359 0.921) 37.148 4.506 ( -18.437 5.609 -0.925) 19.294 5.694 ( 9.390 -1.149 -0.373) 9.468 8.471 ( -19.126 1.413 1.083) 19.208 8.939 ( 4.842 -1.830 -1.318) 5.341 10.829 ( 1.445 -0.799 -0.132) 1.656 11.864 ( 6.412 -0.499 -18.333) 19.428 12.732 ( 27.631 0.033 17.824) 32.881 15.399 ( 6.067 -2.997 -6.882) 9.652 ======================= Grid point 385 (140/489) ======================= q-point: ( 0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 0.000 15.354 10.490) 18.596 2.420 ( -0.000 20.686 4.362) 21.141 3.325 ( -0.000 5.098 -2.795) 5.814 4.134 ( -0.000 29.846 -8.164) 30.942 4.439 ( -0.000 29.808 7.295) 30.687 5.726 ( -0.000 -4.356 -2.557) 5.051 8.322 ( -0.000 18.266 0.649) 18.278 9.106 ( 0.000 -6.267 3.777) 7.317 10.812 ( 0.000 -5.365 -0.548) 5.392 11.374 ( -0.000 -5.250 -27.203) 27.705 13.112 ( 0.000 -27.781 15.969) 32.044 15.436 ( -0.000 1.933 -8.729) 8.940 ======================= Grid point 386 (141/489) ======================= q-point: ( 0.35 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 1.380 12.647 7.365) 14.700 2.708 ( 8.630 18.848 3.751) 21.066 3.419 ( 5.746 5.729 -2.825) 8.592 4.368 ( 2.782 18.133 -10.595) 21.185 4.804 ( 3.281 30.226 6.724) 31.139 5.681 ( -0.983 -1.352 0.110) 1.675 8.568 ( 6.701 18.542 1.124) 19.747 9.045 ( -3.520 -1.296 1.917) 4.212 10.758 ( -0.226 -3.136 -0.798) 3.244 11.222 ( 0.550 -10.019 -23.426) 25.484 12.864 ( -2.333 -27.732 15.261) 31.739 15.388 ( -4.499 1.261 -7.834) 9.122 ======================= Grid point 387 (142/489) ======================= q-point: ( 0.41 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( 3.217 9.607 4.387) 11.040 3.094 ( 13.211 17.183 3.375) 21.935 3.613 ( 9.488 8.119 -2.959) 12.834 4.528 ( 3.932 8.964 -10.110) 14.072 5.137 ( 2.601 20.373 3.007) 20.757 5.688 ( -0.449 5.198 4.025) 6.589 8.873 ( 3.210 11.608 2.794) 12.364 9.030 ( 3.237 10.909 -1.047) 11.427 10.763 ( 3.540 -0.203 -1.314) 3.782 11.042 ( -1.087 -11.724 -18.402) 21.847 12.576 ( -4.454 -27.301 13.522) 30.790 15.257 ( -8.537 0.231 -7.066) 11.084 ======================= Grid point 388 (143/489) ======================= q-point: ( 0.47 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( 4.820 6.565 1.990) 8.384 3.503 ( 13.548 15.347 3.134) 20.710 3.874 ( 9.225 12.741 -3.690) 16.157 4.624 ( 4.861 1.642 -8.681) 10.083 5.300 ( -0.104 7.896 2.184) 8.193 5.794 ( 0.618 10.464 5.286) 11.740 8.913 ( -2.224 7.057 -0.110) 7.400 9.376 ( 11.363 18.990 1.923) 22.214 10.799 ( -0.022 -10.998 -12.381) 16.561 10.908 ( 3.746 3.457 -3.786) 6.349 12.258 ( -6.177 -25.251 10.995) 28.225 15.067 ( -9.749 -1.531 -5.847) 11.470 ======================= Grid point 389 (144/489) ======================= q-point: ( 0.53 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( 5.302 3.653 -0.058) 6.438 3.873 ( 11.042 13.865 2.462) 17.894 4.135 ( 4.275 17.074 -3.746) 17.996 4.689 ( 5.442 -0.637 -7.409) 9.215 5.348 ( 0.314 0.983 4.246) 4.369 5.899 ( -0.514 6.173 3.846) 7.291 8.999 ( 2.993 9.401 -0.425) 9.875 9.729 ( 7.479 15.887 3.035) 17.820 10.588 ( -4.257 -11.315 -11.190) 16.473 11.076 ( 5.133 9.715 -1.892) 11.150 11.951 ( -5.875 -19.334 7.849) 21.678 14.872 ( -7.044 -4.554 -3.997) 9.291 ======================= Grid point 390 (145/489) ======================= q-point: ( 0.59 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.055 ( 4.377 1.217 -1.806) 4.889 4.163 ( 5.062 14.360 -0.090) 15.227 4.322 ( -0.116 15.035 0.079) 15.036 4.760 ( 3.248 4.184 -7.605) 9.267 5.369 ( 1.599 -3.195 4.580) 5.808 5.919 ( -0.246 -2.333 3.493) 4.208 9.191 ( 7.609 9.744 -0.444) 12.371 9.947 ( 1.279 9.391 2.802) 9.884 10.386 ( -2.319 -9.856 -7.163) 12.403 11.186 ( -5.546 11.131 -0.112) 12.436 11.773 ( -0.614 -6.761 2.809) 7.347 14.724 ( -1.222 -8.103 -1.828) 8.396 ======================= Grid point 391 (146/489) ======================= q-point: ( 0.65 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.108 ( 2.059 -0.331 -2.809) 3.499 4.307 ( -4.118 14.265 -3.115) 15.171 4.463 ( -0.513 12.198 4.926) 13.165 4.821 ( 0.140 6.756 -6.782) 9.574 5.349 ( -1.729 -3.961 1.211) 4.489 5.895 ( 3.769 -9.764 4.783) 11.507 9.405 ( 6.091 5.545 -1.083) 8.308 9.956 ( -5.881 2.662 0.580) 6.482 10.323 ( 6.428 -6.814 -1.667) 9.515 11.150 ( -10.962 14.274 2.572) 18.180 11.755 ( -1.837 1.909 -2.156) 3.415 14.667 ( 5.347 -9.761 0.048) 11.130 ======================= Grid point 392 (147/489) ======================= q-point: (-0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.102 ( -1.188 -0.726 -2.568) 2.921 4.298 ( -11.061 11.315 -2.707) 16.053 4.549 ( -4.565 10.508 4.572) 12.336 4.872 ( 0.266 6.748 -4.806) 8.289 5.232 ( -4.244 -7.430 -0.900) 8.604 5.893 ( 4.872 -9.611 4.695) 11.754 9.410 ( -6.558 -2.932 -0.880) 7.237 9.923 ( -1.707 2.892 0.472) 3.391 10.431 ( 12.202 -2.604 -0.731) 12.498 11.164 ( -6.720 17.897 3.939) 19.518 11.673 ( -7.596 -0.621 -4.271) 8.736 14.713 ( 9.788 -7.926 0.912) 12.628 ======================= Grid point 393 (148/489) ======================= q-point: (-0.24 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( -4.663 -0.125 -1.256) 4.831 4.130 ( -16.890 5.578 -1.401) 17.842 4.511 ( -12.588 6.577 1.424) 14.274 4.930 ( 1.707 5.493 -5.868) 8.217 5.117 ( 1.059 -7.685 3.030) 8.329 5.871 ( -0.949 -5.438 2.987) 6.276 9.209 ( -10.720 -3.322 0.076) 11.223 9.861 ( -8.679 0.356 0.989) 8.743 10.694 ( 18.726 1.593 -3.550) 19.126 11.281 ( -4.361 17.370 5.466) 18.725 11.480 ( -4.960 -8.359 -4.209) 10.592 14.839 ( 11.104 -4.228 0.381) 11.887 ======================= Grid point 394 (149/489) ======================= q-point: (-0.18 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( -8.151 1.068 0.403) 8.231 3.836 ( -20.176 0.716 0.021) 20.189 4.259 ( -17.489 -1.620 -1.511) 17.629 4.993 ( 0.386 4.136 -7.093) 8.220 5.143 ( 5.687 -1.689 5.874) 8.348 5.752 ( -9.812 -1.911 2.088) 10.212 9.010 ( -9.646 -0.623 -0.071) 9.666 9.640 ( -16.579 -0.579 0.915) 16.615 11.034 ( 15.445 2.669 -5.901) 16.748 11.177 ( -5.773 -3.949 -4.873) 8.525 11.566 ( 11.559 3.391 8.939) 15.000 14.999 ( 10.337 -1.367 -1.455) 10.528 ======================= Grid point 395 (150/489) ======================= q-point: (-0.12 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( -11.892 2.620 1.687) 12.293 3.457 ( -22.966 -1.794 1.048) 23.060 3.925 ( -15.027 -5.785 -2.248) 16.258 4.960 ( -7.622 5.956 -2.680) 10.037 5.267 ( 5.240 0.140 -3.589) 6.353 5.523 ( -14.570 0.394 6.248) 15.858 8.869 ( -7.252 1.668 -0.819) 7.487 9.307 ( -20.181 -1.167 0.016) 20.214 10.934 ( -7.399 -3.988 -0.214) 8.409 11.392 ( 19.683 -0.950 -16.517) 25.713 11.894 ( 18.804 1.081 16.907) 25.310 15.145 ( 8.455 -0.609 -4.274) 9.494 ======================= Grid point 396 (151/489) ======================= q-point: (-0.06 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( -15.990 4.628 2.243) 16.797 3.030 ( -24.195 -1.519 1.633) 24.297 3.633 ( -11.059 -5.461 -2.318) 12.549 4.841 ( -13.308 7.634 -0.114) 15.343 5.064 ( -25.240 5.957 -5.505) 26.511 5.521 ( 7.907 -1.708 4.997) 9.508 8.762 ( -9.564 2.487 -0.025) 9.882 8.976 ( -13.540 -0.802 -2.213) 13.743 10.816 ( -2.018 -3.251 0.254) 3.835 11.615 ( 13.950 -1.310 -18.806) 23.452 12.328 ( 24.771 -2.860 20.604) 32.347 15.242 ( 6.087 -1.552 -7.576) 9.842 ======================= Grid point 403 (152/489) ======================= q-point: ( 0.35 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( 0.000 10.108 5.343) 11.433 2.813 ( -0.000 16.343 3.017) 16.619 3.404 ( -0.000 4.722 -3.083) 5.640 4.470 ( -0.000 12.820 -11.430) 17.175 5.088 ( -0.000 26.192 5.168) 26.697 5.704 ( 0.000 4.177 2.686) 4.967 8.685 ( -0.000 17.097 0.075) 17.098 9.087 ( -0.000 2.411 0.848) 2.555 10.733 ( 0.000 -2.126 0.052) 2.126 11.026 ( -0.000 -12.850 -20.766) 24.421 12.652 ( 0.000 -27.807 13.344) 30.843 15.423 ( -0.000 1.736 -6.319) 6.554 ======================= Grid point 404 (153/489) ======================= q-point: ( 0.41 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 0.926 7.293 3.117) 7.985 3.057 ( 9.141 14.026 2.562) 16.936 3.510 ( 7.676 5.223 -2.945) 9.740 4.540 ( 0.804 6.765 -10.741) 12.719 5.314 ( -0.309 15.512 2.741) 15.755 5.797 ( -0.301 12.591 5.084) 13.582 8.915 ( 7.003 14.827 0.610) 16.409 9.104 ( -1.768 6.667 -2.068) 7.201 10.717 ( 0.209 -1.332 -0.998) 1.677 10.859 ( 2.052 -11.643 -14.394) 18.627 12.396 ( -2.010 -27.450 10.984) 29.635 15.373 ( -5.581 1.523 -5.365) 7.890 ======================= Grid point 405 (154/489) ======================= q-point: ( 0.47 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( 2.634 4.872 1.471) 5.730 3.399 ( 14.016 11.366 2.293) 18.191 3.753 ( 13.842 7.734 -2.885) 16.116 4.569 ( 1.224 2.036 -8.433) 8.762 5.406 ( -2.289 6.912 2.242) 7.619 5.948 ( -1.303 15.164 4.626) 15.907 9.043 ( -3.541 8.162 -1.454) 9.015 9.329 ( 13.679 15.051 -0.553) 20.346 10.654 ( 0.377 -10.046 -8.532) 13.186 10.835 ( 4.859 1.071 -2.604) 5.615 12.114 ( -3.265 -25.570 8.680) 27.200 15.228 ( -10.400 0.606 -4.656) 11.411 ======================= Grid point 406 (155/489) ======================= q-point: ( 0.53 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( 3.834 2.842 0.302) 4.782 3.761 ( 15.083 9.013 1.918) 17.675 4.104 ( 15.298 12.005 -3.014) 19.678 4.581 ( 2.597 -0.748 -5.653) 6.266 5.405 ( -3.532 1.925 3.117) 5.089 6.045 ( -4.421 10.654 2.777) 11.864 9.080 ( -1.030 9.632 -1.596) 9.817 9.711 ( 12.286 12.537 1.287) 17.600 10.516 ( -2.483 -7.996 -7.907) 11.516 10.994 ( 10.673 4.238 -1.466) 11.577 11.846 ( -3.194 -20.678 6.943) 22.045 15.009 ( -12.615 -1.194 -3.803) 13.230 ======================= Grid point 407 (156/489) ======================= q-point: ( 0.59 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( 3.953 1.266 -0.609) 4.195 4.107 ( 14.019 8.527 0.993) 16.438 4.419 ( 4.546 11.286 -1.165) 12.223 4.662 ( 10.379 3.153 -5.696) 12.252 5.351 ( -2.868 -3.283 4.613) 6.347 6.015 ( -8.109 3.652 1.336) 8.993 9.199 ( 3.500 10.229 -0.529) 10.825 9.965 ( 6.127 5.054 2.104) 8.216 10.358 ( -5.912 -5.074 -5.927) 9.789 11.252 ( 10.838 8.148 -2.849) 13.856 11.667 ( 0.527 -12.506 5.897) 13.837 14.765 ( -10.877 -3.735 -2.574) 11.785 ======================= Grid point 408 (157/489) ======================= q-point: ( 0.65 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( 3.014 0.385 -1.169) 3.256 4.402 ( 7.816 9.486 -2.386) 12.520 4.516 ( 2.828 3.792 4.091) 6.255 4.878 ( 2.335 11.038 -7.603) 13.606 5.313 ( 3.849 -4.997 5.186) 8.166 5.857 ( -9.333 -4.744 1.211) 10.540 9.377 ( 5.354 8.168 -0.020) 9.766 10.058 ( 0.374 0.980 2.145) 2.388 10.187 ( -3.527 -6.034 -3.933) 8.020 11.404 ( -3.200 9.226 0.125) 9.766 11.698 ( 8.391 -2.302 1.031) 8.762 14.572 ( -4.499 -5.569 -1.068) 7.238 ======================= Grid point 409 (158/489) ======================= q-point: (-0.29 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( 1.128 0.377 -1.055) 1.590 4.488 ( -1.511 4.626 -1.869) 5.213 4.696 ( 1.546 10.457 2.990) 10.986 4.859 ( -1.223 -3.617 -2.309) 4.462 5.378 ( -7.328 8.813 -2.135) 11.659 5.682 ( 4.397 -13.752 3.724) 14.910 9.480 ( -1.386 2.109 -0.257) 2.537 9.993 ( -4.943 1.363 0.458) 5.148 10.203 ( 9.623 -3.694 -0.916) 10.348 11.409 ( -4.982 6.975 2.182) 8.845 11.764 ( -2.027 0.973 -1.986) 3.000 14.517 ( 4.396 -4.293 -0.070) 6.145 ======================= Grid point 410 (159/489) ======================= q-point: (-0.24 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.097 ( -1.515 1.179 -0.162) 1.927 4.425 ( -11.371 1.606 -0.698) 11.505 4.636 ( -4.768 -2.657 -2.960) 6.209 4.966 ( 8.142 0.872 4.116) 9.165 5.165 ( -16.320 2.598 -1.718) 16.614 5.768 ( 8.401 -2.865 1.147) 8.950 9.377 ( -9.629 0.234 0.008) 9.632 9.955 ( -2.429 -0.116 0.926) 2.602 10.397 ( 14.838 0.198 -2.110) 14.989 11.379 ( -1.989 -4.060 0.479) 4.547 11.648 ( -11.448 4.369 0.418) 12.261 14.624 ( 9.983 -0.494 -0.483) 10.007 ======================= Grid point 411 (160/489) ======================= q-point: (-0.18 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( -4.617 2.477 1.135) 5.361 4.149 ( -17.250 -3.616 0.545) 17.633 4.449 ( -11.100 -9.600 -4.487) 15.346 4.985 ( 0.119 -1.735 -2.040) 2.681 5.128 ( 0.918 8.029 5.434) 9.738 5.838 ( -0.401 1.598 -0.305) 1.676 9.207 ( -11.298 3.141 -0.229) 11.728 9.860 ( -9.002 -1.169 0.899) 9.122 10.681 ( 18.639 -0.075 -4.841) 19.258 11.206 ( -4.656 -16.118 -2.020) 16.898 11.582 ( -3.692 7.945 6.015) 10.627 14.815 ( 10.457 2.572 -2.024) 10.957 ======================= Grid point 412 (161/489) ======================= q-point: (-0.12 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( -7.980 3.982 2.182) 9.182 3.791 ( -19.110 -5.335 1.240) 19.879 4.088 ( -14.504 -11.638 -3.604) 18.942 5.029 ( 4.535 1.352 -7.138) 8.564 5.219 ( -0.681 5.763 7.259) 9.294 5.778 ( -9.312 3.581 0.613) 9.996 9.058 ( -10.742 5.819 -1.390) 12.295 9.616 ( -16.822 -2.478 -0.053) 17.004 10.953 ( 3.712 -9.839 -7.140) 12.711 11.009 ( 11.675 -3.528 -1.846) 12.335 11.691 ( 8.776 -0.220 9.908) 13.238 15.001 ( 8.135 3.473 -4.024) 9.718 ======================= Grid point 413 (162/489) ======================= q-point: (-0.06 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( -11.538 5.728 2.424) 13.108 3.397 ( -20.799 -4.552 1.459) 21.341 3.747 ( -11.139 -8.780 -2.919) 14.481 5.065 ( -2.352 4.957 -7.413) 9.223 5.265 ( -0.942 2.163 0.361) 2.387 5.620 ( -13.295 5.126 6.366) 15.606 8.941 ( -9.303 6.412 -2.406) 11.552 9.268 ( -19.061 -2.360 -1.314) 19.252 10.818 ( -2.543 -5.904 0.235) 6.432 11.268 ( 17.335 -2.475 -12.949) 21.779 11.945 ( 19.983 -7.029 15.313) 26.139 15.128 ( 4.889 2.495 -6.127) 8.226 ======================= Grid point 421 (163/489) ======================= q-point: ( 0.41 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( -0.000 4.734 1.478) 4.960 3.107 ( -0.000 11.362 2.173) 11.568 3.474 ( -0.000 4.196 -2.910) 5.107 4.552 ( -0.000 3.344 -9.661) 10.223 5.451 ( -0.000 9.427 2.176) 9.675 5.971 ( -0.000 17.257 5.129) 18.003 8.980 ( -0.000 12.219 -0.715) 12.240 9.182 ( -0.000 7.266 -4.453) 8.522 10.665 ( -0.000 -11.951 -9.901) 15.520 10.734 ( 0.000 1.894 0.757) 2.040 12.170 ( 0.000 -27.048 8.135) 28.245 15.428 ( -0.000 2.084 -4.094) 4.594 ======================= Grid point 422 (164/489) ======================= q-point: ( 0.47 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( 1.088 2.840 0.617) 3.104 3.296 ( 9.092 8.501 1.779) 12.573 3.591 ( 9.599 4.699 -2.506) 10.977 4.548 ( 0.321 1.004 -7.149) 7.226 5.515 ( -1.969 5.717 1.832) 6.318 6.145 ( -1.306 15.856 3.819) 16.362 9.146 ( 3.025 8.888 -1.382) 9.490 9.250 ( 5.193 8.999 -5.383) 11.702 10.538 ( -0.056 -8.225 -4.154) 9.215 10.783 ( 2.317 2.479 0.224) 3.400 11.920 ( -0.979 -24.938 5.620) 25.582 15.380 ( -6.528 1.835 -3.348) 7.563 ======================= Grid point 423 (165/489) ======================= q-point: ( 0.53 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( 2.602 1.675 0.453) 3.128 3.578 ( 14.228 5.656 1.408) 15.376 3.880 ( 17.875 6.296 -2.067) 19.064 4.541 ( 0.491 -0.027 -4.217) 4.246 5.509 ( -4.283 2.786 1.735) 5.396 6.245 ( -4.295 11.213 2.029) 12.177 9.195 ( -2.339 8.271 -3.632) 9.332 9.557 ( 16.589 7.855 -1.399) 18.408 10.471 ( -0.332 -2.674 -2.062) 3.393 10.855 ( 5.123 -0.759 0.025) 5.179 11.698 ( -0.376 -18.811 3.969) 19.229 15.221 ( -12.162 0.943 -2.817) 12.519 ======================= Grid point 424 (166/489) ======================= q-point: ( 0.59 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( 3.388 0.881 0.428) 3.527 3.898 ( 16.544 4.031 1.028) 17.059 4.293 ( 21.206 7.875 -1.788) 22.692 4.541 ( 1.178 -0.599 -1.909) 2.322 5.434 ( -6.520 -0.448 1.950) 6.820 6.222 ( -8.702 5.720 0.396) 10.421 9.253 ( 0.806 8.112 -1.626) 8.312 9.856 ( 10.628 1.737 -0.059) 10.769 10.438 ( -4.940 3.438 -2.095) 6.372 10.989 ( 16.207 -4.860 -0.884) 16.943 11.578 ( 0.834 -8.445 3.540) 9.195 14.975 ( -15.201 -0.279 -2.119) 15.351 ======================= Grid point 425 (167/489) ======================= q-point: ( 0.65 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( 3.356 0.460 0.315) 3.402 4.226 ( 16.660 2.938 0.353) 16.921 4.529 ( 0.004 1.201 1.551) 1.961 4.758 ( 21.308 7.279 -4.163) 22.899 5.290 ( -7.669 -4.587 2.905) 9.396 6.063 ( -13.368 0.975 -0.674) 13.421 9.366 ( 4.062 5.544 -0.008) 6.873 9.971 ( 5.000 -2.316 0.040) 5.510 10.316 ( -10.573 1.267 -1.084) 10.704 11.315 ( 21.228 0.911 -3.317) 21.504 11.560 ( 1.400 -2.581 4.381) 5.274 14.704 ( -13.825 -0.936 -1.049) 13.896 ======================= Grid point 426 (168/489) ======================= q-point: (-0.29 -0.59 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.065 ( 2.712 0.600 0.311) 2.795 4.487 ( 6.504 1.549 -3.078) 7.360 4.573 ( 8.671 -1.974 5.581) 10.500 5.018 ( -9.414 6.291 -5.256) 12.483 5.241 ( 18.159 -5.600 3.870) 19.393 5.791 ( -17.086 -0.527 -1.188) 17.135 9.470 ( 3.811 -0.063 0.127) 3.814 10.040 ( 5.397 -1.362 -1.282) 5.712 10.143 ( -9.432 2.349 1.422) 9.824 11.497 ( -1.715 -0.099 -1.429) 2.234 11.682 ( 12.237 -0.570 1.347) 12.324 14.515 ( -6.413 0.619 0.030) 6.443 ======================= Grid point 427 (169/489) ======================= q-point: (-0.24 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( 1.399 1.381 0.680) 2.080 4.502 ( -1.134 -1.779 -0.499) 2.168 4.663 ( -0.563 -13.405 0.189) 13.418 4.901 ( -1.292 7.010 1.304) 7.246 5.408 ( -4.829 -11.413 1.148) 12.446 5.619 ( 3.578 12.363 -2.459) 13.103 9.483 ( -1.032 -1.654 0.119) 1.953 9.991 ( -3.936 -1.899 0.060) 4.370 10.213 ( 7.673 5.075 0.213) 9.202 11.377 ( -6.017 -9.320 -1.058) 11.144 11.792 ( -0.230 0.973 0.959) 1.385 14.518 ( 3.621 4.448 0.035) 5.735 ======================= Grid point 428 (170/489) ======================= q-point: (-0.18 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( -0.762 2.655 1.410) 3.101 4.342 ( -11.831 -10.002 1.780) 15.594 4.458 ( -5.079 -11.004 -4.417) 12.899 4.946 ( -0.050 -4.557 1.919) 4.945 5.259 ( -3.480 6.168 2.131) 7.396 5.823 ( 5.494 7.247 -2.168) 9.349 9.422 ( -7.047 3.967 0.325) 8.093 9.924 ( -1.693 -3.644 0.567) 4.058 10.419 ( 11.067 3.442 -1.935) 11.750 11.114 ( -6.937 -17.668 -1.272) 19.024 11.741 ( -5.773 0.377 2.746) 6.404 14.692 ( 8.487 7.435 -1.145) 11.341 ======================= Grid point 429 (171/489) ======================= q-point: (-0.12 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.144 ( -3.704 4.129 2.135) 5.944 4.010 ( -14.428 -10.136 1.516) 17.697 4.164 ( -11.219 -15.031 -3.708) 19.119 4.923 ( 3.221 -2.600 -1.939) 4.571 5.336 ( -0.459 8.527 3.931) 9.400 5.916 ( -1.652 5.904 -1.222) 6.252 9.329 ( -11.191 9.160 -0.615) 14.475 9.808 ( -8.447 -4.944 -0.369) 9.794 10.644 ( 14.010 -0.084 -4.513) 14.719 10.859 ( 0.016 -17.185 1.183) 17.226 11.654 ( -2.676 -3.702 4.074) 6.120 14.911 ( 7.689 8.020 -2.508) 11.390 ======================= Grid point 430 (172/489) ======================= q-point: (-0.06 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( -7.050 5.663 2.314) 9.334 3.658 ( -16.138 -8.208 1.499) 18.167 3.820 ( -10.149 -11.799 -3.106) 15.870 4.975 ( 5.986 -1.769 -6.218) 8.811 5.395 ( -3.700 7.100 3.910) 8.910 5.886 ( -8.215 5.949 1.729) 10.289 9.213 ( -12.876 10.273 -2.113) 16.607 9.531 ( -15.680 -5.103 -2.041) 16.616 10.758 ( 2.868 -5.724 -0.670) 6.437 10.901 ( 17.227 -5.724 -3.601) 18.507 11.639 ( 8.080 -10.037 6.647) 14.498 15.082 ( 4.330 6.617 -3.576) 8.678 ======================= Grid point 439 (173/489) ======================= q-point: ( 0.47 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( -0.000 1.271 0.375) 1.325 3.292 ( -0.000 5.985 1.466) 6.162 3.536 ( -0.000 3.616 -2.072) 4.167 4.532 ( -0.000 0.251 -4.859) 4.866 5.589 ( -0.000 4.206 1.192) 4.372 6.314 ( -0.000 13.030 2.495) 13.267 9.160 ( -0.000 6.505 -0.823) 6.557 9.286 ( -0.000 6.614 -7.639) 10.104 10.470 ( 0.000 -4.304 0.511) 4.335 10.800 ( -0.000 3.596 0.785) 3.680 11.698 ( 0.000 -22.899 2.907) 23.082 15.450 ( -0.000 2.019 -2.501) 3.214 ======================= Grid point 440 (174/489) ======================= q-point: ( 0.53 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( 1.424 0.661 1.005) 1.864 3.422 ( 8.765 3.428 1.102) 9.476 3.662 ( 11.075 3.387 -1.454) 11.672 4.525 ( 0.310 0.229 -2.259) 2.292 5.602 ( -2.653 2.347 0.642) 3.600 6.409 ( -2.375 8.466 0.890) 8.838 9.283 ( 1.550 6.515 -2.032) 6.998 9.350 ( 9.290 3.748 -3.825) 10.723 10.456 ( 0.681 -0.099 2.069) 2.181 10.824 ( -1.109 0.402 0.183) 1.193 11.514 ( 1.830 -16.352 1.262) 16.502 15.398 ( -7.167 1.528 -2.020) 7.602 ======================= Grid point 441 (175/489) ======================= q-point: ( 0.59 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( 2.629 0.375 1.625) 3.114 3.654 ( 14.462 1.468 0.903) 14.565 3.964 ( 20.062 2.779 -1.086) 20.282 4.532 ( 0.291 0.622 0.139) 0.701 5.546 ( -5.523 0.360 0.208) 5.539 6.399 ( -5.892 3.547 -0.655) 6.909 9.318 ( -1.150 5.301 -0.942) 5.505 9.632 ( 16.379 1.371 -0.587) 16.447 10.528 ( 3.642 7.071 0.819) 7.996 10.748 ( -1.121 -9.163 -0.605) 9.251 11.467 ( 4.454 -5.727 1.063) 7.332 15.226 ( -13.143 0.895 -1.516) 13.261 ======================= Grid point 442 (176/489) ======================= q-point: (-0.35 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 3.191 0.053 1.680) 3.607 3.941 ( 17.204 -0.317 0.767) 17.224 4.372 ( 24.410 0.655 -1.255) 24.451 4.547 ( 0.049 1.377 2.368) 2.740 5.421 ( -8.397 -1.180 -0.379) 8.488 6.271 ( -10.049 -0.424 -1.769) 10.212 9.353 ( 1.116 1.085 1.120) 1.918 9.854 ( 8.343 0.113 -0.260) 8.347 10.517 ( -10.347 0.817 -0.109) 10.380 10.886 ( 23.468 0.149 -0.930) 23.487 11.514 ( 3.267 -1.401 1.226) 3.760 14.972 ( -16.103 0.899 -0.636) 16.141 ======================= Grid point 443 (177/489) ======================= q-point: (-0.29 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.016 ( 3.432 -0.070 1.350) 3.689 4.225 ( 16.792 -3.309 0.451) 17.121 4.543 ( 0.123 -1.153 2.611) 2.857 4.807 ( 23.552 -1.864 0.834) 23.641 5.241 ( -10.518 -0.009 -1.938) 10.695 6.047 ( -13.188 -1.551 -2.212) 13.461 9.374 ( 3.258 -5.264 0.721) 6.232 9.962 ( 4.408 1.397 -0.930) 4.717 10.349 ( -9.866 2.183 2.304) 10.364 11.334 ( 23.403 3.497 -2.270) 23.771 11.522 ( -0.563 -3.872 1.318) 4.128 14.720 ( -13.828 2.689 0.588) 14.100 ======================= Grid point 444 (178/489) ======================= q-point: (-0.24 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( 3.459 0.288 1.047) 3.625 4.416 ( 10.697 -8.918 -0.676) 13.943 4.516 ( -1.383 -5.103 3.723) 6.466 5.008 ( -0.938 -8.721 5.528) 10.368 5.194 ( 9.230 4.376 -6.683) 12.206 5.824 ( -10.394 3.638 -2.139) 11.218 9.377 ( 5.388 -8.010 0.009) 9.654 10.011 ( 0.628 -1.648 -2.622) 3.160 10.277 ( -4.860 8.842 5.232) 11.365 11.398 ( -6.858 -8.492 -0.546) 10.929 11.675 ( 12.996 0.123 -1.279) 13.059 14.596 ( -5.391 6.585 1.332) 8.614 ======================= Grid point 445 (179/489) ======================= q-point: (-0.18 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( 2.892 1.196 0.979) 3.279 4.360 ( -3.070 -16.427 1.177) 16.753 4.402 ( -3.410 -9.451 -0.216) 10.050 4.927 ( -1.734 -4.886 3.762) 6.406 5.309 ( 2.894 2.627 -2.727) 4.766 5.823 ( 2.455 8.606 -2.218) 9.220 9.420 ( 7.060 -4.574 0.461) 8.425 9.940 ( -4.160 -3.233 -0.978) 5.358 10.368 ( 1.969 8.903 2.910) 9.571 11.114 ( -11.825 -14.242 -1.106) 18.544 11.772 ( 0.959 -3.099 -0.389) 3.268 14.674 ( 3.560 9.971 0.742) 10.613 ======================= Grid point 446 (180/489) ======================= q-point: (-0.12 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( 1.219 2.508 1.071) 2.987 4.092 ( -8.760 -14.534 1.058) 17.003 4.165 ( -8.295 -16.138 -1.299) 18.192 4.872 ( -0.493 -2.682 1.220) 2.987 5.402 ( 2.652 6.473 0.305) 7.002 5.956 ( 3.233 6.139 -1.679) 7.139 9.521 ( 3.039 4.702 0.708) 5.643 9.812 ( -4.120 -7.514 -0.198) 8.571 10.510 ( 4.782 6.082 0.037) 7.737 10.754 ( -9.696 -15.669 -0.552) 18.435 11.680 ( -4.717 -6.854 0.631) 8.344 14.876 ( 6.631 10.520 -0.395) 12.442 ======================= Grid point 447 (181/489) ======================= q-point: (-0.06 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.239 ( -1.629 4.021 1.064) 4.467 3.799 ( -10.909 -11.288 1.563) 15.775 3.842 ( -8.585 -14.335 -2.331) 16.871 4.868 ( 2.264 -1.430 -1.978) 3.329 5.500 ( 0.477 6.000 1.372) 6.174 6.024 ( -1.280 4.595 0.364) 4.784 9.530 ( -11.603 6.867 0.798) 13.506 9.666 ( -4.789 -3.923 -3.511) 7.117 10.564 ( 6.672 -12.817 2.502) 14.665 10.652 ( 6.088 2.830 -2.040) 7.017 11.516 ( -3.279 -10.756 1.378) 11.329 15.075 ( 4.822 8.692 -1.121) 10.003 ======================= Grid point 457 (182/489) ======================= q-point: ( 0.53 0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( 0.000 0.235 2.169) 2.182 3.371 ( 0.000 1.465 0.823) 1.681 3.585 ( -0.000 1.922 -0.839) 2.097 4.523 ( -0.000 0.762 0.025) 0.762 5.644 ( -0.000 1.050 -0.160) 1.062 6.494 ( -0.000 4.060 -0.559) 4.098 9.241 ( -0.000 2.169 -0.031) 2.169 9.363 ( -0.000 4.789 -1.890) 5.149 10.454 ( 0.000 -0.495 1.838) 1.903 10.859 ( -0.000 1.518 -0.023) 1.518 11.352 ( 0.000 -10.412 -0.366) 10.418 15.470 ( -0.000 1.195 -1.609) 2.004 ======================= Grid point 458 (183/489) ======================= q-point: (-0.41 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( 1.419 -0.003 3.100) 3.409 3.457 ( 8.730 -0.387 0.675) 8.765 3.697 ( 11.496 0.609 -0.378) 11.518 4.541 ( 0.251 1.504 2.324) 2.780 5.619 ( -2.948 -0.511 -0.836) 3.107 6.483 ( -2.671 -0.726 -2.026) 3.430 9.363 ( 8.683 -0.913 -0.465) 8.744 9.400 ( 2.308 4.702 3.568) 6.337 10.465 ( 3.006 -2.032 -0.425) 3.653 10.809 ( -5.822 0.106 -0.578) 5.852 11.345 ( 4.842 -0.345 -0.454) 4.875 15.411 ( -7.299 0.687 -1.268) 7.440 ======================= Grid point 459 (184/489) ======================= q-point: (-0.35 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( 2.392 -0.664 2.971) 3.871 3.652 ( 14.509 -2.245 0.704) 14.698 3.972 ( 20.023 -1.500 -0.225) 20.080 4.574 ( 0.064 2.162 4.400) 4.903 5.528 ( -5.774 -1.734 -1.683) 6.260 6.375 ( -5.662 -4.750 -3.154) 8.035 9.361 ( -1.823 -2.800 3.227) 4.645 9.651 ( 15.063 0.257 1.441) 15.134 10.513 ( 5.628 -6.263 -0.757) 8.454 10.750 ( -1.434 8.617 -0.315) 8.741 11.451 ( 4.207 3.583 -0.599) 5.559 15.236 ( -12.889 0.737 -0.570) 12.922 ======================= Grid point 460 (185/489) ======================= q-point: (-0.29 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( 3.249 -1.451 2.058) 4.110 3.893 ( 16.589 -4.991 0.623) 17.335 4.311 ( 21.303 -5.974 0.104) 22.125 4.618 ( 1.122 2.827 6.011) 6.736 5.385 ( -7.618 -1.331 -3.063) 8.318 6.184 ( -8.118 -6.594 -3.565) 11.050 9.287 ( -0.883 -8.068 1.809) 8.315 9.854 ( 8.978 -2.530 -0.379) 9.336 10.496 ( -3.117 1.243 3.943) 5.178 10.995 ( 17.552 6.576 -0.561) 18.752 11.524 ( -0.197 3.987 -1.831) 4.392 15.003 ( -14.775 2.153 0.689) 14.947 ======================= Grid point 461 (186/489) ======================= q-point: (-0.24 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( 4.270 -1.839 1.008) 4.757 4.098 ( 14.279 -9.740 0.267) 17.286 4.466 ( 4.618 -10.002 3.261) 11.489 4.769 ( 11.675 -1.103 5.476) 12.943 5.251 ( -5.466 2.561 -5.603) 8.236 5.970 ( -7.593 -4.579 -3.186) 9.422 9.207 ( 2.661 -10.353 0.293) 10.694 9.918 ( 4.887 -6.520 -2.608) 8.556 10.496 ( -5.581 10.126 8.208) 14.179 11.311 ( 12.036 -8.883 3.126) 15.282 11.541 ( 0.092 10.593 -6.966) 12.679 14.811 ( -11.041 5.330 2.113) 12.441 ======================= Grid point 462 (187/489) ======================= q-point: (-0.18 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.075 ( 5.225 -1.583 0.174) 5.463 4.156 ( 6.508 -15.688 -0.430) 16.990 4.364 ( -2.900 -13.916 3.931) 14.748 4.896 ( 2.732 -3.286 6.363) 7.665 5.257 ( 3.609 4.860 -6.884) 9.167 5.860 ( -0.849 0.558 -2.451) 2.653 9.200 ( 8.158 -9.016 0.429) 12.166 9.894 ( 2.522 -9.101 -2.503) 9.770 10.542 ( -5.889 12.773 8.639) 16.506 11.190 ( -8.985 -11.211 0.289) 14.370 11.693 ( 4.610 4.296 -5.338) 8.259 14.769 ( -2.764 8.865 2.622) 9.649 ======================= Grid point 463 (188/489) ======================= q-point: (-0.12 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( 5.446 -0.717 -0.468) 5.513 4.021 ( -1.482 -17.299 -0.903) 17.385 4.132 ( -6.622 -17.257 2.884) 18.707 4.892 ( -2.159 0.043 4.432) 4.930 5.373 ( 5.849 4.006 -3.639) 7.968 5.919 ( 5.270 2.139 -1.837) 5.977 9.320 ( 13.796 -5.734 1.233) 14.991 9.807 ( -0.971 -10.650 -0.164) 10.695 10.594 ( -4.321 10.646 5.705) 12.828 10.875 ( -14.854 -7.137 -2.039) 16.605 11.689 ( -3.716 -3.201 -3.170) 5.840 14.890 ( 3.861 10.120 1.929) 11.002 ======================= Grid point 475 (189/489) ======================= q-point: (-0.41 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( 0.000 -0.462 4.215) 4.240 3.366 ( 0.000 -2.367 0.288) 2.385 3.596 ( 0.000 -0.631 0.301) 0.700 4.570 ( 0.000 2.449 4.798) 5.387 5.629 ( -0.000 -1.981 -1.666) 2.589 6.465 ( -0.000 -5.592 -3.480) 6.586 9.250 ( 0.000 -1.586 0.915) 1.831 9.452 ( 0.000 1.161 7.176) 7.269 10.417 ( -0.000 -1.332 -1.898) 2.319 10.850 ( -0.000 -2.060 -0.953) 2.270 11.342 ( -0.000 9.318 -1.405) 9.423 15.475 ( -0.000 0.165 -1.177) 1.188 ======================= Grid point 476 (190/489) ======================= q-point: (-0.35 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( 0.992 -1.676 3.895) 4.355 3.413 ( 8.991 -4.420 0.213) 10.021 3.682 ( 10.864 -2.101 0.610) 11.082 4.618 ( -0.013 3.056 7.200) 7.822 5.570 ( -2.817 -3.340 -2.594) 5.082 6.355 ( -2.142 -9.906 -4.696) 11.170 9.305 ( 6.264 -5.199 0.811) 8.181 9.467 ( 2.660 -3.466 7.293) 8.501 10.438 ( 1.562 3.790 0.445) 4.123 10.815 ( -0.440 -0.547 -0.662) 0.965 11.477 ( 1.593 13.533 -2.586) 13.870 15.411 ( -6.864 0.097 -0.789) 6.910 ======================= Grid point 477 (191/489) ======================= q-point: (-0.29 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( 2.172 -3.351 2.360) 4.638 3.567 ( 14.325 -6.878 0.268) 15.893 3.907 ( 17.878 -4.952 0.666) 18.563 4.671 ( -0.399 2.953 9.026) 9.505 5.457 ( -4.791 -3.586 -3.715) 7.044 6.174 ( -3.608 -12.439 -5.272) 13.984 9.246 ( -2.978 -9.431 1.561) 10.012 9.587 ( 13.398 -9.000 1.469) 16.207 10.548 ( 2.216 8.897 5.749) 10.822 10.863 ( 5.512 2.339 1.055) 6.080 11.616 ( -0.948 14.464 -4.533) 15.188 15.252 ( -11.468 1.078 0.272) 11.522 ======================= Grid point 478 (192/489) ======================= q-point: (-0.24 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( 3.887 -4.602 0.693) 6.064 3.741 ( 15.038 -10.658 -0.120) 18.432 4.148 ( 16.396 -10.483 1.488) 19.518 4.727 ( 1.020 2.722 9.421) 9.859 5.329 ( -4.708 -1.633 -4.767) 6.896 5.969 ( -3.385 -11.949 -5.049) 13.406 9.097 ( -1.837 -10.535 0.202) 10.696 9.680 ( 10.094 -13.427 -1.872) 16.902 10.703 ( -0.807 13.013 10.961) 17.033 11.032 ( 11.209 -2.751 2.630) 11.837 11.702 ( -4.116 16.334 -7.956) 18.629 15.066 ( -11.998 3.367 1.999) 12.621 ======================= Grid point 479 (193/489) ======================= q-point: (-0.18 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( 5.933 -5.009 -0.574) 7.786 3.842 ( 11.209 -15.647 -0.848) 19.267 4.208 ( 4.857 -16.484 3.577) 17.553 4.841 ( 5.188 2.611 8.331) 10.156 5.254 ( -1.378 1.246 -5.560) 5.862 5.818 ( 0.260 -8.419 -4.355) 9.482 9.007 ( 3.340 -9.191 0.291) 9.784 9.674 ( 7.281 -15.429 -2.498) 17.242 10.828 ( -5.939 15.118 13.256) 20.966 11.115 ( 3.965 -11.026 2.210) 11.924 11.771 ( -3.836 16.804 -10.806) 20.343 14.948 ( -7.592 6.248 3.648) 10.488 ======================= Grid point 480 (194/489) ======================= q-point: (-0.12 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( 7.719 -4.505 -1.481) 9.060 3.803 ( 5.086 -18.918 -1.398) 19.640 4.052 ( -2.881 -18.002 3.938) 18.651 4.955 ( 0.474 3.144 8.336) 8.922 5.281 ( 4.931 1.550 -5.817) 7.782 5.797 ( 6.338 -5.091 -3.404) 8.813 9.044 ( 10.095 -6.996 1.504) 12.374 9.619 ( 5.525 -16.562 -0.779) 17.477 10.861 ( -9.594 9.010 10.905) 17.092 11.005 ( -5.719 -3.401 -0.018) 6.654 11.786 ( -7.322 9.676 -9.704) 15.537 14.961 ( -0.721 7.919 4.132) 8.962 ======================= Grid point 493 (195/489) ======================= q-point: (-0.35 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( 0.000 -3.317 3.785) 5.033 3.273 ( 0.000 -7.065 -0.490) 7.082 3.569 ( 0.000 -2.427 1.291) 2.749 4.678 ( 0.000 3.195 10.103) 10.596 5.543 ( -0.000 -4.950 -3.520) 6.074 6.231 ( -0.000 -14.528 -6.096) 15.755 9.179 ( 0.000 -6.545 1.144) 6.645 9.420 ( 0.000 -9.135 5.481) 10.653 10.522 ( 0.000 12.324 6.313) 13.847 10.781 ( 0.000 -3.564 -1.187) 3.756 11.625 ( -0.000 19.111 -4.748) 19.692 15.466 ( -0.000 -0.152 -0.855) 0.869 ======================= Grid point 494 (196/489) ======================= q-point: (-0.29 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( 0.592 -5.715 2.083) 6.111 3.274 ( 9.392 -9.665 -0.546) 13.488 3.628 ( 9.313 -3.722 1.348) 10.119 4.737 ( -0.373 1.739 12.209) 12.338 5.456 ( -2.069 -5.727 -4.273) 7.438 6.041 ( -0.863 -17.203 -7.003) 18.594 9.155 ( 3.750 -10.202 -0.129) 10.870 9.332 ( 2.627 -11.683 2.349) 12.203 10.666 ( -1.369 10.592 6.718) 12.617 10.812 ( 4.699 4.342 5.573) 8.485 11.797 ( -1.269 20.393 -7.224) 21.672 15.411 ( -5.960 0.463 -0.268) 5.984 ======================= Grid point 495 (197/489) ======================= q-point: (-0.24 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 2.555 -7.767 0.050) 8.177 3.369 ( 13.936 -12.929 -0.758) 19.026 3.793 ( 14.061 -6.852 1.263) 15.693 4.771 ( -0.323 -1.162 12.297) 12.356 5.346 ( -2.400 -5.104 -3.803) 6.803 5.833 ( -0.507 -16.381 -7.319) 17.949 9.042 ( -2.791 -10.309 -1.306) 10.760 9.334 ( 10.710 -15.530 -0.251) 18.867 10.767 ( 5.252 2.961 2.519) 6.534 11.005 ( 0.862 13.078 15.386) 20.211 11.931 ( -3.805 20.860 -10.402) 23.618 15.287 ( -9.388 2.104 1.284) 9.706 ======================= Grid point 496 (198/489) ======================= q-point: (-0.18 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 5.389 -8.803 -1.310) 10.404 3.460 ( 13.444 -17.040 -1.426) 21.752 3.929 ( 10.425 -12.152 2.044) 16.141 4.805 ( 3.369 -2.418 9.460) 10.329 5.263 ( -0.735 -3.988 -1.100) 4.202 5.670 ( 1.164 -12.060 -7.548) 14.275 8.905 ( -1.113 -7.927 -0.843) 8.049 9.341 ( 9.934 -18.301 -1.602) 20.885 10.905 ( 7.970 -2.878 1.806) 8.664 11.152 ( -5.667 13.886 18.173) 23.562 12.020 ( -5.970 21.531 -13.820) 26.272 15.161 ( -9.124 4.257 3.562) 10.680 ======================= Grid point 497 (199/489) ======================= q-point: (-0.12 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( 8.432 -8.570 -1.982) 12.185 3.470 ( 9.883 -20.427 -1.741) 22.759 3.899 ( 1.969 -15.813 3.099) 16.234 4.917 ( 8.320 -1.390 6.389) 10.581 5.239 ( 1.199 -1.974 1.831) 2.947 5.593 ( 4.882 -8.624 -7.975) 12.720 8.861 ( 4.152 -5.635 0.755) 7.040 9.311 ( 8.693 -18.859 -0.730) 20.779 10.930 ( 0.369 -8.013 0.753) 8.057 11.232 ( -7.804 15.065 16.874) 23.929 12.050 ( -9.607 19.241 -15.767) 26.666 15.098 ( -5.238 5.737 5.520) 9.530 ======================= Grid point 511 (200/489) ======================= q-point: (-0.29 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 0.000 -8.617 0.939) 8.668 3.074 ( 0.000 -12.386 -1.310) 12.455 3.519 ( 0.000 -3.555 1.683) 3.934 4.783 ( 0.000 -2.249 13.978) 14.157 5.388 ( -0.000 -8.840 -4.169) 9.773 5.842 ( -0.000 -17.519 -8.247) 19.363 8.991 ( 0.000 -12.885 0.454) 12.893 9.215 ( 0.000 -10.783 -0.833) 10.815 10.721 ( -0.000 -1.268 -0.507) 1.365 10.948 ( 0.000 20.163 18.988) 27.696 11.998 ( -0.000 22.317 -9.929) 24.426 15.465 ( -0.000 0.613 -0.375) 0.719 ======================= Grid point 512 (201/489) ======================= q-point: (-0.24 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 0.891 -11.332 -1.075) 11.418 3.017 ( 9.220 -15.358 -1.540) 17.979 3.552 ( 7.429 -4.788 1.452) 8.957 4.771 ( -0.102 -8.156 12.656) 15.057 5.254 ( 0.636 -16.467 -2.893) 16.732 5.674 ( -0.561 -8.941 -7.814) 11.887 8.898 ( 4.570 -15.177 -1.170) 15.893 9.107 ( 0.062 -9.234 -1.452) 9.347 10.726 ( 1.363 0.814 0.374) 1.631 11.225 ( 0.482 18.822 22.597) 29.413 12.169 ( -2.324 23.031 -12.888) 26.494 15.432 ( -4.769 1.627 0.510) 5.065 ======================= Grid point 513 (202/489) ======================= q-point: (-0.18 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( 3.977 -12.941 -2.430) 13.755 3.041 ( 13.048 -18.828 -2.077) 23.001 3.655 ( 9.845 -7.760 1.313) 12.604 4.717 ( 2.292 -11.271 8.642) 14.387 5.091 ( 5.315 -23.195 -0.962) 23.816 5.594 ( -2.206 0.969 -5.628) 6.122 8.817 ( 3.081 -12.673 -2.777) 13.334 9.036 ( 3.441 -10.782 -0.370) 11.324 10.786 ( 4.129 0.247 1.134) 4.289 11.446 ( -3.388 14.980 23.033) 27.684 12.296 ( -4.880 24.075 -15.739) 29.175 15.353 ( -7.240 3.196 2.624) 8.338 ======================= Grid point 514 (203/489) ======================= q-point: (-0.12 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 8.067 -13.119 -2.653) 15.628 3.056 ( 12.503 -21.681 -2.286) 25.132 3.702 ( 5.493 -11.698 1.911) 13.064 4.723 ( 8.727 -9.532 3.862) 13.489 5.004 ( 11.994 -23.272 1.821) 26.244 5.560 ( -4.004 5.237 -4.333) 7.889 8.755 ( 3.493 -8.782 -1.843) 9.630 8.997 ( 5.234 -12.422 0.636) 13.494 10.844 ( 2.526 -2.566 0.769) 3.682 11.559 ( -6.499 12.210 21.125) 25.250 12.370 ( -8.636 23.658 -18.203) 31.074 15.277 ( -7.026 4.411 5.411) 9.905 ======================= Grid point 529 (204/489) ======================= q-point: (-0.24 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 0.000 -14.999 -2.789) 15.256 2.763 ( 0.000 -17.578 -2.127) 17.706 3.448 ( 0.000 -4.487 1.415) 4.705 4.690 ( 0.000 -15.167 10.579) 18.492 4.990 ( 0.000 -29.972 -4.392) 30.292 5.639 ( -0.000 2.790 -3.961) 4.845 8.681 ( 0.000 -17.655 -0.289) 17.657 9.042 ( -0.000 -4.065 -3.466) 5.342 10.735 ( -0.000 2.686 0.312) 2.704 11.484 ( 0.000 17.095 26.257) 31.331 12.383 ( -0.000 24.579 -14.874) 28.729 15.490 ( -0.000 1.798 0.396) 1.841 ======================= Grid point 530 (205/489) ======================= q-point: (-0.18 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 2.243 -17.320 -4.266) 17.978 2.645 ( 8.464 -20.397 -2.610) 22.238 3.457 ( 5.594 -5.557 1.079) 7.958 4.556 ( 1.907 -19.628 8.222) 21.366 4.686 ( 4.917 -33.941 -4.959) 34.652 5.670 ( -1.766 6.889 -0.944) 7.174 8.547 ( 5.266 -18.534 -1.028) 19.295 8.999 ( -1.718 0.360 -2.779) 3.287 10.773 ( 0.405 3.540 0.812) 3.655 11.701 ( -1.630 11.428 25.309) 27.817 12.566 ( -2.814 26.601 -15.452) 30.891 15.482 ( -3.452 2.549 1.587) 4.575 ======================= Grid point 531 (206/489) ======================= q-point: (-0.12 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 6.759 -18.072 -4.250) 19.757 2.607 ( 12.345 -22.626 -2.797) 25.926 3.504 ( 6.190 -7.996 1.099) 10.172 4.450 ( 10.821 -26.306 5.304) 28.935 4.493 ( 9.646 -25.396 -3.783) 27.429 5.697 ( -3.696 7.775 0.264) 8.613 8.479 ( 8.356 -17.887 -1.596) 19.807 8.969 ( -3.364 3.302 -0.780) 4.778 10.817 ( 0.596 2.247 0.938) 2.507 11.812 ( -3.745 6.443 21.212) 22.483 12.705 ( -7.130 27.065 -15.531) 32.009 15.442 ( -5.319 3.431 4.070) 7.525 ======================= Grid point 547 (207/489) ======================= q-point: (-0.18 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 0.000 -20.794 -6.259) 21.716 2.347 ( 0.000 -22.400 -3.026) 22.603 3.360 ( 0.000 -5.013 0.812) 5.079 4.211 ( 0.000 -42.132 -0.940) 42.142 4.379 ( 0.000 -21.360 2.060) 21.460 5.761 ( -0.000 7.695 1.121) 7.776 8.312 ( 0.000 -18.368 -0.353) 18.371 9.039 ( -0.000 6.247 -3.170) 7.005 10.823 ( -0.000 5.544 0.590) 5.575 11.876 ( 0.000 5.018 22.875) 23.419 12.826 ( -0.000 29.102 -12.339) 31.610 15.537 ( 0.000 2.123 1.440) 2.565 ======================= Grid point 548 (208/489) ======================= q-point: (-0.12 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 4.253 -22.404 -6.719) 23.774 2.180 ( 8.442 -24.149 -3.223) 25.784 3.348 ( 3.917 -5.733 0.588) 6.968 3.850 ( 10.063 -44.082 -1.881) 45.255 4.202 ( 3.863 -20.914 2.079) 21.369 5.824 ( -1.864 7.200 1.603) 7.608 8.178 ( 5.045 -17.289 -0.505) 18.017 9.095 ( -2.808 10.721 -1.850) 11.236 10.869 ( -1.447 5.327 0.738) 5.569 11.946 ( -1.355 -0.621 17.453) 17.516 13.052 ( -4.513 29.477 -9.337) 31.248 15.545 ( -2.036 2.131 2.715) 4.008 ======================= Grid point 565 (209/489) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 0.000 -24.659 -8.374) 26.042 1.836 ( 0.000 -26.556 -3.752) 26.819 3.263 ( 0.000 -4.824 0.173) 4.827 3.277 ( 0.000 -49.518 -1.830) 49.552 3.954 ( 0.000 -22.367 2.044) 22.460 5.912 ( -0.000 6.058 1.595) 6.264 7.969 ( 0.000 -15.480 0.068) 15.480 9.253 ( -0.000 16.170 -0.876) 16.194 10.950 ( -0.000 6.476 0.423) 6.490 11.964 ( 0.000 -6.710 12.074) 13.813 13.371 ( -0.000 29.699 -4.092) 29.980 15.581 ( 0.000 0.715 2.517) 2.617 ======================= Grid point 620 (210/489) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 0.000 -0.000 23.620) 23.620 0.465 ( 0.000 -0.000 23.620) 23.620 0.938 ( 0.000 -0.000 48.152) 48.152 3.075 ( -0.000 0.000 -1.943) 1.943 3.075 ( -0.000 0.000 -1.943) 1.943 6.964 ( -0.000 0.000 -8.666) 8.666 7.501 ( 0.000 -0.000 0.732) 0.732 7.501 ( 0.000 -0.000 0.732) 0.732 11.192 ( -0.000 0.000 -0.557) 0.557 11.192 ( -0.000 0.000 -0.557) 0.557 14.538 ( 0.000 -0.000 1.767) 1.767 14.867 ( -0.000 0.000 -0.746) 0.746 ======================= Grid point 621 (211/489) ======================= q-point: ( 0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 19.642 11.341 14.066) 26.689 0.947 ( 15.688 9.057 25.221) 31.052 1.454 ( 34.139 19.710 25.804) 47.115 3.082 ( 1.492 0.862 -2.478) 3.018 3.208 ( 11.159 6.443 -1.503) 12.973 6.181 ( -13.303 -7.681 5.037) 16.166 7.566 ( 4.963 2.865 1.095) 5.834 9.421 ( 54.059 31.211 -49.159) 79.455 10.999 ( -5.990 -3.458 -10.752) 12.784 11.157 ( -2.776 -1.603 -0.645) 3.270 14.418 ( -10.536 -6.083 4.598) 13.006 15.177 ( 15.860 9.157 -15.030) 23.692 ======================= Grid point 622 (212/489) ======================= q-point: ( 0.24 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 22.968 13.260 8.025) 27.708 1.346 ( 13.920 8.037 22.312) 27.499 2.420 ( 41.640 24.041 10.582) 49.233 3.126 ( 3.015 1.741 -2.878) 4.517 3.551 ( 18.109 10.455 0.092) 20.910 5.996 ( -5.728 -3.307 -2.610) 7.111 7.734 ( 9.283 5.359 1.225) 10.789 9.667 ( -12.398 -7.158 -1.920) 14.444 11.066 ( -4.702 -2.715 -0.670) 5.471 11.131 ( 19.328 11.159 -34.965) 41.481 14.130 ( -15.809 -9.127 10.526) 21.071 15.347 ( 3.714 2.144 -14.324) 14.953 ======================= Grid point 623 (213/489) ======================= q-point: ( 0.29 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 15.845 9.148 14.104) 23.101 1.867 ( 22.125 12.774 5.298) 26.092 3.199 ( 4.026 2.325 -3.124) 5.601 3.379 ( 38.840 22.424 3.857) 45.014 4.008 ( 20.489 11.829 2.145) 23.756 5.859 ( -5.387 -3.110 -4.454) 7.650 7.995 ( 12.875 7.433 1.067) 14.905 9.276 ( -17.706 -10.222 2.327) 20.577 10.946 ( -5.248 -3.030 -0.578) 6.087 11.421 ( 12.618 7.285 -29.066) 32.514 13.776 ( -18.473 -10.666 16.503) 26.970 15.298 ( -3.085 -1.781 -14.291) 14.729 ======================= Grid point 624 (214/489) ======================= q-point: ( 0.35 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 16.858 9.733 7.428) 20.835 2.364 ( 19.541 11.282 3.814) 22.884 3.287 ( 4.394 2.537 -3.224) 6.011 4.204 ( 31.890 18.412 -2.634) 36.917 4.479 ( 19.030 10.987 4.263) 22.383 5.724 ( -4.995 -2.884 -2.558) 6.310 8.322 ( 14.900 8.602 0.641) 17.217 8.946 ( -10.367 -5.985 -0.005) 11.971 10.833 ( -4.241 -2.449 -0.315) 4.908 11.499 ( 1.425 0.823 -23.161) 23.220 13.376 ( -21.669 -12.511 19.237) 31.562 15.164 ( -3.626 -2.093 -13.222) 13.869 ======================= Grid point 625 (215/489) ======================= q-point: ( 0.41 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 15.991 9.232 2.831) 18.681 2.784 ( 15.965 9.218 2.922) 18.665 3.376 ( 4.083 2.357 -3.193) 5.694 4.766 ( 16.747 9.669 -11.694) 22.598 4.910 ( 17.336 10.009 5.685) 20.809 5.652 ( -0.006 -0.003 4.441) 4.441 8.667 ( 14.491 8.366 0.012) 16.732 8.820 ( -0.089 -0.051 -2.208) 2.210 10.759 ( -2.028 -1.171 0.144) 2.346 11.365 ( -6.490 -3.747 -18.699) 20.145 12.876 ( -26.759 -15.450 16.104) 34.844 15.087 ( 0.296 0.171 -8.566) 8.573 ======================= Grid point 626 (216/489) ======================= q-point: ( 0.47 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 13.131 7.581 -0.476) 15.170 3.115 ( 11.938 6.892 2.351) 13.983 3.450 ( 3.120 1.801 -3.032) 4.709 4.910 ( 1.134 0.655 -13.351) 13.415 5.265 ( 11.932 6.889 2.411) 13.987 5.794 ( 9.075 5.240 9.795) 14.344 8.925 ( 9.738 5.622 -3.878) 11.894 8.970 ( 11.555 6.672 -0.671) 13.360 10.742 ( 0.373 0.215 0.719) 0.838 11.121 ( -9.487 -5.477 -13.900) 17.697 12.258 ( -29.754 -17.178 10.525) 35.933 15.117 ( 3.453 1.994 -3.119) 5.062 ======================= Grid point 627 (217/489) ======================= q-point: ( 0.53 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( 8.569 4.947 -3.382) 10.456 3.349 ( 7.793 4.499 1.859) 9.188 3.496 ( 1.614 0.932 -2.647) 3.237 4.840 ( -2.245 -1.296 -9.668) 10.009 5.486 ( 6.905 3.987 0.862) 8.020 6.033 ( 7.675 4.431 8.858) 12.530 9.185 ( 7.226 4.172 -1.131) 8.420 9.226 ( 17.105 9.875 -5.433) 20.484 10.770 ( 1.431 0.826 1.154) 2.016 10.852 ( -11.284 -6.515 -7.782) 15.177 11.631 ( -25.041 -14.458 5.957) 29.522 15.201 ( 3.682 2.126 0.432) 4.274 ======================= Grid point 628 (218/489) ======================= q-point: ( 0.59 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.264 ( 2.692 1.554 -5.938) 6.702 3.470 ( 1.235 0.713 -0.780) 1.625 3.521 ( 2.168 1.252 0.098) 2.505 4.797 ( 1.181 0.682 -5.422) 5.591 5.587 ( 1.812 1.046 -0.789) 2.236 6.170 ( 1.536 0.887 7.856) 8.054 9.296 ( 2.780 1.605 -1.140) 3.406 9.642 ( 19.160 11.062 -7.454) 23.346 10.517 ( -15.967 -9.218 0.275) 18.439 10.798 ( 0.417 0.241 1.200) 1.293 11.246 ( -8.159 -4.711 1.964) 9.624 15.274 ( 2.035 1.175 2.374) 3.340 ======================= Grid point 629 (219/489) ======================= q-point: (-0.35 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.236 ( -3.211 -1.854 -6.957) 7.883 3.425 ( -3.842 -2.218 -1.754) 4.771 3.572 ( 1.102 0.636 1.327) 1.838 4.872 ( 6.367 3.676 -2.915) 7.909 5.563 ( -3.565 -2.058 -1.609) 4.420 6.145 ( -5.861 -3.384 7.057) 9.778 9.306 ( -1.688 -0.975 -0.720) 2.078 9.789 ( -10.982 -6.341 -1.541) 12.774 10.426 ( 15.419 8.902 -3.390) 18.125 10.789 ( -1.444 -0.834 0.827) 1.862 11.234 ( 5.156 2.977 1.643) 6.176 15.309 ( 0.292 0.169 3.827) 3.842 ======================= Grid point 630 (220/489) ======================= q-point: (-0.29 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( -8.044 -4.644 -5.881) 10.993 3.288 ( -7.709 -4.451 -1.133) 8.973 3.575 ( -1.130 -0.652 1.079) 1.693 5.056 ( 9.966 5.754 -3.340) 11.982 5.417 ( -8.592 -4.961 -0.882) 9.960 5.943 ( -13.493 -7.790 6.414) 16.849 9.209 ( -6.729 -3.885 -0.111) 7.770 9.430 ( -16.419 -9.480 3.990) 19.375 10.747 ( -1.974 -1.140 0.219) 2.290 10.927 ( 25.818 14.906 -8.810) 31.087 11.443 ( 11.548 6.667 1.715) 13.445 15.323 ( -0.027 -0.015 5.419) 5.419 ======================= Grid point 631 (221/489) ======================= q-point: (-0.24 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( -12.312 -7.108 -3.389) 14.615 3.060 ( -11.900 -6.871 -0.368) 13.746 3.532 ( -2.776 -1.603 0.813) 3.307 5.152 ( -11.190 -6.461 -6.100) 14.289 5.294 ( 7.453 4.303 -1.404) 8.719 5.573 ( -19.330 -11.160 8.510) 23.887 8.993 ( -11.917 -6.880 0.318) 13.764 9.120 ( -11.175 -6.452 5.033) 13.850 10.718 ( -0.230 -0.133 -0.299) 0.400 11.510 ( 27.256 15.736 -10.797) 33.273 11.729 ( 11.940 6.893 1.340) 13.852 15.356 ( 1.465 0.846 6.670) 6.881 ======================= Grid point 632 (222/489) ======================= q-point: (-0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( -16.356 -9.443 -0.167) 18.887 2.737 ( -16.113 -9.303 0.570) 18.614 3.456 ( -3.846 -2.220 0.557) 4.475 4.810 ( -16.845 -9.726 -1.437) 19.504 4.965 ( -27.864 -16.087 -1.692) 32.219 5.570 ( 8.992 5.191 2.542) 10.690 8.675 ( -15.392 -8.887 0.350) 17.777 8.966 ( -3.142 -1.814 4.350) 5.664 10.743 ( 2.567 1.482 -0.510) 3.008 11.949 ( 9.318 5.380 -12.445) 16.451 12.127 ( 26.164 15.106 2.572) 30.320 15.434 ( 3.321 1.917 6.137) 7.236 ======================= Grid point 633 (223/489) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( -19.661 -11.351 3.534) 22.976 2.324 ( -19.958 -11.523 1.850) 23.119 3.362 ( -4.328 -2.499 0.247) 5.004 4.195 ( -36.737 -21.210 1.613) 42.451 4.407 ( -18.984 -10.960 -3.165) 22.148 5.768 ( 7.557 4.363 -0.348) 8.733 8.310 ( -15.811 -9.129 0.124) 18.258 9.011 ( 6.051 3.493 2.761) 7.513 10.829 ( 4.786 2.763 -0.492) 5.548 12.042 ( 1.823 1.053 -10.033) 10.252 12.751 ( 27.045 15.615 1.682) 31.274 15.530 ( 3.300 1.905 2.912) 4.796 ======================= Grid point 638 (224/489) ======================= q-point: ( 0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 0.000 22.610 15.697) 27.525 1.026 ( 0.000 25.407 19.874) 32.257 1.502 ( 0.000 30.582 31.003) 43.548 3.090 ( -0.000 2.454 -2.278) 3.348 3.181 ( -0.000 11.756 -2.357) 11.990 6.191 ( 0.000 -17.434 3.970) 17.880 7.552 ( -0.000 5.056 0.682) 5.102 9.235 ( -0.000 62.318 -43.271) 75.868 11.052 ( -0.000 -1.407 -10.622) 10.715 11.155 ( 0.000 -3.211 -0.678) 3.281 14.419 ( 0.000 -13.463 4.651) 14.244 15.119 ( -0.000 16.744 -12.635) 20.977 ======================= Grid point 639 (225/489) ======================= q-point: ( 0.24 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 9.387 24.096 11.201) 28.181 1.372 ( 5.934 15.750 23.959) 29.280 2.173 ( 24.644 37.283 14.348) 46.939 3.118 ( 0.836 4.010 -2.718) 4.916 3.415 ( 11.039 14.902 -1.116) 18.579 6.024 ( -3.919 -7.368 -2.078) 8.600 7.672 ( 5.720 7.609 1.020) 9.574 9.629 ( 6.093 1.041 -11.171) 12.767 10.977 ( -2.395 8.924 -20.444) 22.435 11.136 ( 0.087 5.051 -9.415) 10.685 14.221 ( -6.648 -17.079 8.682) 20.280 15.273 ( 4.418 8.022 -14.046) 16.768 ======================= Grid point 640 (226/489) ======================= q-point: ( 0.29 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 9.023 14.147 18.751) 25.163 1.751 ( 13.933 22.031 7.476) 27.118 3.052 ( 30.851 32.598 5.163) 45.179 3.182 ( 2.027 5.669 -3.011) 6.732 3.817 ( 17.018 15.256 1.445) 22.901 5.887 ( -4.019 -4.825 -4.832) 7.924 7.898 ( 9.369 10.504 1.269) 14.132 9.432 ( -12.523 -15.002 2.868) 19.751 10.948 ( -0.726 -4.347 -4.296) 6.155 11.263 ( 6.809 15.794 -28.190) 33.022 13.929 ( -10.433 -18.304 13.963) 25.275 15.297 ( -1.873 1.853 -14.290) 14.531 ======================= Grid point 641 (227/489) ======================= q-point: ( 0.35 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 11.284 13.118 11.579) 20.820 2.239 ( 14.935 20.177 5.249) 25.646 3.270 ( 2.246 6.824 -3.220) 7.873 3.880 ( 29.290 25.724 -1.912) 39.029 4.285 ( 18.598 13.707 4.590) 23.555 5.757 ( -4.023 -3.929 -4.202) 7.020 8.205 ( 11.729 12.980 1.271) 17.541 9.074 ( -12.681 -10.334 1.674) 16.444 10.865 ( -2.607 -3.648 -1.028) 4.600 11.389 ( 4.189 4.696 -24.906) 25.689 13.586 ( -13.848 -19.058 17.639) 29.429 15.187 ( -5.284 -0.234 -13.932) 14.903 ======================= Grid point 642 (228/489) ======================= q-point: ( 0.41 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 12.884 11.499 5.609) 18.157 2.688 ( 12.835 18.294 3.969) 22.697 3.369 ( 1.780 7.681 -3.313) 8.552 4.517 ( 21.232 15.062 -9.631) 27.757 4.745 ( 17.061 12.440 6.819) 22.189 5.665 ( -1.479 -1.779 0.549) 2.377 8.553 ( 11.909 13.962 1.112) 18.385 8.848 ( -5.055 -3.050 -0.725) 5.948 10.794 ( -2.604 -0.760 -0.310) 2.731 11.335 ( -2.095 -3.858 -20.431) 20.897 13.160 ( -19.730 -20.000 16.355) 32.508 15.070 ( -2.399 -0.108 -10.383) 10.657 ======================= Grid point 643 (229/489) ======================= q-point: ( 0.47 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 12.496 8.744 1.333) 15.310 3.065 ( 9.190 16.719 2.904) 19.298 3.459 ( 0.700 8.017 -3.259) 8.682 4.815 ( 7.219 3.454 -13.286) 15.510 5.137 ( 12.888 9.155 4.013) 16.310 5.726 ( 6.724 3.316 7.613) 10.685 8.814 ( 6.057 2.945 -1.042) 6.816 8.913 ( 8.182 14.228 -0.864) 16.435 10.762 ( -1.540 1.411 0.160) 2.095 11.144 ( -5.872 -7.162 -15.936) 18.432 12.605 ( -26.194 -19.484 11.146) 34.496 15.051 ( 2.959 -0.281 -4.654) 5.522 ======================= Grid point 644 (230/489) ======================= q-point: ( 0.53 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.022 ( 10.061 5.377 -2.142) 11.607 3.352 ( 4.674 14.977 2.003) 15.817 3.528 ( -0.858 7.967 -2.958) 8.542 4.822 ( -0.633 -0.952 -11.458) 11.515 5.397 ( 8.456 4.470 2.304) 9.838 5.952 ( 9.641 4.166 8.829) 13.721 9.018 ( 13.445 6.352 -3.139) 15.197 9.177 ( 5.045 14.154 -0.977) 15.058 10.757 ( -0.341 -0.308 -0.174) 0.491 10.921 ( -7.104 -5.750 -9.775) 13.382 11.979 ( -27.734 -14.954 6.382) 32.149 15.117 ( 5.873 -1.565 -0.301) 6.086 ======================= Grid point 645 (231/489) ======================= q-point: ( 0.59 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.184 ( 5.670 1.673 -5.352) 7.975 3.532 ( -0.822 12.214 0.497) 12.252 3.572 ( -1.897 8.353 -1.465) 8.690 4.770 ( -0.048 -0.103 -7.519) 7.520 5.538 ( 4.421 0.538 0.532) 4.485 6.143 ( 5.554 0.940 8.278) 10.013 9.333 ( 4.436 10.878 -0.641) 11.765 9.382 ( 14.562 9.190 -5.988) 18.231 10.673 ( -9.233 -6.495 -4.480) 12.145 10.758 ( -1.410 -4.098 2.126) 4.827 11.476 ( -18.938 -2.810 2.597) 19.320 15.200 ( 5.824 -3.244 2.033) 6.970 ======================= Grid point 646 (232/489) ======================= q-point: (-0.35 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.212 ( 0.213 -2.008 -7.149) 7.429 3.548 ( -6.537 8.047 -2.363) 10.633 3.642 ( -2.702 9.735 1.572) 10.225 4.796 ( 4.287 2.291 -4.786) 6.822 5.563 ( -0.010 -3.054 -0.637) 3.120 6.199 ( -1.121 -2.936 7.784) 8.395 9.400 ( -4.889 8.517 -0.981) 9.870 9.722 ( 12.517 0.816 -6.786) 14.261 10.407 ( -8.452 -0.760 1.604) 8.636 10.747 ( 3.689 -4.270 1.206) 5.771 11.306 ( -5.934 7.522 0.543) 9.597 15.259 ( 4.374 -4.460 3.365) 7.096 ======================= Grid point 647 (233/489) ======================= q-point: (-0.29 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( -4.514 -4.648 -6.537) 9.204 3.464 ( -10.752 6.205 -2.022) 12.577 3.667 ( -5.112 7.891 1.370) 9.502 4.928 ( 8.668 4.105 -4.871) 10.757 5.475 ( -4.603 -5.924 -0.181) 7.504 6.091 ( -8.842 -6.446 7.295) 13.151 9.333 ( -8.679 1.754 -0.527) 8.870 9.615 ( -12.981 -7.949 1.181) 15.267 10.582 ( 16.900 7.756 -5.495) 19.390 10.800 ( 4.225 3.979 0.090) 5.805 11.378 ( 4.281 8.378 1.108) 9.474 15.290 ( 3.278 -4.500 4.513) 7.166 ======================= Grid point 648 (234/489) ======================= q-point: (-0.24 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.931 ( -8.659 -6.166 -4.351) 11.486 3.283 ( -15.178 3.348 -1.035) 15.578 3.636 ( -6.728 5.926 0.859) 9.007 5.110 ( 7.911 2.881 -11.105) 13.936 5.306 ( -6.348 -6.019 4.914) 10.033 5.813 ( -16.616 -9.256 7.423) 20.417 9.137 ( -11.039 -5.507 1.115) 12.386 9.312 ( -15.245 -3.179 3.039) 15.867 10.726 ( 0.278 0.896 -0.602) 1.114 11.168 ( 24.015 14.490 -11.492) 30.311 11.602 ( 11.092 6.496 3.485) 13.318 15.323 ( 3.540 -3.159 5.379) 7.173 ======================= Grid point 649 (235/489) ======================= q-point: (-0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( -13.126 -6.956 -1.335) 14.915 3.000 ( -19.193 -0.114 0.255) 19.195 3.563 ( -7.502 3.945 0.359) 8.484 4.965 ( -12.101 -8.036 -5.819) 15.648 5.251 ( -15.113 -6.338 -4.082) 16.889 5.504 ( -0.805 -1.755 9.671) 9.861 8.874 ( -14.039 -5.448 1.271) 15.112 9.058 ( -10.195 -2.928 3.423) 11.145 10.735 ( 0.018 2.327 -0.644) 2.415 11.677 ( 22.256 11.145 -23.853) 34.475 11.909 ( 16.331 6.385 14.215) 22.572 15.389 ( 4.646 -1.255 4.915) 6.878 ======================= Grid point 650 (236/489) ======================= q-point: (-0.12 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( -17.860 -7.349 2.276) 19.447 2.625 ( -22.443 -3.172 1.646) 22.725 3.462 ( -7.548 2.097 -0.094) 7.834 4.611 ( -17.462 -8.547 -1.983) 19.543 4.659 ( -34.161 -13.113 -0.545) 36.595 5.660 ( 8.940 2.810 0.959) 9.420 8.538 ( -18.286 -5.079 0.729) 18.993 8.971 ( 1.011 -0.459 2.977) 3.178 10.780 ( 2.795 2.323 -0.756) 3.712 11.922 ( 8.823 2.400 -19.577) 21.607 12.435 ( 26.473 11.238 10.731) 30.697 15.479 ( 4.842 -0.242 2.134) 5.297 ======================= Grid point 656 (237/489) ======================= q-point: ( 0.24 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 0.000 24.514 10.156) 26.535 1.573 ( 0.000 17.324 22.861) 28.684 2.430 ( -0.000 45.162 11.895) 46.702 3.140 ( -0.000 4.078 -2.698) 4.890 3.491 ( -0.000 19.757 -1.300) 19.800 5.970 ( -0.000 -7.582 -3.507) 8.354 7.713 ( -0.000 10.652 0.813) 10.683 9.547 ( -0.000 -4.383 -3.993) 5.929 11.060 ( 0.000 -5.637 -0.775) 5.690 11.131 ( -0.000 18.957 -31.337) 36.625 14.104 ( 0.000 -21.809 10.138) 24.051 15.283 ( -0.000 8.827 -13.458) 16.094 ======================= Grid point 657 (238/489) ======================= q-point: ( 0.29 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 6.340 21.871 11.991) 25.736 1.837 ( 4.266 18.058 15.628) 24.259 3.042 ( 14.620 41.695 4.832) 44.447 3.197 ( 2.177 5.693 -2.872) 6.738 3.771 ( 8.498 20.442 0.912) 22.157 5.869 ( -1.990 -5.874 -5.083) 8.018 7.888 ( 5.761 13.248 1.151) 14.493 9.425 ( -4.014 -14.783 3.448) 15.702 10.939 ( -4.280 -3.287 -4.707) 7.161 11.251 ( 3.321 13.747 -27.926) 31.303 13.879 ( -3.769 -23.573 13.409) 27.381 15.311 ( -0.986 4.849 -13.571) 14.445 ======================= Grid point 658 (239/489) ======================= q-point: ( 0.35 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 5.172 14.732 14.023) 20.986 2.252 ( 11.747 23.014 6.124) 26.555 3.297 ( 2.904 7.706 -3.006) 8.766 3.731 ( 19.756 32.504 -2.964) 38.152 4.174 ( 13.704 18.974 4.995) 23.932 5.759 ( -2.732 -4.528 -4.736) 7.099 8.173 ( 9.473 15.957 1.724) 18.637 9.164 ( -9.737 -12.639 3.051) 16.244 10.848 ( -1.093 -3.495 -2.773) 4.593 11.313 ( 1.907 5.237 -24.686) 25.307 13.596 ( -6.803 -24.284 16.201) 29.974 15.245 ( -5.200 1.931 -13.449) 14.548 ======================= Grid point 659 (240/489) ======================= q-point: ( 0.41 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 7.779 12.820 8.108) 17.047 2.702 ( 11.697 22.101 5.062) 25.513 3.421 ( 2.174 10.008 -3.295) 10.758 4.305 ( 18.365 18.529 -8.941) 27.578 4.633 ( 14.887 18.026 6.976) 24.398 5.670 ( -1.682 -2.371 -1.388) 3.221 8.527 ( 10.548 17.717 2.389) 20.757 8.918 ( -7.509 -5.202 0.483) 9.148 10.809 ( -0.103 -1.029 -1.246) 1.619 11.255 ( -1.110 -3.676 -20.992) 21.341 13.252 ( -11.069 -24.665 16.118) 31.475 15.112 ( -6.043 0.672 -11.478) 12.989 ======================= Grid point 660 (241/489) ======================= q-point: ( 0.47 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( 9.197 9.959 3.477) 13.995 3.116 ( 9.258 21.277 4.034) 23.552 3.544 ( 0.556 11.841 -3.545) 12.373 4.658 ( 11.421 6.313 -11.161) 17.172 5.043 ( 11.540 12.790 4.040) 17.693 5.682 ( 3.636 2.061 4.664) 6.263 8.778 ( 1.226 2.409 1.064) 2.904 8.941 ( 7.552 17.909 0.233) 19.438 10.809 ( -0.892 2.667 -0.660) 2.889 11.087 ( -3.225 -8.666 -17.164) 19.496 12.810 ( -17.530 -23.412 12.174) 31.679 15.010 ( -1.716 -0.883 -6.959) 7.221 ======================= Grid point 661 (242/489) ======================= q-point: ( 0.53 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( 8.752 6.474 -0.331) 10.891 3.462 ( 5.166 20.279 3.148) 21.162 3.650 ( -1.542 13.105 -3.540) 13.662 4.765 ( 2.706 0.193 -11.404) 11.722 5.311 ( 7.978 5.708 3.098) 10.287 5.854 ( 8.832 3.892 7.416) 12.172 8.881 ( 7.864 5.096 -1.148) 9.441 9.263 ( 5.488 19.785 0.921) 20.552 10.779 ( -4.132 -2.588 -4.908) 6.919 10.926 ( -1.809 -2.443 -7.947) 8.508 12.277 ( -22.363 -18.337 6.970) 29.748 14.994 ( 3.809 -3.639 -2.213) 5.714 ======================= Grid point 662 (243/489) ======================= q-point: ( 0.59 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.086 ( 6.343 2.828 -3.770) 7.902 3.710 ( -0.018 16.978 2.216) 17.122 3.729 ( -3.813 15.689 -2.809) 16.388 4.744 ( 0.042 -0.152 -8.686) 8.687 5.462 ( 5.037 0.537 1.891) 5.407 6.055 ( 8.077 0.533 7.500) 11.035 9.135 ( 14.450 7.158 -2.694) 16.350 9.506 ( 0.054 18.002 0.262) 18.004 10.637 ( -1.353 -7.789 -6.154) 10.019 10.858 ( -7.458 1.050 0.079) 7.532 11.781 ( -19.588 -7.131 2.496) 20.994 15.038 ( 6.966 -6.520 0.839) 9.578 ======================= Grid point 663 (244/489) ======================= q-point: ( 0.65 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( 2.225 -0.422 -6.135) 6.539 3.762 ( -6.451 13.025 -2.929) 14.827 3.860 ( -5.052 17.761 2.519) 18.636 4.742 ( 2.131 1.558 -6.140) 6.684 5.509 ( 1.918 -3.798 0.424) 4.276 6.169 ( 3.731 -3.502 7.448) 9.036 9.461 ( 15.274 3.863 -5.312) 16.626 9.613 ( -5.316 13.674 0.225) 14.673 10.579 ( -0.524 -0.391 -1.409) 1.554 10.661 ( -9.287 -4.775 2.585) 10.758 11.524 ( -10.315 5.282 -0.757) 11.614 15.097 ( 7.562 -8.346 2.433) 11.522 ======================= Grid point 664 (245/489) ======================= q-point: (-0.29 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.119 ( -2.280 -2.558 -6.262) 7.138 3.732 ( -10.402 11.422 -2.897) 15.718 3.916 ( -8.731 15.846 2.484) 18.262 4.817 ( 6.055 2.872 -5.634) 8.755 5.460 ( -1.250 -6.997 0.280) 7.114 6.152 ( -2.746 -6.484 7.160) 10.043 9.481 ( -7.151 -4.108 -2.414) 8.593 9.715 ( -1.436 5.762 -0.515) 5.961 10.509 ( -0.992 9.230 -0.997) 9.336 10.710 ( 8.571 1.170 1.749) 8.825 11.466 ( -4.219 7.360 -1.554) 8.625 15.147 ( 7.021 -8.463 3.327) 11.489 ======================= Grid point 665 (246/489) ======================= q-point: (-0.24 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( -6.225 -3.525 -4.505) 8.454 3.605 ( -15.005 8.522 -2.050) 17.378 3.892 ( -11.359 12.976 1.675) 17.326 4.958 ( 8.604 2.770 -8.653) 12.514 5.340 ( -3.842 -7.879 2.949) 9.249 5.987 ( -10.408 -8.141 6.794) 14.858 9.252 ( -10.009 -8.694 0.735) 13.278 9.591 ( -15.095 2.851 1.413) 15.427 10.710 ( 6.566 9.685 -3.886) 12.330 10.931 ( 13.657 8.421 -2.589) 16.252 11.522 ( 4.690 4.720 0.387) 6.665 15.199 ( 6.747 -6.865 3.681) 10.306 ======================= Grid point 666 (247/489) ======================= q-point: (-0.18 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( -10.068 -3.767 -1.879) 10.913 3.368 ( -19.706 4.945 -0.504) 20.323 3.800 ( -12.203 9.044 0.569) 15.199 5.008 ( -2.540 -4.003 -11.471) 12.412 5.273 ( 2.550 -1.270 3.462) 4.484 5.682 ( -16.822 -8.369 7.925) 20.392 9.006 ( -8.961 -7.437 2.193) 11.850 9.316 ( -18.432 0.616 1.506) 18.504 10.797 ( -2.672 6.335 -1.094) 6.962 11.329 ( 21.813 9.576 -16.007) 28.701 11.735 ( 13.686 3.484 8.823) 16.652 15.272 ( 7.060 -4.502 2.885) 8.857 ======================= Grid point 667 (248/489) ======================= q-point: (-0.12 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( -14.419 -3.620 1.038) 14.903 3.026 ( -23.512 1.553 1.231) 23.595 3.663 ( -11.522 4.894 -0.374) 12.524 4.785 ( -12.301 -5.466 -5.372) 14.493 5.093 ( -25.187 -6.414 -1.312) 26.024 5.541 ( 6.216 -0.159 5.390) 8.229 8.793 ( -12.323 -3.729 2.215) 13.064 9.029 ( -11.334 -1.736 1.101) 11.519 10.796 ( -1.906 3.794 -1.033) 4.370 11.667 ( 15.716 3.605 -23.246) 28.290 12.143 ( 22.683 6.818 16.377) 28.796 15.364 ( 7.027 -2.928 0.244) 7.616 ======================= Grid point 674 (249/489) ======================= q-point: ( 0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( -0.000 22.924 6.664) 23.872 2.028 ( 0.000 15.356 17.690) 23.425 3.213 ( -0.000 4.975 -3.146) 5.886 3.367 ( -0.000 42.787 1.018) 42.799 3.932 ( -0.000 24.004 2.766) 24.163 5.811 ( -0.000 -5.515 -5.241) 7.608 7.983 ( -0.000 15.539 0.929) 15.567 9.331 ( 0.000 -13.629 5.028) 14.527 10.931 ( 0.000 -6.474 -0.743) 6.516 11.242 ( -0.000 9.967 -30.948) 32.514 13.704 ( 0.000 -25.866 14.716) 29.759 15.332 ( -0.000 5.045 -12.847) 13.802 ======================= Grid point 675 (250/489) ======================= q-point: ( 0.35 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 1.420 14.055 13.600) 19.609 2.316 ( 8.242 21.626 5.480) 23.783 3.292 ( 3.927 5.959 -3.151) 7.802 3.823 ( 7.450 33.711 -5.933) 35.031 4.249 ( 5.760 26.004 6.847) 27.501 5.734 ( -1.275 -4.154 -4.402) 6.185 8.206 ( 6.257 17.477 1.262) 18.606 9.180 ( -4.776 -11.021 4.110) 12.695 10.834 ( -2.559 -4.528 -2.046) 5.589 11.237 ( 2.052 1.594 -25.646) 25.777 13.466 ( -2.571 -26.924 15.883) 31.366 15.309 ( -3.391 3.489 -12.285) 13.214 ======================= Grid point 676 (251/489) ======================= q-point: ( 0.41 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( 3.453 12.126 8.794) 15.372 2.726 ( 12.178 20.708 4.858) 24.510 3.439 ( 5.619 8.295 -3.216) 10.522 4.219 ( 10.113 19.665 -9.283) 23.982 4.666 ( 8.675 25.411 6.886) 27.720 5.670 ( -1.254 -1.529 -1.602) 2.545 8.542 ( 10.105 19.092 2.281) 21.721 8.996 ( -6.955 -5.094 1.265) 8.713 10.778 ( 0.784 -1.852 -1.918) 2.779 11.162 ( -0.310 -5.352 -20.489) 21.178 13.176 ( -5.347 -27.607 15.492) 32.105 15.206 ( -6.940 1.980 -11.097) 13.237 ======================= Grid point 677 (252/489) ======================= q-point: ( 0.47 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( 5.523 9.599 4.693) 12.028 3.158 ( 12.027 20.081 4.410) 23.819 3.617 ( 4.381 11.643 -3.721) 12.984 4.505 ( 10.013 8.161 -9.110) 15.807 5.042 ( 7.010 17.527 3.208) 19.148 5.675 ( 1.381 3.089 2.979) 4.509 8.820 ( -1.550 3.827 2.126) 4.644 8.989 ( 8.166 17.823 0.452) 19.610 10.811 ( 3.353 1.996 -1.543) 4.196 10.995 ( -3.191 -9.481 -16.638) 19.414 12.824 ( -9.207 -27.051 12.848) 31.330 15.059 ( -7.018 0.185 -8.435) 10.974 ======================= Grid point 678 (253/489) ======================= q-point: ( 0.53 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( 6.404 6.551 1.223) 9.243 3.555 ( 9.213 19.200 4.134) 21.693 3.790 ( 1.416 15.253 -4.205) 15.885 4.661 ( 6.054 1.350 -9.227) 11.118 5.272 ( 4.800 7.718 2.645) 9.466 5.795 ( 4.992 5.368 5.361) 9.081 8.847 ( 2.023 5.409 0.025) 5.775 9.360 ( 8.183 21.010 2.358) 22.671 10.774 ( -4.927 -10.248 -12.576) 16.954 10.910 ( 3.370 5.731 -1.931) 6.923 12.406 ( -13.534 -23.136 8.502) 28.120 14.935 ( -2.910 -2.978 -4.670) 6.257 ======================= Grid point 679 (254/489) ======================= q-point: ( 0.59 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.004 ( 5.641 3.437 -1.895) 6.873 3.862 ( 3.250 16.222 2.228) 16.694 3.950 ( -0.817 19.690 -2.245) 19.834 4.703 ( 1.957 0.349 -8.429) 8.660 5.400 ( 3.751 1.331 2.928) 4.941 5.948 ( 6.367 0.961 5.555) 8.505 9.007 ( 8.435 8.099 -0.669) 11.712 9.670 ( 3.335 18.498 2.321) 18.939 10.562 ( -3.054 -10.006 -8.736) 13.630 10.994 ( -2.514 7.734 -0.741) 8.166 11.987 ( -14.238 -13.628 3.681) 20.050 14.875 ( 2.695 -7.036 -1.274) 7.642 ======================= Grid point 680 (255/489) ======================= q-point: ( 0.65 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( 3.281 0.842 -4.266) 5.447 3.995 ( -4.302 15.342 -2.451) 16.121 4.139 ( -2.630 20.232 3.156) 20.645 4.712 ( 1.144 2.049 -7.095) 7.473 5.441 ( 1.438 -3.524 1.387) 4.051 6.058 ( 6.138 -4.735 6.155) 9.898 9.267 ( 11.767 7.384 -2.055) 14.043 9.828 ( -3.843 11.749 1.064) 12.407 10.454 ( 3.772 -6.978 -3.284) 8.585 10.930 ( -12.970 6.927 1.588) 14.790 11.721 ( -8.837 -0.097 -1.027) 8.897 14.874 ( 6.980 -10.124 0.896) 12.330 ======================= Grid point 681 (256/489) ======================= q-point: (-0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.106 ( -0.156 -0.743 -4.990) 5.048 4.022 ( -8.921 14.355 -3.026) 17.170 4.257 ( -7.692 18.889 4.042) 20.791 4.750 ( 2.744 3.260 -6.402) 7.690 5.395 ( -0.257 -7.640 0.375) 7.653 6.096 ( 3.173 -8.083 6.384) 10.777 9.455 ( 3.143 -1.179 -3.355) 4.746 9.830 ( -3.379 7.140 0.828) 7.942 10.509 ( 7.600 -5.206 0.114) 9.212 10.806 ( -10.933 16.241 2.577) 19.747 11.618 ( -6.563 4.371 -3.249) 8.528 14.914 ( 9.087 -10.794 1.921) 14.240 ======================= Grid point 682 (257/489) ======================= q-point: (-0.24 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( -3.779 -1.231 -3.882) 5.556 3.946 ( -13.713 11.160 -2.604) 17.871 4.269 ( -12.902 16.497 2.977) 21.154 4.831 ( 5.599 2.781 -7.451) 9.726 5.301 ( -0.756 -9.122 1.934) 9.355 6.039 ( -2.615 -8.689 5.863) 10.803 9.325 ( -8.432 -7.607 -0.764) 11.382 9.832 ( -7.126 3.639 1.043) 8.069 10.629 ( 10.892 3.631 -4.438) 12.309 10.924 ( 0.196 17.678 4.142) 18.158 11.540 ( -3.619 0.843 -2.957) 4.749 14.983 ( 9.654 -9.045 1.968) 13.375 ======================= Grid point 683 (258/489) ======================= q-point: (-0.18 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( -7.303 -0.987 -1.731) 7.570 3.754 ( -18.118 6.773 -1.200) 19.379 4.155 ( -16.371 10.736 0.797) 19.594 4.924 ( 4.636 0.784 -10.800) 11.779 5.229 ( 0.838 -5.408 5.597) 7.828 5.865 ( -10.152 -7.521 5.409) 13.743 9.090 ( -9.233 -6.886 0.794) 11.545 9.645 ( -16.413 0.938 1.698) 16.527 10.889 ( 8.556 9.322 -7.359) 14.637 11.090 ( 3.959 8.792 -2.605) 9.988 11.571 ( 9.269 -0.013 4.272) 10.206 15.078 ( 9.537 -6.261 0.855) 11.441 ======================= Grid point 684 (259/489) ======================= q-point: (-0.12 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( -11.090 -0.392 0.593) 11.113 3.450 ( -22.194 2.708 0.650) 22.368 3.944 ( -15.709 3.744 -0.995) 16.180 4.887 ( -5.220 -0.374 -7.623) 9.246 5.261 ( 1.292 -0.854 -0.787) 1.737 5.596 ( -13.200 -4.998 7.873) 16.161 8.896 ( -6.883 -4.234 1.034) 8.147 9.328 ( -20.244 -0.514 1.288) 20.291 10.919 ( -7.203 5.067 -1.237) 8.893 11.329 ( 18.108 2.057 -18.790) 26.177 11.884 ( 19.383 4.162 14.614) 24.629 15.186 ( 8.870 -4.242 -1.669) 9.972 ======================= Grid point 692 (260/489) ======================= q-point: ( 0.35 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 0.000 12.326 11.125) 16.604 2.462 ( -0.000 19.852 4.388) 20.331 3.294 ( -0.000 5.157 -3.482) 6.222 4.049 ( -0.000 26.818 -9.242) 28.366 4.515 ( -0.000 30.536 8.346) 31.657 5.699 ( -0.000 -2.371 -3.029) 3.847 8.329 ( -0.000 18.065 0.673) 18.077 9.141 ( 0.000 -7.364 3.486) 8.147 10.807 ( 0.000 -5.190 -0.412) 5.206 11.125 ( -0.000 -3.207 -24.761) 24.968 13.262 ( 0.000 -28.111 15.604) 32.151 15.341 ( -0.000 3.798 -11.024) 11.660 ======================= Grid point 693 (261/489) ======================= q-point: ( 0.41 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 0.906 10.163 7.589) 12.716 2.744 ( 8.786 18.152 3.812) 20.524 3.389 ( 5.863 5.805 -3.397) 8.923 4.270 ( 3.049 17.574 -9.792) 20.348 4.866 ( 2.635 28.312 6.231) 29.109 5.680 ( -0.577 1.361 -0.345) 1.517 8.578 ( 7.384 18.390 0.930) 19.839 9.059 ( -4.174 -2.681 0.832) 5.030 10.749 ( -0.703 -2.731 -0.989) 2.988 11.018 ( 1.611 -7.985 -19.136) 20.797 13.005 ( -2.317 -28.931 14.340) 32.373 15.304 ( -4.668 3.166 -9.772) 11.283 ======================= Grid point 694 (262/489) ======================= q-point: ( 0.47 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 2.675 7.886 4.437) 9.436 3.128 ( 13.447 16.569 3.632) 21.646 3.582 ( 9.295 8.194 -3.538) 12.886 4.438 ( 4.447 8.915 -8.455) 13.067 5.163 ( 1.835 18.891 2.543) 19.150 5.721 ( 0.195 7.372 3.010) 7.965 8.896 ( 2.609 9.914 1.973) 10.440 9.017 ( 4.505 11.384 -1.591) 12.346 10.747 ( 2.886 -0.867 -2.341) 3.816 10.890 ( -0.320 -8.796 -13.061) 15.750 12.698 ( -4.604 -28.894 12.067) 31.649 15.184 ( -8.516 1.898 -8.157) 11.944 ======================= Grid point 695 (263/489) ======================= q-point: ( 0.53 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( 4.173 5.525 1.912) 7.183 3.536 ( 13.734 14.690 3.748) 20.457 3.836 ( 8.859 12.914 -4.193) 16.212 4.550 ( 4.999 2.290 -6.748) 8.705 5.319 ( 0.333 8.488 1.763) 8.676 5.837 ( 0.666 10.062 3.865) 10.799 8.909 ( -2.070 6.387 -0.704) 6.751 9.393 ( 12.258 19.044 1.690) 22.711 10.683 ( -1.978 -10.652 -11.095) 15.507 10.886 ( 5.445 4.887 -1.436) 7.456 12.354 ( -6.723 -26.540 9.128) 28.860 15.011 ( -9.250 -0.428 -5.930) 10.996 ======================= Grid point 696 (264/489) ======================= q-point: ( 0.59 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( 4.469 3.231 -0.291) 5.522 3.899 ( 10.622 12.804 2.845) 16.878 4.102 ( 4.990 17.874 -3.177) 18.828 4.624 ( 4.725 0.252 -6.132) 7.745 5.384 ( 0.847 1.773 3.231) 3.782 5.932 ( -0.214 5.084 2.961) 5.887 8.995 ( 3.201 9.275 -0.372) 9.818 9.756 ( 7.815 15.921 2.657) 17.934 10.492 ( -3.817 -9.824 -8.706) 13.670 11.059 ( 5.337 9.369 -1.577) 10.897 12.016 ( -7.222 -19.864 5.831) 21.926 14.836 ( -6.107 -4.137 -3.348) 8.101 ======================= Grid point 697 (265/489) ======================= q-point: ( 0.65 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( 3.487 1.434 -2.109) 4.320 4.158 ( 3.255 13.672 -0.934) 14.085 4.335 ( 2.272 16.415 2.671) 16.786 4.689 ( 2.908 3.909 -7.339) 8.809 5.405 ( 0.505 -2.470 2.972) 3.897 5.952 ( 0.952 -3.387 3.332) 4.845 9.188 ( 7.283 9.915 -0.301) 12.306 9.971 ( 0.538 9.295 2.232) 9.574 10.327 ( -0.628 -8.773 -5.211) 10.224 11.186 ( -3.902 11.388 0.093) 12.038 11.792 ( -3.227 -7.333 1.203) 8.101 14.711 ( -0.191 -8.151 -1.013) 8.216 ======================= Grid point 698 (266/489) ======================= q-point: ( 0.71 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( 1.437 0.492 -3.017) 3.378 4.279 ( -4.239 14.031 -2.726) 14.908 4.514 ( -0.585 12.394 5.637) 13.628 4.755 ( 0.852 7.789 -6.898) 10.439 5.355 ( -3.056 -4.583 0.151) 5.510 5.942 ( 4.733 -10.344 4.884) 12.379 9.394 ( 5.331 6.048 -1.183) 8.148 9.960 ( -6.068 2.467 0.397) 6.562 10.311 ( 7.635 -6.449 -0.873) 10.033 11.177 ( -10.250 14.711 3.095) 18.195 11.729 ( -3.109 1.560 -3.257) 4.765 14.669 ( 6.080 -10.038 0.445) 11.744 ======================= Grid point 699 (267/489) ======================= q-point: (-0.24 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.077 ( -1.329 0.465 -2.605) 2.961 4.272 ( -10.910 11.739 -2.634) 16.241 4.584 ( -4.308 8.050 2.488) 9.463 4.831 ( -1.543 10.578 -3.519) 11.254 5.225 ( -2.838 -8.566 -0.490) 9.037 5.939 ( 4.779 -10.635 4.829) 12.620 9.401 ( -6.317 -2.133 -1.006) 6.743 9.930 ( -1.534 2.955 0.931) 3.457 10.418 ( 11.350 -3.169 -1.846) 11.928 11.206 ( -6.255 18.335 4.802) 19.959 11.631 ( -7.886 -0.666 -4.592) 9.150 14.720 ( 10.082 -8.508 0.591) 13.206 ======================= Grid point 700 (268/489) ======================= q-point: (-0.18 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.028 ( -4.443 1.085 -1.138) 4.713 4.116 ( -16.490 6.396 -1.448) 17.747 4.514 ( -12.477 3.632 -0.936) 13.029 4.874 ( -1.219 7.633 -5.750) 9.634 5.153 ( 3.182 -6.450 4.376) 8.419 5.903 ( -0.864 -7.051 3.601) 7.964 9.210 ( -10.490 -3.272 -0.013) 10.988 9.875 ( -8.509 0.266 1.778) 8.696 10.645 ( 16.629 1.740 -6.531) 17.950 11.329 ( -8.100 16.762 3.567) 18.955 11.454 ( 0.156 -7.083 -0.536) 7.105 14.838 ( 11.029 -5.213 -0.568) 12.212 ======================= Grid point 701 (269/489) ======================= q-point: (-0.12 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( -7.829 1.990 0.626) 8.103 3.837 ( -19.767 1.357 0.268) 19.815 4.238 ( -17.097 -3.015 -2.760) 17.579 4.920 ( 0.543 5.315 -8.067) 9.675 5.199 ( 3.501 -1.034 5.900) 6.938 5.779 ( -8.746 -3.309 3.617) 10.026 9.009 ( -9.635 -1.208 -0.170) 9.712 9.653 ( -16.758 -1.072 1.776) 16.886 10.948 ( 17.947 2.895 -11.551) 21.538 11.139 ( -11.083 -3.553 -3.047) 12.031 11.665 ( 14.278 4.650 11.142) 18.698 14.978 ( 9.892 -2.568 -2.726) 10.577 ======================= Grid point 710 (270/489) ======================= q-point: ( 0.41 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( 0.000 7.814 5.330) 9.459 2.843 ( -0.000 15.851 3.064) 16.144 3.373 ( -0.000 4.874 -3.532) 6.019 4.369 ( -0.000 12.578 -9.455) 15.736 5.133 ( -0.000 24.052 4.109) 24.401 5.726 ( -0.000 6.997 1.944) 7.262 8.685 ( -0.000 16.741 -0.055) 16.741 9.085 ( -0.000 0.685 -1.428) 1.583 10.734 ( 0.000 -1.831 0.236) 1.846 10.853 ( -0.000 -9.811 -15.397) 18.257 12.775 ( 0.000 -29.666 12.342) 32.131 15.353 ( -0.000 3.625 -8.288) 9.046 ======================= Grid point 711 (271/489) ======================= q-point: ( 0.47 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 0.831 5.634 3.209) 6.537 3.083 ( 9.238 13.564 2.787) 16.647 3.479 ( 7.719 5.440 -3.384) 10.031 4.451 ( 1.155 7.083 -7.821) 10.615 5.335 ( -0.557 14.653 1.583) 14.748 5.838 ( -0.235 13.733 3.703) 14.225 8.919 ( 7.904 14.534 0.232) 16.545 9.074 ( -1.939 4.999 -4.178) 6.797 10.690 ( -0.678 -5.965 -5.257) 7.980 10.766 ( 2.626 -3.506 -4.453) 6.246 12.496 ( -1.932 -29.576 9.858) 31.236 15.314 ( -5.695 3.220 -6.925) 9.527 ======================= Grid point 712 (272/489) ======================= q-point: ( 0.53 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( 2.431 3.905 1.859) 4.962 3.423 ( 14.206 10.779 2.849) 18.059 3.722 ( 13.618 8.153 -3.503) 16.254 4.503 ( 1.704 2.831 -5.323) 6.265 5.422 ( -2.051 7.291 1.095) 7.652 5.985 ( -1.539 14.583 3.003) 14.968 9.022 ( -3.234 7.116 -3.109) 8.412 9.323 ( 15.101 14.758 -0.622) 21.124 10.582 ( -0.980 -8.492 -6.024) 10.457 10.823 ( 4.937 2.533 -0.471) 5.569 12.191 ( -3.087 -27.494 7.514) 28.669 15.179 ( -10.416 1.957 -5.558) 11.967 ======================= Grid point 713 (273/489) ======================= q-point: ( 0.59 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( 3.387 2.472 0.877) 4.284 3.783 ( 15.041 8.218 2.479) 17.318 4.073 ( 15.199 12.712 -3.405) 20.105 4.539 ( 2.589 0.213 -3.147) 4.081 5.430 ( -2.773 2.148 2.057) 4.066 6.065 ( -4.627 9.855 1.299) 10.964 9.062 ( -0.090 9.377 -2.055) 9.600 9.721 ( 13.364 12.060 0.713) 18.015 10.454 ( -3.497 -5.866 -5.135) 8.544 10.982 ( 9.898 4.238 -0.878) 10.803 11.908 ( -2.977 -21.886 5.881) 22.857 14.971 ( -12.365 -0.276 -4.020) 13.005 ======================= Grid point 714 (274/489) ======================= q-point: ( 0.65 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( 3.296 1.418 -0.078) 3.589 4.117 ( 13.335 7.982 1.061) 15.578 4.415 ( 6.717 13.018 0.320) 14.652 4.610 ( 7.969 2.619 -5.004) 9.767 5.390 ( -1.890 -3.103 3.479) 5.031 6.022 ( -7.841 2.862 0.191) 8.349 9.194 ( 4.049 10.300 -0.520) 11.080 9.982 ( 6.832 4.257 1.464) 8.182 10.310 ( -6.370 -3.189 -4.036) 8.187 11.227 ( 10.851 7.306 -2.318) 13.285 11.718 ( -0.228 -12.362 4.799) 13.263 14.741 ( -10.344 -3.213 -2.298) 11.073 ======================= Grid point 715 (275/489) ======================= q-point: ( 0.71 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.048 ( 2.386 0.992 -0.837) 2.716 4.380 ( 5.965 8.650 -1.886) 10.675 4.565 ( 4.689 4.170 5.750) 8.511 4.806 ( 2.974 11.549 -7.507) 14.092 5.354 ( 1.893 -4.104 3.345) 5.623 5.866 ( -7.806 -5.903 0.686) 9.811 9.377 ( 5.231 8.317 -0.015) 9.825 10.075 ( 0.316 0.683 1.425) 1.612 10.156 ( -3.086 -5.149 -2.546) 6.520 11.405 ( -0.401 8.691 0.027) 8.700 11.706 ( 5.066 -2.024 0.673) 5.497 14.563 ( -3.935 -5.345 -0.705) 6.675 ======================= Grid point 716 (276/489) ======================= q-point: (-0.24 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.084 ( 0.799 1.302 -0.998) 1.825 4.470 ( -1.403 5.391 -1.542) 5.780 4.711 ( -3.499 8.986 -0.780) 9.675 4.854 ( 4.793 -1.806 1.951) 5.480 5.354 ( -9.490 7.941 -2.922) 12.714 5.717 ( 5.529 -14.343 3.620) 15.793 9.477 ( -1.592 2.432 -0.293) 2.921 10.000 ( -4.726 1.542 0.930) 5.058 10.192 ( 9.361 -3.754 -1.378) 10.179 11.431 ( -3.890 5.283 2.503) 7.023 11.743 ( -3.110 2.706 -2.293) 4.717 14.517 ( 4.521 -4.401 -0.076) 6.310 ======================= Grid point 717 (277/489) ======================= q-point: (-0.18 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( -1.463 2.185 -0.401) 2.660 4.417 ( -11.323 2.899 -0.764) 11.713 4.600 ( -5.004 -3.768 -4.349) 7.625 5.013 ( 8.607 -1.402 5.286) 10.197 5.145 ( -16.651 6.626 -2.238) 18.060 5.783 ( 8.312 -5.173 1.947) 9.982 9.377 ( -9.615 0.437 0.009) 9.625 9.967 ( -2.287 -0.211 1.738) 2.880 10.368 ( 13.610 0.311 -3.827) 14.141 11.385 ( -2.252 -7.440 0.747) 7.809 11.654 ( -10.331 8.068 0.808) 13.133 14.618 ( 9.620 -0.924 -0.901) 9.706 ======================= Grid point 718 (278/489) ======================= q-point: (-0.12 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( -4.352 3.307 0.633) 5.502 4.153 ( -17.140 -2.764 0.325) 17.365 4.405 ( -10.593 -9.772 -4.606) 15.130 4.951 ( -2.656 0.110 -4.887) 5.563 5.190 ( 2.213 6.618 7.092) 9.949 5.842 ( 0.199 0.156 1.223) 1.249 9.204 ( -11.602 2.898 -0.330) 11.963 9.873 ( -9.115 -1.751 1.799) 9.455 10.621 ( 16.460 0.614 -7.578) 18.131 11.194 ( -4.825 -14.901 -0.751) 15.681 11.639 ( -1.253 7.260 5.961) 9.477 14.793 ( 9.814 2.124 -2.492) 10.346 ======================= Grid point 728 (279/489) ======================= q-point: ( 0.47 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( 0.000 3.529 2.071) 4.092 3.129 ( -0.000 11.002 2.393) 11.259 3.445 ( -0.000 4.543 -3.173) 5.542 4.476 ( -0.000 4.216 -6.128) 7.438 5.465 ( -0.000 9.376 0.761) 9.407 6.011 ( -0.000 16.968 3.389) 17.303 8.973 ( -0.000 12.002 -0.703) 12.023 9.129 ( -0.000 5.704 -6.646) 8.758 10.598 ( -0.000 -8.310 -4.321) 9.366 10.741 ( -0.000 2.057 0.732) 2.183 12.243 ( 0.000 -29.346 7.072) 30.186 15.381 ( -0.000 3.605 -5.651) 6.703 ======================= Grid point 729 (280/489) ======================= q-point: ( 0.53 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( 1.103 2.268 1.834) 3.119 3.315 ( 9.131 8.051 2.245) 12.379 3.565 ( 9.584 5.218 -2.871) 11.284 4.496 ( 0.546 2.131 -3.710) 4.313 5.526 ( -1.841 5.788 0.462) 6.092 6.173 ( -1.449 15.074 1.941) 15.267 9.123 ( -0.207 7.902 -3.859) 8.797 9.205 ( 9.459 9.265 -3.622) 13.727 10.516 ( -0.647 -5.471 -0.517) 5.534 10.787 ( 1.984 2.702 0.516) 3.391 11.969 ( -0.719 -27.050 4.640) 27.455 15.342 ( -6.599 3.098 -4.602) 8.621 ======================= Grid point 730 (281/489) ======================= q-point: ( 0.59 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( 2.394 1.570 2.011) 3.499 3.595 ( 14.238 5.100 2.031) 15.259 3.858 ( 17.726 6.977 -2.610) 19.228 4.515 ( 0.720 1.062 -1.299) 1.826 5.521 ( -3.878 2.642 0.635) 4.735 6.256 ( -4.489 10.463 0.165) 11.386 9.159 ( -1.512 8.738 -3.656) 9.592 9.545 ( 17.339 7.732 -1.108) 19.017 10.461 ( -1.849 -0.892 -0.086) 2.055 10.857 ( 4.874 -0.824 0.203) 4.948 11.733 ( 0.255 -20.412 3.405) 20.696 15.190 ( -12.157 1.955 -3.622) 12.835 ======================= Grid point 731 (282/489) ======================= q-point: ( 0.65 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( 2.900 1.040 1.850) 3.594 3.911 ( 16.398 3.630 1.571) 16.869 4.272 ( 21.260 8.412 -2.582) 23.009 4.534 ( 0.773 0.491 0.584) 1.086 5.449 ( -5.726 -1.004 1.208) 5.937 6.218 ( -8.767 5.143 -1.316) 10.249 9.240 ( 1.473 8.929 -1.009) 9.106 9.855 ( 11.173 1.542 -0.248) 11.282 10.423 ( -5.766 4.449 -1.224) 7.385 10.980 ( 15.093 -4.809 -1.119) 15.880 11.613 ( 1.775 -9.607 3.746) 10.464 14.953 ( -15.015 0.551 -2.472) 15.227 ======================= Grid point 732 (283/489) ======================= q-point: ( 0.71 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.013 ( 2.769 0.793 1.252) 3.140 4.231 ( 15.884 2.823 0.707) 16.149 4.553 ( 0.747 0.862 3.393) 3.579 4.714 ( 19.326 9.164 -4.849) 21.931 5.317 ( -5.677 -5.675 2.579) 8.431 6.049 ( -13.174 0.540 -2.108) 13.353 9.368 ( 4.101 5.993 0.426) 7.274 9.970 ( 5.021 -2.799 -0.248) 5.754 10.309 ( -10.450 2.463 -0.564) 10.752 11.281 ( 19.549 1.016 -3.875) 19.955 11.605 ( 2.736 -3.499 4.910) 6.620 14.693 ( -13.503 -0.220 -1.090) 13.548 ======================= Grid point 733 (284/489) ======================= q-point: (-0.24 -0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( 2.283 1.070 0.596) 2.590 4.466 ( 6.182 1.541 -1.372) 6.517 4.628 ( 8.959 -2.269 5.894) 10.962 4.959 ( -5.932 8.130 -6.841) 12.169 5.282 ( 14.442 -6.763 4.434) 16.552 5.775 ( -16.718 -1.083 -2.262) 16.905 9.472 ( 3.600 -0.117 0.228) 3.609 10.025 ( 4.373 -2.174 -1.619) 5.145 10.159 ( -8.444 4.043 1.890) 9.551 11.479 ( 1.119 -0.286 -2.279) 2.555 11.699 ( 9.376 -0.996 2.130) 9.666 14.515 ( -6.336 1.156 0.055) 6.441 ======================= Grid point 734 (285/489) ======================= q-point: (-0.18 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( 1.301 1.909 0.247) 2.323 4.497 ( -0.755 -1.262 -0.408) 1.526 4.668 ( -4.824 -13.041 0.409) 13.910 4.909 ( 2.022 7.295 0.351) 7.578 5.416 ( -5.805 -11.787 0.460) 13.147 5.603 ( 5.074 11.393 -0.933) 12.506 9.484 ( -0.931 -1.568 0.040) 1.824 9.991 ( -2.585 -2.661 0.044) 3.710 10.214 ( 5.433 6.432 0.052) 8.420 11.371 ( -5.972 -9.944 -0.361) 11.605 11.799 ( 0.419 1.203 0.327) 1.315 14.518 ( 3.077 4.692 0.012) 5.611 ======================= Grid point 735 (286/489) ======================= q-point: (-0.12 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( -0.534 3.101 0.287) 3.159 4.356 ( -12.590 -9.614 1.264) 15.891 4.420 ( -5.445 -10.157 -3.305) 11.989 4.950 ( -1.632 -4.311 -1.035) 4.724 5.283 ( -1.442 5.326 2.722) 6.153 5.813 ( 5.893 6.479 0.015) 8.758 9.423 ( -7.272 4.061 -0.060) 8.329 9.931 ( -1.336 -4.380 0.896) 4.666 10.396 ( 9.109 4.656 -2.756) 10.595 11.108 ( -6.652 -17.572 0.037) 18.789 11.762 ( -4.503 -0.050 1.638) 4.792 14.682 ( 7.656 7.615 -1.016) 10.845 ======================= Grid point 746 (287/489) ======================= q-point: ( 0.53 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( 0.000 1.222 2.532) 2.811 3.308 ( -0.000 5.536 1.904) 5.855 3.516 ( -0.000 4.243 -2.278) 4.816 4.501 ( -0.000 1.495 -1.642) 2.221 5.594 ( -0.000 4.099 -0.087) 4.100 6.328 ( -0.000 12.183 0.475) 12.192 9.153 ( -0.000 6.666 -0.491) 6.684 9.218 ( -0.000 7.550 -6.575) 10.012 10.487 ( 0.000 -2.698 2.843) 3.919 10.806 ( -0.000 3.421 0.417) 3.446 11.721 ( 0.000 -24.768 1.905) 24.841 15.420 ( -0.000 3.059 -3.782) 4.864 ======================= Grid point 747 (288/489) ======================= q-point: ( 0.59 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( 1.273 0.877 3.566) 3.886 3.435 ( 8.790 2.988 1.686) 9.436 3.646 ( 11.010 4.042 -1.776) 11.863 4.517 ( 0.383 1.436 0.475) 1.561 5.603 ( -2.501 2.101 -0.386) 3.289 6.408 ( -2.439 7.682 -1.147) 8.142 9.260 ( -0.969 8.582 -2.233) 8.921 9.328 ( 12.180 4.292 -1.166) 12.966 10.480 ( 0.128 -0.096 2.846) 2.851 10.824 ( -1.299 -0.054 -0.252) 1.325 11.523 ( 2.349 -17.537 0.568) 17.703 15.374 ( -7.153 2.375 -3.125) 8.159 ======================= Grid point 748 (289/489) ======================= q-point: ( 0.65 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( 2.169 0.521 3.867) 4.464 3.666 ( 14.473 1.141 1.600) 14.606 3.951 ( 19.820 3.366 -1.669) 20.173 4.544 ( 0.334 1.776 2.402) 3.006 5.545 ( -5.245 -0.165 -0.506) 5.272 6.384 ( -5.896 2.921 -2.583) 7.068 9.318 ( -1.078 7.421 0.788) 7.541 9.628 ( 16.303 1.905 -0.398) 16.419 10.536 ( 2.608 6.628 0.854) 7.174 10.740 ( -0.843 -9.653 -1.137) 9.756 11.478 ( 5.219 -6.486 1.214) 8.413 15.208 ( -12.990 1.657 -2.351) 13.305 ======================= Grid point 749 (290/489) ======================= q-point: (-0.29 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( 2.577 0.035 3.173) 4.087 3.952 ( 17.109 -0.542 1.534) 17.187 4.355 ( 23.549 1.376 -2.348) 23.706 4.579 ( 0.452 2.514 4.373) 5.064 5.415 ( -7.998 -2.275 -0.684) 8.343 6.247 ( -9.868 -0.807 -3.429) 10.478 9.368 ( 0.583 1.952 2.125) 2.944 9.850 ( 8.183 0.241 -0.494) 8.202 10.515 ( -9.977 1.687 -0.195) 10.121 10.874 ( 22.651 0.104 -1.727) 22.717 11.531 ( 4.069 -2.574 2.276) 5.326 14.963 ( -15.770 1.685 -1.211) 15.906 ======================= Grid point 750 (291/489) ======================= q-point: (-0.24 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.032 ( 2.913 -0.166 1.956) 3.512 4.233 ( 16.357 -3.383 1.256) 16.750 4.571 ( 1.545 -1.149 2.976) 3.544 4.809 ( 21.682 1.284 -0.219) 21.721 5.227 ( -9.973 -2.891 -0.927) 10.425 6.020 ( -12.829 -1.629 -3.439) 13.381 9.382 ( 2.634 -5.501 0.927) 6.169 9.951 ( 3.929 0.925 -1.199) 4.211 10.372 ( -9.242 4.324 2.621) 10.535 11.300 ( 21.172 4.638 -4.501) 22.136 11.547 ( 1.577 -6.145 3.683) 7.335 14.724 ( -13.511 3.499 0.216) 13.958 ======================= Grid point 751 (292/489) ======================= q-point: (-0.18 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.089 ( 3.202 0.194 0.725) 3.288 4.413 ( 9.252 -8.215 0.082) 12.373 4.557 ( -0.935 -6.138 4.592) 7.723 5.043 ( -7.083 -1.709 0.589) 7.310 5.142 ( 15.849 -2.373 -3.027) 16.309 5.803 ( -9.880 3.851 -2.258) 10.842 9.377 ( 5.313 -8.030 -0.002) 9.629 9.987 ( 0.793 -1.912 -2.332) 3.118 10.326 ( -5.692 10.473 4.895) 12.886 11.392 ( -6.848 -7.291 -0.739) 10.030 11.663 ( 13.378 -2.168 -1.118) 13.598 14.608 ( -5.600 7.237 1.197) 9.229 ======================= Grid point 764 (293/489) ======================= q-point: ( 0.59 0.59 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( 0.000 0.511 5.225) 5.250 3.381 ( 0.000 1.052 1.354) 1.715 3.576 ( -0.000 2.553 -1.059) 2.764 4.535 ( 0.000 2.072 2.425) 3.190 5.638 ( -0.000 0.743 -1.029) 1.270 6.478 ( -0.000 3.290 -2.606) 4.197 9.243 ( -0.000 2.509 0.444) 2.548 9.359 ( -0.000 8.481 1.092) 8.551 10.470 ( 0.000 -2.474 1.662) 2.980 10.857 ( -0.000 1.194 -0.537) 1.309 11.345 ( 0.000 -10.832 -1.174) 10.895 15.449 ( -0.000 1.862 -2.805) 3.367 ======================= Grid point 765 (294/489) ======================= q-point: (-0.35 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.912 ( 1.006 -0.068 5.784) 5.872 3.466 ( 8.865 -0.753 1.313) 8.994 3.692 ( 11.319 1.188 -0.745) 11.405 4.573 ( 0.190 2.927 4.371) 5.263 5.608 ( -2.882 -0.997 -1.512) 3.404 6.455 ( -2.630 -1.406 -3.967) 4.963 9.363 ( 9.111 -0.273 0.376) 9.123 9.443 ( 1.149 7.533 5.488) 9.391 10.460 ( 3.088 -4.005 -0.826) 5.124 10.801 ( -5.829 0.265 -1.081) 5.935 11.339 ( 5.367 -0.697 -0.807) 5.472 15.393 ( -7.156 1.284 -2.419) 7.662 ======================= Grid point 766 (295/489) ======================= q-point: (-0.29 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( 1.733 -1.163 4.769) 5.205 3.663 ( 14.606 -2.590 1.531) 14.913 3.967 ( 19.738 -0.884 -0.896) 19.779 4.624 ( -0.122 3.630 6.127) 7.122 5.509 ( -5.740 -2.538 -2.158) 6.636 6.337 ( -5.432 -5.236 -4.833) 8.960 9.394 ( -1.923 -3.099 3.495) 5.051 9.667 ( 13.335 1.378 1.913) 13.542 10.507 ( 6.562 -4.843 -0.596) 8.178 10.746 ( -1.629 8.563 -0.697) 8.745 11.447 ( 4.804 2.353 -0.200) 5.353 15.225 ( -12.506 1.403 -1.621) 12.688 ======================= Grid point 767 (296/489) ======================= q-point: (-0.24 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( 2.649 -2.153 2.948) 4.511 3.904 ( 16.579 -5.438 1.539) 17.516 4.307 ( 21.391 -4.866 -0.943) 21.958 4.682 ( 0.571 3.977 7.406) 8.425 5.354 ( -7.787 -2.514 -3.237) 8.800 6.144 ( -7.612 -6.813 -4.800) 11.287 9.303 ( -1.582 -8.813 1.516) 9.082 9.849 ( 7.980 -3.124 -0.649) 8.594 10.537 ( -2.320 4.554 4.679) 6.929 10.984 ( 17.192 7.902 -1.854) 19.012 11.513 ( 0.224 1.171 -0.305) 1.231 15.005 ( -14.209 2.964 -0.238) 14.516 ======================= Grid point 768 (297/489) ======================= q-point: (-0.18 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( 3.875 -2.508 1.055) 4.735 4.104 ( 14.106 -10.378 1.030) 17.542 4.496 ( 6.560 -9.709 2.695) 12.023 4.821 ( 10.203 0.835 5.461) 11.603 5.199 ( -6.604 1.390 -5.259) 8.556 5.938 ( -6.809 -4.608 -3.637) 8.990 9.209 ( 2.463 -10.516 0.139) 10.801 9.894 ( 4.561 -6.975 -2.344) 8.657 10.574 ( -5.972 12.819 8.010) 16.253 11.336 ( 15.217 -6.726 1.634) 16.717 11.479 ( -2.965 6.600 -5.413) 9.036 14.828 ( -10.663 6.189 1.437) 12.413 ======================= Grid point 782 (298/489) ======================= q-point: (-0.35 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( 0.000 -0.993 6.735) 6.807 3.371 ( 0.000 -2.845 0.778) 2.949 3.598 ( 0.000 -0.038 -0.005) 0.038 4.625 ( 0.000 4.172 6.634) 7.837 5.610 ( -0.000 -2.571 -2.290) 3.443 6.423 ( -0.000 -6.268 -5.304) 8.211 9.260 ( 0.000 -1.417 1.214) 1.866 9.529 ( 0.000 2.496 8.742) 9.092 10.400 ( -0.000 -0.679 -1.575) 1.715 10.839 ( -0.000 -2.212 -1.294) 2.562 11.325 ( -0.000 8.643 -2.126) 8.900 15.457 ( -0.000 0.680 -2.509) 2.600 ======================= Grid point 783 (299/489) ======================= q-point: (-0.29 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( 0.429 -2.749 5.684) 6.328 3.419 ( 9.304 -4.920 0.860) 10.560 3.685 ( 10.599 -1.536 0.119) 10.710 4.694 ( -0.243 4.946 8.787) 10.086 5.542 ( -2.835 -4.107 -3.191) 5.924 6.302 ( -1.963 -10.480 -6.261) 12.365 9.313 ( 6.444 -5.306 0.769) 8.382 9.534 ( 1.236 -5.199 6.447) 8.374 10.451 ( 1.553 7.755 2.313) 8.240 10.809 ( 0.084 -0.064 -0.631) 0.639 11.450 ( 1.929 11.941 -2.982) 12.458 15.396 ( -6.575 0.671 -2.225) 6.973 ======================= Grid point 784 (300/489) ======================= q-point: (-0.24 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( 1.571 -4.631 3.419) 5.967 3.573 ( 14.486 -7.503 1.100) 16.351 3.909 ( 17.689 -4.340 -0.124) 18.214 4.764 ( -0.972 4.673 10.394) 11.438 5.418 ( -4.884 -4.337 -4.328) 7.835 6.118 ( -3.110 -12.860 -6.416) 14.704 9.256 ( -2.814 -10.570 0.479) 10.949 9.598 ( 11.655 -10.007 0.731) 15.379 10.607 ( 3.125 11.668 6.404) 13.672 10.878 ( 5.031 4.959 2.049) 7.356 11.574 ( -0.657 11.727 -4.187) 12.470 15.247 ( -10.836 1.846 -1.209) 11.058 ======================= Grid point 785 (301/489) ======================= q-point: (-0.18 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( 3.457 -5.723 1.205) 6.794 3.744 ( 15.005 -11.494 0.691) 18.914 4.157 ( 17.033 -9.659 0.390) 19.585 4.822 ( -0.282 3.573 10.491) 11.087 5.281 ( -5.010 -1.629 -5.288) 7.465 5.918 ( -2.526 -12.378 -5.566) 13.805 9.096 ( -1.705 -11.011 -0.385) 11.149 9.662 ( 9.347 -13.667 -1.875) 16.663 10.805 ( 0.707 14.114 10.116) 17.379 11.060 ( 9.721 0.524 3.188) 10.244 11.628 ( -4.579 12.772 -7.225) 15.372 15.079 ( -11.205 4.359 0.624) 12.040 ======================= Grid point 800 (302/489) ======================= q-point: (-0.29 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.905 ( 0.000 -4.889 5.376) 7.266 3.271 ( 0.000 -7.614 -0.022) 7.614 3.579 ( 0.000 -1.961 0.760) 2.103 4.781 ( 0.000 5.220 11.521) 12.648 5.505 ( -0.000 -5.683 -4.279) 7.114 6.167 ( -0.000 -15.131 -7.436) 16.860 9.190 ( 0.000 -6.749 1.083) 6.835 9.460 ( 0.000 -12.051 2.752) 12.362 10.599 ( 0.000 17.937 9.897) 20.486 10.770 ( 0.000 -3.353 -1.160) 3.548 11.576 ( -0.000 17.203 -5.368) 18.021 15.450 ( -0.000 0.444 -2.602) 2.640 ======================= Grid point 801 (303/489) ======================= q-point: (-0.24 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( 0.098 -7.477 3.264) 8.159 3.272 ( 9.729 -10.293 0.084) 14.164 3.638 ( 9.070 -3.339 0.637) 9.686 4.860 ( -0.778 3.186 13.464) 13.858 5.411 ( -2.056 -5.817 -5.192) 8.064 5.969 ( -0.545 -17.838 -8.044) 19.575 9.152 ( 2.867 -10.849 -0.482) 11.232 9.343 ( 2.994 -13.220 0.128) 13.555 10.707 ( -1.120 4.141 2.269) 4.852 10.902 ( 4.335 15.848 12.822) 20.841 11.726 ( -1.221 17.903 -7.593) 19.485 15.399 ( -5.512 1.231 -2.267) 6.086 ======================= Grid point 802 (304/489) ======================= q-point: (-0.18 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( 2.221 -9.267 1.004) 9.582 3.366 ( 14.023 -13.788 -0.044) 19.666 3.801 ( 14.042 -6.432 0.353) 15.449 4.891 ( -1.256 -1.762 12.712) 12.895 5.309 ( -2.343 -2.871 -3.988) 5.444 5.759 ( 0.169 -17.334 -8.088) 19.129 9.026 ( -2.331 -11.039 -1.933) 11.447 9.328 ( 9.936 -15.643 -0.916) 18.554 10.785 ( 6.337 1.333 1.430) 6.631 11.165 ( -0.763 18.543 17.667) 25.623 11.831 ( -4.007 17.814 -10.651) 21.138 15.289 ( -8.487 3.167 -0.823) 9.096 ======================= Grid point 818 (305/489) ======================= q-point: (-0.24 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( 0.000 -10.702 2.228) 10.931 3.064 ( 0.000 -12.911 -0.776) 12.935 3.531 ( 0.000 -3.349 0.877) 3.462 4.919 ( 0.000 -2.685 14.518) 14.764 5.347 ( -0.000 -7.287 -4.398) 8.511 5.758 ( -0.000 -17.945 -9.461) 20.287 8.994 ( 0.000 -13.243 0.215) 13.245 9.198 ( 0.000 -11.945 -2.793) 12.267 10.718 ( 0.000 -0.890 -0.262) 0.928 11.140 ( 0.000 24.034 21.149) 32.014 11.900 ( -0.000 19.749 -10.533) 22.382 15.450 ( -0.000 1.489 -2.839) 3.206 ======================= Grid point 819 (306/489) ======================= q-point: (-0.18 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( 0.724 -13.230 0.247) 13.252 3.006 ( 9.355 -16.062 -0.905) 18.610 3.562 ( 7.294 -4.630 0.555) 8.657 4.885 ( -0.614 -10.721 10.698) 15.158 5.235 ( 1.351 -16.011 -0.586) 16.079 5.594 ( -0.764 -6.210 -9.047) 11.000 8.886 ( 3.355 -15.145 -1.278) 15.565 9.087 ( 1.309 -9.903 -2.610) 10.324 10.730 ( 1.722 1.019 0.520) 2.067 11.448 ( -0.439 21.540 24.040) 32.281 12.042 ( -2.516 20.642 -13.742) 24.925 15.423 ( -4.132 2.757 -2.295) 5.472 ======================= Grid point 836 (307/489) ======================= q-point: (-0.18 -0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 0.000 -17.155 -1.169) 17.195 2.746 ( 0.000 -18.154 -1.410) 18.208 3.457 ( 0.000 -4.440 0.424) 4.460 4.774 ( 0.000 -16.975 6.532) 18.188 4.960 ( 0.000 -31.667 -1.336) 31.695 5.601 ( -0.000 6.791 -3.860) 7.812 8.678 ( 0.000 -17.779 -0.343) 17.782 9.006 ( -0.000 -4.046 -4.053) 5.727 10.739 ( -0.000 2.874 0.441) 2.908 11.735 ( 0.000 17.389 26.113) 31.373 12.240 ( -0.000 24.104 -14.919) 28.347 15.477 ( -0.000 3.088 -2.989) 4.298 ======================= Grid point 927 (308/489) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 0.000 -0.000 22.012) 22.012 0.683 ( 0.000 -0.000 22.012) 22.012 1.385 ( 0.000 -0.000 45.823) 45.823 3.052 ( -0.000 0.000 -2.745) 2.745 3.052 ( -0.000 0.000 -2.745) 2.745 6.864 ( -0.000 0.000 -12.172) 12.172 7.509 ( 0.000 -0.000 0.981) 0.981 7.509 ( 0.000 -0.000 0.981) 0.981 11.185 ( -0.000 0.000 -0.744) 0.744 11.185 ( -0.000 0.000 -0.744) 0.744 14.558 ( 0.000 -0.000 2.481) 2.481 14.858 ( -0.000 0.000 -1.134) 1.134 ======================= Grid point 928 (309/489) ======================= q-point: ( 0.24 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 15.837 9.144 16.106) 24.369 1.166 ( 20.387 11.770 20.855) 31.450 1.731 ( 21.363 12.334 31.653) 40.130 3.055 ( 1.419 0.820 -3.096) 3.503 3.191 ( 11.838 6.835 -2.004) 13.816 6.209 ( -16.697 -9.640 0.741) 19.294 7.576 ( 5.030 2.904 1.175) 5.925 9.006 ( 64.151 37.038 -37.361) 82.964 10.930 ( -15.801 -9.123 -4.861) 18.882 11.150 ( -2.776 -1.603 -0.798) 3.304 14.463 ( -8.570 -4.948 4.913) 11.048 15.060 ( 12.556 7.249 -10.056) 17.644 ======================= Grid point 929 (310/489) ======================= q-point: ( 0.29 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 20.951 12.096 10.080) 26.208 1.573 ( 10.981 6.340 24.761) 27.819 2.521 ( 37.319 21.546 10.207) 44.284 3.096 ( 2.977 1.719 -3.305) 4.768 3.554 ( 19.089 11.021 0.673) 22.053 5.962 ( -6.948 -4.011 -4.462) 9.180 7.746 ( 9.268 5.351 1.188) 10.768 9.642 ( -3.068 -1.771 -3.199) 4.773 10.813 ( 15.375 8.877 -30.957) 35.686 11.059 ( -4.672 -2.698 -0.802) 5.455 14.230 ( -13.257 -7.654 10.416) 18.515 15.212 ( 3.471 2.004 -14.032) 14.593 ======================= Grid point 930 (311/489) ======================= q-point: ( 0.35 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 12.014 6.936 17.509) 22.339 1.924 ( 20.994 12.121 6.698) 25.150 3.168 ( 4.022 2.322 -3.382) 5.745 3.402 ( 36.423 21.029 0.846) 42.066 4.037 ( 21.370 12.338 4.027) 25.002 5.811 ( -5.105 -2.947 -5.640) 8.158 8.005 ( 12.765 7.370 1.015) 14.775 9.305 ( -18.545 -10.707 3.804) 21.749 10.940 ( -5.163 -2.981 -0.718) 6.004 11.142 ( 15.762 9.100 -29.124) 34.343 13.929 ( -16.528 -9.543 15.581) 24.638 15.158 ( -2.975 -1.718 -14.931) 15.321 ======================= Grid point 931 (312/489) ======================= q-point: ( 0.41 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 13.926 8.040 9.722) 18.791 2.404 ( 18.855 10.886 4.675) 22.268 3.255 ( 4.420 2.552 -3.353) 6.107 4.160 ( 29.121 16.813 -6.434) 34.237 4.533 ( 19.684 11.365 6.785) 23.721 5.697 ( -3.057 -1.765 -2.999) 4.632 8.328 ( 14.692 8.482 0.668) 16.977 8.953 ( -11.559 -6.674 1.524) 13.434 10.829 ( -4.074 -2.352 -0.486) 4.729 11.280 ( 3.455 1.995 -22.576) 22.926 13.545 ( -21.857 -12.619 16.195) 29.987 15.042 ( -2.083 -1.203 -12.194) 12.429 ======================= Grid point 932 (313/489) ======================= q-point: ( 0.47 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( 13.981 8.072 3.599) 16.540 2.815 ( 15.539 8.972 3.384) 18.260 3.345 ( 4.142 2.392 -3.233) 5.773 4.649 ( 14.917 8.612 -12.776) 21.445 4.969 ( 15.979 9.225 6.668) 19.619 5.691 ( 3.476 2.007 3.700) 5.459 8.668 ( 14.199 8.198 0.137) 16.397 8.807 ( -1.091 -0.630 -0.461) 1.341 10.759 ( -1.772 -1.023 -0.044) 2.047 11.190 ( -4.755 -2.745 -17.883) 18.707 13.008 ( -28.404 -16.399 11.368) 34.713 15.018 ( 2.500 1.443 -5.660) 6.354 ======================= Grid point 933 (314/489) ======================= q-point: ( 0.53 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( 11.689 6.748 -1.272) 13.557 3.138 ( 11.656 6.730 2.494) 13.689 3.421 ( 3.233 1.866 -2.989) 4.782 4.782 ( 2.061 1.190 -13.251) 13.463 5.297 ( 10.845 6.262 4.062) 13.165 5.880 ( 9.747 5.628 8.128) 13.883 8.896 ( 8.814 5.089 -2.206) 10.414 8.964 ( 11.265 6.504 -0.532) 13.018 10.748 ( 0.647 0.373 0.586) 0.949 10.991 ( -7.492 -4.326 -13.343) 15.902 12.340 ( -31.019 -17.909 6.629) 36.426 15.101 ( 4.855 2.803 -0.306) 5.615 ======================= Grid point 934 (315/489) ======================= q-point: ( 0.59 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.106 ( 7.487 4.323 -5.394) 10.190 3.365 ( 7.410 4.278 1.523) 8.691 3.472 ( 1.968 1.136 -2.306) 3.237 4.748 ( -0.495 -0.286 -9.621) 9.638 5.499 ( 5.970 3.447 1.867) 7.142 6.117 ( 7.469 4.312 8.541) 12.137 9.174 ( 7.079 4.087 -1.116) 8.250 9.178 ( 16.036 9.258 -4.437) 19.041 10.776 ( -8.447 -4.877 -7.970) 12.596 10.781 ( 1.581 0.913 1.178) 2.173 11.680 ( -26.037 -15.033 4.263) 30.366 15.215 ( 4.304 2.485 2.376) 5.509 ======================= Grid point 935 (316/489) ======================= q-point: ( 0.65 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.196 ( 2.225 1.285 -8.215) 8.608 3.456 ( 0.162 0.094 -1.946) 1.955 3.527 ( 3.313 1.913 1.129) 3.989 4.740 ( 2.522 1.456 -6.348) 6.984 5.585 ( 1.176 0.679 0.300) 1.391 6.248 ( 1.248 0.720 8.366) 8.489 9.284 ( 2.857 1.650 -1.337) 3.560 9.569 ( 18.037 10.413 -7.886) 22.270 10.516 ( -12.932 -7.466 -0.492) 14.941 10.811 ( 0.353 0.204 1.434) 1.491 11.267 ( -9.049 -5.224 2.292) 10.697 15.302 ( 2.370 1.369 3.561) 4.492 ======================= Grid point 936 (317/489) ======================= q-point: (-0.29 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( -2.767 -1.597 -8.577) 9.153 3.408 ( -3.596 -2.076 -1.667) 4.474 3.583 ( 1.004 0.580 1.004) 1.534 4.830 ( 6.749 3.897 -5.744) 9.682 5.556 ( -3.643 -2.103 0.232) 4.212 6.218 ( -6.211 -3.586 8.111) 10.827 9.297 ( -1.424 -0.822 -1.101) 1.979 9.758 ( -5.615 -3.242 -5.048) 8.217 10.399 ( 10.234 5.909 -2.132) 12.008 10.799 ( -1.701 -0.982 1.227) 2.316 11.253 ( 5.520 3.187 2.357) 6.796 15.348 ( 0.698 0.403 4.376) 4.450 ======================= Grid point 937 (318/489) ======================= q-point: (-0.24 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.024 ( -6.953 -4.014 -6.574) 10.377 3.278 ( -7.412 -4.280 -0.794) 8.596 3.582 ( -1.211 -0.699 0.456) 1.471 4.994 ( 8.635 4.986 -9.188) 13.559 5.428 ( -7.430 -4.290 2.857) 9.043 6.013 ( -13.692 -7.905 8.067) 17.750 9.206 ( -6.415 -3.704 -0.530) 7.426 9.460 ( -14.990 -8.655 2.333) 17.466 10.752 ( -2.306 -1.331 0.642) 2.739 10.824 ( 24.007 13.861 -12.191) 30.284 11.475 ( 11.832 6.831 4.597) 14.415 15.373 ( 0.460 0.266 5.117) 5.145 ======================= Grid point 938 (319/489) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( -10.921 -6.305 -3.126) 12.992 3.059 ( -11.584 -6.688 0.211) 13.378 3.535 ( -2.801 -1.617 -0.026) 3.234 5.053 ( -4.423 -2.554 -13.195) 14.149 5.308 ( -2.522 -1.456 3.407) 4.482 5.664 ( -16.666 -9.622 10.059) 21.714 8.995 ( -11.734 -6.775 0.056) 13.550 9.164 ( -10.931 -6.311 4.163) 13.290 10.716 ( -0.467 -0.270 -0.020) 0.539 11.342 ( 24.284 14.020 -20.867) 34.953 11.800 ( 14.411 8.320 10.179) 19.507 15.412 ( 1.626 0.939 5.052) 5.389 ======================= Grid point 945 (320/489) ======================= q-point: ( 0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.000 19.198 15.685) 24.790 1.200 ( 0.000 28.937 17.291) 33.710 1.819 ( 0.000 17.930 34.350) 38.748 3.064 ( -0.000 2.528 -3.058) 3.968 3.158 ( -0.000 12.178 -2.463) 12.424 6.207 ( 0.000 -20.178 -0.596) 20.187 7.560 ( -0.000 4.992 0.984) 5.088 8.880 ( -0.000 69.891 -31.257) 76.562 10.975 ( -0.000 -12.231 -6.088) 13.663 11.148 ( 0.000 -3.209 -0.808) 3.309 14.465 ( 0.000 -11.276 5.054) 12.357 15.020 ( -0.000 12.678 -8.536) 15.284 ======================= Grid point 946 (321/489) ======================= q-point: ( 0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 8.188 22.316 11.553) 26.430 1.601 ( 6.855 15.132 23.476) 28.759 2.317 ( 19.683 30.485 15.347) 39.399 3.089 ( 0.720 4.134 -3.259) 5.313 3.407 ( 11.996 15.494 -0.368) 19.599 5.994 ( -4.903 -8.795 -4.217) 10.916 7.683 ( 5.860 7.582 1.143) 9.650 9.514 ( 14.680 16.756 -12.603) 25.595 10.766 ( -6.483 5.252 -20.694) 22.313 11.097 ( -1.838 -2.570 -1.928) 3.701 14.304 ( -5.297 -14.787 8.855) 18.031 15.146 ( 3.597 7.121 -12.520) 14.846 ======================= Grid point 947 (322/489) ======================= q-point: ( 0.35 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 13.507 21.411 8.172) 26.602 1.897 ( 5.865 10.724 20.980) 24.282 3.088 ( 28.268 29.825 2.190) 41.151 3.151 ( 2.024 5.862 -3.337) 7.042 3.839 ( 18.189 15.972 3.348) 24.437 5.835 ( -4.163 -4.866 -6.047) 8.808 7.910 ( 9.342 10.637 1.237) 14.211 9.467 ( -11.997 -14.566 4.664) 19.438 10.849 ( 7.922 6.413 -19.499) 22.002 11.055 ( -0.118 7.140 -12.202) 14.138 14.060 ( -8.751 -16.707 13.540) 23.217 15.159 ( -2.205 1.930 -14.587) 14.878 ======================= Grid point 948 (323/489) ======================= q-point: ( 0.41 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 8.383 10.590 13.489) 19.089 2.293 ( 14.120 19.779 5.965) 25.023 3.239 ( 2.189 6.879 -3.286) 7.932 3.845 ( 27.338 23.416 -5.333) 36.389 4.340 ( 19.388 14.487 6.593) 25.084 5.714 ( -2.978 -2.926 -4.733) 6.311 8.217 ( 11.502 13.302 1.217) 17.627 9.097 ( -13.742 -11.298 3.189) 18.074 10.852 ( -1.396 -3.543 -1.947) 4.277 11.160 ( 5.146 6.407 -22.893) 24.324 13.744 ( -13.359 -18.770 15.586) 27.816 15.055 ( -4.480 0.624 -13.531) 14.267 ======================= Grid point 949 (324/489) ======================= q-point: ( 0.47 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 10.535 9.879 6.726) 15.932 2.728 ( 12.143 18.154 4.338) 22.267 3.337 ( 1.797 7.660 -3.219) 8.501 4.419 ( 19.297 13.640 -10.773) 25.970 4.812 ( 16.742 11.914 7.141) 21.754 5.669 ( 1.196 0.259 0.191) 1.238 8.564 ( 11.503 14.598 1.118) 18.619 8.849 ( -5.994 -4.048 1.036) 7.307 10.790 ( -2.271 -0.741 -0.527) 2.446 11.146 ( -0.689 -2.709 -18.966) 19.171 13.296 ( -21.208 -20.658 12.030) 31.957 14.982 ( -0.094 0.998 -7.842) 7.906 ======================= Grid point 950 (325/489) ======================= q-point: ( 0.53 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( 10.602 7.849 1.230) 13.248 3.094 ( 8.631 16.606 3.066) 18.965 3.429 ( 0.807 7.972 -3.013) 8.560 4.688 ( 6.789 3.880 -13.050) 15.213 5.182 ( 12.095 7.985 5.143) 15.378 5.790 ( 8.594 4.435 5.875) 11.316 8.809 ( 4.478 2.111 0.228) 4.956 8.909 ( 8.271 14.921 -0.059) 17.060 10.762 ( -1.249 1.220 -0.135) 1.751 10.997 ( -4.192 -5.830 -14.677) 16.339 12.690 ( -27.780 -20.119 6.710) 34.951 15.021 ( 5.005 0.243 -1.601) 5.261 ======================= Grid point 951 (326/489) ======================= q-point: ( 0.59 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.995 ( 8.414 4.931 -3.478) 10.354 3.371 ( 4.216 14.846 1.912) 15.551 3.502 ( -0.604 8.000 -2.473) 8.395 4.716 ( 0.550 0.193 -10.759) 10.775 5.423 ( 7.629 3.840 3.128) 9.095 6.031 ( 9.993 4.080 7.613) 13.209 8.994 ( 12.316 6.120 -1.875) 13.880 9.171 ( 4.423 14.331 -0.427) 15.004 10.744 ( -0.716 -3.507 -3.279) 4.854 10.841 ( -4.279 -1.003 -6.222) 7.618 12.026 ( -28.464 -15.641 3.614) 32.679 15.124 ( 6.963 -1.529 1.894) 7.376 ======================= Grid point 952 (327/489) ======================= q-point: ( 0.65 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.124 ( 4.471 1.660 -7.158) 8.602 3.524 ( -2.477 10.015 -2.039) 10.517 3.572 ( -0.280 10.587 1.259) 10.665 4.698 ( 1.177 0.798 -7.486) 7.619 5.547 ( 3.665 0.121 1.357) 3.910 6.221 ( 5.660 0.698 7.922) 9.761 9.317 ( 15.186 8.592 -3.581) 17.811 9.338 ( 1.788 11.477 -2.258) 11.833 10.629 ( -5.935 -4.826 -4.658) 8.956 10.778 ( -1.545 -3.464 2.015) 4.295 11.498 ( -19.478 -4.220 1.903) 20.020 15.226 ( 6.350 -3.368 3.300) 7.909 ======================= Grid point 953 (328/489) ======================= q-point: (-0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( -0.020 -1.346 -8.447) 8.553 3.524 ( -6.255 7.745 -2.498) 10.264 3.657 ( -3.004 10.076 1.562) 10.629 4.743 ( 4.712 2.590 -6.146) 8.166 5.563 ( -0.258 -3.166 0.703) 3.253 6.275 ( -1.132 -3.233 7.931) 8.639 9.390 ( -4.888 8.540 -1.152) 9.907 9.651 ( 12.732 2.824 -7.902) 15.248 10.422 ( -8.712 -1.038 1.645) 8.927 10.760 ( 3.724 -4.416 1.502) 5.969 11.312 ( -5.473 6.528 0.796) 8.556 15.294 ( 4.786 -4.559 3.896) 7.672 ======================= Grid point 954 (329/489) ======================= q-point: (-0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( -3.965 -3.532 -7.068) 8.840 3.445 ( -10.186 5.978 -1.846) 11.954 3.678 ( -5.523 8.164 0.901) 9.897 4.865 ( 7.787 3.710 -8.085) 11.823 5.485 ( -3.937 -5.519 2.115) 7.102 6.164 ( -8.846 -6.793 7.868) 13.649 9.327 ( -8.289 2.139 -0.663) 8.586 9.614 ( -10.286 -6.139 -1.501) 12.072 10.529 ( 14.548 8.086 -5.471) 17.520 10.801 ( 1.888 2.502 0.140) 3.137 11.396 ( 5.766 7.594 2.398) 9.831 15.332 ( 3.753 -4.607 4.272) 7.318 ======================= Grid point 955 (330/489) ======================= q-point: (-0.18 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( -7.684 -4.989 -4.073) 10.027 3.275 ( -14.510 3.315 -0.632) 14.897 3.640 ( -7.038 6.089 0.111) 9.307 4.989 ( 4.871 1.459 -13.533) 14.457 5.359 ( -4.420 -4.890 5.724) 8.730 5.890 ( -15.932 -9.375 8.372) 20.293 9.146 ( -10.911 -4.207 0.794) 11.721 9.335 ( -14.278 -3.845 1.726) 14.887 10.720 ( 1.256 0.647 -0.794) 1.621 11.038 ( 18.958 14.005 -14.918) 27.894 11.655 ( 13.597 6.823 7.017) 16.753 15.369 ( 3.886 -3.539 4.064) 6.643 ======================= Grid point 963 (331/489) ======================= q-point: ( 0.29 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 0.000 22.446 9.925) 24.543 1.788 ( 0.000 16.911 22.283) 27.973 2.543 ( -0.000 37.990 11.307) 39.637 3.111 ( -0.000 4.111 -3.403) 5.337 3.486 ( -0.000 20.756 0.493) 20.762 5.928 ( -0.000 -8.643 -5.218) 10.096 7.722 ( -0.000 10.629 1.099) 10.685 9.512 ( -0.000 6.802 -3.164) 7.502 10.847 ( -0.000 12.075 -27.874) 30.377 11.053 ( 0.000 -5.626 -0.818) 5.685 14.203 ( 0.000 -19.297 10.511) 21.974 15.159 ( -0.000 8.015 -12.637) 14.964 ======================= Grid point 964 (332/489) ======================= q-point: ( 0.35 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 7.834 22.674 7.768) 25.216 2.022 ( 1.599 12.833 20.447) 24.194 3.073 ( 12.907 37.589 1.420) 39.768 3.167 ( 2.229 5.792 -3.436) 7.093 3.793 ( 9.257 21.815 3.795) 24.000 5.816 ( -2.094 -5.867 -6.111) 8.726 7.899 ( 5.938 13.286 1.270) 14.608 9.468 ( -3.749 -13.389 5.596) 14.988 10.834 ( -3.286 8.890 -20.108) 22.229 11.049 ( 3.228 2.940 -11.730) 12.516 14.007 ( -3.142 -21.739 13.450) 25.756 15.179 ( -1.336 4.987 -13.937) 14.862 ======================= Grid point 965 (333/489) ======================= q-point: ( 0.41 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 3.302 11.636 14.623) 18.977 2.311 ( 11.496 22.264 6.321) 25.842 3.267 ( 2.859 7.732 -3.233) 8.855 3.688 ( 18.402 29.461 -5.906) 35.234 4.233 ( 14.287 20.327 6.987) 25.809 5.711 ( -2.195 -3.474 -5.177) 6.609 8.189 ( 9.620 16.225 1.629) 18.932 9.199 ( -10.748 -13.737 4.239) 17.950 10.808 ( 0.543 -1.034 -6.260) 6.368 11.099 ( 2.186 4.944 -19.280) 20.024 13.745 ( -6.392 -23.705 15.160) 28.855 15.115 ( -5.054 2.872 -13.813) 14.987 ======================= Grid point 966 (334/489) ======================= q-point: ( 0.47 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 5.902 10.668 8.643) 14.944 2.750 ( 11.305 21.751 5.045) 25.027 3.389 ( 2.132 9.904 -3.255) 10.641 4.218 ( 17.454 17.657 -9.292) 26.509 4.699 ( 14.468 17.100 6.709) 23.382 5.655 ( -0.019 -0.369 -1.619) 1.661 8.549 ( 10.601 18.487 2.141) 21.418 8.928 ( -8.362 -6.450 1.690) 10.695 10.795 ( 0.700 -0.841 -1.928) 2.217 11.068 ( -0.555 -2.549 -17.915) 18.104 13.392 ( -11.999 -25.103 13.179) 30.787 15.008 ( -4.547 1.841 -10.289) 11.398 ======================= Grid point 967 (335/489) ======================= q-point: ( 0.53 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( 7.464 8.665 3.474) 11.953 3.155 ( 8.748 21.243 3.994) 23.318 3.512 ( 0.647 11.569 -3.185) 12.016 4.552 ( 10.300 6.876 -10.853) 16.467 5.085 ( 11.294 11.204 4.549) 16.546 5.720 ( 5.603 3.662 3.412) 7.513 8.791 ( -0.176 0.941 1.781) 2.021 8.947 ( 8.032 19.360 0.958) 20.982 10.802 ( -0.814 2.295 -0.831) 2.573 10.933 ( -1.925 -7.303 -14.935) 16.736 12.907 ( -19.423 -23.893 8.084) 31.835 14.955 ( 0.558 -0.388 -4.446) 4.497 ======================= Grid point 968 (336/489) ======================= q-point: ( 0.59 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( 7.083 5.778 -1.082) 9.205 3.492 ( 4.556 20.675 3.092) 21.396 3.618 ( -1.256 12.633 -2.870) 13.015 4.661 ( 2.850 1.366 -10.290) 10.765 5.342 ( 7.739 5.116 3.417) 9.886 5.917 ( 9.632 3.875 5.873) 11.929 8.876 ( 7.015 4.785 0.190) 8.494 9.274 ( 4.887 20.379 1.289) 20.997 10.714 ( -3.711 -7.246 -8.069) 11.462 10.874 ( -0.211 3.350 -3.378) 4.762 12.327 ( -23.820 -18.760 3.599) 30.534 14.984 ( 5.518 -3.813 0.085) 6.707 ======================= Grid point 969 (337/489) ======================= q-point: ( 0.65 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( 4.866 2.716 -4.910) 7.427 3.697 ( -3.685 13.644 -3.038) 14.456 3.739 ( -0.393 19.237 3.015) 19.476 4.665 ( 0.861 0.773 -7.918) 8.002 5.480 ( 4.395 0.129 1.999) 4.830 6.123 ( 8.574 0.217 6.692) 10.879 9.114 ( 13.103 7.016 -1.766) 14.968 9.511 ( -0.729 18.475 0.690) 18.502 10.580 ( 0.189 -7.023 -5.660) 9.022 10.860 ( -6.070 2.163 0.160) 6.446 11.797 ( -20.462 -8.234 0.757) 22.070 15.053 ( 7.895 -6.914 2.270) 10.737 ======================= Grid point 970 (338/489) ======================= q-point: ( 0.71 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( 1.445 0.189 -6.954) 7.105 3.734 ( -6.513 12.999 -2.927) 14.831 3.885 ( -5.309 18.167 2.659) 19.113 4.682 ( 2.626 1.858 -6.308) 7.081 5.515 ( 1.588 -4.044 0.990) 4.456 6.239 ( 4.006 -3.846 7.060) 8.982 9.410 ( 13.174 4.160 -5.141) 14.741 9.616 ( -5.107 14.260 0.448) 15.154 10.566 ( 1.973 1.043 -1.311) 2.588 10.686 ( -9.733 -5.027 2.502) 11.237 11.515 ( -10.330 4.065 -1.163) 11.162 15.123 ( 8.092 -8.729 3.023) 12.281 ======================= Grid point 971 (339/489) ======================= q-point: (-0.24 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( -2.172 -1.419 -6.485) 6.985 3.705 ( -10.150 11.384 -2.751) 15.498 3.938 ( -9.283 16.265 2.081) 18.843 4.756 ( 5.564 2.639 -7.013) 9.333 5.469 ( -0.829 -6.826 1.616) 7.063 6.220 ( -2.603 -6.949 7.057) 10.240 9.456 ( -5.056 -3.868 -2.854) 6.976 9.704 ( -1.888 8.279 -1.630) 8.647 10.503 ( -3.775 7.169 -0.295) 8.107 10.725 ( 8.570 2.023 1.408) 8.917 11.454 ( -3.250 6.345 -0.978) 7.196 15.178 ( 7.445 -8.885 3.129) 12.006 ======================= Grid point 972 (340/489) ======================= q-point: (-0.18 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( -5.569 -2.262 -4.157) 7.309 3.587 ( -14.385 8.659 -1.732) 16.879 3.904 ( -11.970 13.139 0.921) 17.798 4.864 ( 6.494 1.994 -10.568) 12.563 5.376 ( -2.326 -6.995 4.324) 8.546 6.054 ( -10.089 -8.727 7.012) 15.071 9.257 ( -8.898 -8.170 0.264) 12.083 9.600 ( -14.743 3.571 0.354) 15.174 10.665 ( 8.615 9.663 -5.585) 14.099 10.902 ( 6.821 7.847 -2.986) 10.818 11.539 ( 7.503 4.591 2.941) 9.275 15.229 ( 7.049 -7.582 2.595) 10.673 ======================= Grid point 981 (341/489) ======================= q-point: ( 0.35 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( -0.000 21.691 6.174) 22.552 2.198 ( 0.000 12.052 17.863) 21.548 3.181 ( -0.000 4.993 -3.681) 6.204 3.357 ( -0.000 38.401 -3.114) 38.527 3.976 ( -0.000 26.108 6.343) 26.868 5.758 ( -0.000 -4.963 -5.870) 7.687 7.992 ( -0.000 15.439 1.067) 15.476 9.386 ( 0.000 -13.989 6.609) 15.472 10.925 ( 0.000 -6.393 -0.661) 6.427 10.953 ( -0.000 12.377 -29.595) 32.079 13.844 ( 0.000 -24.557 14.691) 28.616 15.205 ( -0.000 5.639 -13.699) 14.814 ======================= Grid point 982 (342/489) ======================= q-point: ( 0.41 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 4.261 15.549 8.514) 18.232 2.371 ( 4.717 16.053 9.825) 19.404 3.260 ( 4.091 5.962 -3.526) 8.045 3.757 ( 6.953 30.752 -7.601) 32.432 4.322 ( 5.745 27.132 8.187) 28.916 5.691 ( -1.018 -2.762 -4.639) 5.494 8.218 ( 6.603 17.406 1.193) 18.655 9.221 ( -5.527 -12.515 4.318) 14.347 10.803 ( -3.397 -1.946 -5.399) 6.669 11.018 ( 4.086 1.699 -19.041) 19.548 13.614 ( -2.532 -26.667 15.227) 30.812 15.186 ( -3.449 4.703 -13.245) 14.472 ======================= Grid point 983 (343/489) ======================= q-point: ( 0.47 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 2.432 9.714 8.345) 13.035 2.771 ( 12.300 20.127 4.519) 24.017 3.407 ( 5.589 8.217 -3.444) 10.517 4.134 ( 10.118 19.420 -8.350) 23.436 4.728 ( 7.883 23.844 6.150) 25.856 5.654 ( -0.351 0.635 -1.769) 1.912 8.562 ( 10.721 19.356 1.849) 22.204 9.008 ( -7.625 -6.617 1.184) 10.165 10.755 ( 0.999 -0.979 -3.113) 3.413 10.990 ( 0.352 -4.280 -15.170) 15.766 13.316 ( -5.803 -28.251 13.737) 31.945 15.099 ( -6.402 3.428 -11.242) 13.383 ======================= Grid point 984 (344/489) ======================= q-point: ( 0.53 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 4.414 8.042 4.288) 10.126 3.200 ( 12.062 19.863 4.214) 23.617 3.581 ( 4.307 11.311 -3.667) 12.646 4.423 ( 9.481 8.820 -7.770) 15.102 5.072 ( 6.675 15.882 2.955) 17.479 5.699 ( 2.620 4.863 2.041) 5.889 8.838 ( -2.825 1.518 1.601) 3.585 8.996 ( 9.766 19.485 0.849) 21.812 10.790 ( 3.725 0.609 -3.834) 5.380 10.860 ( -3.175 -6.726 -10.551) 12.909 12.933 ( -10.537 -27.791 9.960) 31.346 14.984 ( -5.554 1.116 -7.290) 9.232 ======================= Grid point 985 (345/489) ======================= q-point: ( 0.59 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( 5.118 5.693 0.727) 7.690 3.596 ( 9.132 19.326 4.370) 21.817 3.750 ( 1.547 14.768 -3.968) 15.370 4.580 ( 5.231 2.483 -7.690) 9.627 5.297 ( 5.288 7.496 2.494) 9.506 5.839 ( 5.701 5.257 3.859) 8.662 8.850 ( 1.940 4.909 0.621) 5.314 9.382 ( 8.249 21.403 2.189) 23.042 10.664 ( -3.743 -9.827 -10.090) 14.573 10.894 ( 2.982 6.374 -1.394) 7.173 12.472 ( -15.313 -23.435 5.329) 28.497 14.899 ( -1.104 -2.914 -2.864) 4.232 ======================= Grid point 986 (346/489) ======================= q-point: ( 0.65 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.983 ( 4.267 3.243 -2.431) 5.885 3.872 ( 0.172 14.293 -0.492) 14.302 3.944 ( 2.334 21.772 1.282) 21.935 4.629 ( 1.835 1.142 -7.137) 7.457 5.424 ( 3.352 1.313 2.162) 4.200 5.997 ( 7.261 0.374 4.628) 8.618 9.005 ( 7.861 7.924 0.126) 11.162 9.691 ( 2.842 18.788 2.124) 19.120 10.489 ( -1.589 -9.099 -6.592) 11.348 10.987 ( -1.814 8.199 -0.743) 8.430 12.010 ( -15.974 -14.062 1.273) 21.320 14.870 ( 4.073 -7.466 0.262) 8.508 ======================= Grid point 987 (347/489) ======================= q-point: ( 0.71 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.051 ( 2.207 1.355 -4.578) 5.260 3.971 ( -4.750 15.297 -2.497) 16.211 4.172 ( -2.489 21.079 3.816) 21.566 4.647 ( 1.482 2.011 -6.483) 6.947 5.452 ( 0.942 -3.818 0.867) 4.027 6.114 ( 6.854 -5.148 5.577) 10.227 9.249 ( 10.428 7.498 -1.594) 12.942 9.838 ( -4.371 11.529 0.940) 12.365 10.429 ( 5.666 -5.649 -1.939) 8.233 10.944 ( -12.270 7.609 1.403) 14.506 11.705 ( -9.823 -1.061 -2.215) 10.125 14.886 ( 7.770 -10.645 1.708) 13.289 ======================= Grid point 988 (348/489) ======================= q-point: (-0.24 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( -0.536 0.337 -4.953) 4.993 3.994 ( -8.993 14.354 -2.785) 17.166 4.294 ( -8.442 19.751 3.822) 21.817 4.688 ( 2.796 2.914 -6.532) 7.680 5.400 ( 0.120 -7.871 0.746) 7.907 6.155 ( 3.457 -8.550 5.913) 10.955 9.422 ( 2.824 0.071 -3.338) 4.373 9.838 ( -3.467 7.079 0.797) 7.922 10.511 ( 7.406 -5.940 0.205) 9.496 10.831 ( -10.901 17.330 2.589) 20.637 11.587 ( -6.269 3.518 -3.352) 7.931 14.932 ( 9.493 -11.375 1.914) 14.939 ======================= Grid point 989 (349/489) ======================= q-point: (-0.18 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( -3.510 0.053 -3.567) 5.005 3.922 ( -13.362 11.414 -2.256) 17.718 4.293 ( -13.912 16.471 2.022) 21.654 4.757 ( 4.468 2.564 -8.030) 9.540 5.325 ( 0.522 -8.604 2.951) 9.111 6.094 ( -2.431 -9.454 5.623) 11.265 9.316 ( -7.524 -6.740 -1.141) 10.166 9.841 ( -6.836 4.304 0.895) 8.128 10.583 ( 7.916 2.351 -4.950) 9.628 10.960 ( -0.406 18.463 3.226) 18.747 11.519 ( -1.729 0.473 -1.416) 2.284 14.998 ( 9.814 -9.895 1.167) 13.985 ======================= Grid point 999 (350/489) ======================= q-point: ( 0.41 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 0.000 9.337 10.070) 13.733 2.502 ( -0.000 19.186 3.887) 19.576 3.260 ( -0.000 5.205 -3.750) 6.416 3.964 ( -0.000 25.671 -8.517) 27.047 4.593 ( -0.000 29.673 7.880) 30.702 5.669 ( -0.000 -0.405 -3.122) 3.149 8.335 ( -0.000 17.794 0.606) 17.804 9.170 ( 0.000 -9.318 2.267) 9.590 10.804 ( 0.000 -4.987 -0.220) 4.991 10.911 ( -0.000 -0.269 -19.904) 19.906 13.407 ( 0.000 -28.693 14.756) 32.265 15.229 ( -0.000 5.350 -12.234) 13.352 ======================= Grid point 1000 (351/489) ======================= q-point: ( 0.47 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 0.552 7.901 6.360) 10.158 2.779 ( 8.977 17.633 3.430) 20.082 3.355 ( 5.947 5.840 -3.596) 9.078 4.187 ( 3.270 17.640 -7.502) 19.446 4.920 ( 2.060 26.188 4.933) 26.728 5.675 ( -0.205 3.792 -0.594) 3.844 8.586 ( 7.920 18.163 0.627) 19.825 9.059 ( -4.411 -4.587 -0.914) 6.429 10.736 ( -1.345 -2.009 -2.216) 3.279 10.868 ( 2.509 -5.774 -11.927) 13.487 13.136 ( -2.473 -30.220 13.034) 33.003 15.206 ( -4.566 4.859 -10.668) 12.581 ======================= Grid point 1001 (352/489) ======================= q-point: ( 0.53 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( 2.236 6.431 3.638) 7.720 3.162 ( 13.766 16.248 3.462) 21.575 3.547 ( 9.097 8.131 -3.784) 12.775 4.371 ( 4.681 9.381 -5.537) 11.857 5.183 ( 1.421 17.446 1.464) 17.565 5.745 ( 0.657 8.987 2.027) 9.236 8.908 ( 0.777 6.612 0.336) 6.666 9.001 ( 7.519 13.145 -1.666) 15.235 10.711 ( 0.991 -3.927 -5.302) 6.672 10.806 ( 1.076 -3.381 -4.555) 5.774 12.804 ( -5.071 -30.297 10.219) 32.373 15.105 ( -7.995 3.296 -8.268) 11.965 ======================= Grid point 1002 (353/489) ======================= q-point: ( 0.59 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( 3.474 4.765 1.587) 6.107 3.574 ( 14.037 14.289 4.015) 20.429 3.795 ( 8.671 12.938 -4.448) 16.198 4.498 ( 4.621 3.183 -4.088) 6.942 5.332 ( 0.913 8.690 0.982) 8.793 5.867 ( 0.788 9.699 2.371) 10.015 8.900 ( -1.335 5.626 -1.223) 5.910 9.407 ( 13.096 18.926 1.110) 23.042 10.595 ( -2.761 -9.139 -7.252) 11.989 10.876 ( 5.345 5.054 -0.669) 7.386 12.430 ( -7.617 -27.375 6.898) 29.240 14.957 ( -8.221 0.283 -5.218) 9.742 ======================= Grid point 1003 (354/489) ======================= q-point: ( 0.65 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( 3.470 3.080 -0.306) 4.650 3.925 ( 9.588 11.579 2.450) 15.231 4.076 ( 6.678 19.022 -2.241) 20.284 4.574 ( 3.524 0.986 -4.159) 5.540 5.409 ( 1.214 2.292 2.022) 3.289 5.955 ( 0.404 4.126 1.855) 4.541 8.992 ( 3.689 8.973 -0.249) 9.705 9.778 ( 8.254 15.837 1.827) 17.952 10.424 ( -3.761 -8.629 -5.540) 10.922 11.047 ( 5.380 9.191 -1.056) 10.702 12.061 ( -8.735 -19.907 3.593) 22.034 14.810 ( -4.860 -4.118 -2.226) 6.748 ======================= Grid point 1004 (355/489) ======================= q-point: ( 0.71 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.016 ( 2.440 1.856 -1.932) 3.624 4.147 ( 1.849 13.455 -1.219) 13.636 4.368 ( 4.345 18.045 3.959) 18.978 4.624 ( 2.124 2.968 -6.127) 7.132 5.425 ( -0.487 -2.075 1.254) 2.473 5.982 ( 2.415 -4.289 2.800) 5.663 9.186 ( 7.000 9.876 -0.075) 12.105 9.988 ( -0.185 9.023 1.266) 9.113 10.288 ( 0.822 -7.889 -2.807) 8.414 11.188 ( -2.416 11.762 0.482) 12.017 11.796 ( -5.659 -7.497 -0.445) 9.403 14.706 ( 0.818 -8.489 -0.063) 8.529 ======================= Grid point 1005 (356/489) ======================= q-point: ( 0.76 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( 0.740 1.381 -2.748) 3.163 4.256 ( -4.568 14.090 -2.061) 14.955 4.565 ( -1.348 10.492 4.728) 11.586 4.695 ( 1.661 10.666 -5.246) 12.002 5.352 ( -3.550 -5.422 -0.911) 6.545 5.986 ( 5.640 -10.779 4.358) 12.922 9.383 ( 4.512 6.427 -1.090) 7.928 9.964 ( -5.820 2.474 0.345) 6.333 10.306 ( 8.070 -6.592 -0.271) 10.424 11.209 ( -9.521 15.396 3.524) 18.442 11.694 ( -4.096 1.306 -4.136) 5.966 14.675 ( 6.559 -10.519 0.773) 12.421 ======================= Grid point 1006 (357/489) ======================= q-point: (-0.18 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.053 ( -1.454 1.575 -2.382) 3.205 4.249 ( -10.945 12.090 -2.087) 16.441 4.592 ( -3.135 3.794 -0.976) 5.017 4.810 ( -5.255 16.071 -0.874) 16.931 5.223 ( -0.470 -9.692 0.068) 9.703 5.983 ( 4.834 -11.409 4.359) 13.135 9.391 ( -6.138 -1.277 -1.022) 6.352 9.940 ( -1.341 3.302 1.197) 3.759 10.397 ( 9.954 -4.317 -2.492) 11.132 11.254 ( -6.002 19.210 5.091) 20.760 11.587 ( -7.523 -0.944 -4.503) 8.819 14.724 ( 10.079 -9.214 0.195) 13.658 ======================= Grid point 1017 (358/489) ======================= q-point: ( 0.47 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 0.000 6.038 4.021) 7.254 2.870 ( -0.000 15.563 2.706) 15.797 3.339 ( -0.000 4.992 -3.514) 6.105 4.295 ( -0.000 12.879 -6.015) 14.215 5.164 ( -0.000 21.863 2.419) 21.996 5.741 ( -0.000 9.266 1.290) 9.356 8.684 ( -0.000 16.398 -0.178) 16.399 9.059 ( -0.000 -1.302 -4.005) 4.211 10.737 ( 0.000 -1.582 0.388) 1.629 10.737 ( -0.000 -6.660 -8.693) 10.951 12.886 ( 0.000 -31.531 11.067) 33.417 15.268 ( -0.000 5.373 -9.349) 10.783 ======================= Grid point 1018 (359/489) ======================= q-point: ( 0.53 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( 0.781 4.654 2.534) 5.357 3.109 ( 9.431 13.359 2.654) 16.567 3.446 ( 7.634 5.574 -3.440) 10.059 4.394 ( 1.381 7.627 -3.876) 8.667 5.343 ( -0.664 13.857 0.087) 13.873 5.867 ( -0.210 14.358 2.299) 14.542 8.920 ( 8.323 14.103 -0.181) 16.377 9.026 ( -1.412 3.699 -5.799) 7.022 10.643 ( -0.613 -6.652 -3.410) 7.500 10.751 ( 1.914 0.203 -0.181) 1.933 12.583 ( -1.938 -31.577 8.488) 32.755 15.244 ( -5.588 4.774 -7.692) 10.639 ======================= Grid point 1019 (360/489) ======================= q-point: ( 0.59 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 2.182 3.573 2.002) 4.640 3.452 ( 14.482 10.414 3.125) 18.110 3.687 ( 13.304 8.482 -3.901) 16.252 4.469 ( 1.890 3.537 -1.721) 4.364 5.426 ( -1.687 7.576 -0.152) 7.763 6.005 ( -1.698 13.902 1.282) 14.064 8.986 ( -2.331 6.470 -4.148) 8.031 9.317 ( 15.991 14.486 -0.717) 21.589 10.543 ( -2.314 -6.687 -2.103) 7.382 10.823 ( 4.720 2.937 0.365) 5.571 12.256 ( -3.037 -29.093 6.105) 29.881 15.125 ( -10.077 3.096 -5.788) 12.026 ======================= Grid point 1020 (361/489) ======================= q-point: ( 0.65 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( 2.761 2.564 1.503) 4.057 3.807 ( 14.846 7.460 2.699) 16.833 4.039 ( 15.440 13.349 -3.660) 20.735 4.522 ( 2.130 1.047 -0.337) 2.398 5.444 ( -1.999 2.427 0.926) 3.278 6.070 ( -4.632 8.988 -0.270) 10.115 9.042 ( 0.999 9.376 -2.116) 9.664 9.724 ( 14.229 11.720 -0.010) 18.434 10.419 ( -4.631 -4.535 -2.074) 6.805 10.977 ( 9.147 4.047 -0.300) 10.007 11.957 ( -2.988 -22.524 4.541) 23.170 14.934 ( -11.749 0.360 -3.722) 12.330 ======================= Grid point 1021 (362/489) ======================= q-point: ( 0.71 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( 2.409 1.812 0.636) 3.081 4.126 ( 12.368 7.664 1.013) 14.585 4.419 ( 10.691 15.340 -0.155) 18.699 4.574 ( 4.079 1.067 -2.126) 4.722 5.417 ( -1.302 -2.690 2.064) 3.632 6.019 ( -7.213 1.927 -0.948) 7.526 9.189 ( 4.558 10.469 -0.397) 11.425 9.993 ( 7.415 3.752 0.704) 8.340 10.281 ( -6.799 -2.140 -1.948) 7.390 11.208 ( 10.951 6.300 -1.681) 12.745 11.757 ( -1.269 -11.650 3.500) 12.230 14.722 ( -9.579 -2.988 -1.712) 10.179 ======================= Grid point 1022 (363/489) ======================= q-point: ( 0.76 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( 1.562 1.619 -0.304) 2.270 4.368 ( 5.126 8.394 -0.681) 9.859 4.617 ( 4.059 3.634 4.391) 6.998 4.742 ( 4.749 12.310 -4.938) 14.088 5.376 ( -0.217 -2.922 1.156) 3.150 5.870 ( -5.744 -7.266 0.218) 9.265 9.377 ( 5.044 8.473 -0.005) 9.860 10.085 ( 0.286 0.507 0.499) 0.767 10.139 ( -2.794 -4.723 -0.880) 5.558 11.405 ( 2.526 7.585 0.000) 7.995 11.710 ( 1.626 -0.897 0.233) 1.872 14.559 ( -3.393 -5.362 -0.246) 6.350 ======================= Grid point 1023 (364/489) ======================= q-point: (-0.18 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.076 ( 0.348 2.049 -0.833) 2.239 4.461 ( -1.520 5.789 -0.291) 5.992 4.681 ( -6.416 7.207 -4.872) 10.809 4.895 ( 8.832 -0.180 6.099) 10.735 5.322 ( -11.459 7.871 -3.808) 14.414 5.749 ( 6.571 -14.779 3.106) 16.469 9.474 ( -1.773 2.765 -0.285) 3.297 10.011 ( -4.355 1.958 1.385) 4.972 10.177 ( 8.625 -4.268 -1.764) 9.784 11.456 ( -2.465 3.224 2.576) 4.807 11.721 ( -4.299 4.946 -2.381) 6.972 14.516 ( 4.441 -4.616 -0.071) 6.406 ======================= Grid point 1035 (365/489) ======================= q-point: ( 0.53 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 0.000 3.254 2.190) 3.922 3.152 ( -0.000 10.880 2.317) 11.124 3.415 ( -0.000 4.782 -3.035) 5.664 4.437 ( -0.000 4.920 -1.969) 5.299 5.465 ( -0.000 9.356 -0.773) 9.388 6.035 ( -0.000 16.452 1.569) 16.527 8.966 ( -0.000 11.903 -0.599) 11.918 9.060 ( -0.000 4.962 -7.523) 9.012 10.581 ( 0.000 -5.739 0.768) 5.790 10.748 ( -0.000 2.088 0.609) 2.175 12.304 ( 0.000 -31.546 5.850) 32.084 15.323 ( -0.000 5.032 -6.563) 8.270 ======================= Grid point 1036 (366/489) ======================= q-point: ( 0.59 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( 1.019 2.547 2.862) 3.965 3.338 ( 9.278 7.796 2.507) 12.376 3.537 ( 9.408 5.646 -3.004) 11.376 4.478 ( 0.657 2.861 -0.028) 2.936 5.524 ( -1.652 5.964 -0.893) 6.253 6.182 ( -1.552 14.204 -0.026) 14.288 9.076 ( -1.502 7.803 -5.397) 9.606 9.183 ( 11.551 9.798 -1.412) 15.212 10.527 ( -1.534 -3.899 2.644) 4.954 10.792 ( 1.966 2.603 0.516) 3.303 12.008 ( -0.418 -28.996 3.552) 29.216 15.294 ( -6.509 4.249 -5.327) 9.424 ======================= Grid point 1037 (367/489) ======================= q-point: ( 0.65 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( 1.951 2.016 3.462) 4.456 3.616 ( 14.218 4.626 2.472) 15.154 3.831 ( 17.506 7.627 -3.019) 19.333 4.517 ( 0.795 1.778 1.613) 2.529 5.522 ( -3.400 2.664 -0.400) 4.338 6.248 ( -4.583 9.663 -1.741) 10.835 9.128 ( -0.736 9.902 -2.789) 10.313 9.536 ( 17.569 7.786 -0.959) 19.241 10.469 ( -3.321 -0.245 1.708) 3.743 10.859 ( 4.751 -1.231 0.214) 4.912 11.763 ( 0.996 -21.593 2.708) 21.785 15.153 ( -11.903 2.802 -4.004) 12.867 ======================= Grid point 1038 (368/489) ======================= q-point: ( 0.71 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( 2.111 1.426 3.167) 4.064 3.928 ( 16.155 3.393 1.969) 16.625 4.244 ( 20.966 8.625 -3.336) 22.915 4.552 ( 0.603 1.449 3.060) 3.439 5.456 ( -4.910 -1.311 0.448) 5.102 6.197 ( -8.665 4.525 -2.970) 10.216 9.234 ( 1.812 10.113 -0.135) 10.275 9.852 ( 11.612 1.488 -0.462) 11.716 10.415 ( -6.534 4.532 -0.327) 7.959 10.969 ( 14.058 -5.208 -1.214) 15.041 11.648 ( 2.689 -10.053 3.589) 11.008 14.929 ( -14.571 1.161 -2.527) 14.834 ======================= Grid point 1039 (369/489) ======================= q-point: ( 0.76 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.029 ( 1.891 1.099 2.111) 3.040 4.240 ( 15.058 2.883 1.313) 15.388 4.583 ( 3.049 0.347 1.706) 3.511 4.676 ( 16.014 10.428 -2.081) 19.223 5.338 ( -4.025 -6.041 1.863) 7.495 6.023 ( -12.774 0.040 -3.380) 13.213 9.374 ( 3.844 6.547 0.819) 7.636 9.967 ( 5.001 -3.325 -0.344) 6.016 10.305 ( -10.123 3.307 -0.158) 10.651 11.244 ( 18.600 0.381 -3.826) 18.994 11.651 ( 3.210 -3.478 4.724) 6.687 14.683 ( -13.005 0.256 -0.995) 13.046 ======================= Grid point 1053 (370/489) ======================= q-point: ( 0.59 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( 0.000 1.937 4.453) 4.856 3.328 ( 0.000 5.235 2.220) 5.686 3.494 ( -0.000 4.778 -2.311) 5.307 4.501 ( 0.000 2.249 1.578) 2.748 5.587 ( -0.000 4.179 -1.281) 4.371 6.323 ( -0.000 11.303 -1.590) 11.415 9.150 ( -0.000 6.921 -0.099) 6.922 9.164 ( -0.000 9.492 -4.516) 10.512 10.522 ( 0.000 -2.459 4.563) 5.183 10.808 ( -0.000 3.147 -0.000) 3.147 11.734 ( 0.000 -26.558 0.899) 26.574 15.379 ( -0.000 4.011 -4.641) 6.134 ======================= Grid point 1054 (371/489) ======================= q-point: ( 0.65 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( 0.916 1.526 5.758) 6.026 3.454 ( 8.870 2.623 2.174) 9.502 3.628 ( 10.834 4.652 -2.010) 11.961 4.534 ( 0.395 2.233 3.025) 3.780 5.595 ( -2.304 2.038 -1.256) 3.323 6.387 ( -2.470 6.907 -3.165) 7.989 9.246 ( -1.252 11.224 -0.509) 11.305 9.323 ( 12.388 4.797 -0.120) 13.285 10.510 ( -0.380 -0.990 3.466) 3.624 10.819 ( -1.454 -0.692 -0.746) 1.775 11.525 ( 3.094 -18.509 -0.067) 18.766 15.340 ( -7.022 3.107 -3.890) 8.608 ======================= Grid point 1055 (372/489) ======================= q-point: ( 0.71 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.968 ( 1.401 0.763 5.667) 5.888 3.684 ( 14.488 0.926 2.200) 14.683 3.932 ( 19.429 3.870 -2.162) 19.928 4.577 ( 0.341 2.659 4.320) 5.085 5.537 ( -4.901 -0.542 -1.026) 5.037 6.350 ( -5.815 2.340 -4.390) 7.653 9.334 ( -1.348 9.627 2.568) 10.054 9.624 ( 15.939 2.339 -0.360) 16.114 10.545 ( 1.577 5.684 0.949) 5.975 10.726 ( -0.438 -10.207 -1.671) 10.352 11.490 ( 6.278 -6.970 1.321) 9.473 15.182 ( -12.659 2.250 -2.933) 13.188 ======================= Grid point 1056 (373/489) ======================= q-point: (-0.24 -0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.013 ( 1.656 -0.089 4.310) 4.618 3.970 ( 17.005 -0.632 2.245) 17.164 4.328 ( 22.478 2.060 -3.225) 22.801 4.628 ( 0.815 3.354 5.811) 6.759 5.408 ( -7.441 -3.195 -0.835) 8.140 6.207 ( -9.563 -1.106 -4.861) 10.784 9.393 ( -0.261 2.439 2.899) 3.798 9.845 ( 7.994 0.389 -0.679) 8.032 10.513 ( -9.442 2.601 -0.233) 9.797 10.854 ( 21.563 -0.225 -2.296) 21.686 11.556 ( 5.125 -3.357 3.014) 6.828 14.949 ( -15.250 2.256 -1.659) 15.505 ======================= Grid point 1071 (374/489) ======================= q-point: ( 0.65 0.65 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( 0.000 0.949 7.631) 7.690 3.396 ( 0.000 0.668 1.800) 1.920 3.565 ( -0.000 3.131 -1.235) 3.366 4.568 ( 0.000 3.071 4.463) 5.418 5.625 ( -0.000 0.577 -1.643) 1.742 6.444 ( -0.000 2.574 -4.566) 5.241 9.249 ( -0.000 2.829 0.867) 2.959 9.383 ( -0.000 12.188 3.838) 12.778 10.485 ( 0.000 -4.993 1.463) 5.203 10.849 ( -0.000 0.885 -0.985) 1.324 11.330 ( 0.000 -11.131 -1.803) 11.276 15.418 ( -0.000 2.407 -3.709) 4.422 ======================= Grid point 1072 (375/489) ======================= q-point: (-0.29 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( 0.381 -0.225 7.707) 7.719 3.481 ( 9.102 -1.079 1.871) 9.354 3.683 ( 11.034 1.709 -1.083) 11.218 4.622 ( 0.094 4.164 5.859) 7.189 5.592 ( -2.783 -1.424 -1.840) 3.628 6.409 ( -2.552 -1.991 -5.716) 6.568 9.369 ( 9.545 -0.032 0.885) 9.586 9.503 ( -0.448 10.124 7.069) 12.356 10.450 ( 3.206 -5.819 -1.184) 6.748 10.789 ( -5.824 0.501 -1.437) 6.019 11.330 ( 6.194 -1.044 -0.985) 6.358 15.365 ( -6.931 1.715 -3.327) 7.877 ======================= Grid point 1073 (376/489) ======================= q-point: (-0.24 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( 0.841 -1.844 5.972) 6.307 3.681 ( 14.758 -2.871 2.256) 15.203 3.955 ( 19.295 -0.339 -1.530) 19.359 4.688 ( -0.329 5.016 7.102) 8.701 5.488 ( -5.627 -3.372 -2.211) 6.923 6.284 ( -5.117 -5.580 -6.194) 9.782 9.426 ( -1.564 -4.427 3.284) 5.729 9.686 ( 10.879 2.318 2.074) 11.315 10.502 ( 7.414 -2.637 -0.255) 7.874 10.737 ( -1.977 8.554 -1.055) 8.843 11.447 ( 5.822 1.206 0.345) 5.956 15.205 ( -11.997 1.846 -2.519) 12.396 ======================= Grid point 1089 (377/489) ======================= q-point: (-0.29 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( 0.000 -1.710 8.406) 8.578 3.380 ( 0.000 -3.320 1.178) 3.523 3.596 ( -0.000 0.478 -0.330) 0.581 4.693 ( 0.000 5.808 7.634) 9.592 5.587 ( -0.000 -3.213 -2.423) 4.024 6.365 ( -0.000 -6.810 -6.834) 9.648 9.273 ( 0.000 -1.364 1.359) 1.926 9.614 ( 0.000 1.930 9.061) 9.264 10.389 ( -0.000 1.576 -0.818) 1.776 10.826 ( -0.000 -2.250 -1.469) 2.687 11.303 ( -0.000 7.884 -2.578) 8.295 15.428 ( -0.000 0.984 -3.597) 3.729 ======================= Grid point 1090 (378/489) ======================= q-point: (-0.24 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( -0.295 -3.984 6.775) 7.865 3.430 ( 9.750 -5.396 1.428) 11.235 3.684 ( 10.246 -1.061 -0.394) 10.309 4.781 ( -0.482 6.867 9.263) 11.540 5.512 ( -2.825 -5.079 -3.176) 6.623 6.237 ( -1.734 -10.888 -7.399) 13.278 9.320 ( 6.248 -5.638 0.740) 8.448 9.586 ( 0.328 -8.317 4.291) 9.364 10.482 ( 0.953 12.524 4.232) 13.254 10.803 ( 0.694 1.000 -0.420) 1.287 11.422 ( 2.617 10.294 -2.983) 11.032 15.369 ( -6.229 0.971 -3.450) 7.187 ======================= Grid point 1107 (379/489) ======================= q-point: (-0.24 -0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( 0.000 -6.519 6.366) 9.112 3.273 ( 0.000 -8.122 0.408) 8.132 3.583 ( 0.000 -1.615 0.168) 1.624 4.892 ( 0.000 7.481 11.548) 13.760 5.464 ( -0.000 -6.853 -4.336) 8.109 6.092 ( -0.000 -15.588 -8.209) 17.618 9.199 ( 0.000 -7.050 0.869) 7.103 9.472 ( 0.000 -14.967 -0.042) 14.967 10.706 ( 0.000 23.361 12.213) 26.361 10.759 ( 0.000 -3.038 -0.971) 3.190 11.524 ( -0.000 15.306 -5.491) 16.261 15.418 ( -0.000 0.689 -4.106) 4.163 ======================= Grid point 1234 (380/489) ======================= q-point: ( 0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 0.000 -0.000 19.713) 19.713 0.882 ( 0.000 -0.000 19.713) 19.713 1.805 ( 0.000 -0.000 42.224) 42.224 3.023 ( -0.000 0.000 -3.309) 3.309 3.023 ( -0.000 0.000 -3.309) 3.309 6.736 ( -0.000 0.000 -14.605) 14.605 7.519 ( 0.000 -0.000 1.101) 1.101 7.519 ( 0.000 -0.000 1.101) 1.101 11.178 ( -0.000 0.000 -0.834) 0.834 11.178 ( -0.000 0.000 -0.834) 0.834 14.584 ( 0.000 -0.000 3.017) 3.017 14.846 ( -0.000 0.000 -1.530) 1.530 ======================= Grid point 1235 (381/489) ======================= q-point: ( 0.29 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 13.107 7.567 15.891) 21.945 1.346 ( 23.958 13.832 17.156) 32.552 2.037 ( 11.173 6.451 31.754) 34.275 3.024 ( 1.397 0.806 -3.415) 3.777 3.172 ( 12.812 7.397 -1.921) 14.918 6.194 ( -17.607 -10.165 -3.684) 20.661 7.587 ( 5.050 2.915 1.099) 5.934 8.710 ( 62.743 36.225 -25.304) 76.741 10.895 ( -20.313 -11.728 -2.750) 23.616 11.142 ( -2.777 -1.603 -0.843) 3.316 14.512 ( -6.826 -3.941 5.219) 9.453 14.977 ( 8.928 5.155 -7.570) 12.790 ======================= Grid point 1236 (382/489) ======================= q-point: ( 0.35 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 19.039 10.992 10.710) 24.454 1.808 ( 10.156 5.864 24.468) 27.134 2.607 ( 31.503 18.188 7.482) 37.137 3.064 ( 2.975 1.718 -3.386) 4.823 3.566 ( 20.478 11.823 1.978) 23.728 5.912 ( -7.724 -4.459 -6.056) 10.780 7.756 ( 9.248 5.339 0.991) 10.724 9.607 ( 9.980 5.762 -3.948) 12.181 10.552 ( 5.108 2.949 -23.738) 24.460 11.051 ( -4.655 -2.688 -0.825) 5.438 14.328 ( -10.923 -6.307 10.137) 16.182 15.083 ( 2.217 1.280 -13.061) 13.310 ======================= Grid point 1237 (383/489) ======================= q-point: ( 0.41 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 19.808 11.436 7.218) 23.985 2.074 ( 8.409 4.855 19.099) 21.425 3.136 ( 4.033 2.328 -3.259) 5.684 3.392 ( 33.912 19.579 -2.999) 39.273 4.083 ( 22.469 12.973 5.565) 26.536 5.754 ( -4.600 -2.656 -6.193) 8.159 8.014 ( 12.698 7.331 0.826) 14.686 9.350 ( -19.551 -11.288 5.655) 23.273 10.875 ( 18.588 10.732 -26.889) 34.405 10.933 ( -5.105 -2.947 -0.760) 5.943 14.071 ( -15.208 -8.780 14.051) 22.490 15.018 ( -2.709 -1.564 -14.313) 14.651 ======================= Grid point 1238 (384/489) ======================= q-point: ( 0.47 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 10.711 6.184 11.133) 16.641 2.451 ( 18.102 10.451 4.939) 21.478 3.224 ( 4.438 2.563 -3.076) 5.977 4.087 ( 26.889 15.524 -8.590) 32.215 4.602 ( 20.101 11.605 7.246) 24.315 5.668 ( -1.026 -0.592 -3.078) 3.299 8.334 ( 14.552 8.402 0.606) 16.814 8.976 ( -12.680 -7.321 3.335) 15.017 10.824 ( -3.938 -2.274 -0.592) 4.586 11.074 ( 5.321 3.072 -20.520) 21.420 13.679 ( -22.947 -13.248 11.774) 28.995 14.939 ( 0.223 0.129 -9.198) 9.202 ======================= Grid point 1239 (385/489) ======================= q-point: ( 0.53 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( 11.452 6.612 4.238) 13.886 2.847 ( 15.053 8.691 3.393) 17.710 3.316 ( 4.179 2.413 -2.843) 5.600 4.528 ( 13.610 7.858 -12.515) 20.090 5.034 ( 15.186 8.767 6.658) 18.756 5.721 ( 6.253 3.610 2.647) 7.690 8.669 ( 13.958 8.059 0.244) 16.119 8.813 ( -2.066 -1.193 1.714) 2.937 10.758 ( -1.529 -0.883 -0.227) 1.780 11.027 ( -3.246 -1.874 -16.207) 16.634 13.091 ( -29.885 -17.254 6.115) 35.046 14.983 ( 4.637 2.677 -1.760) 5.636 ======================= Grid point 1240 (386/489) ======================= q-point: ( 0.59 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( 9.667 5.581 -1.660) 11.286 3.161 ( 11.293 6.520 2.209) 13.226 3.395 ( 3.345 1.931 -2.450) 4.574 4.661 ( 2.977 1.719 -11.963) 12.448 5.339 ( 9.804 5.660 4.697) 12.257 5.948 ( 10.719 6.189 6.225) 13.855 8.885 ( 7.692 4.441 0.009) 8.882 8.960 ( 10.960 6.328 -0.325) 12.660 10.753 ( 0.957 0.553 0.376) 1.167 10.869 ( -5.794 -3.345 -12.216) 13.928 12.385 ( -31.543 -18.211 3.009) 36.547 15.111 ( 5.820 3.360 2.423) 7.144 ======================= Grid point 1241 (387/489) ======================= q-point: ( 0.65 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.048 ( 6.031 3.482 -6.515) 9.537 3.375 ( 6.489 3.746 0.247) 7.497 3.456 ( 2.783 1.607 -0.920) 3.343 4.660 ( 0.857 0.495 -8.697) 8.753 5.520 ( 5.065 2.924 2.605) 6.402 6.193 ( 7.758 4.479 7.300) 11.556 9.143 ( 14.475 8.357 -2.799) 16.947 9.164 ( 6.849 3.954 -0.954) 7.965 10.702 ( -6.095 -3.519 -7.604) 10.361 10.792 ( 1.821 1.051 1.046) 2.348 11.713 ( -26.100 -15.069 2.657) 30.255 15.245 ( 4.588 2.649 3.864) 6.557 ======================= Grid point 1242 (388/489) ======================= q-point: ( 0.71 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( 1.745 1.008 -9.278) 9.495 3.436 ( 0.080 0.046 -2.214) 2.216 3.540 ( 3.400 1.963 1.370) 4.158 4.678 ( 3.159 1.824 -6.556) 7.502 5.593 ( 0.726 0.419 1.339) 1.579 6.325 ( 1.347 0.778 7.686) 7.842 9.271 ( 2.819 1.627 -1.349) 3.524 9.495 ( 16.101 9.296 -7.419) 20.017 10.509 ( -9.825 -5.672 -0.955) 11.385 10.825 ( 0.400 0.231 1.470) 1.541 11.289 ( -9.564 -5.522 2.367) 11.295 15.339 ( 2.493 1.439 4.177) 5.073 ======================= Grid point 1243 (389/489) ======================= q-point: (-0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.076 ( -2.156 -1.245 -9.053) 9.389 3.393 ( -3.262 -1.883 -1.476) 4.045 3.591 ( 0.768 0.443 0.666) 1.109 4.766 ( 6.181 3.568 -7.420) 10.295 5.566 ( -3.314 -1.913 1.778) 4.219 6.295 ( -6.186 -3.572 7.872) 10.630 9.286 ( -1.249 -0.721 -1.322) 1.957 9.696 ( -0.961 -0.555 -7.807) 7.885 10.387 ( 5.060 2.921 -0.485) 5.863 10.812 ( -1.876 -1.083 1.449) 2.606 11.277 ( 6.139 3.544 2.673) 7.575 15.390 ( 0.892 0.515 4.271) 4.393 ======================= Grid point 1252 (390/489) ======================= q-point: ( 0.29 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 0.000 16.512 14.137) 21.737 1.357 ( 0.000 29.843 15.622) 33.684 2.137 ( 0.000 9.457 31.821) 33.197 3.033 ( -0.000 2.543 -3.534) 4.354 3.136 ( -0.000 13.145 -1.797) 13.268 6.181 ( 0.000 -20.372 -4.785) 20.927 7.570 ( -0.000 4.984 1.157) 5.116 8.634 ( -0.000 68.484 -20.958) 71.619 10.928 ( 0.000 -18.592 -3.996) 19.017 11.140 ( 0.000 -3.207 -0.832) 3.313 14.515 ( 0.000 -9.214 5.399) 10.679 14.949 ( -0.000 8.950 -6.667) 11.160 ======================= Grid point 1253 (391/489) ======================= q-point: ( 0.35 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 7.466 20.237 10.918) 24.176 1.812 ( 9.579 17.318 20.719) 28.653 2.455 ( 13.168 21.903 13.211) 28.769 3.057 ( 0.765 4.160 -3.425) 5.443 3.411 ( 13.011 16.725 1.410) 21.236 5.945 ( -5.459 -9.494 -6.029) 12.502 7.693 ( 5.849 7.641 1.113) 9.687 9.397 ( 21.455 30.900 -11.661) 39.384 10.599 ( -11.926 -7.052 -14.350) 19.947 11.083 ( -2.166 -3.564 -1.152) 4.327 14.389 ( -4.141 -12.516 8.887) 15.899 15.034 ( 2.228 5.323 -11.146) 12.551 ======================= Grid point 1254 (392/489) ======================= q-point: ( 0.41 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 12.690 20.241 7.862) 25.150 2.099 ( 4.056 8.012 21.270) 23.088 3.089 ( 25.863 27.388 -2.077) 37.726 3.120 ( 1.885 5.681 -3.155) 6.766 3.880 ( 19.190 17.042 5.040) 26.155 5.774 ( -4.095 -4.687 -6.543) 9.031 7.921 ( 9.261 10.833 1.037) 14.289 9.523 ( -11.688 -14.283 7.002) 19.739 10.617 ( 12.813 15.914 -26.044) 33.101 10.998 ( -3.606 -1.155 -2.799) 4.709 14.185 ( -7.551 -15.256 12.763) 21.276 15.022 ( -2.640 1.627 -14.002) 14.342 ======================= Grid point 1255 (393/489) ======================= q-point: ( 0.47 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 6.571 8.767 12.808) 16.855 2.353 ( 12.579 18.383 6.964) 23.338 3.209 ( 2.199 6.877 -2.920) 7.788 3.783 ( 25.821 21.845 -7.378) 34.617 4.405 ( 19.819 15.005 6.706) 25.747 5.669 ( -1.838 -1.874 -4.605) 5.301 8.227 ( 11.316 13.643 1.004) 17.754 9.135 ( -14.715 -12.404 4.699) 19.811 10.818 ( 3.371 -1.504 -6.564) 7.531 10.970 ( 2.306 6.051 -15.260) 16.577 13.878 ( -14.004 -18.768 12.322) 26.461 14.935 ( -2.772 1.523 -11.319) 11.752 ======================= Grid point 1256 (394/489) ======================= q-point: ( 0.53 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 8.137 7.948 7.103) 13.411 2.768 ( 11.480 17.941 4.067) 21.684 3.309 ( 1.832 7.626 -2.623) 8.270 4.316 ( 17.805 12.878 -10.588) 24.392 4.877 ( 16.565 11.369 6.398) 21.085 5.669 ( 3.481 1.989 -0.143) 4.011 8.574 ( 11.189 15.170 0.977) 18.875 8.868 ( -6.694 -5.045 2.981) 8.896 10.784 ( -1.816 -0.724 -0.769) 2.101 10.978 ( 0.192 -1.638 -16.233) 16.316 13.386 ( -23.186 -21.066 6.719) 32.039 14.926 ( 2.716 1.772 -3.803) 4.998 ======================= Grid point 1257 (395/489) ======================= q-point: ( 0.59 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 8.381 6.563 1.132) 10.705 3.122 ( 8.082 16.490 2.589) 18.545 3.404 ( 0.893 7.987 -2.161) 8.322 4.571 ( 6.626 4.379 -11.503) 13.979 5.232 ( 11.599 7.082 5.158) 14.536 5.838 ( 10.149 5.396 4.091) 12.201 8.820 ( 3.349 1.399 2.122) 4.204 8.910 ( 8.058 15.335 0.397) 17.327 10.759 ( -1.167 0.579 -0.668) 1.464 10.868 ( -2.727 -4.135 -12.417) 13.369 12.733 ( -28.866 -20.273 2.409) 35.356 15.021 ( 6.735 0.329 1.620) 6.935 ======================= Grid point 1258 (396/489) ======================= q-point: ( 0.65 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.958 ( 6.434 4.191 -4.121) 8.715 3.385 ( 3.488 14.430 0.668) 14.861 3.485 ( -0.185 8.428 -0.862) 8.474 4.620 ( 1.479 1.130 -9.138) 9.326 5.454 ( 6.936 3.120 3.374) 8.320 6.096 ( 10.666 4.321 5.928) 12.946 8.985 ( 10.927 5.508 0.063) 12.237 9.169 ( 3.845 14.594 -0.044) 15.092 10.691 ( -1.823 -5.818 -7.144) 9.392 10.808 ( -1.140 2.718 -1.487) 3.301 12.049 ( -28.433 -15.888 1.209) 32.594 15.151 ( 7.645 -1.774 3.697) 8.676 ======================= Grid point 1259 (397/489) ======================= q-point: ( 0.71 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( 3.192 1.631 -7.779) 8.566 3.501 ( -2.640 9.160 -2.637) 9.891 3.588 ( -0.325 11.496 2.040) 11.680 4.630 ( 1.861 1.358 -6.686) 7.072 5.562 ( 3.169 -0.326 1.853) 3.685 6.291 ( 6.044 0.739 6.730) 9.076 9.279 ( 15.347 7.006 -3.697) 17.271 9.328 ( -0.998 12.671 -0.581) 12.723 10.585 ( -3.599 -3.340 -4.417) 6.604 10.796 ( -1.063 -2.763 1.681) 3.404 11.513 ( -19.304 -5.324 1.249) 20.064 15.261 ( 6.595 -3.655 4.039) 8.554 ======================= Grid point 1260 (398/489) ======================= q-point: (-0.24 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.055 ( -0.207 -0.552 -8.633) 8.653 3.501 ( -5.886 7.497 -2.293) 9.803 3.672 ( -3.478 10.301 1.370) 10.958 4.682 ( 4.389 2.514 -6.517) 8.250 5.575 ( -0.159 -3.185 1.610) 3.572 6.347 ( -0.879 -3.306 7.116) 7.895 9.379 ( -4.856 8.478 -1.130) 9.836 9.575 ( 11.408 4.079 -7.956) 14.494 10.437 ( -7.974 -0.752 1.473) 8.144 10.775 ( 3.571 -4.615 1.586) 6.047 11.321 ( -4.775 5.605 0.969) 7.427 15.331 ( 4.986 -4.799 3.859) 7.923 ======================= Grid point 1270 (399/489) ======================= q-point: ( 0.35 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 0.000 20.660 8.579) 22.371 1.993 ( 0.000 18.523 20.561) 27.674 2.633 ( -0.000 29.044 7.143) 29.910 3.077 ( -0.000 4.098 -3.707) 5.525 3.504 ( -0.000 22.452 3.442) 22.715 5.872 ( -0.000 -9.081 -6.393) 11.106 7.734 ( -0.000 10.609 1.238) 10.681 9.488 ( -0.000 19.556 -1.921) 19.650 10.607 ( -0.000 0.870 -22.633) 22.650 11.045 ( 0.000 -5.598 -0.753) 5.648 14.303 ( 0.000 -16.781 10.590) 19.843 15.043 ( -0.000 6.241 -11.681) 13.244 ======================= Grid point 1271 (400/489) ======================= q-point: ( 0.41 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 7.765 21.413 6.595) 23.713 2.214 ( 1.027 10.057 19.749) 22.186 3.065 ( 11.502 34.015 -3.144) 36.045 3.133 ( 2.317 5.508 -3.489) 6.920 3.842 ( 9.599 23.445 6.264) 26.097 5.755 ( -2.086 -5.583 -6.360) 8.716 7.911 ( 6.009 13.324 1.220) 14.667 9.533 ( -3.696 -12.612 7.990) 15.381 10.598 ( 0.554 16.590 -26.333) 31.129 10.993 ( 0.381 -3.884 -2.710) 4.751 14.133 ( -2.766 -20.025 13.087) 24.082 15.048 ( -1.738 4.457 -13.543) 14.363 ======================= Grid point 1272 (401/489) ======================= q-point: ( 0.47 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 7.884 17.272 7.143) 20.286 2.387 ( 5.346 12.704 11.988) 18.267 3.236 ( 2.967 7.651 -3.074) 8.763 3.624 ( 17.627 27.813 -7.098) 33.684 4.301 ( 14.175 20.983 6.963) 26.262 5.663 ( -1.597 -2.387 -4.856) 5.642 8.203 ( 9.711 16.457 1.326) 19.155 9.243 ( -11.684 -15.391 4.895) 19.934 10.716 ( 4.463 5.626 -12.693) 14.584 10.966 ( 0.091 0.669 -8.618) 8.644 13.881 ( -6.727 -23.325 13.293) 27.676 14.987 ( -4.351 3.538 -12.776) 13.953 ======================= Grid point 1273 (402/489) ======================= q-point: ( 0.53 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 4.347 8.416 7.894) 12.330 2.795 ( 11.001 21.370 4.294) 24.416 3.361 ( 2.260 9.699 -2.682) 10.314 4.133 ( 16.553 17.480 -8.348) 25.480 4.758 ( 14.122 16.196 5.458) 22.171 5.640 ( 1.436 1.352 -1.525) 2.493 8.567 ( 10.680 19.105 1.637) 21.949 8.949 ( -8.708 -7.852 2.650) 12.021 10.768 ( 2.381 -0.053 -4.041) 4.691 10.924 ( -1.427 -1.936 -11.758) 12.002 13.499 ( -13.874 -25.292 9.084) 30.244 14.922 ( -2.129 2.536 -7.390) 8.098 ======================= Grid point 1274 (403/489) ======================= q-point: ( 0.59 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( 5.762 7.158 2.968) 9.656 3.189 ( 8.292 21.303 3.093) 23.068 3.486 ( 0.877 11.253 -2.077) 11.477 4.456 ( 9.302 7.576 -9.151) 15.089 5.127 ( 11.386 10.044 4.099) 15.726 5.747 ( 7.065 4.869 2.146) 8.844 8.812 ( -0.789 -0.291 2.715) 2.842 8.958 ( 8.277 20.251 1.205) 21.911 10.792 ( -2.907 -0.937 -2.758) 4.115 10.808 ( 0.891 -3.025 -9.805) 10.300 12.963 ( -21.411 -23.802 3.630) 32.220 14.928 ( 3.030 -0.523 -1.169) 3.290 ======================= Grid point 1275 (404/489) ======================= q-point: ( 0.65 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 5.270 4.944 -1.551) 7.391 3.514 ( 3.524 20.934 1.008) 21.252 3.601 ( -0.512 12.412 -0.340) 12.428 4.572 ( 2.912 2.389 -8.273) 9.090 5.374 ( 7.548 4.346 3.160) 9.265 5.965 ( 10.545 4.135 4.135) 12.058 8.886 ( 6.335 4.153 1.788) 7.783 9.287 ( 4.427 20.868 1.362) 21.376 10.638 ( -2.766 -7.770 -7.575) 11.198 10.851 ( 0.197 5.045 -1.717) 5.333 12.346 ( -24.740 -18.751 0.490) 31.047 14.995 ( 6.914 -4.379 2.297) 8.500 ======================= Grid point 1276 (405/489) ======================= q-point: ( 0.71 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.995 ( 3.305 2.642 -5.145) 6.662 3.669 ( -3.574 14.092 -2.968) 14.838 3.770 ( -0.885 19.056 3.302) 19.360 4.596 ( 1.317 1.384 -6.413) 6.691 5.499 ( 4.038 -0.454 1.809) 4.448 6.180 ( 9.235 0.234 5.305) 10.653 9.104 ( 11.569 6.464 -0.330) 13.256 9.518 ( -1.358 18.847 0.877) 18.916 10.531 ( 1.309 -5.721 -4.638) 7.480 10.861 ( -4.937 2.758 0.045) 5.656 11.797 ( -20.636 -9.053 -0.695) 22.545 15.080 ( 8.470 -7.504 3.326) 11.794 ======================= Grid point 1277 (406/489) ======================= q-point: ( 0.76 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.028 ( 0.680 0.907 -6.761) 6.856 3.708 ( -6.524 12.979 -2.663) 14.769 3.910 ( -5.777 18.521 2.514) 19.563 4.625 ( 2.587 1.866 -5.677) 6.512 5.526 ( 1.648 -4.306 1.217) 4.768 6.301 ( 4.428 -3.949 5.945) 8.399 9.366 ( 11.104 4.120 -4.112) 12.538 9.620 ( -5.414 14.682 0.413) 15.654 10.555 ( 3.360 2.658 -1.112) 4.426 10.708 ( -9.300 -5.302 2.150) 10.919 11.503 ( -9.917 2.918 -1.331) 10.422 15.153 ( 8.339 -9.250 3.179) 12.854 ======================= Grid point 1288 (407/489) ======================= q-point: ( 0.41 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( -0.000 20.711 4.894) 21.281 2.362 ( 0.000 8.649 16.155) 18.325 3.145 ( -0.000 4.981 -3.706) 6.209 3.312 ( -0.000 35.490 -6.095) 36.010 4.046 ( -0.000 27.476 8.033) 28.626 5.702 ( -0.000 -4.241 -5.681) 7.089 8.002 ( -0.000 15.294 1.059) 15.331 9.454 ( 0.000 -15.790 7.520) 17.489 10.687 ( -0.000 15.633 -25.786) 30.154 10.919 ( 0.000 -6.285 -0.489) 6.304 13.982 ( 0.000 -23.466 14.181) 27.418 15.074 ( -0.000 5.615 -13.627) 14.738 ======================= Grid point 1289 (408/489) ======================= q-point: ( 0.47 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 8.213 19.848 3.827) 21.818 2.485 ( 0.391 7.901 10.980) 13.533 3.226 ( 4.263 5.908 -3.434) 8.055 3.686 ( 6.832 29.780 -7.027) 31.351 4.399 ( 5.340 26.968 7.519) 28.501 5.648 ( -0.748 -1.422 -4.153) 4.453 8.228 ( 6.837 17.277 0.970) 18.606 9.258 ( -6.110 -14.890 3.383) 16.447 10.714 ( -1.424 5.841 -12.584) 13.947 10.901 ( 3.194 -2.731 -5.963) 7.295 13.754 ( -2.786 -26.626 13.942) 30.185 15.061 ( -3.240 5.514 -12.992) 14.480 ======================= Grid point 1290 (409/489) ======================= q-point: ( 0.53 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 1.844 7.517 6.296) 9.978 2.810 ( 12.439 19.692 3.565) 23.563 3.375 ( 5.681 8.012 -3.180) 10.324 4.065 ( 9.957 19.848 -5.967) 22.993 4.780 ( 7.173 22.264 4.535) 23.826 5.638 ( 0.425 2.458 -1.529) 2.925 8.576 ( 11.193 19.466 1.217) 22.488 9.017 ( -7.617 -8.424 0.483) 11.368 10.716 ( 1.483 0.794 -4.940) 5.218 10.882 ( 0.146 -3.880 -7.387) 8.345 13.435 ( -6.886 -28.794 11.125) 31.627 14.997 ( -5.184 4.440 -9.939) 12.057 ======================= Grid point 1291 (410/489) ======================= q-point: ( 0.59 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( 3.562 6.629 3.074) 8.129 3.236 ( 12.123 19.978 3.242) 23.592 3.549 ( 4.500 10.726 -2.913) 11.991 4.361 ( 8.573 9.796 -5.242) 14.033 5.096 ( 6.775 14.514 2.044) 16.147 5.714 ( 3.472 6.120 1.167) 7.132 8.850 ( -3.027 -0.478 0.997) 3.223 9.004 ( 10.970 20.461 0.801) 23.230 10.726 ( 0.405 -4.424 -7.517) 8.732 10.811 ( -0.214 -0.232 -1.781) 1.808 13.011 ( -12.397 -28.005 6.384) 31.285 14.924 ( -3.454 1.400 -4.988) 6.227 ======================= Grid point 1292 (411/489) ======================= q-point: ( 0.65 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( 3.892 4.972 0.167) 6.317 3.634 ( 9.018 20.598 3.228) 22.716 3.717 ( 1.929 13.251 -2.577) 13.636 4.518 ( 4.205 3.619 -5.327) 7.691 5.318 ( 5.771 6.992 1.890) 9.261 5.868 ( 6.407 5.290 2.297) 8.620 8.859 ( 2.321 4.148 1.188) 4.900 9.400 ( 8.462 21.588 1.605) 23.243 10.585 ( -3.442 -8.815 -6.429) 11.440 10.883 ( 2.700 6.514 -1.021) 7.125 12.507 ( -17.079 -23.198 2.006) 28.876 14.882 ( 0.827 -3.398 -0.615) 3.551 ======================= Grid point 1293 (412/489) ======================= q-point: ( 0.71 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( 2.880 3.197 -2.453) 4.953 3.857 ( -1.330 14.925 -2.306) 15.161 3.969 ( 3.919 21.410 3.464) 22.040 4.570 ( 1.425 1.713 -5.137) 5.600 5.441 ( 3.118 0.909 1.251) 3.480 6.035 ( 8.249 0.152 3.336) 8.899 9.010 ( 7.468 7.389 0.999) 10.553 9.709 ( 2.585 18.824 1.575) 19.066 10.438 ( -0.763 -8.047 -3.971) 9.006 10.980 ( -1.325 8.681 -0.561) 8.799 12.012 ( -17.240 -14.183 -0.956) 22.345 14.879 ( 5.209 -8.181 1.730) 9.852 ======================= Grid point 1294 (413/489) ======================= q-point: ( 0.76 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.009 ( 1.138 1.956 -4.152) 4.729 3.948 ( -5.025 15.428 -2.285) 16.385 4.209 ( -2.695 21.878 3.816) 22.371 4.591 ( 1.434 1.691 -5.111) 5.571 5.457 ( 0.936 -4.320 0.260) 4.428 6.162 ( 7.577 -5.300 4.443) 10.259 9.238 ( 9.056 7.243 -0.805) 11.624 9.846 ( -4.581 11.174 0.709) 12.097 10.417 ( 6.830 -4.394 -0.711) 8.152 10.957 ( -11.755 8.512 1.286) 14.571 11.680 ( -10.248 -1.937 -3.079) 10.874 14.906 ( 8.222 -11.314 2.268) 14.169 ======================= Grid point 1306 (414/489) ======================= q-point: ( 0.47 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( -0.000 18.784 2.773) 18.987 2.583 ( 0.000 6.649 6.838) 9.538 3.225 ( -0.000 5.223 -3.416) 6.241 3.894 ( -0.000 25.773 -5.867) 26.433 4.661 ( -0.000 28.146 6.213) 28.823 5.641 ( -0.000 1.320 -2.661) 2.971 8.340 ( -0.000 17.491 0.454) 17.496 9.181 ( 0.000 -11.905 -0.102) 11.905 10.754 ( -0.000 3.150 -12.710) 13.095 10.803 ( 0.000 -4.782 0.003) 4.782 13.541 ( 0.000 -29.431 13.347) 32.316 15.112 ( -0.000 6.538 -12.250) 13.886 ======================= Grid point 1307 (415/489) ======================= q-point: ( 0.53 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( 0.484 6.260 3.558) 7.217 2.808 ( 9.199 17.341 2.492) 19.787 3.322 ( 5.940 5.805 -3.228) 8.910 4.132 ( 3.375 18.243 -3.694) 18.916 4.958 ( 1.587 24.027 2.909) 24.255 5.669 ( 0.099 5.731 -0.548) 5.758 8.590 ( 8.258 17.902 0.267) 19.717 9.040 ( -4.126 -6.635 -3.043) 8.384 10.705 ( -1.174 -0.660 -3.457) 3.710 10.798 ( 2.172 -4.212 -3.327) 5.790 13.251 ( -2.854 -31.457 11.140) 33.493 15.105 ( -4.156 6.195 -10.367) 12.772 ======================= Grid point 1308 (416/489) ======================= q-point: ( 0.59 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( 2.078 5.578 2.052) 6.296 3.192 ( 14.131 16.312 2.688) 21.748 3.512 ( 8.912 7.844 -3.425) 12.356 4.336 ( 4.528 10.100 -1.692) 11.197 5.190 ( 1.347 16.198 0.014) 16.254 5.760 ( 0.921 9.969 1.072) 10.069 8.901 ( -1.492 2.250 -1.900) 3.301 8.987 ( 11.350 15.968 -1.123) 19.623 10.667 ( -0.841 -4.843 -2.830) 5.672 10.785 ( 1.879 -0.392 -0.763) 2.066 12.890 ( -5.900 -31.343 7.799) 32.833 15.030 ( -6.965 4.226 -7.301) 10.940 ======================= Grid point 1309 (417/489) ======================= q-point: ( 0.65 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( 2.886 4.497 1.069) 5.449 3.611 ( 14.515 14.415 3.806) 20.808 3.753 ( 8.525 12.509 -4.344) 15.749 4.474 ( 3.743 4.101 -0.940) 5.631 5.337 ( 1.616 8.693 0.007) 8.842 5.882 ( 0.946 9.286 0.836) 9.371 8.887 ( -0.149 4.896 -1.535) 5.133 9.414 ( 13.783 18.696 0.249) 23.229 10.547 ( -3.722 -7.933 -2.671) 9.161 10.873 ( 4.967 5.208 -0.036) 7.197 12.483 ( -8.817 -27.658 4.267) 29.341 14.914 ( -6.759 0.462 -3.757) 7.747 ======================= Grid point 1310 (418/489) ======================= q-point: ( 0.71 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( 2.464 3.254 -0.127) 4.084 3.942 ( 7.561 10.817 1.024) 13.237 4.061 ( 9.529 19.645 -0.858) 21.851 4.547 ( 2.018 1.717 -1.492) 3.041 5.422 ( 1.426 2.534 0.688) 2.988 5.967 ( 1.254 3.338 0.631) 3.621 8.991 ( 4.399 8.546 -0.087) 9.612 9.790 ( 8.732 15.655 0.653) 17.938 10.389 ( -4.082 -7.808 -1.904) 9.014 11.040 ( 5.325 9.145 -0.372) 10.589 12.084 ( -10.292 -19.483 1.214) 22.068 14.795 ( -3.478 -4.513 -0.780) 5.751 ======================= Grid point 1311 (419/489) ======================= q-point: ( 0.76 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.000 ( 1.359 2.401 -1.376) 3.083 4.136 ( 0.978 13.774 -1.108) 13.853 4.404 ( 6.374 19.324 3.041) 20.574 4.578 ( 0.562 1.892 -3.016) 3.604 5.429 ( -1.244 -2.079 -0.456) 2.466 6.005 ( 3.913 -4.931 1.976) 6.598 9.186 ( 6.822 9.617 0.180) 11.792 9.995 ( -0.611 8.642 0.203) 8.666 10.274 ( 1.666 -7.239 -0.330) 7.436 11.195 ( -1.121 12.194 1.036) 12.289 11.784 ( -7.776 -7.329 -2.035) 10.878 14.710 ( 1.655 -9.064 0.889) 9.257 ======================= Grid point 1324 (420/489) ======================= q-point: ( 0.53 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( -0.000 5.205 1.590) 5.442 2.892 ( -0.000 15.555 1.801) 15.659 3.308 ( -0.000 5.023 -2.841) 5.771 4.259 ( -0.000 13.436 -1.403) 13.509 5.178 ( -0.000 19.869 0.303) 19.871 5.750 ( -0.000 10.803 0.705) 10.826 8.682 ( -0.000 16.114 -0.275) 16.117 9.010 ( -0.000 -2.980 -6.030) 6.726 10.688 ( -0.000 -4.022 -1.647) 4.346 10.741 ( 0.000 -1.412 0.486) 1.494 12.984 ( 0.000 -33.277 9.333) 34.561 15.178 ( -0.000 6.817 -9.373) 11.590 ======================= Grid point 1325 (421/489) ======================= q-point: ( 0.59 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 0.861 4.679 1.341) 4.943 3.132 ( 9.717 13.504 1.968) 16.752 3.416 ( 7.371 5.527 -2.871) 9.650 4.379 ( 1.426 8.078 0.651) 8.229 5.336 ( -0.626 13.277 -1.548) 13.382 5.882 ( -0.225 14.425 0.839) 14.451 8.915 ( 7.395 12.723 -0.916) 14.744 8.968 ( 0.463 4.041 -5.965) 7.219 10.634 ( -1.198 -5.252 1.632) 5.629 10.753 ( 1.694 0.835 0.477) 1.948 12.656 ( -2.055 -33.325 6.728) 34.060 15.171 ( -5.249 6.010 -7.564) 10.995 ======================= Grid point 1326 (422/489) ======================= q-point: ( 0.65 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.859 ( 1.964 4.025 1.969) 4.893 3.482 ( 14.901 10.439 3.035) 18.445 3.649 ( 12.806 8.528 -3.927) 15.879 4.470 ( 1.748 3.961 2.006) 4.772 5.419 ( -1.204 7.871 -1.375) 8.081 6.009 ( -1.784 13.094 -0.503) 13.224 8.946 ( -1.187 6.380 -4.178) 7.718 9.309 ( 16.343 14.293 -0.940) 21.731 10.542 ( -3.662 -5.674 1.816) 6.993 10.828 ( 4.563 3.058 0.829) 5.555 12.306 ( -3.152 -30.260 4.359) 30.734 15.071 ( -9.394 3.867 -5.299) 11.458 ======================= Grid point 1327 (423/489) ======================= q-point: ( 0.71 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( 2.048 3.127 2.083) 4.279 3.833 ( 14.407 6.778 2.661) 16.143 4.004 ( 15.893 13.852 -3.792) 21.421 4.533 ( 1.464 1.696 2.547) 3.393 5.448 ( -1.298 2.766 -0.203) 3.062 6.060 ( -4.427 8.089 -1.845) 9.404 9.023 ( 1.987 9.658 -1.731) 10.011 9.720 ( 14.796 11.586 -0.815) 18.810 10.414 ( -5.722 -4.158 1.025) 7.147 10.976 ( 8.555 3.698 0.202) 9.322 11.993 ( -3.231 -22.576 2.904) 22.990 14.902 ( -10.823 0.612 -2.931) 11.229 ======================= Grid point 1342 (424/489) ======================= q-point: ( 0.59 0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( 0.000 4.097 2.040) 4.577 3.171 ( -0.000 11.127 1.709) 11.257 3.389 ( -0.000 4.764 -2.269) 5.277 4.439 ( 0.000 5.209 2.372) 5.724 5.450 ( -0.000 9.473 -2.291) 9.746 6.041 ( -0.000 15.695 -0.315) 15.698 8.962 ( -0.000 11.931 -0.416) 11.938 8.990 ( -0.000 5.178 -6.868) 8.601 10.609 ( 0.000 -4.466 4.911) 6.638 10.752 ( -0.000 1.986 0.407) 2.027 12.353 ( 0.000 -33.531 4.368) 33.814 15.259 ( -0.000 6.207 -6.736) 9.159 ======================= Grid point 1343 (425/489) ======================= q-point: ( 0.65 0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 0.874 3.692 3.655) 5.268 3.362 ( 9.581 7.919 2.393) 12.659 3.510 ( 8.989 5.779 -2.722) 11.027 4.495 ( 0.641 3.063 3.547) 4.730 5.510 ( -1.399 6.292 -2.101) 6.779 6.172 ( -1.615 13.265 -2.031) 13.516 9.028 ( -1.115 8.902 -4.391) 9.989 9.174 ( 11.570 10.047 -0.630) 15.336 10.564 ( -2.483 -3.503 5.131) 6.691 10.796 ( 2.169 2.292 0.427) 3.184 12.036 ( -0.104 -30.666 2.290) 30.752 15.243 ( -6.260 5.152 -5.445) 9.766 ======================= Grid point 1344 (426/489) ======================= q-point: (-0.29 -0.41 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( 1.340 2.936 4.588) 5.609 3.641 ( 14.138 4.252 2.769) 15.021 3.801 ( 17.231 8.223 -3.266) 19.370 4.545 ( 0.730 2.047 4.259) 4.781 5.514 ( -2.887 2.868 -1.253) 4.258 6.223 ( -4.565 8.858 -3.601) 10.596 9.108 ( -0.264 11.508 -1.321) 11.586 9.527 ( 17.425 7.967 -0.923) 19.182 10.493 ( -4.613 -0.598 3.292) 5.699 10.860 ( 4.763 -1.928 0.109) 5.139 11.784 ( 1.761 -22.285 1.830) 22.430 15.115 ( -11.415 3.374 -3.912) 12.529 ======================= Grid point 1360 (427/489) ======================= q-point: (-0.35 -0.35 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.924 ( 0.000 3.306 5.906) 6.769 3.349 ( 0.000 5.236 2.251) 5.699 3.473 ( -0.000 5.033 -2.047) 5.433 4.530 ( 0.000 2.429 4.523) 5.134 5.570 ( -0.000 4.477 -2.224) 4.999 6.298 ( -0.000 10.427 -3.637) 11.043 9.133 ( -0.000 11.936 -1.970) 12.098 9.151 ( -0.000 7.240 0.305) 7.246 10.572 ( 0.000 -3.261 5.868) 6.714 10.806 ( -0.000 2.807 -0.417) 2.838 11.738 ( 0.000 -28.162 -0.140) 28.162 15.333 ( -0.000 4.762 -4.988) 6.896 ======================= Grid point 1361 (428/489) ======================= q-point: (-0.29 -0.35 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( 0.408 2.477 7.253) 7.675 3.476 ( 9.004 2.367 2.524) 9.646 3.608 ( 10.547 5.162 -2.128) 11.934 4.573 ( 0.347 2.541 5.157) 5.760 5.580 ( -2.081 2.188 -1.799) 3.515 6.348 ( -2.456 6.191 -5.072) 8.371 9.252 ( -1.333 14.042 1.739) 14.211 9.324 ( 11.989 5.228 0.306) 13.083 10.545 ( -0.798 -2.593 3.991) 4.826 10.809 ( -1.624 -1.464 -1.241) 2.514 11.522 ( 4.015 -19.169 -0.655) 19.596 15.301 ( -6.785 3.633 -4.221) 8.778 ======================= Grid point 1378 (429/489) ======================= q-point: (-0.29 -0.29 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.024 ( 0.000 1.467 9.055) 9.173 3.415 ( 0.000 0.329 2.109) 2.135 3.553 ( -0.000 3.614 -1.353) 3.859 4.618 ( 0.000 3.647 5.904) 6.939 5.608 ( -0.000 0.591 -1.801) 1.896 6.392 ( -0.000 1.969 -6.320) 6.620 9.259 ( 0.000 3.090 1.183) 3.308 9.430 ( 0.000 15.638 6.029) 16.760 10.498 ( 0.000 -7.979 1.244) 8.076 10.838 ( -0.000 0.630 -1.311) 1.455 11.311 ( 0.000 -11.237 -2.205) 11.451 15.380 ( -0.000 2.762 -4.203) 5.029 ======================= Grid point 1541 (430/489) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 0.000 -0.000 16.668) 16.668 1.055 ( 0.000 -0.000 16.668) 16.668 2.183 ( 0.000 -0.000 36.961) 36.961 2.991 ( -0.000 0.000 -3.505) 3.505 2.991 ( -0.000 0.000 -3.505) 3.505 6.592 ( -0.000 0.000 -15.465) 15.465 7.530 ( 0.000 -0.000 1.073) 1.073 7.530 ( 0.000 -0.000 1.073) 1.073 11.170 ( -0.000 0.000 -0.812) 0.812 11.170 ( -0.000 0.000 -0.812) 0.812 14.615 ( 0.000 -0.000 3.344) 3.344 14.829 ( -0.000 0.000 -1.921) 1.921 ======================= Grid point 1542 (431/489) ======================= q-point: ( 0.35 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 11.328 6.540 14.063) 19.206 1.493 ( 25.679 14.826 13.752) 32.685 2.320 ( 3.681 2.125 27.103) 27.434 2.992 ( 1.428 0.825 -3.317) 3.704 3.158 ( 14.253 8.229 -0.815) 16.479 6.143 ( -17.040 -9.838 -6.713) 20.790 7.597 ( 5.020 2.898 0.873) 5.862 8.515 ( 58.712 33.897 -16.188) 69.701 10.874 ( -22.517 -13.000 -1.755) 26.060 11.134 ( -2.777 -1.604 -0.773) 3.299 14.562 ( -5.250 -3.031 5.465) 8.162 14.911 ( 5.822 3.361 -6.468) 9.329 ======================= Grid point 1543 (432/489) ======================= q-point: ( 0.41 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 17.472 10.087 9.923) 22.483 2.032 ( 11.658 6.731 22.294) 26.043 2.657 ( 24.477 14.132 2.886) 28.410 3.033 ( 3.012 1.739 -3.011) 4.600 3.593 ( 21.880 12.632 3.414) 25.494 5.850 ( -7.982 -4.608 -6.712) 11.402 7.764 ( 9.225 5.326 0.656) 10.672 9.569 ( 24.939 14.399 -3.969) 29.069 10.364 ( -8.887 -5.131 -15.923) 18.944 11.044 ( -4.653 -2.686 -0.734) 5.422 14.423 ( -8.910 -5.144 9.841) 14.237 14.963 ( 0.537 0.310 -12.064) 12.080 ======================= Grid point 1544 (433/489) ======================= q-point: ( 0.47 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 18.738 10.818 6.712) 22.654 2.255 ( 5.262 3.038 18.611) 19.578 3.107 ( 4.057 2.342 -2.652) 5.383 3.348 ( 32.123 18.546 -6.049) 37.582 4.137 ( 23.288 13.445 5.461) 27.440 5.696 ( -3.933 -2.271 -5.766) 7.339 8.021 ( 12.684 7.323 0.523) 14.656 9.412 ( -20.947 -12.094 7.421) 25.300 10.637 ( 21.159 12.216 -22.806) 33.422 10.926 ( -5.082 -2.934 -0.697) 5.910 14.193 ( -14.986 -8.652 11.453) 20.751 14.891 ( -1.778 -1.026 -12.118) 12.290 ======================= Grid point 1545 (434/489) ======================= q-point: ( 0.53 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 7.661 4.423 11.052) 14.156 2.496 ( 17.388 10.039 4.431) 20.561 3.199 ( 4.446 2.567 -2.286) 5.620 4.002 ( 25.396 14.662 -8.961) 30.663 4.665 ( 20.371 11.761 5.916) 24.255 5.640 ( 0.782 0.452 -2.619) 2.770 8.340 ( 14.501 8.372 0.461) 16.750 9.016 ( -13.606 -7.855 5.029) 16.496 10.818 ( -3.854 -2.225 -0.617) 4.493 10.895 ( 6.740 3.892 -16.962) 18.662 13.764 ( -24.682 -14.250 5.737) 29.071 14.874 ( 3.011 1.739 -4.099) 5.375 ======================= Grid point 1546 (435/489) ======================= q-point: ( 0.59 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( 8.781 5.070 4.294) 11.011 2.877 ( 14.564 8.409 2.759) 17.042 3.293 ( 4.197 2.423 -1.885) 5.200 4.415 ( 12.847 7.417 -10.919) 18.420 5.093 ( 14.867 8.584 5.746) 18.104 5.741 ( 8.291 4.787 1.575) 9.702 8.672 ( 13.797 7.966 0.318) 15.935 8.840 ( -2.900 -1.674 4.001) 5.217 10.755 ( -1.330 -0.768 -0.379) 1.582 10.885 ( -2.156 -1.245 -13.548) 13.775 13.124 ( -30.762 -17.760 0.953) 35.533 14.986 ( 6.202 3.580 2.356) 7.539 ======================= Grid point 1547 (436/489) ======================= q-point: ( 0.65 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( 7.356 4.247 -1.786) 8.680 3.178 ( 10.817 6.245 1.219) 12.549 3.377 ( 3.522 2.034 -1.174) 4.233 4.558 ( 3.769 2.176 -9.645) 10.581 5.383 ( 9.012 5.203 4.482) 11.331 5.998 ( 11.762 6.791 4.241) 14.228 8.897 ( 6.463 3.731 2.550) 7.887 8.958 ( 10.681 6.167 -0.077) 12.334 10.755 ( 1.265 0.730 0.119) 1.465 10.761 ( -4.501 -2.599 -10.493) 11.709 12.399 ( -31.315 -18.080 -0.054) 36.159 15.145 ( 6.214 3.588 4.641) 8.546 ======================= Grid point 1548 (437/489) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( 4.404 2.542 -6.658) 8.377 3.368 ( 5.138 2.967 -1.555) 6.134 3.457 ( 3.964 2.289 1.085) 4.704 4.585 ( 1.736 1.002 -6.956) 7.239 5.546 ( 4.355 2.514 2.721) 5.717 6.254 ( 8.324 4.806 5.586) 11.117 9.127 ( 12.515 7.225 -0.590) 14.463 9.156 ( 6.567 3.791 -0.671) 7.612 10.633 ( -4.196 -2.423 -6.876) 8.412 10.800 ( 2.117 1.222 0.780) 2.566 11.731 ( -25.481 -14.711 1.294) 29.451 15.286 ( 4.517 2.608 4.744) 7.050 ======================= Grid point 1559 (438/489) ======================= q-point: ( 0.35 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 0.000 14.463 11.398) 18.415 1.495 ( 0.000 30.039 13.260) 32.836 2.411 ( 0.000 2.702 25.098) 25.243 2.999 ( -0.000 2.494 -3.545) 4.334 3.127 ( -0.000 14.966 0.167) 14.967 6.122 ( 0.000 -19.271 -7.202) 20.572 7.581 ( -0.000 5.032 1.174) 5.167 8.473 ( -0.000 64.984 -13.380) 66.347 10.896 ( 0.000 -22.521 -2.789) 22.693 11.133 ( 0.000 -3.205 -0.745) 3.290 14.568 ( 0.000 -7.250 5.654) 9.193 14.890 ( -0.000 5.883 -5.897) 8.330 ======================= Grid point 1560 (439/489) ======================= q-point: ( 0.41 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 7.294 18.340 9.017) 21.700 1.991 ( 13.090 21.542 16.811) 30.299 2.559 ( 6.420 12.355 8.290) 16.205 3.025 ( 0.977 4.085 -3.093) 5.216 3.436 ( 13.670 18.336 3.632) 23.157 5.884 ( -5.601 -9.588 -6.613) 12.924 7.703 ( 5.689 7.779 0.932) 9.682 9.298 ( 25.784 40.961 -8.972) 49.225 10.489 ( -15.785 -17.779 -9.117) 25.464 11.073 ( -2.279 -3.863 -0.825) 4.561 14.473 ( -3.163 -10.374 8.872) 14.012 14.933 ( 0.730 3.302 -10.158) 10.706 ======================= Grid point 1561 (440/489) ======================= q-point: ( 0.47 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 12.233 19.066 6.575) 23.588 2.295 ( 2.619 5.533 19.576) 20.510 3.049 ( 23.493 24.917 -6.053) 34.777 3.094 ( 2.731 6.396 -2.319) 7.331 3.930 ( 19.519 18.019 5.127) 27.055 5.714 ( -3.830 -4.355 -5.866) 8.249 7.929 ( 9.135 11.068 0.697) 14.368 9.601 ( -12.153 -14.906 9.479) 21.442 10.379 ( 14.834 18.774 -23.374) 33.449 10.980 ( -3.913 -2.845 -1.260) 4.999 14.301 ( -7.120 -14.211 11.345) 19.528 14.895 ( -2.733 1.339 -12.466) 12.832 ======================= Grid point 1562 (441/489) ======================= q-point: ( 0.53 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 11.902 16.488 5.267) 21.006 2.448 ( 4.617 7.505 11.837) 14.757 3.185 ( 2.297 6.820 -2.008) 7.471 3.710 ( 24.865 21.171 -7.527) 33.513 4.461 ( 19.922 15.338 4.971) 25.629 5.629 ( -0.782 -0.956 -3.609) 3.814 8.235 ( 11.198 13.967 0.665) 17.914 9.184 ( -15.408 -13.618 5.570) 21.305 10.714 ( 10.679 5.690 -13.216) 17.919 10.889 ( -3.602 0.285 -3.579) 5.086 13.972 ( -16.029 -18.923 7.040) 25.779 14.848 ( 0.086 2.353 -6.620) 7.027 ======================= Grid point 1563 (442/489) ======================= q-point: ( 0.59 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 6.109 6.006 6.239) 10.598 2.803 ( 10.900 17.639 2.994) 20.950 3.289 ( 1.885 7.623 -1.396) 7.976 4.222 ( 16.664 12.573 -8.906) 22.695 4.930 ( 16.740 11.129 4.716) 20.647 5.667 ( 5.121 3.225 -0.262) 6.058 8.582 ( 11.000 15.610 0.745) 19.111 8.905 ( -6.961 -5.961 4.612) 10.259 10.773 ( -0.385 -0.604 -1.980) 2.105 10.845 ( -0.576 -0.870 -11.141) 11.190 13.422 ( -25.046 -20.957 0.961) 32.671 14.912 ( 5.349 1.943 1.028) 5.784 ======================= Grid point 1564 (443/489) ======================= q-point: ( 0.65 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 6.215 5.118 0.752) 8.086 3.141 ( 7.565 16.227 1.263) 17.949 3.390 ( 0.976 8.188 -0.541) 8.263 4.473 ( 6.580 4.871 -8.818) 12.032 5.278 ( 11.404 6.454 4.405) 13.824 5.868 ( 11.369 6.178 2.352) 13.151 8.850 ( 2.756 0.829 4.047) 4.966 8.916 ( 7.680 15.445 0.719) 17.264 10.737 ( -2.708 -3.813 -5.772) 7.429 10.776 ( -0.291 1.156 -4.700) 4.849 12.737 ( -29.232 -19.969 -1.362) 35.428 15.051 ( 7.831 -0.017 4.443) 9.004 ======================= Grid point 1565 (444/489) ======================= q-point: ( 0.71 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( 4.437 3.342 -4.125) 6.918 3.381 ( 2.522 13.198 -1.415) 13.511 3.488 ( 0.412 9.710 1.518) 9.836 4.544 ( 2.095 1.783 -6.684) 7.228 5.485 ( 6.449 2.463 2.989) 7.523 6.143 ( 11.470 4.736 4.024) 13.046 8.996 ( 9.493 4.586 2.325) 10.796 9.170 ( 3.326 14.857 0.268) 15.227 10.622 ( -1.739 -4.935 -6.865) 8.631 10.800 ( 0.220 3.072 -0.474) 3.116 12.051 ( -27.735 -15.788 -0.741) 31.922 15.193 ( 7.851 -2.239 4.905) 9.524 ======================= Grid point 1577 (445/489) ======================= q-point: ( 0.41 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -0.000 19.283 6.209) 20.258 2.177 ( 0.000 22.079 18.008) 28.492 2.672 ( -0.000 19.360 0.885) 19.380 3.042 ( -0.000 4.035 -3.436) 5.300 3.550 ( -0.000 24.156 5.905) 24.867 5.811 ( -0.000 -9.020 -6.246) 10.972 7.745 ( -0.000 10.595 1.208) 10.663 9.476 ( -0.000 32.813 -0.578) 32.818 10.419 ( -0.000 -12.447 -16.873) 20.967 11.039 ( 0.000 -5.557 -0.585) 5.588 14.404 ( 0.000 -14.419 10.525) 17.852 14.936 ( -0.000 4.160 -10.825) 11.597 ======================= Grid point 1578 (446/489) ======================= q-point: ( 0.47 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 7.911 20.373 4.592) 22.332 2.391 ( 0.481 6.952 17.117) 18.481 3.017 ( 10.722 32.117 -6.718) 34.519 3.103 ( 2.741 5.497 -2.837) 6.766 3.905 ( 9.282 24.565 6.560) 27.067 5.699 ( -1.975 -5.149 -5.355) 7.687 7.922 ( 5.965 13.360 1.006) 14.666 9.619 ( -4.165 -13.624 10.121) 17.475 10.358 ( 2.948 19.412 -23.597) 30.697 10.977 ( -0.573 -4.967 -1.111) 5.122 14.254 ( -2.739 -18.631 12.219) 22.448 14.924 ( -1.982 3.693 -12.432) 13.119 ======================= Grid point 1579 (447/489) ======================= q-point: ( 0.53 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 10.622 20.013 3.645) 22.948 2.501 ( 1.741 6.269 10.408) 12.274 3.210 ( 3.276 7.479 -2.379) 8.505 3.560 ( 17.241 27.578 -6.024) 33.077 4.359 ( 13.595 21.212 5.094) 25.705 5.622 ( -1.033 -1.478 -3.551) 3.982 8.214 ( 9.742 16.634 0.864) 19.297 9.288 ( -12.280 -17.524 4.237) 21.814 10.593 ( 7.403 11.113 -11.762) 17.794 10.917 ( -1.414 -2.364 -2.794) 3.923 13.993 ( -8.157 -23.088 9.893) 26.409 14.878 ( -2.717 3.944 -9.761) 10.873 ======================= Grid point 1580 (448/489) ======================= q-point: ( 0.59 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( 3.444 6.423 5.527) 9.147 2.829 ( 10.740 20.981 2.705) 23.724 3.341 ( 2.606 9.427 -1.409) 9.882 4.064 ( 15.569 17.802 -5.916) 24.378 4.800 ( 13.998 15.633 3.336) 21.247 5.628 ( 2.470 2.551 -0.998) 3.688 8.580 ( 10.783 19.503 0.987) 22.307 8.976 ( -8.335 -9.255 2.883) 12.784 10.716 ( 3.814 1.467 -6.124) 7.363 10.851 ( -2.840 -2.150 -3.943) 5.313 13.561 ( -16.450 -24.892 3.769) 30.074 14.872 ( 0.921 2.432 -2.870) 3.873 ======================= Grid point 1581 (449/489) ======================= q-point: ( 0.65 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 4.430 5.743 1.764) 7.465 3.210 ( 7.803 21.266 1.178) 22.683 3.475 ( 1.320 11.079 -0.080) 11.157 4.382 ( 8.349 8.293 -6.275) 13.336 5.161 ( 11.778 9.308 3.020) 15.313 5.761 ( 7.997 5.659 0.969) 9.845 8.842 ( -0.553 -1.311 3.414) 3.699 8.969 ( 8.405 20.620 1.080) 22.293 10.712 ( -2.091 -5.333 -7.466) 9.410 10.788 ( -0.047 2.378 -0.687) 2.476 12.976 ( -23.055 -23.133 -0.762) 32.669 14.933 ( 5.186 -1.290 2.275) 5.808 ======================= Grid point 1582 (450/489) ======================= q-point: ( 0.71 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( 3.648 4.182 -1.820) 5.840 3.507 ( 2.012 19.268 -2.107) 19.487 3.615 ( 0.751 14.155 2.992) 14.487 4.506 ( 2.826 3.135 -5.448) 6.892 5.401 ( 7.450 3.576 2.430) 8.614 5.995 ( 11.437 4.538 2.322) 12.522 8.910 ( 5.987 3.232 3.268) 7.548 9.299 ( 4.180 21.197 1.205) 21.638 10.576 ( -2.464 -6.948 -5.175) 9.008 10.838 ( 0.358 5.385 -1.182) 5.525 12.338 ( -25.011 -18.414 -2.179) 31.135 15.026 ( 7.785 -5.223 4.104) 10.234 ======================= Grid point 1595 (451/489) ======================= q-point: ( 0.47 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -0.000 20.085 2.833) 20.284 2.496 ( 0.000 4.789 11.516) 12.472 3.112 ( -0.000 4.934 -3.067) 5.810 3.251 ( -0.000 35.190 -6.096) 35.714 4.120 ( -0.000 27.826 7.141) 28.727 5.654 ( -0.000 -3.546 -4.331) 5.597 8.012 ( -0.000 15.124 0.905) 15.151 9.523 ( 0.000 -19.784 6.516) 20.829 10.472 ( -0.000 20.500 -18.901) 27.884 10.916 ( 0.000 -6.165 -0.249) 6.170 14.112 ( 0.000 -22.716 13.016) 26.181 14.949 ( -0.000 5.294 -12.568) 13.638 ======================= Grid point 1596 (452/489) ======================= q-point: ( 0.53 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 8.419 19.522 1.954) 21.350 2.568 ( 0.315 5.020 5.975) 7.810 3.196 ( 4.383 5.810 -2.716) 7.768 3.631 ( 6.819 30.207 -3.984) 31.222 4.460 ( 4.762 26.276 5.257) 27.217 5.615 ( -0.502 -0.391 -2.778) 2.850 8.236 ( 6.941 17.113 0.627) 18.478 9.280 ( -6.291 -17.745 0.896) 18.848 10.605 ( 1.160 11.156 -8.668) 14.175 10.872 ( 1.325 -4.512 -1.364) 4.896 13.876 ( -3.483 -26.749 11.585) 29.357 14.944 ( -2.607 5.963 -11.206) 12.958 ======================= Grid point 1597 (453/489) ======================= q-point: ( 0.59 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( 1.929 5.981 2.673) 6.829 2.837 ( 12.536 19.438 1.893) 23.208 3.349 ( 5.941 7.687 -2.177) 9.956 4.025 ( 9.473 20.715 -2.222) 22.886 4.812 ( 6.650 20.938 2.162) 22.075 5.626 ( 0.961 3.674 -0.844) 3.890 8.585 ( 11.484 19.435 0.489) 22.580 9.015 ( -6.827 -10.173 -0.811) 12.278 10.675 ( 1.442 2.674 -2.836) 4.156 10.840 ( -0.248 -3.773 -2.116) 4.333 13.523 ( -8.681 -28.945 7.283) 31.084 14.915 ( -3.233 4.746 -6.962) 9.025 ======================= Grid point 1598 (454/489) ======================= q-point: ( 0.65 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( 3.185 5.717 1.127) 6.641 3.258 ( 12.015 20.350 1.273) 23.666 3.529 ( 5.087 9.951 -1.168) 11.237 4.326 ( 7.292 10.853 -1.856) 13.206 5.110 ( 7.264 13.540 0.727) 15.382 5.721 ( 3.905 6.782 0.377) 7.834 8.857 ( -2.166 -1.988 0.342) 2.960 9.010 ( 11.717 20.765 0.323) 23.845 10.675 ( -1.440 -4.212 -2.841) 5.281 10.802 ( 0.557 0.877 -0.383) 1.107 13.052 ( -14.545 -27.529 2.210) 31.214 14.892 ( -1.022 0.873 -1.780) 2.230 ======================= Grid point 1599 (455/489) ======================= q-point: ( 0.71 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( 2.957 4.607 -0.452) 5.493 3.642 ( 6.521 21.253 -1.981) 22.319 3.717 ( 4.829 12.380 2.644) 13.549 4.481 ( 2.988 4.599 -2.338) 5.962 5.332 ( 6.261 6.378 1.003) 8.994 5.883 ( 7.038 5.376 0.724) 8.886 8.872 ( 3.158 3.223 1.530) 4.765 9.411 ( 8.821 21.550 0.728) 23.297 10.544 ( -3.907 -7.854 -2.051) 9.009 10.875 ( 2.381 6.672 -0.542) 7.105 12.510 ( -18.565 -22.493 -1.258) 29.192 14.888 ( 2.550 -4.357 1.715) 5.332 ======================= Grid point 1613 (456/489) ======================= q-point: ( 0.53 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( -0.000 18.697 1.035) 18.725 2.624 ( -0.000 4.817 1.539) 5.057 3.197 ( -0.000 5.202 -2.372) 5.717 3.858 ( -0.000 26.580 -1.386) 26.616 4.708 ( -0.000 26.473 3.505) 26.704 5.621 ( -0.000 2.528 -1.568) 2.975 8.343 ( -0.000 17.197 0.240) 17.199 9.166 ( 0.000 -14.404 -3.081) 14.730 10.674 ( -0.000 6.262 -3.986) 7.423 10.804 ( 0.000 -4.605 0.227) 4.611 13.658 ( 0.000 -30.202 10.991) 32.140 15.001 ( -0.000 7.298 -10.828) 13.057 ======================= Grid point 1614 (457/489) ======================= q-point: ( 0.59 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 0.798 5.687 -0.245) 5.748 2.824 ( 9.453 17.336 0.887) 19.766 3.296 ( 5.832 5.694 -2.110) 8.419 4.120 ( 3.269 19.072 1.071) 19.380 4.974 ( 1.269 22.115 0.361) 22.154 5.665 ( 0.294 6.903 -0.253) 6.914 8.591 ( 8.384 17.652 -0.105) 19.542 9.002 ( -3.405 -8.256 -4.771) 10.125 10.691 ( -0.853 0.954 1.160) 1.728 10.784 ( 1.327 -3.585 -0.279) 3.833 13.344 ( -3.520 -32.428 8.329) 33.665 15.013 ( -3.395 6.973 -8.684) 11.643 ======================= Grid point 1615 (458/489) ======================= q-point: ( 0.65 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 2.280 5.638 0.058) 6.082 3.211 ( 14.446 16.776 1.088) 22.165 3.485 ( 8.806 7.285 -2.103) 11.620 4.340 ( 3.940 10.811 2.484) 11.771 5.183 ( 1.606 15.302 -1.565) 15.466 5.765 ( 0.994 10.236 0.094) 10.285 8.875 ( -1.791 -0.368 -3.308) 3.779 8.978 ( 13.273 17.411 -0.886) 21.912 10.665 ( -2.262 -4.377 2.403) 5.481 10.784 ( 2.006 0.544 0.236) 2.092 12.950 ( -7.085 -31.820 4.651) 32.930 14.970 ( -5.479 4.467 -5.246) 8.803 ======================= Grid point 1631 (459/489) ======================= q-point: ( 0.59 0.59 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( -0.000 5.666 -1.182) 5.788 2.903 ( -0.000 15.830 0.314) 15.833 3.287 ( -0.000 4.962 -1.448) 5.169 4.269 ( -0.000 13.947 3.574) 14.398 5.170 ( -0.000 18.330 -1.976) 18.436 5.754 ( -0.000 11.416 0.097) 11.416 8.679 ( -0.000 15.929 -0.336) 15.933 8.949 ( -0.000 -3.885 -6.701) 7.746 10.704 ( 0.000 -2.413 4.682) 5.267 10.746 ( 0.000 -1.345 0.519) 1.442 13.061 ( 0.000 -34.712 6.888) 35.389 15.093 ( -0.000 7.761 -8.235) 11.316 ======================= Grid point 1632 (460/489) ======================= q-point: (-0.35 -0.41 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 1.074 5.838 0.106) 5.937 3.144 ( 10.054 14.011 0.553) 17.254 3.395 ( 6.960 5.257 -1.442) 8.841 4.406 ( 1.265 8.241 5.090) 9.768 5.314 ( -0.439 13.008 -3.121) 13.385 5.883 ( -0.270 13.936 -0.706) 13.956 8.892 ( 0.628 4.756 -4.303) 6.445 8.927 ( 7.933 11.839 -2.088) 14.403 10.671 ( -2.045 -4.721 6.027) 7.924 10.759 ( 1.796 1.118 0.815) 2.267 12.709 ( -2.303 -34.638 4.402) 34.992 15.103 ( -4.684 6.739 -6.478) 10.455 ======================= Grid point 1649 (461/489) ======================= q-point: (-0.35 -0.35 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( -0.000 5.968 1.873) 6.255 3.182 ( -0.000 11.766 0.374) 11.771 3.374 ( -0.000 4.438 -0.699) 4.493 4.481 ( 0.000 4.994 6.378) 8.101 5.422 ( -0.000 9.802 -3.604) 10.444 6.029 ( -0.000 14.719 -2.257) 14.891 8.933 ( -0.000 6.127 -5.019) 7.920 8.959 ( -0.000 12.082 -0.181) 12.083 10.672 ( 0.000 -4.372 8.101) 9.206 10.755 ( -0.000 1.767 0.154) 1.774 12.386 ( 0.000 -35.134 2.486) 35.222 15.197 ( -0.000 6.970 -6.103) 9.265 ======================= Grid point 1849 (462/489) ======================= q-point: ( 0.35 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 0.000 -0.000 12.811) 12.811 1.196 ( 0.000 -0.000 12.811) 12.811 2.501 ( 0.000 -0.000 29.505) 29.505 2.958 ( -0.000 0.000 -3.192) 3.192 2.958 ( -0.000 0.000 -3.192) 3.192 6.449 ( -0.000 0.000 -14.159) 14.159 7.539 ( 0.000 -0.000 0.898) 0.898 7.539 ( 0.000 -0.000 0.898) 0.898 11.163 ( -0.000 0.000 -0.679) 0.679 11.163 ( -0.000 0.000 -0.679) 0.679 14.647 ( 0.000 -0.000 3.435) 3.435 14.809 ( -0.000 0.000 -2.263) 2.263 ======================= Grid point 1850 (463/489) ======================= q-point: ( 0.41 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 10.294 5.943 10.950) 16.162 1.606 ( 26.439 15.264 9.858) 32.081 2.540 ( -2.052 -1.185 18.606) 18.757 2.963 ( 1.511 0.872 -2.685) 3.202 3.160 ( 15.995 9.235 1.429) 18.524 6.074 ( -15.886 -9.172 -7.362) 19.766 7.604 ( 4.944 2.854 0.523) 5.733 8.395 ( 54.999 31.753 -9.519) 64.216 10.861 ( -23.592 -13.621 -1.050) 27.262 11.127 ( -2.777 -1.603 -0.596) 3.262 14.615 ( -3.744 -2.162 5.583) 7.062 14.852 ( 3.200 1.848 -6.000) 7.047 ======================= Grid point 1851 (464/489) ======================= q-point: ( 0.47 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 16.359 9.445 7.827) 20.447 2.228 ( 15.887 9.172 18.656) 26.165 2.660 ( 16.528 9.542 -2.116) 19.202 3.009 ( 3.082 1.779 -2.095) 4.129 3.627 ( 22.635 13.068 3.542) 26.375 5.789 ( -7.852 -4.533 -5.794) 10.760 7.769 ( 9.203 5.314 0.228) 10.629 9.534 ( 38.116 22.006 -3.353) 44.140 10.248 ( -21.924 -12.658 -8.597) 26.736 11.038 ( -4.666 -2.694 -0.540) 5.414 14.514 ( -7.394 -4.269 9.271) 12.603 14.854 ( -0.998 -0.576 -10.919) 10.980 ======================= Grid point 1852 (465/489) ======================= q-point: ( 0.53 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 17.905 10.337 5.146) 21.305 2.420 ( 2.548 1.471 15.471) 15.749 3.087 ( 4.094 2.364 -1.502) 4.960 3.283 ( 31.588 18.237 -7.057) 37.151 4.181 ( 23.677 13.670 3.361) 27.546 5.648 ( -3.258 -1.881 -4.104) 5.568 8.024 ( 12.726 7.347 0.144) 14.695 9.487 ( -22.843 -13.188 7.890) 27.531 10.448 ( 23.675 13.669 -16.440) 31.900 10.920 ( -5.099 -2.944 -0.537) 5.913 14.279 ( -16.500 -9.526 5.921) 19.952 14.798 ( 0.548 0.316 -6.670) 6.700 ======================= Grid point 1853 (466/489) ======================= q-point: ( 0.59 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 16.796 9.697 3.083) 19.638 2.546 ( 5.238 3.024 8.877) 10.742 3.183 ( 4.452 2.570 -0.942) 5.226 3.923 ( 24.467 14.126 -7.355) 29.193 4.710 ( 20.827 12.025 3.270) 24.271 5.620 ( 2.051 1.184 -1.531) 2.820 8.343 ( 14.546 8.398 0.253) 16.798 9.070 ( -14.103 -8.142 5.939) 17.334 10.757 ( 7.438 4.294 -11.720) 14.530 10.812 ( -3.834 -2.213 -0.558) 4.462 13.786 ( -26.146 -15.095 -1.161) 30.213 14.865 ( 5.334 3.080 2.163) 6.528 ======================= Grid point 1854 (467/489) ======================= q-point: ( 0.65 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( 6.439 3.717 3.315) 8.140 2.898 ( 14.105 8.143 1.413) 16.348 3.282 ( 4.229 2.441 -0.336) 4.894 4.325 ( 12.423 7.172 -7.895) 16.374 5.141 ( 15.083 8.708 4.098) 17.892 5.752 ( 9.526 5.500 0.645) 11.019 8.675 ( 13.740 7.933 0.350) 15.870 8.888 ( -3.411 -1.969 5.875) 7.073 10.751 ( -1.203 -0.695 -0.481) 1.470 10.773 ( -1.696 -0.979 -9.758) 9.952 13.111 ( -30.794 -17.779 -3.484) 35.728 15.026 ( 6.889 3.977 5.857) 9.878 ======================= Grid point 1867 (468/489) ======================= q-point: ( 0.41 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 0.000 12.960 7.639) 15.044 1.606 ( -0.000 30.268 9.789) 31.812 2.603 ( 0.000 -2.974 15.040) 15.331 2.967 ( -0.000 2.386 -2.950) 3.794 3.143 ( -0.000 17.311 3.125) 17.591 6.052 ( -0.000 -17.851 -6.977) 19.166 7.592 ( -0.000 5.132 1.029) 5.234 8.374 ( -0.000 61.819 -7.817) 62.311 10.874 ( 0.000 -25.039 -1.885) 25.109 11.127 ( 0.000 -3.203 -0.554) 3.251 14.622 ( 0.000 -5.292 5.763) 7.824 14.836 ( -0.000 3.317 -5.595) 6.505 ======================= Grid point 1868 (469/489) ======================= q-point: ( 0.47 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 7.610 16.790 5.977) 19.379 2.128 ( 16.605 27.057 11.609) 33.802 2.612 ( 0.836 3.283 3.088) 4.584 3.000 ( 1.340 3.922 -2.191) 4.688 3.475 ( 13.447 19.607 4.258) 24.154 5.825 ( -5.485 -9.367 -5.283) 12.072 7.711 ( 5.399 7.979 0.620) 9.654 9.229 ( 28.134 46.963 -5.504) 55.021 10.422 ( -17.719 -25.148 -5.061) 31.177 11.067 ( -2.326 -3.988 -0.516) 4.645 14.557 ( -2.402 -8.434 8.659) 12.324 14.840 ( -0.633 1.432 -9.303) 9.434 ======================= Grid point 1869 (470/489) ======================= q-point: ( 0.53 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 12.134 18.069 4.292) 22.184 2.463 ( 0.898 2.594 15.144) 15.391 2.982 ( 23.753 25.160 -7.449) 35.394 3.076 ( 2.841 6.311 -1.249) 7.033 3.970 ( 19.137 18.735 3.052) 26.955 5.667 ( -3.488 -4.025 -3.749) 6.513 7.934 ( 8.984 11.317 0.261) 14.451 9.699 ( -14.994 -18.246 10.448) 25.825 10.181 ( 18.703 22.520 -17.579) 34.146 10.972 ( -3.971 -3.356 -0.619) 5.236 14.394 ( -8.320 -13.858 7.484) 17.812 14.793 ( -1.474 1.508 -8.328) 8.591 ======================= Grid point 1870 (471/489) ======================= q-point: ( 0.59 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 12.397 17.260 2.840) 21.440 2.546 ( 2.588 4.050 8.046) 9.372 3.173 ( 2.485 6.746 -0.514) 7.208 3.647 ( 24.255 21.161 -5.345) 32.630 4.495 ( 19.939 15.750 1.861) 25.477 5.603 ( -0.031 -0.369 -1.731) 1.770 8.240 ( 11.163 14.247 0.245) 18.101 9.236 ( -15.450 -14.700 4.964) 21.896 10.606 ( 11.886 8.428 -8.501) 16.869 10.870 ( -4.313 -1.509 -0.985) 4.674 14.005 ( -18.794 -18.614 -0.329) 26.453 14.817 ( 3.448 2.525 0.448) 4.297 ======================= Grid point 1871 (472/489) ======================= q-point: ( 0.65 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( 4.832 4.421 3.851) 7.598 2.823 ( 10.465 17.240 1.169) 20.202 3.284 ( 1.954 7.716 0.365) 7.968 4.152 ( 15.737 12.495 -5.617) 20.864 4.964 ( 17.384 11.373 2.335) 20.905 5.665 ( 5.930 3.819 -0.094) 7.054 8.588 ( 10.965 15.916 0.450) 19.333 8.953 ( -6.587 -6.700 5.343) 10.809 10.728 ( 2.368 -0.104 -6.128) 6.571 10.789 ( -3.581 -0.821 -1.591) 4.004 13.406 ( -26.149 -20.277 -4.284) 33.366 14.944 ( 7.101 1.457 5.490) 9.093 ======================= Grid point 1885 (473/489) ======================= q-point: ( 0.47 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -0.000 18.385 2.956) 18.621 2.331 ( 0.000 28.540 14.105) 31.835 2.653 ( -0.000 8.931 -4.424) 9.966 3.014 ( -0.000 3.930 -2.497) 4.657 3.607 ( -0.000 25.134 5.605) 25.751 5.759 ( -0.000 -8.762 -4.275) 9.749 7.756 ( -0.000 10.589 1.010) 10.637 9.477 ( -0.000 44.767 0.606) 44.771 10.286 ( -0.000 -25.076 -10.887) 27.338 11.034 ( 0.000 -5.509 -0.335) 5.519 14.502 ( 0.000 -12.381 10.090) 15.972 14.838 ( -0.000 2.246 -9.801) 10.055 ======================= Grid point 1886 (474/489) ======================= q-point: ( 0.53 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 8.280 19.678 1.838) 21.428 2.527 ( -0.385 2.190 10.448) 10.682 2.950 ( 11.030 33.745 -6.142) 36.030 3.081 ( 3.270 5.564 -1.715) 6.678 3.959 ( 8.500 25.160 4.343) 26.910 5.658 ( -1.826 -4.800 -2.912) 5.904 7.930 ( 5.817 13.392 0.654) 14.616 9.718 ( -6.307 -19.655 9.893) 22.891 10.161 ( 6.396 25.799 -16.889) 31.492 10.970 ( -0.925 -5.208 -0.420) 5.306 14.361 ( -3.453 -17.764 9.750) 20.556 14.817 ( -1.587 3.117 -9.621) 10.237 ======================= Grid point 1887 (475/489) ======================= q-point: ( 0.59 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 11.129 19.804 1.276) 22.753 2.572 ( 1.392 3.651 4.044) 5.623 3.194 ( 3.802 7.252 -0.950) 8.243 3.518 ( 16.796 28.166 -2.435) 32.884 4.393 ( 12.839 21.422 1.872) 25.045 5.598 ( -0.635 -0.978 -1.317) 1.759 8.219 ( 9.717 16.747 0.300) 19.364 9.317 ( -12.091 -19.499 1.740) 23.010 10.512 ( 8.404 13.857 -4.554) 16.834 10.901 ( -1.838 -3.189 -0.703) 3.747 14.061 ( -10.910 -22.456 3.877) 25.266 14.811 ( 0.096 3.630 -3.862) 5.301 ======================= Grid point 1888 (476/489) ======================= q-point: ( 0.65 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( 3.414 5.070 1.700) 6.344 2.844 ( 10.548 20.675 0.416) 23.214 3.336 ( 3.137 9.165 0.439) 9.697 4.025 ( 14.424 18.284 -2.129) 23.386 4.819 ( 14.214 15.621 0.634) 21.129 5.622 ( 2.913 3.018 -0.112) 4.196 8.586 ( 10.920 19.685 0.263) 22.512 9.001 ( -7.167 -10.413 2.168) 12.825 10.672 ( 3.089 2.443 -2.438) 4.631 10.833 ( -3.001 -2.193 -0.457) 3.745 13.569 ( -18.990 -23.693 -2.092) 30.436 14.870 ( 3.814 1.338 2.392) 4.697 ======================= Grid point 1903 (477/489) ======================= q-point: ( 0.53 0.53 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -0.000 19.869 0.157) 19.869 2.566 ( 0.000 1.179 2.454) 2.722 3.089 ( -0.000 4.863 -1.766) 5.173 3.210 ( -0.000 36.692 -1.691) 36.731 4.175 ( -0.000 27.699 4.182) 28.013 5.624 ( -0.000 -3.146 -1.801) 3.625 8.019 ( -0.000 14.951 0.624) 14.964 9.566 ( 0.000 -25.351 1.806) 25.415 10.342 ( -0.000 26.490 -7.547) 27.544 10.915 ( 0.000 -6.048 0.027) 6.048 14.224 ( 0.000 -22.356 10.188) 24.568 14.841 ( -0.000 4.914 -9.661) 10.839 ======================= Grid point 1904 (478/489) ======================= q-point: ( 0.59 0.53 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 8.608 19.386 -0.402) 21.215 2.592 ( 0.957 3.529 -1.219) 3.854 3.177 ( 4.468 5.682 -1.282) 7.341 3.616 ( 6.616 31.055 0.907) 31.765 4.495 ( 4.168 25.584 1.869) 25.988 5.598 ( -0.335 0.064 -0.633) 0.719 8.240 ( 6.911 16.942 0.204) 18.298 9.273 ( -5.876 -19.995 -2.472) 20.987 10.563 ( 1.871 13.970 0.072) 14.095 10.866 ( 0.731 -4.718 -0.030) 4.774 13.968 ( -4.827 -26.686 7.224) 28.065 14.855 ( -1.341 5.800 -7.138) 9.295 ======================= Grid point 1921 (479/489) ======================= q-point: (-0.41 -0.41 -0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( -0.000 18.917 -1.091) 18.948 2.611 ( -0.000 4.556 -4.377) 6.318 3.182 ( -0.000 5.164 -0.767) 5.221 3.869 ( -0.000 27.458 3.637) 27.698 4.725 ( -0.000 25.031 0.120) 25.031 5.613 ( -0.000 2.933 -0.017) 2.933 8.344 ( -0.000 16.954 -0.008) 16.954 9.125 ( 0.000 -15.955 -5.343) 16.825 10.678 ( 0.000 8.175 4.616) 9.388 10.808 ( 0.000 -4.481 0.421) 4.501 13.745 ( 0.000 -30.667 7.056) 31.469 14.912 ( -0.000 7.361 -7.526) 10.527 ======================= Grid point 2158 (480/489) ======================= q-point: ( 0.41 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 0.000 -0.000 8.136) 8.136 1.296 ( 0.000 -0.000 8.136) 8.136 2.735 ( 0.000 -0.000 19.398) 19.398 2.932 ( -0.000 0.000 -2.277) 2.277 2.932 ( -0.000 0.000 -2.277) 2.277 6.331 ( -0.000 0.000 -10.199) 10.199 7.547 ( 0.000 -0.000 0.596) 0.596 7.547 ( 0.000 -0.000 0.596) 0.596 11.157 ( -0.000 0.000 -0.450) 0.450 11.157 ( -0.000 0.000 -0.450) 0.450 14.679 ( 0.000 -0.000 3.183) 3.183 14.787 ( -0.000 0.000 -2.413) 2.413 ======================= Grid point 2159 (481/489) ======================= q-point: ( 0.47 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 9.847 5.685 6.790) 13.243 1.678 ( 26.736 15.436 5.204) 31.308 2.669 ( -5.428 -3.134 8.850) 10.845 2.942 ( 1.634 0.943 -1.486) 2.402 3.182 ( 16.889 9.751 2.658) 19.682 6.012 ( -14.824 -8.559 -5.190) 17.887 7.607 ( 4.832 2.790 0.098) 5.580 8.329 ( 52.497 30.309 -4.498) 60.785 10.854 ( -23.967 -13.837 -0.380) 27.678 11.123 ( -2.776 -1.603 -0.334) 3.223 14.668 ( -2.229 -1.287 5.427) 6.007 14.797 ( 0.927 0.535 -5.660) 5.761 ======================= Grid point 2160 (482/489) ======================= q-point: ( 0.53 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 15.734 9.084 4.654) 18.755 2.379 ( 25.002 14.435 12.362) 31.405 2.624 ( 5.748 3.319 -4.712) 8.140 2.995 ( 3.178 1.835 -0.671) 3.731 3.652 ( 22.592 13.044 1.324) 26.121 5.746 ( -7.594 -4.384 -3.082) 9.294 7.768 ( 9.185 5.303 -0.237) 10.609 9.506 ( 45.592 26.322 -2.468) 52.703 10.199 ( -29.371 -16.958 -1.810) 33.963 11.034 ( -4.692 -2.709 -0.270) 5.425 14.592 ( -7.425 -4.287 6.036) 10.485 14.762 ( -1.107 -0.639 -7.219) 7.331 ======================= Grid point 2161 (483/489) ======================= q-point: ( 0.59 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 17.382 10.036 2.702) 20.252 2.537 ( 0.562 0.325 8.397) 8.422 3.080 ( 4.146 2.394 0.089) 4.788 3.225 ( 32.068 18.514 -4.492) 37.300 4.197 ( 23.838 13.763 -0.227) 27.527 5.621 ( -2.795 -1.614 -1.338) 3.494 8.023 ( 12.818 7.400 -0.257) 14.803 9.551 ( -24.196 -13.970 4.837) 28.355 10.337 ( 25.253 14.580 -6.191) 29.809 10.916 ( -5.154 -2.975 -0.303) 5.959 14.292 ( -18.696 -10.794 -3.387) 21.853 14.778 ( 3.289 1.899 2.723) 4.673 ======================= Grid point 2176 (484/489) ======================= q-point: ( 0.47 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -0.000 11.949 3.062) 12.335 1.678 ( -0.000 30.604 5.245) 31.050 2.698 ( 0.000 -6.231 5.440) 8.271 2.945 ( -0.000 2.233 -1.733) 2.826 3.179 ( -0.000 18.636 3.566) 18.974 5.998 ( 0.000 -16.800 -3.958) 17.260 7.600 ( -0.000 5.269 0.739) 5.321 8.321 ( -0.000 59.845 -3.470) 59.946 10.860 ( 0.000 -26.614 -1.082) 26.636 11.122 ( 0.000 -3.203 -0.285) 3.216 14.676 ( 0.000 -3.231 5.502) 6.380 14.784 ( -0.000 1.056 -5.237) 5.343 ======================= Grid point 2177 (485/489) ======================= q-point: ( 0.53 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 8.340 15.677 2.099) 17.881 2.205 ( 18.972 32.034 4.338) 37.482 2.626 ( -2.387 -3.272 0.406) 4.071 2.985 ( 1.803 3.686 -0.798) 4.180 3.507 ( 12.496 20.352 1.912) 23.958 5.789 ( -5.321 -9.159 -2.039) 10.787 7.715 ( 5.020 8.215 0.217) 9.630 9.194 ( 29.022 49.767 -1.840) 57.641 10.391 ( -17.877 -29.161 -1.627) 34.243 11.064 ( -2.340 -4.039 -0.177) 4.671 14.633 ( -2.446 -7.057 6.466) 9.879 14.761 ( -1.168 0.211 -6.660) 6.765 ======================= Grid point 2178 (486/489) ======================= q-point: ( 0.59 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 12.368 17.361 1.311) 21.357 2.562 ( -0.851 -0.811 4.136) 4.300 2.928 ( 25.494 27.555 -2.422) 37.618 3.071 ( 2.951 5.993 0.229) 6.684 3.983 ( 18.379 19.343 -0.593) 26.689 5.646 ( -3.247 -3.871 -0.490) 5.076 7.934 ( 8.828 11.549 -0.212) 14.538 9.770 ( -20.435 -23.758 1.701) 31.383 10.076 ( 25.007 27.692 -1.711) 37.352 10.968 ( -4.012 -3.499 -0.108) 5.325 14.423 ( -11.653 -13.291 -2.163) 17.808 14.757 ( 1.741 1.325 1.667) 2.751 ======================= Grid point 2194 (487/489) ======================= q-point: ( 0.53 0.53 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -0.000 18.006 -0.852) 18.026 2.427 ( -0.000 39.065 4.037) 39.273 2.607 ( -0.000 -3.472 -3.065) 4.631 2.997 ( -0.000 3.801 -1.005) 3.931 3.647 ( -0.000 25.650 2.487) 25.770 5.734 ( 0.000 -8.627 -0.756) 8.660 7.764 ( -0.000 10.593 0.670) 10.614 9.487 ( -0.000 52.474 1.575) 52.498 10.212 ( 0.000 -33.428 -4.662) 33.751 11.033 ( 0.000 -5.461 -0.037) 5.461 14.588 ( 0.000 -11.060 6.866) 13.018 14.757 ( -0.000 1.046 -6.110) 6.199 ======================= Grid point 2467 (488/489) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 0.000 -0.000 2.799) 2.799 1.349 ( 0.000 -0.000 2.799) 2.799 2.862 ( 0.000 -0.000 6.821) 6.821 2.917 ( -0.000 0.000 -0.831) 0.831 2.917 ( -0.000 0.000 -0.831) 0.831 6.263 ( -0.000 0.000 -3.756) 3.756 7.550 ( 0.000 -0.000 0.209) 0.209 7.550 ( 0.000 -0.000 0.209) 0.209 11.154 ( -0.000 0.000 -0.158) 0.158 11.154 ( -0.000 0.000 -0.158) 0.158 14.705 ( 0.000 -0.000 1.830) 1.830 14.766 ( -0.000 0.000 -1.562) 1.562 ======================= Grid point 2468 (489/489) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 9.883 5.706 1.939) 11.576 1.703 ( 26.730 15.433 -0.025) 30.865 2.716 ( -6.195 -3.577 1.385) 7.286 2.936 ( 1.782 1.029 0.115) 2.061 3.197 ( 16.586 9.576 -0.005) 19.152 5.983 ( -14.310 -8.262 -0.799) 16.544 7.605 ( 4.699 2.713 -0.344) 5.437 8.306 ( 51.441 29.699 -0.400) 59.400 10.854 ( -23.783 -13.731 0.328) 27.464 11.121 ( -2.775 -1.602 -0.025) 3.204 14.710 ( -0.961 -0.555 1.404) 1.789 14.753 ( -0.783 -0.452 -1.639) 1.872 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/58956 10.0 1539.235 1539.235 3911.923 -0.000 0.000 0.000 3/58956 20.0 777.354 777.354 1119.369 -0.000 -0.000 0.000 3/58956 30.0 327.246 327.246 266.592 -0.000 -0.000 0.000 3/58956 40.0 180.825 180.825 106.571 0.000 -0.000 0.000 3/58956 50.0 124.105 124.105 58.795 0.000 -0.000 0.000 3/58956 60.0 94.666 94.666 38.954 0.000 -0.000 -0.000 3/58956 70.0 75.922 75.922 28.686 0.000 -0.000 -0.000 3/58956 80.0 62.680 62.680 22.546 0.000 -0.000 -0.000 3/58956 90.0 52.848 52.848 18.505 0.000 -0.000 -0.000 3/58956 100.0 45.340 45.340 15.665 0.000 -0.000 -0.000 3/58956 110.0 39.490 39.490 13.572 0.000 -0.000 -0.000 3/58956 120.0 34.851 34.851 11.972 0.000 -0.000 -0.000 3/58956 130.0 31.114 31.114 10.714 0.000 -0.000 -0.000 3/58956 140.0 28.060 28.060 9.700 0.000 -0.000 -0.000 3/58956 150.0 25.529 25.529 8.866 0.000 -0.000 -0.000 3/58956 160.0 23.406 23.406 8.170 0.000 -0.000 -0.000 3/58956 170.0 21.603 21.603 7.579 0.000 -0.000 -0.000 3/58956 180.0 20.057 20.057 7.072 0.000 -0.000 -0.000 3/58956 190.0 18.718 18.718 6.631 0.000 -0.000 -0.000 3/58956 200.0 17.548 17.548 6.244 0.000 -0.000 -0.000 3/58956 210.0 16.518 16.518 5.902 0.000 -0.000 -0.000 3/58956 220.0 15.605 15.605 5.597 0.000 -0.000 -0.000 3/58956 230.0 14.789 14.789 5.324 0.000 -0.000 -0.000 3/58956 240.0 14.057 14.057 5.077 0.000 -0.000 -0.000 3/58956 250.0 13.395 13.395 4.853 0.000 -0.000 -0.000 3/58956 260.0 12.795 12.795 4.648 0.000 -0.000 -0.000 3/58956 270.0 12.248 12.248 4.461 0.000 -0.000 -0.000 3/58956 280.0 11.748 11.748 4.289 0.000 -0.000 -0.000 3/58956 290.0 11.287 11.287 4.130 0.000 -0.000 -0.000 3/58956 300.0 10.863 10.863 3.983 0.000 -0.000 -0.000 3/58956 310.0 10.471 10.471 3.846 0.000 -0.000 -0.000 3/58956 320.0 10.106 10.106 3.719 0.000 -0.000 -0.000 3/58956 330.0 9.767 9.767 3.600 0.000 -0.000 -0.000 3/58956 340.0 9.451 9.451 3.488 0.000 -0.000 -0.000 3/58956 350.0 9.155 9.155 3.384 0.000 -0.000 -0.000 3/58956 360.0 8.878 8.878 3.286 0.000 -0.000 -0.000 3/58956 370.0 8.617 8.617 3.193 0.000 -0.000 -0.000 3/58956 380.0 8.372 8.372 3.106 0.000 -0.000 -0.000 3/58956 390.0 8.141 8.141 3.023 0.000 -0.000 -0.000 3/58956 400.0 7.922 7.922 2.945 0.000 -0.000 -0.000 3/58956 410.0 7.715 7.715 2.870 0.000 -0.000 -0.000 3/58956 420.0 7.519 7.519 2.800 0.000 -0.000 -0.000 3/58956 430.0 7.333 7.333 2.733 0.000 -0.000 -0.000 3/58956 440.0 7.156 7.156 2.669 0.000 -0.000 -0.000 3/58956 450.0 6.988 6.988 2.608 0.000 -0.000 -0.000 3/58956 460.0 6.828 6.828 2.550 0.000 -0.000 -0.000 3/58956 470.0 6.675 6.675 2.494 0.000 -0.000 -0.000 3/58956 480.0 6.529 6.529 2.441 0.000 -0.000 -0.000 3/58956 490.0 6.389 6.389 2.390 0.000 -0.000 -0.000 3/58956 500.0 6.255 6.255 2.341 0.000 -0.000 -0.000 3/58956 510.0 6.127 6.127 2.294 0.000 -0.000 -0.000 3/58956 520.0 6.004 6.004 2.249 0.000 -0.000 -0.000 3/58956 530.0 5.886 5.886 2.206 0.000 -0.000 -0.000 3/58956 540.0 5.773 5.773 2.165 0.000 -0.000 -0.000 3/58956 550.0 5.664 5.664 2.124 0.000 -0.000 -0.000 3/58956 560.0 5.559 5.559 2.086 0.000 -0.000 -0.000 3/58956 570.0 5.458 5.458 2.049 0.000 -0.000 -0.000 3/58956 580.0 5.361 5.361 2.013 0.000 -0.000 -0.000 3/58956 590.0 5.267 5.267 1.978 0.000 -0.000 -0.000 3/58956 600.0 5.176 5.176 1.945 0.000 -0.000 -0.000 3/58956 610.0 5.089 5.089 1.913 0.000 -0.000 -0.000 3/58956 620.0 5.004 5.004 1.881 0.000 -0.000 -0.000 3/58956 630.0 4.922 4.922 1.851 0.000 -0.000 -0.000 3/58956 640.0 4.843 4.843 1.822 0.000 -0.000 -0.000 3/58956 650.0 4.767 4.767 1.793 0.000 -0.000 -0.000 3/58956 660.0 4.693 4.693 1.766 0.000 -0.000 -0.000 3/58956 670.0 4.621 4.621 1.739 0.000 -0.000 -0.000 3/58956 680.0 4.551 4.551 1.713 0.000 -0.000 -0.000 3/58956 690.0 4.484 4.484 1.688 0.000 -0.000 -0.000 3/58956 700.0 4.418 4.418 1.664 0.000 -0.000 -0.000 3/58956 710.0 4.355 4.355 1.640 0.000 -0.000 -0.000 3/58956 720.0 4.293 4.293 1.617 0.000 -0.000 -0.000 3/58956 730.0 4.233 4.233 1.595 0.000 -0.000 -0.000 3/58956 740.0 4.174 4.174 1.573 0.000 -0.000 -0.000 3/58956 750.0 4.118 4.118 1.552 0.000 -0.000 -0.000 3/58956 760.0 4.063 4.063 1.532 0.000 -0.000 -0.000 3/58956 770.0 4.009 4.009 1.512 0.000 -0.000 -0.000 3/58956 780.0 3.956 3.956 1.492 0.000 -0.000 -0.000 3/58956 790.0 3.906 3.906 1.473 0.000 -0.000 -0.000 3/58956 800.0 3.856 3.856 1.454 0.000 -0.000 -0.000 3/58956 810.0 3.807 3.807 1.436 0.000 -0.000 -0.000 3/58956 820.0 3.760 3.760 1.419 0.000 -0.000 -0.000 3/58956 830.0 3.714 3.714 1.402 0.000 -0.000 -0.000 3/58956 840.0 3.669 3.669 1.385 0.000 -0.000 -0.000 3/58956 850.0 3.626 3.626 1.368 0.000 -0.000 -0.000 3/58956 860.0 3.583 3.583 1.352 0.000 -0.000 -0.000 3/58956 870.0 3.541 3.541 1.337 0.000 -0.000 -0.000 3/58956 880.0 3.500 3.500 1.321 0.000 -0.000 -0.000 3/58956 890.0 3.460 3.460 1.306 0.000 -0.000 -0.000 3/58956 900.0 3.421 3.421 1.292 0.000 -0.000 -0.000 3/58956 910.0 3.383 3.383 1.278 0.000 -0.000 -0.000 3/58956 920.0 3.346 3.346 1.264 0.000 -0.000 -0.000 3/58956 930.0 3.310 3.310 1.250 0.000 -0.000 -0.000 3/58956 940.0 3.274 3.274 1.237 0.000 -0.000 -0.000 3/58956 950.0 3.239 3.239 1.224 0.000 -0.000 -0.000 3/58956 960.0 3.205 3.205 1.211 0.000 -0.000 -0.000 3/58956 970.0 3.172 3.172 1.198 0.000 -0.000 -0.000 3/58956 980.0 3.139 3.139 1.186 0.000 -0.000 -0.000 3/58956 990.0 3.107 3.107 1.174 0.000 -0.000 -0.000 3/58956 1000.0 3.076 3.076 1.162 0.000 -0.000 -0.000 3/58956 Thermal conductivity related properties were written into "kappa-m171717.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:39:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|