----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:39:49]------------------------- 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 1.400584603041585 0.808627897588902 4.722526356666661 b -1.400584603041582 0.808627897588902 4.722526356666661 c 0.000000000000002 -1.617255795177807 4.722526356666661 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 *2 O 0.23887407901634 0.23887407901634 0.23887407901634 15.999 3 O 0.76112592098366 0.76112592098366 0.76112592098366 15.999 *4 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 -------------------------------- unit cell --------------------------------- Lattice vectors: a 2.801169206083167 0.000000000000000 0.000000000000000 b -1.400584603041584 2.425883692766710 0.000000000000000 c 0.000000000000000 0.000000000000000 14.167579069999999 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.33333333333333 6.941 > 1 3 Li 0.33333333333333 0.66666666666667 0.66666666666667 6.941 > 1 *4 O 0.00000000000000 0.00000000000000 0.23887407901634 15.999 > 2 5 O 0.66666666666667 0.33333333333333 0.09445925431700 15.999 > 3 6 O 0.66666666666667 0.33333333333333 0.57220741234967 15.999 > 2 7 O 0.33333333333333 0.66666666666667 0.42779258765033 15.999 > 3 8 O 0.33333333333333 0.66666666666667 0.90554074568301 15.999 > 2 9 O 0.00000000000000 0.00000000000000 0.76112592098366 15.999 > 3 *10 Al 0.33333333333333 0.66666666666667 0.16666666666667 26.982 > 4 11 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 4 12 Al 0.66666666666667 0.33333333333333 0.83333333333333 26.982 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.403507618249503 0.000000000000000 0.000000000000000 b -4.201753809124752 7.277651078300130 0.000000000000000 c 0.000000000000000 0.000000000000000 14.167579069999999 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.33333333333333 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.66666666666667 0.00000000000000 0.00000000000000 6.941 > 1 4 Li 0.00000000000000 0.33333333333333 0.00000000000000 6.941 > 1 5 Li 0.33333333333333 0.33333333333333 0.00000000000000 6.941 > 1 6 Li 0.66666666666667 0.33333333333333 0.00000000000000 6.941 > 1 7 Li 0.00000000000000 0.66666666666667 0.00000000000000 6.941 > 1 8 Li 0.33333333333333 0.66666666666667 0.00000000000000 6.941 > 1 9 Li 0.66666666666667 0.66666666666667 0.00000000000000 6.941 > 1 10 Li 0.22222222222222 0.11111111111111 0.33333333333333 6.941 > 1 11 Li 0.55555555555556 0.11111111111111 0.33333333333333 6.941 > 1 12 Li 0.88888888888889 0.11111111111111 0.33333333333333 6.941 > 1 13 Li 0.22222222222222 0.44444444444444 0.33333333333333 6.941 > 1 14 Li 0.55555555555556 0.44444444444444 0.33333333333333 6.941 > 1 15 Li 0.88888888888889 0.44444444444444 0.33333333333333 6.941 > 1 16 Li 0.22222222222222 0.77777777777778 0.33333333333333 6.941 > 1 17 Li 0.55555555555556 0.77777777777778 0.33333333333333 6.941 > 1 18 Li 0.88888888888889 0.77777777777778 0.33333333333333 6.941 > 1 19 Li 0.11111111111111 0.22222222222222 0.66666666666667 6.941 > 1 20 Li 0.44444444444444 0.22222222222222 0.66666666666667 6.941 > 1 21 Li 0.77777777777778 0.22222222222222 0.66666666666667 6.941 > 1 22 Li 0.11111111111111 0.55555555555556 0.66666666666667 6.941 > 1 23 Li 0.44444444444444 0.55555555555556 0.66666666666667 6.941 > 1 24 Li 0.77777777777778 0.55555555555556 0.66666666666667 6.941 > 1 25 Li 0.11111111111111 0.88888888888889 0.66666666666667 6.941 > 1 26 Li 0.44444444444444 0.88888888888889 0.66666666666667 6.941 > 1 27 Li 0.77777777777778 0.88888888888889 0.66666666666667 6.941 > 1 *28 O 0.00000000000000 0.00000000000000 0.23887407901634 15.999 > 2 29 O 0.33333333333333 0.00000000000000 0.23887407901634 15.999 > 2 30 O 0.66666666666667 0.00000000000000 0.23887407901634 15.999 > 2 31 O 0.00000000000000 0.33333333333333 0.23887407901634 15.999 > 2 32 O 0.33333333333333 0.33333333333333 0.23887407901634 15.999 > 2 33 O 0.66666666666667 0.33333333333333 0.23887407901634 15.999 > 2 34 O 0.00000000000000 0.66666666666667 0.23887407901634 15.999 > 2 35 O 0.33333333333333 0.66666666666667 0.23887407901634 15.999 > 2 36 O 0.66666666666667 0.66666666666667 0.23887407901634 15.999 > 2 37 O 0.22222222222222 0.11111111111111 0.09445925431700 15.999 > 3 38 O 0.55555555555556 0.11111111111111 0.09445925431700 15.999 > 3 39 O 0.88888888888889 0.11111111111111 0.09445925431700 15.999 > 3 40 O 0.22222222222222 0.44444444444444 0.09445925431700 15.999 > 3 41 O 0.55555555555556 0.44444444444444 0.09445925431700 15.999 > 3 42 O 0.88888888888889 0.44444444444444 0.09445925431700 15.999 > 3 43 O 0.22222222222222 0.77777777777778 0.09445925431700 15.999 > 3 44 O 0.55555555555556 0.77777777777778 0.09445925431700 15.999 > 3 45 O 0.88888888888889 0.77777777777778 0.09445925431700 15.999 > 3 46 O 0.22222222222222 0.11111111111111 0.57220741234967 15.999 > 2 47 O 0.55555555555556 0.11111111111111 0.57220741234967 15.999 > 2 48 O 0.88888888888889 0.11111111111111 0.57220741234967 15.999 > 2 49 O 0.22222222222222 0.44444444444444 0.57220741234967 15.999 > 2 50 O 0.55555555555556 0.44444444444444 0.57220741234967 15.999 > 2 51 O 0.88888888888889 0.44444444444444 0.57220741234967 15.999 > 2 52 O 0.22222222222222 0.77777777777778 0.57220741234967 15.999 > 2 53 O 0.55555555555556 0.77777777777778 0.57220741234967 15.999 > 2 54 O 0.88888888888889 0.77777777777778 0.57220741234967 15.999 > 2 55 O 0.11111111111111 0.22222222222222 0.42779258765033 15.999 > 3 56 O 0.44444444444444 0.22222222222222 0.42779258765033 15.999 > 3 57 O 0.77777777777778 0.22222222222222 0.42779258765033 15.999 > 3 58 O 0.11111111111111 0.55555555555556 0.42779258765033 15.999 > 3 59 O 0.44444444444444 0.55555555555556 0.42779258765033 15.999 > 3 60 O 0.77777777777778 0.55555555555556 0.42779258765033 15.999 > 3 61 O 0.11111111111111 0.88888888888889 0.42779258765033 15.999 > 3 62 O 0.44444444444444 0.88888888888889 0.42779258765033 15.999 > 3 63 O 0.77777777777778 0.88888888888889 0.42779258765033 15.999 > 3 64 O 0.11111111111111 0.22222222222222 0.90554074568301 15.999 > 2 65 O 0.44444444444444 0.22222222222222 0.90554074568301 15.999 > 2 66 O 0.77777777777778 0.22222222222222 0.90554074568301 15.999 > 2 67 O 0.11111111111111 0.55555555555556 0.90554074568301 15.999 > 2 68 O 0.44444444444444 0.55555555555556 0.90554074568301 15.999 > 2 69 O 0.77777777777778 0.55555555555556 0.90554074568301 15.999 > 2 70 O 0.11111111111111 0.88888888888889 0.90554074568301 15.999 > 2 71 O 0.44444444444444 0.88888888888889 0.90554074568301 15.999 > 2 72 O 0.77777777777778 0.88888888888889 0.90554074568301 15.999 > 2 73 O 0.00000000000000 0.00000000000000 0.76112592098366 15.999 > 3 74 O 0.33333333333333 0.00000000000000 0.76112592098366 15.999 > 3 75 O 0.66666666666667 0.00000000000000 0.76112592098366 15.999 > 3 76 O 0.00000000000000 0.33333333333333 0.76112592098366 15.999 > 3 77 O 0.33333333333333 0.33333333333333 0.76112592098366 15.999 > 3 78 O 0.66666666666667 0.33333333333333 0.76112592098366 15.999 > 3 79 O 0.00000000000000 0.66666666666667 0.76112592098366 15.999 > 3 80 O 0.33333333333333 0.66666666666667 0.76112592098366 15.999 > 3 81 O 0.66666666666667 0.66666666666667 0.76112592098366 15.999 > 3 *82 Al 0.11111111111111 0.22222222222222 0.16666666666667 26.982 > 4 83 Al 0.44444444444444 0.22222222222222 0.16666666666667 26.982 > 4 84 Al 0.77777777777778 0.22222222222222 0.16666666666667 26.982 > 4 85 Al 0.11111111111111 0.55555555555556 0.16666666666667 26.982 > 4 86 Al 0.44444444444444 0.55555555555556 0.16666666666667 26.982 > 4 87 Al 0.77777777777778 0.55555555555556 0.16666666666667 26.982 > 4 88 Al 0.11111111111111 0.88888888888889 0.16666666666667 26.982 > 4 89 Al 0.44444444444444 0.88888888888889 0.16666666666667 26.982 > 4 90 Al 0.77777777777778 0.88888888888889 0.16666666666667 26.982 > 4 91 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 4 92 Al 0.33333333333333 0.00000000000000 0.50000000000000 26.982 > 4 93 Al 0.66666666666667 0.00000000000000 0.50000000000000 26.982 > 4 94 Al 0.00000000000000 0.33333333333333 0.50000000000000 26.982 > 4 95 Al 0.33333333333333 0.33333333333333 0.50000000000000 26.982 > 4 96 Al 0.66666666666667 0.33333333333333 0.50000000000000 26.982 > 4 97 Al 0.00000000000000 0.66666666666667 0.50000000000000 26.982 > 4 98 Al 0.33333333333333 0.66666666666667 0.50000000000000 26.982 > 4 99 Al 0.66666666666667 0.66666666666667 0.50000000000000 26.982 > 4 100 Al 0.22222222222222 0.11111111111111 0.83333333333333 26.982 > 4 101 Al 0.55555555555556 0.11111111111111 0.83333333333333 26.982 > 4 102 Al 0.88888888888889 0.11111111111111 0.83333333333333 26.982 > 4 103 Al 0.22222222222222 0.44444444444444 0.83333333333333 26.982 > 4 104 Al 0.55555555555556 0.44444444444444 0.83333333333333 26.982 > 4 105 Al 0.88888888888889 0.44444444444444 0.83333333333333 26.982 > 4 106 Al 0.22222222222222 0.77777777777778 0.83333333333333 26.982 > 4 107 Al 0.55555555555556 0.77777777777778 0.83333333333333 26.982 > 4 108 Al 0.88888888888889 0.77777777777778 0.83333333333333 26.982 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1716378 -0.0000000 0.0000000 0.0000000 3.1716378 0.0000000 0.0000000 0.0000000 2.9830500 -------------------------- Born effective charges -------------------------- 1 Li 1.0196669 0.0000000 0.0000000 0.0000000 1.0196669 0.0000000 0.0000000 0.0000000 1.3153727 2 O -1.9997522 -0.0000000 0.0000000 0.0000000 -1.9997522 0.0000000 0.0000000 0.0000000 -1.7355407 3 O -1.9997522 -0.0000000 0.0000000 0.0000000 -1.9997522 0.0000000 0.0000000 0.0000000 -1.7355407 4 Al 2.9798375 -0.0000000 0.0000000 0.0000000 2.9798375 0.0000000 0.0000000 0.0000000 2.1557087 ---------------------------------------------------------------------------- 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: 214 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 80 / 80 - Time: 0.110 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.117 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 214 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:39:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:39:53]------------------------- 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 1.400584603041585 0.808627897588902 4.722526356666661 b -1.400584603041582 0.808627897588902 4.722526356666661 c 0.000000000000002 -1.617255795177807 4.722526356666661 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 O 0.23887407901634 0.23887407901634 0.23887407901634 15.999 3 O 0.76112592098366 0.76112592098366 0.76112592098366 15.999 4 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.403507618249503 0.000000000000000 0.000000000000000 b -4.201753809124752 7.277651078300130 0.000000000000000 c 0.000000000000000 0.000000000000000 14.167579069999999 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.33333333333333 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.66666666666667 0.00000000000000 0.00000000000000 6.941 > 1 4 Li 0.00000000000000 0.33333333333333 0.00000000000000 6.941 > 1 5 Li 0.33333333333333 0.33333333333333 0.00000000000000 6.941 > 1 6 Li 0.66666666666667 0.33333333333333 0.00000000000000 6.941 > 1 7 Li 0.00000000000000 0.66666666666667 0.00000000000000 6.941 > 1 8 Li 0.33333333333333 0.66666666666667 0.00000000000000 6.941 > 1 9 Li 0.66666666666667 0.66666666666667 0.00000000000000 6.941 > 1 10 Li 0.22222222222222 0.11111111111111 0.33333333333333 6.941 > 1 11 Li 0.55555555555556 0.11111111111111 0.33333333333333 6.941 > 1 12 Li 0.88888888888889 0.11111111111111 0.33333333333333 6.941 > 1 13 Li 0.22222222222222 0.44444444444444 0.33333333333333 6.941 > 1 14 Li 0.55555555555556 0.44444444444444 0.33333333333333 6.941 > 1 15 Li 0.88888888888889 0.44444444444444 0.33333333333333 6.941 > 1 16 Li 0.22222222222222 0.77777777777778 0.33333333333333 6.941 > 1 17 Li 0.55555555555556 0.77777777777778 0.33333333333333 6.941 > 1 18 Li 0.88888888888889 0.77777777777778 0.33333333333333 6.941 > 1 19 Li 0.11111111111111 0.22222222222222 0.66666666666667 6.941 > 1 20 Li 0.44444444444444 0.22222222222222 0.66666666666667 6.941 > 1 21 Li 0.77777777777778 0.22222222222222 0.66666666666667 6.941 > 1 22 Li 0.11111111111111 0.55555555555556 0.66666666666667 6.941 > 1 23 Li 0.44444444444444 0.55555555555556 0.66666666666667 6.941 > 1 24 Li 0.77777777777778 0.55555555555556 0.66666666666667 6.941 > 1 25 Li 0.11111111111111 0.88888888888889 0.66666666666667 6.941 > 1 26 Li 0.44444444444444 0.88888888888889 0.66666666666667 6.941 > 1 27 Li 0.77777777777778 0.88888888888889 0.66666666666667 6.941 > 1 28 O 0.00000000000000 0.00000000000000 0.23887407901634 15.999 > 28 29 O 0.33333333333333 0.00000000000000 0.23887407901634 15.999 > 28 30 O 0.66666666666667 0.00000000000000 0.23887407901634 15.999 > 28 31 O 0.00000000000000 0.33333333333333 0.23887407901634 15.999 > 28 32 O 0.33333333333333 0.33333333333333 0.23887407901634 15.999 > 28 33 O 0.66666666666667 0.33333333333333 0.23887407901634 15.999 > 28 34 O 0.00000000000000 0.66666666666667 0.23887407901634 15.999 > 28 35 O 0.33333333333333 0.66666666666667 0.23887407901634 15.999 > 28 36 O 0.66666666666667 0.66666666666667 0.23887407901634 15.999 > 28 37 O 0.22222222222222 0.11111111111111 0.09445925431700 15.999 > 37 38 O 0.55555555555556 0.11111111111111 0.09445925431700 15.999 > 37 39 O 0.88888888888889 0.11111111111111 0.09445925431700 15.999 > 37 40 O 0.22222222222222 0.44444444444444 0.09445925431700 15.999 > 37 41 O 0.55555555555556 0.44444444444444 0.09445925431700 15.999 > 37 42 O 0.88888888888889 0.44444444444444 0.09445925431700 15.999 > 37 43 O 0.22222222222222 0.77777777777778 0.09445925431700 15.999 > 37 44 O 0.55555555555556 0.77777777777778 0.09445925431700 15.999 > 37 45 O 0.88888888888889 0.77777777777778 0.09445925431700 15.999 > 37 46 O 0.22222222222222 0.11111111111111 0.57220741234967 15.999 > 28 47 O 0.55555555555556 0.11111111111111 0.57220741234967 15.999 > 28 48 O 0.88888888888889 0.11111111111111 0.57220741234967 15.999 > 28 49 O 0.22222222222222 0.44444444444444 0.57220741234967 15.999 > 28 50 O 0.55555555555556 0.44444444444444 0.57220741234967 15.999 > 28 51 O 0.88888888888889 0.44444444444444 0.57220741234967 15.999 > 28 52 O 0.22222222222222 0.77777777777778 0.57220741234967 15.999 > 28 53 O 0.55555555555556 0.77777777777778 0.57220741234967 15.999 > 28 54 O 0.88888888888889 0.77777777777778 0.57220741234967 15.999 > 28 55 O 0.11111111111111 0.22222222222222 0.42779258765033 15.999 > 37 56 O 0.44444444444444 0.22222222222222 0.42779258765033 15.999 > 37 57 O 0.77777777777778 0.22222222222222 0.42779258765033 15.999 > 37 58 O 0.11111111111111 0.55555555555556 0.42779258765033 15.999 > 37 59 O 0.44444444444444 0.55555555555556 0.42779258765033 15.999 > 37 60 O 0.77777777777778 0.55555555555556 0.42779258765033 15.999 > 37 61 O 0.11111111111111 0.88888888888889 0.42779258765033 15.999 > 37 62 O 0.44444444444444 0.88888888888889 0.42779258765033 15.999 > 37 63 O 0.77777777777778 0.88888888888889 0.42779258765033 15.999 > 37 64 O 0.11111111111111 0.22222222222222 0.90554074568301 15.999 > 28 65 O 0.44444444444444 0.22222222222222 0.90554074568301 15.999 > 28 66 O 0.77777777777778 0.22222222222222 0.90554074568301 15.999 > 28 67 O 0.11111111111111 0.55555555555556 0.90554074568301 15.999 > 28 68 O 0.44444444444444 0.55555555555556 0.90554074568301 15.999 > 28 69 O 0.77777777777778 0.55555555555556 0.90554074568301 15.999 > 28 70 O 0.11111111111111 0.88888888888889 0.90554074568301 15.999 > 28 71 O 0.44444444444444 0.88888888888889 0.90554074568301 15.999 > 28 72 O 0.77777777777778 0.88888888888889 0.90554074568301 15.999 > 28 73 O 0.00000000000000 0.00000000000000 0.76112592098366 15.999 > 37 74 O 0.33333333333333 0.00000000000000 0.76112592098366 15.999 > 37 75 O 0.66666666666667 0.00000000000000 0.76112592098366 15.999 > 37 76 O 0.00000000000000 0.33333333333333 0.76112592098366 15.999 > 37 77 O 0.33333333333333 0.33333333333333 0.76112592098366 15.999 > 37 78 O 0.66666666666667 0.33333333333333 0.76112592098366 15.999 > 37 79 O 0.00000000000000 0.66666666666667 0.76112592098366 15.999 > 37 80 O 0.33333333333333 0.66666666666667 0.76112592098366 15.999 > 37 81 O 0.66666666666667 0.66666666666667 0.76112592098366 15.999 > 37 82 Al 0.11111111111111 0.22222222222222 0.16666666666667 26.982 > 82 83 Al 0.44444444444444 0.22222222222222 0.16666666666667 26.982 > 82 84 Al 0.77777777777778 0.22222222222222 0.16666666666667 26.982 > 82 85 Al 0.11111111111111 0.55555555555556 0.16666666666667 26.982 > 82 86 Al 0.44444444444444 0.55555555555556 0.16666666666667 26.982 > 82 87 Al 0.77777777777778 0.55555555555556 0.16666666666667 26.982 > 82 88 Al 0.11111111111111 0.88888888888889 0.16666666666667 26.982 > 82 89 Al 0.44444444444444 0.88888888888889 0.16666666666667 26.982 > 82 90 Al 0.77777777777778 0.88888888888889 0.16666666666667 26.982 > 82 91 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 82 92 Al 0.33333333333333 0.00000000000000 0.50000000000000 26.982 > 82 93 Al 0.66666666666667 0.00000000000000 0.50000000000000 26.982 > 82 94 Al 0.00000000000000 0.33333333333333 0.50000000000000 26.982 > 82 95 Al 0.33333333333333 0.33333333333333 0.50000000000000 26.982 > 82 96 Al 0.66666666666667 0.33333333333333 0.50000000000000 26.982 > 82 97 Al 0.00000000000000 0.66666666666667 0.50000000000000 26.982 > 82 98 Al 0.33333333333333 0.66666666666667 0.50000000000000 26.982 > 82 99 Al 0.66666666666667 0.66666666666667 0.50000000000000 26.982 > 82 100 Al 0.22222222222222 0.11111111111111 0.83333333333333 26.982 > 82 101 Al 0.55555555555556 0.11111111111111 0.83333333333333 26.982 > 82 102 Al 0.88888888888889 0.11111111111111 0.83333333333333 26.982 > 82 103 Al 0.22222222222222 0.44444444444444 0.83333333333333 26.982 > 82 104 Al 0.55555555555556 0.44444444444444 0.83333333333333 26.982 > 82 105 Al 0.88888888888889 0.44444444444444 0.83333333333333 26.982 > 82 106 Al 0.22222222222222 0.77777777777778 0.83333333333333 26.982 > 82 107 Al 0.55555555555556 0.77777777777778 0.83333333333333 26.982 > 82 108 Al 0.88888888888889 0.77777777777778 0.83333333333333 26.982 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1716378 -0.0000000 0.0000000 0.0000000 3.1716378 0.0000000 0.0000000 0.0000000 2.9830500 -------------------------- Born effective charges -------------------------- 1 Li 1.0196669 0.0000000 0.0000000 0.0000000 1.0196669 0.0000000 0.0000000 0.0000000 1.3153727 2 O -1.9997522 -0.0000000 0.0000000 0.0000000 -1.9997522 0.0000000 0.0000000 0.0000000 -1.7355407 3 O -1.9997522 -0.0000000 0.0000000 0.0000000 -1.9997522 0.0000000 0.0000000 0.0000000 -1.7355407 4 Al 2.9798375 -0.0000000 0.0000000 0.0000000 2.9798375 0.0000000 0.0000000 0.0000000 2.1557087 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 28, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:39:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:39:58]------------------------- 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 1.400584603041585 0.808627897588902 4.722526356666661 b -1.400584603041582 0.808627897588902 4.722526356666661 c 0.000000000000002 -1.617255795177807 4.722526356666661 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 O 0.23887407901634 0.23887407901634 0.23887407901634 15.999 3 O 0.76112592098366 0.76112592098366 0.76112592098366 15.999 4 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.403507618249503 0.000000000000000 0.000000000000000 b -4.201753809124752 7.277651078300130 0.000000000000000 c 0.000000000000000 0.000000000000000 14.167579069999999 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.33333333333333 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.66666666666667 0.00000000000000 0.00000000000000 6.941 > 1 4 Li 0.00000000000000 0.33333333333333 0.00000000000000 6.941 > 1 5 Li 0.33333333333333 0.33333333333333 0.00000000000000 6.941 > 1 6 Li 0.66666666666667 0.33333333333333 0.00000000000000 6.941 > 1 7 Li 0.00000000000000 0.66666666666667 0.00000000000000 6.941 > 1 8 Li 0.33333333333333 0.66666666666667 0.00000000000000 6.941 > 1 9 Li 0.66666666666667 0.66666666666667 0.00000000000000 6.941 > 1 10 Li 0.22222222222222 0.11111111111111 0.33333333333333 6.941 > 1 11 Li 0.55555555555556 0.11111111111111 0.33333333333333 6.941 > 1 12 Li 0.88888888888889 0.11111111111111 0.33333333333333 6.941 > 1 13 Li 0.22222222222222 0.44444444444444 0.33333333333333 6.941 > 1 14 Li 0.55555555555556 0.44444444444444 0.33333333333333 6.941 > 1 15 Li 0.88888888888889 0.44444444444444 0.33333333333333 6.941 > 1 16 Li 0.22222222222222 0.77777777777778 0.33333333333333 6.941 > 1 17 Li 0.55555555555556 0.77777777777778 0.33333333333333 6.941 > 1 18 Li 0.88888888888889 0.77777777777778 0.33333333333333 6.941 > 1 19 Li 0.11111111111111 0.22222222222222 0.66666666666667 6.941 > 1 20 Li 0.44444444444444 0.22222222222222 0.66666666666667 6.941 > 1 21 Li 0.77777777777778 0.22222222222222 0.66666666666667 6.941 > 1 22 Li 0.11111111111111 0.55555555555556 0.66666666666667 6.941 > 1 23 Li 0.44444444444444 0.55555555555556 0.66666666666667 6.941 > 1 24 Li 0.77777777777778 0.55555555555556 0.66666666666667 6.941 > 1 25 Li 0.11111111111111 0.88888888888889 0.66666666666667 6.941 > 1 26 Li 0.44444444444444 0.88888888888889 0.66666666666667 6.941 > 1 27 Li 0.77777777777778 0.88888888888889 0.66666666666667 6.941 > 1 28 O 0.00000000000000 0.00000000000000 0.23887407901634 15.999 > 28 29 O 0.33333333333333 0.00000000000000 0.23887407901634 15.999 > 28 30 O 0.66666666666667 0.00000000000000 0.23887407901634 15.999 > 28 31 O 0.00000000000000 0.33333333333333 0.23887407901634 15.999 > 28 32 O 0.33333333333333 0.33333333333333 0.23887407901634 15.999 > 28 33 O 0.66666666666667 0.33333333333333 0.23887407901634 15.999 > 28 34 O 0.00000000000000 0.66666666666667 0.23887407901634 15.999 > 28 35 O 0.33333333333333 0.66666666666667 0.23887407901634 15.999 > 28 36 O 0.66666666666667 0.66666666666667 0.23887407901634 15.999 > 28 37 O 0.22222222222222 0.11111111111111 0.09445925431700 15.999 > 37 38 O 0.55555555555556 0.11111111111111 0.09445925431700 15.999 > 37 39 O 0.88888888888889 0.11111111111111 0.09445925431700 15.999 > 37 40 O 0.22222222222222 0.44444444444444 0.09445925431700 15.999 > 37 41 O 0.55555555555556 0.44444444444444 0.09445925431700 15.999 > 37 42 O 0.88888888888889 0.44444444444444 0.09445925431700 15.999 > 37 43 O 0.22222222222222 0.77777777777778 0.09445925431700 15.999 > 37 44 O 0.55555555555556 0.77777777777778 0.09445925431700 15.999 > 37 45 O 0.88888888888889 0.77777777777778 0.09445925431700 15.999 > 37 46 O 0.22222222222222 0.11111111111111 0.57220741234967 15.999 > 28 47 O 0.55555555555556 0.11111111111111 0.57220741234967 15.999 > 28 48 O 0.88888888888889 0.11111111111111 0.57220741234967 15.999 > 28 49 O 0.22222222222222 0.44444444444444 0.57220741234967 15.999 > 28 50 O 0.55555555555556 0.44444444444444 0.57220741234967 15.999 > 28 51 O 0.88888888888889 0.44444444444444 0.57220741234967 15.999 > 28 52 O 0.22222222222222 0.77777777777778 0.57220741234967 15.999 > 28 53 O 0.55555555555556 0.77777777777778 0.57220741234967 15.999 > 28 54 O 0.88888888888889 0.77777777777778 0.57220741234967 15.999 > 28 55 O 0.11111111111111 0.22222222222222 0.42779258765033 15.999 > 37 56 O 0.44444444444444 0.22222222222222 0.42779258765033 15.999 > 37 57 O 0.77777777777778 0.22222222222222 0.42779258765033 15.999 > 37 58 O 0.11111111111111 0.55555555555556 0.42779258765033 15.999 > 37 59 O 0.44444444444444 0.55555555555556 0.42779258765033 15.999 > 37 60 O 0.77777777777778 0.55555555555556 0.42779258765033 15.999 > 37 61 O 0.11111111111111 0.88888888888889 0.42779258765033 15.999 > 37 62 O 0.44444444444444 0.88888888888889 0.42779258765033 15.999 > 37 63 O 0.77777777777778 0.88888888888889 0.42779258765033 15.999 > 37 64 O 0.11111111111111 0.22222222222222 0.90554074568301 15.999 > 28 65 O 0.44444444444444 0.22222222222222 0.90554074568301 15.999 > 28 66 O 0.77777777777778 0.22222222222222 0.90554074568301 15.999 > 28 67 O 0.11111111111111 0.55555555555556 0.90554074568301 15.999 > 28 68 O 0.44444444444444 0.55555555555556 0.90554074568301 15.999 > 28 69 O 0.77777777777778 0.55555555555556 0.90554074568301 15.999 > 28 70 O 0.11111111111111 0.88888888888889 0.90554074568301 15.999 > 28 71 O 0.44444444444444 0.88888888888889 0.90554074568301 15.999 > 28 72 O 0.77777777777778 0.88888888888889 0.90554074568301 15.999 > 28 73 O 0.00000000000000 0.00000000000000 0.76112592098366 15.999 > 37 74 O 0.33333333333333 0.00000000000000 0.76112592098366 15.999 > 37 75 O 0.66666666666667 0.00000000000000 0.76112592098366 15.999 > 37 76 O 0.00000000000000 0.33333333333333 0.76112592098366 15.999 > 37 77 O 0.33333333333333 0.33333333333333 0.76112592098366 15.999 > 37 78 O 0.66666666666667 0.33333333333333 0.76112592098366 15.999 > 37 79 O 0.00000000000000 0.66666666666667 0.76112592098366 15.999 > 37 80 O 0.33333333333333 0.66666666666667 0.76112592098366 15.999 > 37 81 O 0.66666666666667 0.66666666666667 0.76112592098366 15.999 > 37 82 Al 0.11111111111111 0.22222222222222 0.16666666666667 26.982 > 82 83 Al 0.44444444444444 0.22222222222222 0.16666666666667 26.982 > 82 84 Al 0.77777777777778 0.22222222222222 0.16666666666667 26.982 > 82 85 Al 0.11111111111111 0.55555555555556 0.16666666666667 26.982 > 82 86 Al 0.44444444444444 0.55555555555556 0.16666666666667 26.982 > 82 87 Al 0.77777777777778 0.55555555555556 0.16666666666667 26.982 > 82 88 Al 0.11111111111111 0.88888888888889 0.16666666666667 26.982 > 82 89 Al 0.44444444444444 0.88888888888889 0.16666666666667 26.982 > 82 90 Al 0.77777777777778 0.88888888888889 0.16666666666667 26.982 > 82 91 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 82 92 Al 0.33333333333333 0.00000000000000 0.50000000000000 26.982 > 82 93 Al 0.66666666666667 0.00000000000000 0.50000000000000 26.982 > 82 94 Al 0.00000000000000 0.33333333333333 0.50000000000000 26.982 > 82 95 Al 0.33333333333333 0.33333333333333 0.50000000000000 26.982 > 82 96 Al 0.66666666666667 0.33333333333333 0.50000000000000 26.982 > 82 97 Al 0.00000000000000 0.66666666666667 0.50000000000000 26.982 > 82 98 Al 0.33333333333333 0.66666666666667 0.50000000000000 26.982 > 82 99 Al 0.66666666666667 0.66666666666667 0.50000000000000 26.982 > 82 100 Al 0.22222222222222 0.11111111111111 0.83333333333333 26.982 > 82 101 Al 0.55555555555556 0.11111111111111 0.83333333333333 26.982 > 82 102 Al 0.88888888888889 0.11111111111111 0.83333333333333 26.982 > 82 103 Al 0.22222222222222 0.44444444444444 0.83333333333333 26.982 > 82 104 Al 0.55555555555556 0.44444444444444 0.83333333333333 26.982 > 82 105 Al 0.88888888888889 0.44444444444444 0.83333333333333 26.982 > 82 106 Al 0.22222222222222 0.77777777777778 0.83333333333333 26.982 > 82 107 Al 0.55555555555556 0.77777777777778 0.83333333333333 26.982 > 82 108 Al 0.88888888888889 0.77777777777778 0.83333333333333 26.982 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1716378 -0.0000000 0.0000000 0.0000000 3.1716378 0.0000000 0.0000000 0.0000000 2.9830500 -------------------------- Born effective charges -------------------------- 1 Li 1.0196669 0.0000000 0.0000000 0.0000000 1.0196669 0.0000000 0.0000000 0.0000000 1.3153727 2 O -1.9997522 -0.0000000 0.0000000 0.0000000 -1.9997522 0.0000000 0.0000000 0.0000000 -1.7355407 3 O -1.9997522 -0.0000000 0.0000000 0.0000000 -1.9997522 0.0000000 0.0000000 0.0000000 -1.7355407 4 Al 2.9798375 -0.0000000 0.0000000 0.0000000 2.9798375 0.0000000 0.0000000 0.0000000 2.1557087 ---------------------------------------------------------------------------- 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 ... [ 21 21 21 ] 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: 1.31, Number of G-points: 313, Lambda: 0.24 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/891) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 891 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 7.779 ( 0.000 0.000 0.000) 0.000 7.779 ( 0.000 0.000 0.000) 0.000 12.200 ( 0.000 0.000 0.000) 0.000 12.501 ( 0.000 0.000 0.000) 0.000 12.501 ( 0.000 0.000 0.000) 0.000 14.094 ( 0.000 0.000 0.000) 0.000 14.094 ( 0.000 0.000 0.000) 0.000 18.921 ( 0.000 0.000 0.000) 0.000 21.467 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/891) ======================= q-point: ( 0.05 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 33.499 19.340 32.514) 50.531 1.338 ( 55.885 32.265 19.258) 67.343 2.158 ( 95.496 55.135 -6.795) 110.479 7.817 ( 3.358 1.939 -0.660) 3.933 8.711 ( 14.972 8.644 -16.060) 23.596 12.213 ( -4.376 -2.526 20.881) 21.483 12.509 ( 0.733 0.423 -0.373) 0.926 12.731 ( 16.872 9.741 10.277) 22.027 14.123 ( 2.417 1.396 1.039) 2.978 18.874 ( -3.389 -1.957 -4.709) 6.123 21.269 ( -8.661 -5.000 -25.245) 27.153 24.650 ( -5.237 -3.024 -4.176) 7.349 ======================= Grid point 2 (3/891) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 39.121 22.587 29.767) 54.099 2.657 ( 54.726 31.596 18.660) 65.890 4.267 ( 92.319 53.300 -7.485) 106.863 7.922 ( 6.083 3.512 -1.607) 7.205 9.121 ( 24.494 14.142 -9.342) 29.787 12.203 ( -1.568 -0.905 12.272) 12.405 12.531 ( 1.295 0.748 -0.563) 1.598 13.286 ( 28.250 16.310 10.527) 34.277 14.209 ( 4.736 2.734 1.714) 5.731 18.737 ( -6.589 -3.804 -9.511) 12.180 20.854 ( -23.839 -13.763 -0.699) 27.535 24.456 ( -9.306 -5.373 -12.797) 16.711 ======================= Grid point 3 (4/891) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( 44.471 25.675 26.647) 57.853 3.937 ( 52.696 30.424 17.723) 63.377 6.273 ( 86.675 50.042 -8.902) 100.479 8.074 ( 7.775 4.489 -2.984) 9.460 9.736 ( 31.628 18.261 -6.555) 37.105 12.221 ( -0.350 -0.202 11.329) 11.336 12.561 ( 1.462 0.844 -0.485) 1.757 14.039 ( 34.149 19.716 9.825) 40.637 14.348 ( 6.884 3.974 1.819) 8.154 18.514 ( -9.471 -5.468 -14.618) 18.256 20.200 ( -35.109 -20.270 12.778) 42.507 24.147 ( -13.072 -7.547 -18.896) 24.184 ======================= Grid point 4 (5/891) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.939 ( 47.806 27.601 23.747) 60.093 5.156 ( 49.624 28.650 16.534) 59.639 8.108 ( 77.369 44.669 -11.644) 90.094 8.246 ( 8.406 4.853 -4.733) 10.798 10.494 ( 36.588 21.124 -3.509) 42.394 12.264 ( 0.910 0.526 11.089) 11.139 12.590 ( 1.003 0.579 -0.201) 1.176 14.531 ( 8.782 5.070 1.389) 10.236 14.852 ( 33.757 19.490 7.793) 39.751 18.211 ( -12.005 -6.931 -20.011) 24.343 19.383 ( -41.403 -23.904 24.365) 53.659 23.740 ( -16.556 -9.559 -23.132) 30.009 ======================= Grid point 5 (6/891) ======================= q-point: ( 0.24 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.113 ( 48.791 28.169 21.134) 60.172 6.287 ( 45.175 26.082 15.220) 54.339 8.418 ( 8.400 4.850 -6.656) 11.763 9.651 ( 61.527 35.523 -16.155) 72.859 11.370 ( 40.983 23.661 0.929) 47.332 12.346 ( 3.701 2.137 9.655) 10.558 12.600 ( -0.187 -0.108 0.122) 0.248 14.752 ( 10.258 5.923 0.674) 11.865 15.554 ( 24.375 14.073 3.430) 28.354 17.848 ( -13.020 -7.517 -21.266) 26.044 18.554 ( -38.528 -22.244 33.238) 55.534 23.244 ( -19.881 -11.479 -25.680) 34.445 ======================= Grid point 6 (7/891) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.276 ( 47.553 27.455 18.711) 58.010 7.289 ( 38.306 22.116 13.896) 46.364 8.587 ( 9.085 5.245 -8.460) 13.476 10.743 ( 40.085 23.143 -19.182) 50.104 12.242 ( 24.814 14.327 7.942) 29.734 12.577 ( -1.947 -1.124 0.332) 2.273 12.599 ( 25.278 14.594 0.435) 29.192 14.995 ( 10.992 6.346 -0.008) 12.693 15.841 ( -2.157 -1.245 1.065) 2.708 17.606 ( -0.045 -0.026 -8.911) 8.911 17.921 ( -26.084 -15.060 28.579) 41.520 22.669 ( -23.087 -13.329 -26.589) 37.652 ======================= Grid point 7 (8/891) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.379 ( 44.224 25.533 16.404) 53.636 8.065 ( 24.529 14.162 11.047) 30.402 8.815 ( 15.277 8.820 -8.232) 19.466 11.374 ( 22.096 12.757 -16.996) 30.657 12.513 ( -3.842 -2.218 0.388) 4.453 12.528 ( 6.474 3.738 1.604) 7.646 13.355 ( 30.145 17.404 -8.307) 35.786 15.242 ( 10.616 6.129 -0.438) 12.266 15.607 ( -14.230 -8.215 20.854) 26.549 17.515 ( -11.089 -6.402 0.429) 12.812 17.824 ( 12.776 7.376 11.372) 18.627 22.022 ( -26.145 -15.095 -25.799) 39.712 ======================= Grid point 8 (9/891) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.375 ( 38.795 22.398 14.182) 46.988 8.434 ( 7.873 4.545 3.268) 9.660 9.256 ( 23.078 13.324 -2.276) 26.745 11.682 ( 10.328 5.963 -13.506) 18.018 12.410 ( -5.201 -3.003 0.344) 6.015 12.549 ( -4.994 -2.883 -9.632) 11.226 13.748 ( 10.216 5.898 -10.480) 15.779 15.464 ( 8.911 5.145 -0.560) 10.304 15.530 ( -3.662 -2.114 39.912) 40.136 17.436 ( 6.631 3.829 -4.679) 8.974 18.185 ( 15.080 8.706 5.697) 18.321 21.314 ( -28.977 -16.730 -23.247) 40.742 ======================= Grid point 9 (10/891) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.545 ( 2.642 1.526 -0.002) 3.051 9.213 ( 30.584 17.658 11.687) 37.199 9.733 ( 17.769 10.259 0.078) 20.518 11.739 ( -2.618 -1.511 -14.896) 15.200 12.291 ( -5.032 -2.905 0.247) 5.816 12.307 ( -9.166 -5.292 -6.058) 12.195 13.913 ( 7.900 4.561 -6.645) 11.286 15.536 ( -7.402 -4.273 31.333) 32.478 15.633 ( 5.946 3.433 -0.434) 6.880 17.771 ( 20.455 11.810 -1.808) 23.689 18.543 ( 16.274 9.396 3.634) 19.140 20.558 ( -31.303 -18.073 -19.002) 40.836 ======================= Grid point 10 (11/891) ======================= q-point: ( 0.48 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.580 ( 0.700 0.404 -0.235) 0.841 9.780 ( 14.351 8.286 5.970) 17.614 10.018 ( 6.644 3.836 0.158) 7.673 11.509 ( -8.518 -4.918 -8.879) 13.251 12.204 ( -2.239 -1.293 0.094) 2.587 12.207 ( -0.641 -0.370 -0.340) 0.814 14.037 ( 3.663 2.115 -3.179) 5.292 15.457 ( -4.376 -2.527 11.607) 12.660 15.724 ( 2.089 1.206 -0.161) 2.418 18.136 ( 8.616 4.974 0.608) 9.967 19.034 ( 26.212 15.134 6.578) 30.974 19.784 ( -31.327 -18.087 -13.083) 38.467 ======================= Grid point 22 (12/891) ======================= q-point: ( 0.05 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -0.000 32.089 40.035) 51.308 1.211 ( -0.000 63.118 -4.974) 63.314 2.298 ( -0.000 109.306 20.402) 111.194 7.813 ( 0.000 3.914 -1.423) 4.165 8.642 ( 0.000 23.304 -26.121) 35.006 12.344 ( -0.000 -16.464 44.011) 46.990 12.510 ( 0.000 0.867 -0.211) 0.893 12.678 ( 0.000 17.702 -1.864) 17.799 14.116 ( 0.000 2.450 -0.459) 2.493 18.849 ( 0.000 -3.795 -10.191) 10.875 21.129 ( 0.000 3.122 -45.931) 46.037 24.690 ( -0.000 -5.169 2.473) 5.730 ======================= Grid point 23 (13/891) ======================= q-point: ( 0.10 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 23.973 26.537 39.335) 53.162 2.314 ( 44.238 51.309 4.549) 67.899 3.798 ( 43.646 96.926 10.081) 106.776 7.887 ( 3.395 6.106 -2.023) 7.273 8.931 ( 13.469 23.845 -15.472) 31.455 12.264 ( -3.485 -5.348 17.656) 18.775 12.614 ( 1.123 6.138 2.247) 6.632 12.989 ( 18.477 14.342 4.797) 23.877 14.194 ( 4.454 5.457 0.588) 7.069 18.733 ( -3.227 -5.834 -14.692) 16.134 20.932 ( -6.953 -16.513 -11.697) 21.398 24.539 ( -9.810 -4.906 -6.005) 12.505 ======================= Grid point 24 (14/891) ======================= q-point: ( 0.14 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 38.119 23.695 34.251) 56.459 3.589 ( 44.620 48.058 10.567) 66.424 5.597 ( 60.890 80.156 1.080) 100.667 8.026 ( 5.093 8.768 -2.881) 10.541 9.441 ( 23.177 24.728 -10.435) 35.462 12.242 ( -0.365 -3.516 11.821) 12.338 12.681 ( -4.165 12.837 0.407) 13.502 13.556 ( 31.792 5.385 6.968) 32.989 14.385 ( 6.897 14.265 2.128) 15.987 18.527 ( -6.339 -7.812 -18.920) 21.429 20.480 ( -20.222 -26.366 8.362) 34.264 24.244 ( -13.887 -6.499 -14.538) 21.129 ======================= Grid point 25 (15/891) ======================= q-point: ( 0.19 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.456 ( 45.332 23.470 29.047) 58.733 4.832 ( 42.038 46.788 12.363) 64.103 7.381 ( 64.067 64.980 -5.239) 91.402 8.206 ( 5.411 12.126 -3.595) 13.756 10.118 ( 30.948 24.792 -6.945) 40.258 12.252 ( 1.359 -3.744 10.146) 10.900 12.734 ( -6.055 15.516 0.331) 16.659 14.118 ( 30.011 -6.173 4.104) 30.913 14.769 ( 14.495 26.184 4.418) 30.253 18.239 ( -9.138 -9.706 -22.663) 26.293 19.814 ( -30.337 -30.184 21.701) 47.982 23.848 ( -16.642 -8.999 -20.747) 28.078 ======================= Grid point 26 (16/891) ======================= q-point: ( 0.24 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.580 ( 49.059 22.579 24.766) 59.414 6.010 ( 38.021 45.614 12.349) 60.652 8.373 ( 6.173 12.875 -7.672) 16.209 9.006 ( 56.070 51.944 -8.379) 76.891 10.930 ( 37.792 25.175 -2.716) 45.490 12.283 ( 3.320 -4.389 8.603) 10.212 12.779 ( -7.652 16.742 0.609) 18.418 14.492 ( 21.387 -5.337 1.375) 22.085 15.351 ( 20.597 21.803 3.502) 30.198 17.885 ( -10.680 -10.808 -23.384) 27.887 19.051 ( -34.488 -28.171 31.108) 54.321 23.366 ( -18.952 -11.843 -24.693) 33.304 ======================= Grid point 27 (17/891) ======================= q-point: ( 0.29 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.715 ( 50.105 20.088 21.163) 57.982 7.092 ( 32.218 44.092 11.671) 55.842 8.560 ( 3.637 15.059 -8.360) 17.604 10.246 ( 42.673 34.865 -14.818) 57.062 11.870 ( 41.063 25.663 2.454) 48.485 12.349 ( 7.910 -3.714 4.640) 9.894 12.804 ( -8.995 16.958 0.374) 19.199 14.788 ( 17.266 -1.272 0.210) 17.314 15.778 ( 9.487 5.213 -0.503) 10.837 17.580 ( -4.389 -5.741 -15.727) 17.308 18.356 ( -30.689 -20.034 33.431) 49.606 22.808 ( -21.059 -14.822 -26.543) 36.983 ======================= Grid point 28 (18/891) ======================= q-point: ( 0.33 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.799 ( 48.609 15.256 17.844) 53.982 8.026 ( 22.536 41.555 10.796) 48.490 8.756 ( 4.831 18.486 -9.355) 21.274 11.045 ( 27.182 19.546 -16.417) 37.288 12.362 ( 6.794 -3.107 3.984) 8.467 12.757 ( -4.271 18.011 2.715) 18.709 12.946 ( 31.995 18.838 -7.855) 37.951 15.048 ( 13.973 -1.338 0.121) 14.038 15.758 ( -5.648 -7.864 8.097) 12.622 17.547 ( 2.514 -0.585 -13.019) 13.273 17.913 ( -13.956 -4.851 31.112) 34.442 22.184 ( -23.019 -17.769 -26.361) 39.250 ======================= Grid point 29 (19/891) ======================= q-point: ( 0.38 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.748 ( 42.412 6.438 13.807) 45.065 8.663 ( 4.565 34.837 5.477) 35.560 9.121 ( 15.865 27.623 -4.496) 32.171 11.486 ( 15.265 9.216 -14.250) 22.826 12.403 ( 1.667 -3.628 -2.494) 4.708 12.710 ( -12.711 9.941 -4.269) 16.691 13.553 ( 18.391 10.480 -10.113) 23.459 15.207 ( 10.889 -10.500 7.467) 16.870 15.758 ( 2.331 6.639 23.575) 24.603 17.415 ( -4.108 -1.207 -6.160) 7.502 18.057 ( 11.140 7.092 13.014) 18.541 21.503 ( -24.839 -20.513 -24.157) 40.266 ======================= Grid point 30 (20/891) ======================= q-point: ( 0.43 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.360 ( 20.895 -1.216 5.846) 21.731 9.111 ( 12.355 31.586 5.169) 34.308 9.671 ( 13.067 29.002 -0.055) 31.810 11.670 ( 4.950 1.946 -13.138) 14.174 12.321 ( -4.760 -4.400 -6.338) 9.066 12.510 ( -14.993 5.104 -4.313) 16.414 13.797 ( 8.586 5.809 -7.322) 12.692 15.286 ( 9.498 -17.839 13.042) 24.053 15.967 ( -4.298 15.927 20.326) 26.178 17.534 ( 16.642 8.657 -3.383) 19.062 18.370 ( 14.024 5.805 5.876) 16.276 20.779 ( -26.476 -22.823 -20.086) 40.316 ======================= Grid point 31 (21/891) ======================= q-point: ( 0.48 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.560 ( 4.321 1.633 1.159) 4.763 9.668 ( 16.157 20.967 5.416) 27.018 10.065 ( 2.903 21.576 -0.347) 21.774 11.582 ( -7.580 -2.844 -11.259) 13.868 12.201 ( -1.355 -1.364 -3.031) 3.590 12.346 ( -10.426 6.888 -1.101) 12.544 13.960 ( 6.879 4.423 -5.529) 9.872 15.246 ( 5.512 -22.824 9.835) 25.457 16.042 ( -11.523 20.062 6.771) 24.107 17.977 ( 18.300 7.497 4.088) 20.194 18.739 ( 22.825 7.789 4.620) 24.556 20.028 ( -27.409 -24.192 -14.570) 39.355 ======================= Grid point 32 (22/891) ======================= q-point: (-0.48 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.601 ( -1.063 1.461 0.300) 1.831 9.930 ( -6.707 6.056 -4.831) 10.247 10.188 ( -6.694 13.050 1.304) 14.725 11.485 ( 1.534 5.066 3.036) 6.102 12.194 ( 0.509 -0.255 -2.049) 2.127 12.285 ( -5.219 9.537 -0.570) 10.886 14.055 ( 1.478 1.202 -0.777) 2.057 15.143 ( 7.866 -20.937 -3.078) 22.576 16.037 ( -13.247 20.000 -1.785) 24.056 18.173 ( 0.358 -2.684 3.824) 4.686 19.247 ( -13.286 -13.216 -4.741) 19.330 19.426 ( 22.700 2.841 7.082) 23.949 ======================= Grid point 33 (23/891) ======================= q-point: (-0.43 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.549 ( -3.921 -4.768 -1.070) 6.265 9.587 ( -27.153 -2.228 -10.267) 29.115 10.071 ( -21.257 8.899 0.905) 23.063 11.713 ( 9.079 5.145 14.321) 17.720 12.217 ( 4.331 2.274 0.422) 4.910 12.350 ( -0.244 12.790 -0.429) 12.799 14.013 ( -5.818 -3.023 4.847) 8.154 15.105 ( 13.113 -16.913 -18.357) 28.196 15.965 ( -14.835 16.757 -7.658) 23.654 17.976 ( -15.695 -11.840 3.364) 19.946 18.696 ( -17.023 -15.164 -3.845) 23.120 20.189 ( 36.977 12.545 17.027) 42.598 ======================= Grid point 34 (24/891) ======================= q-point: (-0.38 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.294 ( -11.991 -22.876 -7.280) 26.834 9.047 ( -33.070 9.313 -7.330) 35.130 9.676 ( -31.205 3.573 1.059) 31.427 11.797 ( -4.047 -4.207 11.542) 12.934 12.373 ( 4.054 3.935 4.058) 6.956 12.560 ( 7.099 14.755 5.905) 17.406 13.874 ( -7.524 -4.129 7.755) 11.567 15.087 ( 12.040 -16.240 -26.630) 33.434 15.798 ( -16.549 9.969 -12.239) 22.870 17.577 ( -14.661 -9.185 4.663) 17.918 18.323 ( -13.378 -10.460 -3.141) 17.270 20.988 ( 34.943 11.928 21.068) 42.511 ======================= Grid point 35 (25/891) ======================= q-point: (-0.33 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.606 ( -28.939 -34.507 -14.312) 47.255 8.594 ( -35.693 13.253 -7.939) 38.893 9.172 ( -28.549 1.674 5.594) 29.140 11.629 ( -13.576 -8.326 13.873) 21.121 12.421 ( 0.105 -3.772 1.104) 3.932 12.741 ( -5.272 14.165 2.140) 15.265 13.659 ( -18.843 -12.002 10.400) 24.642 15.080 ( 15.065 -11.721 -18.358) 26.483 15.565 ( -10.091 4.928 -13.302) 17.409 17.442 ( 1.716 2.842 -1.385) 3.597 17.971 ( -15.169 -9.316 -3.519) 18.145 21.744 ( 31.789 11.053 23.236) 40.897 ======================= Grid point 36 (26/891) ======================= q-point: (-0.29 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.622 ( -38.860 -35.131 -16.942) 55.058 7.914 ( -48.753 2.671 -11.467) 50.155 8.844 ( -18.302 4.884 8.120) 20.609 11.221 ( -29.345 -14.643 18.349) 37.580 12.314 ( -3.884 -8.793 -5.387) 11.019 12.727 ( -14.373 10.568 -3.293) 18.141 13.001 ( -33.984 -17.396 2.663) 38.271 15.049 ( -4.904 -12.399 0.328) 13.337 15.681 ( 17.155 5.783 -7.109) 19.449 17.612 ( 8.557 9.364 -28.079) 30.812 17.679 ( -2.570 -3.639 12.868) 13.617 22.437 ( 28.182 10.113 23.610) 38.131 ======================= Grid point 37 (27/891) ======================= q-point: (-0.24 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.514 ( -43.953 -34.027 -18.331) 58.530 6.971 ( -55.837 -3.651 -12.240) 57.280 8.636 ( -15.250 4.066 6.648) 17.126 10.412 ( -52.709 -22.676 17.834) 60.087 11.837 ( -39.974 -20.586 -4.018) 45.143 12.292 ( -3.658 -9.920 -6.731) 12.533 12.794 ( -10.476 16.486 -1.652) 19.603 14.788 ( -8.208 -15.460 0.346) 17.508 15.775 ( -10.399 -5.680 -1.164) 11.906 17.735 ( 14.352 4.940 13.654) 20.416 18.038 ( 28.357 15.090 -27.998) 42.611 23.056 ( 24.353 9.056 22.303) 34.242 ======================= Grid point 38 (28/891) ======================= q-point: (-0.19 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.357 ( -46.171 -31.723 -18.947) 59.136 5.885 ( -60.367 -7.056 -12.485) 62.047 8.436 ( -14.088 1.842 4.964) 15.050 9.111 ( -75.197 -27.960 12.496) 81.194 10.947 ( -38.559 -18.562 0.305) 42.796 12.197 ( 0.976 -4.246 -8.127) 9.221 12.769 ( -10.337 15.120 -1.302) 18.362 14.480 ( -7.057 -21.489 -0.998) 22.640 15.309 ( -30.984 -6.137 -4.668) 31.929 18.107 ( 14.284 4.105 19.134) 24.228 18.757 ( 45.000 18.017 -25.860) 54.940 23.590 ( 20.418 7.773 19.402) 29.219 ======================= Grid point 39 (29/891) ======================= q-point: (-0.14 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.214 ( -46.139 -27.500 -18.254) 56.730 4.710 ( -63.727 -8.329 -11.764) 65.336 7.453 ( -89.883 -27.440 9.014) 94.409 8.236 ( -12.595 0.418 2.248) 12.801 10.169 ( -35.209 -13.330 2.850) 37.756 12.163 ( 1.290 -1.874 -7.110) 7.465 12.730 ( -10.096 13.073 -0.562) 16.528 14.077 ( -12.018 -28.834 -3.964) 31.489 14.727 ( -29.612 2.245 -3.811) 29.941 18.415 ( 11.990 3.180 10.978) 16.564 19.632 ( 45.038 13.583 -13.065) 48.823 24.030 ( 16.432 6.085 14.857) 22.973 ======================= Grid point 40 (30/891) ======================= q-point: (-0.10 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( -44.460 -19.349 -14.274) 50.545 3.491 ( -66.305 -6.838 -8.812) 67.236 5.619 (-100.264 -19.661 5.263) 102.309 8.046 ( -10.152 -0.471 0.980) 10.210 9.513 ( -30.938 -7.132 3.158) 31.906 12.152 ( 1.151 -0.480 -4.871) 5.028 12.680 ( -8.954 9.703 0.156) 13.204 13.495 ( -22.664 -21.285 -5.237) 31.530 14.367 ( -15.425 2.048 -1.338) 15.618 18.650 ( 9.560 1.772 4.949) 10.910 20.416 ( 37.690 7.071 -4.045) 38.560 24.363 ( 12.383 3.663 8.426) 15.419 ======================= Grid point 41 (31/891) ======================= q-point: (-0.05 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -41.601 -0.000 0.000) 41.601 2.292 ( -67.633 -0.000 0.000) 67.633 3.746 (-107.393 -0.000 0.000) 107.393 7.897 ( -6.951 -0.000 0.000) 6.951 9.017 ( -23.538 -0.000 0.000) 23.538 12.160 ( 1.100 0.000 -0.000) 1.100 12.605 ( -6.243 -0.000 0.000) 6.243 12.967 ( -22.975 -0.000 0.000) 22.975 14.191 ( -6.906 -0.000 0.000) 6.906 18.806 ( 6.653 0.000 -0.000) 6.653 20.999 ( 26.923 0.000 -0.000) 26.923 24.572 ( 8.223 0.000 -0.000) 8.223 ======================= Grid point 44 (32/891) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -0.000 36.982 34.764) 50.756 2.406 ( -0.000 61.916 -5.048) 62.121 4.551 ( -0.000 106.205 19.473) 107.975 7.913 ( 0.000 7.555 -2.347) 7.911 9.040 ( 0.000 30.925 -15.932) 34.788 12.312 ( -0.000 -9.769 22.813) 24.817 12.527 ( 0.000 1.073 -0.993) 1.462 13.144 ( 0.000 31.143 -4.263) 31.433 14.190 ( -0.000 5.452 -0.191) 5.455 18.634 ( 0.000 -7.861 -19.738) 21.246 20.768 ( 0.000 -21.697 -6.131) 22.546 24.565 ( 0.000 -7.438 -2.846) 7.964 ======================= Grid point 45 (33/891) ======================= q-point: ( 0.14 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 12.673 36.598 33.514) 51.218 3.373 ( 37.989 55.354 -2.085) 67.168 5.831 ( 22.291 99.184 14.786) 102.727 8.029 ( 4.399 9.931 -2.510) 11.148 9.395 ( 10.346 32.389 -13.467) 36.571 12.259 ( -1.932 -5.505 13.060) 14.304 12.697 ( 14.029 0.769 2.438) 14.260 13.420 ( -0.292 27.562 -2.227) 27.653 14.359 ( 10.621 11.388 0.475) 15.580 18.447 ( -3.023 -10.188 -23.589) 25.873 20.451 ( -7.617 -30.815 7.143) 32.536 24.369 ( -11.328 -7.939 -7.276) 15.630 ======================= Grid point 46 (34/891) ======================= q-point: ( 0.19 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( 28.742 32.547 31.532) 53.662 4.609 ( 44.007 51.409 1.189) 67.682 7.272 ( 34.582 84.179 5.876) 91.195 8.238 ( 6.770 15.494 -1.380) 16.965 9.922 ( 19.715 30.741 -10.808) 38.086 12.234 ( -0.031 -4.501 9.644) 10.643 12.944 ( 6.130 11.018 0.752) 12.631 13.691 ( 12.306 8.795 0.734) 15.144 14.758 ( 15.879 21.095 1.484) 26.445 18.175 ( -5.834 -12.643 -26.129) 29.608 19.956 ( -16.779 -35.611 18.964) 43.696 24.000 ( -17.609 -8.937 -13.516) 23.930 ======================= Grid point 47 (35/891) ======================= q-point: ( 0.24 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.159 ( 38.238 28.850 27.946) 55.456 5.850 ( 41.645 50.421 3.385) 65.483 8.348 ( 13.308 24.989 -10.854) 30.321 8.830 ( 31.086 62.319 6.802) 69.974 10.596 ( 29.307 28.417 -7.357) 41.479 12.229 ( 1.222 -4.734 8.141) 9.497 13.109 ( -5.181 21.103 -0.414) 21.733 14.021 ( 23.159 -4.281 0.802) 23.565 15.267 ( 16.774 21.556 1.319) 27.345 17.836 ( -7.563 -14.359 -25.649) 30.352 19.341 ( -23.404 -33.909 27.738) 49.669 23.517 ( -20.914 -11.267 -18.903) 30.359 ======================= Grid point 48 (36/891) ======================= q-point: ( 0.29 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.206 ( 42.794 24.996 24.116) 55.115 7.021 ( 36.186 50.143 4.309) 61.986 8.647 ( 4.829 20.932 -9.497) 23.488 9.977 ( 31.391 49.612 -4.005) 58.846 11.443 ( 39.130 28.901 -2.499) 48.710 12.240 ( 2.940 -4.870 6.231) 8.437 13.187 ( -11.220 23.925 -0.772) 26.437 14.383 ( 24.780 -5.911 -0.392) 25.478 15.672 ( 10.304 8.846 -1.370) 13.649 17.517 ( -4.104 -10.668 -18.988) 22.163 18.727 ( -24.975 -25.639 31.733) 47.834 22.948 ( -22.746 -14.587 -22.519) 35.175 ======================= Grid point 49 (37/891) ======================= q-point: ( 0.33 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.243 ( 43.506 20.278 20.341) 52.131 8.078 ( 28.604 48.991 4.391) 56.900 8.896 ( 2.085 25.271 -9.641) 27.128 10.794 ( 22.759 29.138 -10.284) 38.377 12.252 ( 6.149 -0.638 6.200) 8.755 12.448 ( 39.893 23.566 -4.687) 46.570 13.191 ( -14.818 22.500 -1.414) 26.979 14.724 ( 20.868 -4.935 -0.982) 21.466 15.733 ( -0.514 -8.543 1.420) 8.675 17.424 ( 5.010 -1.287 -12.477) 13.506 18.248 ( -19.964 -12.491 31.320) 39.186 22.311 ( -23.758 -18.457 -24.019) 38.497 ======================= Grid point 50 (38/891) ======================= q-point: ( 0.38 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.193 ( 40.185 14.329 16.326) 45.680 8.926 ( 12.498 41.209 2.608) 43.142 9.206 ( 8.304 35.028 -7.928) 36.861 11.288 ( 15.129 14.981 -11.439) 24.170 12.312 ( 4.119 -2.711 -0.523) 4.959 13.050 ( -8.777 9.698 -10.867) 17.005 13.310 ( 18.758 24.839 -0.219) 31.127 14.935 ( 11.788 -10.880 3.646) 16.451 15.729 ( 9.546 -2.137 14.010) 17.087 17.431 ( -0.588 -1.628 -10.733) 10.872 18.092 ( -2.784 2.210 23.948) 24.210 21.622 ( -24.232 -22.448 -23.231) 40.383 ======================= Grid point 51 (39/891) ======================= q-point: ( 0.43 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.962 ( 30.654 8.003 11.214) 33.608 9.338 ( 1.800 33.195 -2.045) 33.307 9.812 ( 12.222 41.247 -2.062) 43.069 11.550 ( 8.063 6.289 -10.232) 14.466 12.310 ( -0.690 -2.749 -6.985) 7.538 12.848 ( -17.021 7.551 -6.495) 19.720 13.715 ( 7.774 13.198 -5.266) 16.198 14.996 ( 9.468 -16.898 11.255) 22.402 16.086 ( 15.096 10.942 18.819) 26.491 17.403 ( 4.158 4.463 -6.637) 9.014 18.253 ( 7.813 3.926 11.904) 14.771 20.896 ( -24.355 -26.090 -20.169) 40.996 ======================= Grid point 52 (40/891) ======================= q-point: ( 0.48 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.439 ( 14.848 4.938 5.213) 16.493 9.728 ( 7.397 30.164 0.642) 31.065 10.297 ( 1.960 32.166 -3.043) 32.369 11.620 ( -1.114 2.973 -8.507) 9.080 12.211 ( -3.241 -1.154 -6.898) 7.708 12.649 ( -14.196 9.935 -2.243) 17.472 13.892 ( 4.493 8.579 -5.521) 11.147 14.973 ( 5.187 -21.375 10.161) 24.228 16.400 ( -2.336 17.631 10.486) 20.646 17.705 ( 22.402 8.148 2.806) 24.002 18.482 ( 13.783 1.640 5.419) 14.900 20.153 ( -24.201 -28.717 -15.248) 40.533 ======================= Grid point 53 (41/891) ======================= q-point: ( 0.52 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.627 ( 2.024 3.461 1.218) 4.191 10.093 ( 0.936 20.638 -3.207) 20.906 10.481 ( -6.932 20.172 -0.197) 21.330 11.588 ( -4.654 9.356 -1.267) 10.526 12.176 ( 0.197 1.197 -4.184) 4.356 12.541 ( -10.812 13.049 -1.155) 16.986 14.020 ( 4.246 5.473 -4.681) 8.361 14.838 ( 2.700 -22.505 2.964) 22.859 16.464 ( -12.724 20.566 -0.593) 24.192 18.095 ( 10.075 -0.024 8.268) 13.034 18.908 ( 32.586 5.138 7.085) 33.740 19.421 ( -22.830 -29.051 -9.452) 38.138 ======================= Grid point 54 (42/891) ======================= q-point: (-0.43 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.596 ( -6.223 -2.940 -1.864) 7.131 10.006 ( -21.423 9.745 -9.554) 25.401 10.554 ( -13.905 20.990 5.072) 25.684 11.688 ( 3.931 8.768 8.268) 12.677 12.187 ( 1.363 2.671 -2.797) 4.100 12.545 ( -5.287 16.164 -0.891) 17.030 14.083 ( -1.730 1.979 1.035) 2.825 14.692 ( 7.443 -19.455 -11.160) 23.631 16.384 ( -17.208 17.509 -7.191) 25.581 18.085 ( -7.591 -9.749 6.474) 13.949 18.787 ( -16.772 -22.459 -4.729) 28.427 19.665 ( 41.732 6.845 14.078) 44.572 ======================= Grid point 55 (43/891) ======================= q-point: (-0.38 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.318 ( -15.175 -15.257 -6.496) 22.478 9.658 ( -28.088 14.628 -5.795) 32.195 10.351 ( -32.921 17.649 2.301) 37.424 11.821 ( 0.994 -2.242 9.444) 9.757 12.331 ( 8.219 5.833 6.698) 12.101 12.667 ( 1.203 18.428 -1.070) 18.498 14.002 ( -8.338 -0.336 4.737) 9.595 14.637 ( 11.735 -16.078 -22.975) 30.398 16.164 ( -20.387 8.220 -10.015) 24.156 17.755 ( -15.893 -12.256 5.555) 20.825 18.398 ( -9.682 -12.995 -2.493) 16.396 20.498 ( 41.239 6.889 18.014) 45.526 ======================= Grid point 56 (44/891) ======================= q-point: (-0.33 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.730 ( -26.484 -25.153 -10.995) 38.144 9.314 ( -31.346 18.960 -4.598) 36.922 9.860 ( -41.050 12.969 3.046) 43.157 11.764 ( -5.972 -5.522 9.585) 12.571 12.421 ( -2.306 -3.618 5.033) 6.613 12.954 ( 4.109 21.501 3.637) 22.190 13.857 ( -11.849 -3.918 8.250) 14.961 14.606 ( 14.674 -12.627 -26.980) 33.207 15.804 ( -19.646 -2.677 -7.970) 21.370 17.493 ( -6.400 -1.367 1.050) 6.628 18.102 ( -11.937 -9.918 -2.072) 15.658 21.307 ( 38.377 6.630 19.543) 43.574 ======================= Grid point 57 (45/891) ======================= q-point: (-0.29 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.886 ( -36.189 -28.259 -13.232) 47.784 8.806 ( -47.715 13.525 -8.877) 50.383 9.364 ( -30.653 11.947 7.308) 33.700 11.556 ( -16.838 -8.403 14.242) 23.600 12.283 ( -4.836 -8.596 -2.691) 10.223 13.131 ( -11.339 24.145 -1.944) 26.745 13.385 ( -31.155 -19.542 4.248) 37.021 14.813 ( 20.195 -7.596 -7.677) 22.901 15.510 ( -2.189 -3.417 -6.610) 7.756 17.509 ( 4.792 7.569 -10.467) 13.778 17.795 ( -12.141 -7.775 2.216) 14.587 22.057 ( 34.608 6.294 19.074) 40.014 ======================= Grid point 58 (46/891) ======================= q-point: (-0.24 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.888 ( -43.018 -27.155 -13.653) 52.672 7.945 ( -59.235 6.449 -8.728) 60.221 9.055 ( -23.146 10.107 6.098) 25.982 11.061 ( -36.544 -12.876 15.659) 41.790 12.124 ( -5.588 -6.015 -6.010) 10.174 12.455 ( -41.377 -20.974 -3.890) 46.552 13.200 ( -13.329 23.784 -1.002) 27.283 14.749 ( -6.433 -19.333 1.390) 20.423 15.702 ( 15.065 -0.203 -1.625) 15.154 17.597 ( 4.875 5.773 -13.110) 15.132 17.757 ( 11.651 3.460 0.953) 12.191 22.730 ( 30.415 5.715 16.828) 35.227 ======================= Grid point 59 (47/891) ======================= q-point: (-0.19 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.824 ( -47.401 -22.824 -12.318) 54.032 6.903 ( -64.338 2.002 -7.451) 64.799 8.785 ( -20.225 5.942 4.033) 21.462 10.128 ( -62.493 -14.959 10.920) 65.179 11.452 ( -41.275 -14.785 -2.024) 43.890 12.115 ( 1.013 -4.091 -5.434) 6.877 13.182 ( -15.524 23.101 -1.509) 27.873 14.394 ( -9.154 -23.830 0.538) 25.534 15.668 ( -15.786 -3.351 -1.561) 16.213 17.930 ( 19.231 1.389 21.792) 29.097 18.114 ( 32.546 11.796 -28.836) 45.055 23.312 ( 26.037 4.662 12.924) 29.440 ======================= Grid point 60 (48/891) ======================= q-point: (-0.14 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.774 ( -49.603 -14.417 -8.373) 52.330 5.768 ( -67.117 -0.454 -4.922) 67.299 8.512 ( -17.778 1.933 2.805) 18.102 8.773 ( -82.322 -10.922 3.940) 83.137 10.682 ( -36.663 -7.526 0.321) 37.429 12.102 ( 1.808 -1.377 -3.200) 3.925 13.109 ( -15.972 16.607 -0.650) 23.050 14.005 ( -9.934 -20.637 -0.815) 22.917 15.232 ( -28.861 -0.723 -1.817) 28.927 18.248 ( 13.601 1.074 7.434) 15.537 18.888 ( 48.481 6.960 -9.645) 49.919 23.789 ( 21.582 2.854 7.343) 22.975 ======================= Grid point 61 (49/891) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( -49.199 -0.000 0.000) 49.199 4.601 ( -68.114 -0.000 0.000) 68.114 7.205 ( -94.498 -0.000 0.000) 94.498 8.255 ( -14.127 -0.000 0.000) 14.127 10.042 ( -34.513 -0.000 0.000) 34.513 12.119 ( 1.512 0.000 -0.000) 1.512 12.940 ( -13.636 -0.000 0.000) 13.636 13.684 ( -14.756 -0.000 0.000) 14.756 14.741 ( -26.574 -0.000 0.000) 26.574 18.483 ( 11.948 0.000 -0.000) 11.948 19.723 ( 46.077 0.000 -0.000) 46.077 24.145 ( 17.030 0.000 -0.000) 17.030 ======================= Grid point 66 (50/891) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( -0.000 42.034 28.298) 50.672 3.570 ( -0.000 60.012 -4.860) 60.209 6.714 ( -0.000 100.964 17.920) 102.542 8.076 ( 0.000 10.618 -2.514) 10.912 9.609 ( 0.000 36.599 -14.609) 39.407 12.267 ( -0.000 -7.847 15.201) 17.107 12.533 ( 0.000 0.540 -2.274) 2.337 13.807 ( 0.000 38.598 -5.386) 38.972 14.332 ( -0.000 8.843 0.831) 8.882 18.274 ( 0.000 -12.887 -27.272) 30.163 20.217 ( -0.000 -35.703 12.395) 37.793 24.361 ( 0.000 -10.374 -5.532) 11.756 ======================= Grid point 67 (51/891) ======================= q-point: ( 0.19 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.352 ( 7.443 42.249 27.083) 50.733 4.445 ( 32.482 55.749 -4.201) 64.658 7.813 ( 8.476 87.936 11.324) 89.066 8.264 ( 9.258 19.399 1.175) 21.527 9.985 ( 7.377 36.321 -14.226) 39.699 12.226 ( -0.882 -5.801 10.407) 11.948 12.698 ( 17.988 -0.873 -0.738) 18.025 13.970 ( -14.594 28.434 -2.975) 32.099 14.663 ( 18.380 19.914 -0.344) 27.102 18.013 ( -2.643 -16.046 -28.974) 33.226 19.844 ( -6.642 -39.073 19.386) 44.120 24.128 ( -11.715 -11.335 -8.141) 18.221 ======================= Grid point 68 (52/891) ======================= q-point: ( 0.24 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.081 ( 20.412 38.646 26.682) 51.206 5.615 ( 42.536 51.757 -3.727) 67.097 8.396 ( 7.229 23.432 -7.092) 25.526 9.122 ( 19.105 75.829 14.115) 79.463 10.476 ( 16.024 33.208 -12.853) 39.048 12.198 ( 0.072 -5.190 8.130) 9.646 13.066 ( 23.629 2.013 -1.392) 23.755 13.974 ( -10.458 19.657 -1.167) 22.297 15.190 ( 17.238 21.701 -1.063) 27.735 17.685 ( -4.176 -18.600 -27.332) 33.323 19.376 ( -12.240 -37.440 25.084) 46.699 23.705 ( -19.733 -12.409 -12.271) 26.343 ======================= Grid point 69 (53/891) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.956 ( 29.570 33.779 24.707) 51.243 6.834 ( 42.862 49.448 -3.330) 65.523 8.724 ( 8.075 23.178 -8.647) 26.023 10.146 ( 14.632 60.956 6.702) 63.045 11.136 ( 29.207 32.956 -8.784) 44.903 12.181 ( 1.016 -4.988 6.890) 8.567 13.472 ( 13.499 13.623 -2.628) 19.357 14.024 ( 2.497 7.297 -0.765) 7.750 15.592 ( 9.650 10.689 -2.766) 14.664 17.371 ( -1.389 -15.496 -20.471) 25.713 18.894 ( -15.131 -29.836 27.975) 43.609 23.146 ( -24.446 -14.625 -16.221) 32.781 ======================= Grid point 70 (54/891) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.887 ( 34.128 28.387 21.658) 49.392 7.992 ( 37.958 47.361 -3.462) 60.794 9.066 ( 5.967 28.493 -9.600) 30.653 10.829 ( 9.434 37.612 -1.917) 38.824 12.024 ( 36.655 30.231 -6.665) 47.978 12.190 ( 2.795 -1.815 6.845) 7.613 13.683 ( -11.559 27.187 -2.137) 29.620 14.255 ( 23.926 -6.448 -1.980) 24.859 15.657 ( -1.001 -8.412 -1.747) 8.650 17.263 ( 6.323 -3.976 -12.569) 14.620 18.496 ( -14.249 -17.925 28.256) 36.369 22.489 ( -26.791 -18.068 -19.025) 37.499 ======================= Grid point 71 (55/891) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.793 ( 34.501 22.522 17.982) 44.954 8.993 ( 27.818 41.606 -4.750) 50.274 9.435 ( 4.862 37.075 -9.251) 38.519 11.246 ( 7.332 22.234 -5.142) 23.970 12.214 ( 4.387 -3.018 0.400) 5.340 12.845 ( 26.431 17.442 -8.978) 32.915 13.691 ( -15.328 28.806 1.456) 32.663 14.583 ( 20.022 -8.193 -0.912) 21.653 15.553 ( 5.855 -11.114 7.630) 14.698 17.335 ( 5.985 0.308 -10.702) 12.266 18.279 ( -8.239 -4.955 25.837) 27.567 21.762 ( -27.359 -22.425 -20.052) 40.663 ======================= Grid point 72 (56/891) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.597 ( 30.558 16.462 13.694) 37.314 9.608 ( 6.163 33.338 -7.414) 34.704 9.991 ( 14.179 43.440 -6.949) 46.221 11.501 ( 4.778 13.290 -4.776) 14.908 12.253 ( 2.601 -0.824 -5.233) 5.901 13.055 ( -3.532 0.637 -11.092) 11.659 13.860 ( -2.635 28.748 1.856) 28.928 14.712 ( 8.914 -14.320 6.971) 18.252 15.829 ( 26.233 1.948 12.885) 29.291 17.378 ( 2.169 3.260 -8.271) 9.151 18.274 ( -0.462 1.196 18.395) 18.440 20.993 ( -26.496 -27.156 -18.872) 42.375 ======================= Grid point 73 (57/891) ======================= q-point: ( 0.48 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.220 ( 21.692 11.034 8.645) 25.827 9.970 ( 2.083 33.659 -5.619) 34.188 10.531 ( 6.711 30.835 -8.014) 32.559 11.660 ( 1.554 11.684 -2.557) 12.062 12.239 ( -2.070 3.050 -8.871) 9.606 12.916 ( -8.475 3.072 -3.939) 9.838 14.023 ( -6.439 20.399 -2.847) 21.580 14.709 ( 6.503 -19.072 10.229) 22.598 16.413 ( 24.296 11.471 12.311) 29.554 17.490 ( 9.757 7.208 -3.450) 12.612 18.362 ( 4.069 -0.544 10.440) 11.218 20.212 ( -24.501 -31.359 -15.377) 42.663 ======================= Grid point 74 (58/891) ======================= q-point: ( 0.52 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.589 ( 9.003 6.317 3.299) 11.482 10.304 ( 1.327 29.445 -5.311) 29.950 10.750 ( -3.132 15.600 -4.027) 16.413 11.779 ( -2.241 14.246 -0.482) 14.429 12.226 ( -3.488 10.520 -7.014) 13.117 12.826 ( -7.983 8.415 -1.426) 11.687 14.068 ( -4.599 12.917 -5.620) 14.818 14.619 ( 1.694 -19.257 7.594) 20.769 16.803 ( -0.535 19.205 1.883) 19.305 17.860 ( 22.373 2.928 8.653) 24.166 18.502 ( 15.221 -3.387 5.006) 16.377 19.456 ( -21.457 -33.065 -10.170) 40.708 ======================= Grid point 75 (59/891) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.666 ( -3.844 -0.269 -1.458) 4.120 10.424 ( -14.139 19.647 -10.519) 26.393 10.886 ( 1.016 17.927 9.737) 20.426 11.837 ( -4.892 9.758 0.290) 10.919 12.261 ( -5.342 14.557 -4.641) 16.186 12.796 ( -6.710 11.881 -1.052) 13.685 14.109 ( 1.386 5.712 -7.433) 9.476 14.455 ( -2.730 -14.229 1.630) 14.580 16.826 ( -16.076 17.943 -6.491) 24.950 18.086 ( 1.195 -7.055 10.018) 12.311 18.768 ( -10.040 -30.359 -3.940) 32.218 19.040 ( 36.385 1.179 8.438) 37.369 ======================= Grid point 76 (60/891) ======================= q-point: (-0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.445 ( -15.322 -9.086 -5.371) 18.606 10.252 ( -23.527 20.400 -6.168) 31.745 11.031 ( -16.261 21.298 9.951) 28.584 11.829 ( -2.055 1.158 3.201) 3.976 12.329 ( 0.342 12.441 0.811) 12.472 12.818 ( -2.296 9.610 -2.886) 10.294 14.158 ( 1.981 0.857 -6.179) 6.545 14.289 ( -2.823 -6.060 -7.195) 9.821 16.578 ( -23.600 5.858 -8.541) 25.773 17.896 ( -12.247 -12.712 7.124) 19.035 18.373 ( -5.230 -16.322 -2.537) 17.326 19.849 ( 46.337 2.185 14.295) 48.541 ======================= Grid point 77 (61/891) ======================= q-point: (-0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.945 ( -25.808 -15.873 -7.955) 31.326 10.005 ( -28.256 21.648 -3.592) 35.776 10.760 ( -40.666 20.467 5.518) 45.860 11.808 ( -1.752 -3.122 6.120) 7.090 12.443 ( -1.389 -1.399 6.908) 7.184 12.977 ( 13.359 12.563 -2.282) 18.480 14.093 ( -9.123 -1.368 -2.154) 9.473 14.230 ( 4.046 0.580 -15.775) 16.296 16.109 ( -25.249 -8.960 -5.529) 27.356 17.619 ( -10.143 -3.871 2.496) 11.140 18.156 ( -6.483 -9.971 -1.657) 12.008 20.702 ( 44.804 2.589 15.310) 47.419 ======================= Grid point 78 (62/891) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.226 ( -34.971 -18.204 -8.887) 40.414 9.653 ( -36.329 17.349 -5.225) 40.597 10.189 ( -46.294 16.291 5.655) 49.401 11.735 ( -7.028 -3.422 9.480) 12.287 12.291 ( -7.360 -10.341 -0.822) 12.719 13.392 ( 10.427 16.453 6.641) 20.580 13.745 ( -24.577 -8.600 -6.340) 26.799 14.374 ( 15.339 5.270 -11.016) 19.606 15.590 ( -17.519 -15.035 -2.565) 23.229 17.518 ( -1.768 3.878 -3.335) 5.411 17.922 ( -10.513 -7.261 -0.377) 12.782 21.512 ( 41.231 2.866 13.979) 43.631 ======================= Grid point 79 (63/891) ======================= q-point: (-0.24 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.365 ( -42.281 -16.299 -8.134) 46.038 8.986 ( -54.834 9.288 -5.980) 55.935 9.662 ( -33.831 11.843 5.360) 36.243 11.501 ( -21.232 -5.845 11.223) 24.717 12.094 ( -2.613 -6.575 -5.315) 8.849 13.002 ( -41.097 -15.856 -1.752) 44.084 13.662 ( -8.831 28.037 -0.655) 29.402 14.593 ( 5.882 -14.415 -0.012) 15.569 15.380 ( 12.947 -5.101 -2.904) 14.216 17.584 ( 3.264 9.021 -16.124) 18.762 17.696 ( -5.911 -6.781 9.976) 13.433 22.246 ( 36.787 2.711 10.835) 38.445 ======================= Grid point 80 (64/891) ======================= q-point: (-0.19 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.442 ( -47.429 -10.359 -5.382) 48.844 8.010 ( -63.664 3.377 -3.411) 63.845 9.253 ( -26.745 5.350 2.450) 27.385 10.950 ( -41.292 -5.404 6.435) 42.138 12.021 ( -9.854 -1.031 -2.070) 10.122 12.106 ( -36.071 -10.430 -2.716) 37.646 13.705 ( -17.163 26.133 -1.352) 31.294 14.315 ( -8.209 -24.219 1.516) 25.617 15.681 ( 12.964 -0.664 -0.366) 12.986 17.637 ( 11.657 2.817 -3.260) 12.428 17.806 ( 11.992 1.563 -1.154) 12.148 22.882 ( 31.922 1.835 6.131) 32.557 ======================= Grid point 81 (65/891) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.545 ( -50.074 -0.000 0.000) 50.074 6.904 ( -66.841 -0.000 0.000) 66.841 8.867 ( -22.133 -0.000 0.000) 22.133 10.011 ( -66.321 -0.000 0.000) 66.321 11.290 ( -40.244 -0.000 0.000) 40.244 12.056 ( 2.020 0.000 -0.000) 2.020 13.524 ( -20.153 -0.000 0.000) 20.153 14.037 ( -7.868 -0.000 0.000) 7.868 15.631 ( -16.449 -0.000 0.000) 16.449 18.032 ( 13.700 0.000 -0.000) 13.700 18.122 ( 40.618 0.000 -0.000) 40.618 23.403 ( 26.833 0.000 -0.000) 26.833 ======================= Grid point 88 (66/891) ======================= q-point: ( 0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.829 ( -0.000 45.449 21.948) 50.471 4.693 ( -0.000 57.367 -4.155) 57.518 8.293 ( 0.000 12.850 -1.989) 13.003 8.737 ( -0.000 93.116 15.559) 94.407 10.248 ( 0.000 38.265 -16.189) 41.548 12.210 ( -0.000 -6.794 10.777) 12.740 12.516 ( 0.000 -0.297 -3.355) 3.368 14.545 ( -0.000 11.758 1.902) 11.911 14.546 ( 0.000 39.653 -6.228) 40.139 17.758 ( 0.000 -20.159 -29.638) 35.844 19.575 ( -0.000 -40.161 21.806) 45.699 24.084 ( 0.000 -13.642 -7.005) 15.336 ======================= Grid point 89 (67/891) ======================= q-point: ( 0.24 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.375 ( 4.693 44.975 21.092) 49.897 5.494 ( 28.190 53.869 -4.522) 60.967 8.463 ( 5.207 15.756 -2.783) 16.826 9.742 ( 7.681 84.270 14.192) 85.801 10.601 ( 4.808 36.609 -17.216) 40.739 12.175 ( -0.319 -5.570 8.415) 10.097 12.662 ( 18.197 -1.334 -3.009) 18.492 14.454 ( -16.893 22.024 -0.608) 27.763 15.121 ( 16.441 26.531 -3.546) 31.413 17.431 ( -1.264 -23.791 -26.835) 35.885 19.226 ( -4.628 -37.313 23.688) 44.439 23.814 ( -11.800 -14.978 -8.539) 20.893 ======================= Grid point 90 (68/891) ======================= q-point: ( 0.29 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.033 ( 14.328 41.303 21.464) 48.703 6.579 ( 39.864 49.430 -5.888) 63.774 8.760 ( 10.227 20.233 -4.538) 23.121 10.644 ( 3.611 62.133 9.591) 62.972 11.066 ( 16.227 40.499 -15.597) 46.332 12.152 ( 0.106 -3.980 7.763) 8.724 13.047 ( 28.800 -1.313 -3.694) 29.066 14.392 ( -16.069 22.294 -0.605) 27.488 15.540 ( 8.725 13.832 -4.237) 16.894 17.119 ( 2.012 -20.769 -19.652) 28.664 18.869 ( -7.227 -29.946 24.083) 39.102 23.345 ( -20.938 -16.351 -11.120) 28.800 ======================= Grid point 91 (69/891) ======================= q-point: ( 0.33 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.797 ( 21.916 35.932 20.389) 46.767 7.726 ( 42.088 44.545 -7.532) 61.745 9.166 ( 11.937 27.242 -6.335) 30.409 11.120 ( 0.642 34.150 -2.059) 34.218 11.798 ( 21.580 32.964 -10.642) 40.812 12.194 ( 3.058 8.934 10.360) 14.018 13.555 ( 32.625 -0.301 -4.390) 32.920 14.326 ( -16.784 20.785 -0.619) 26.723 15.600 ( -2.760 -7.678 -3.258) 8.785 17.037 ( 9.854 -5.896 -11.544) 16.283 18.576 ( -7.434 -19.623 23.566) 31.555 22.721 ( -27.073 -18.598 -13.686) 35.583 ======================= Grid point 92 (70/891) ======================= q-point: ( 0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.596 ( 25.824 29.790 17.894) 43.296 8.786 ( 37.319 37.208 -9.978) 53.635 9.651 ( 10.608 37.044 -7.609) 39.277 11.403 ( 1.185 23.054 -3.497) 23.348 12.077 ( 7.816 -3.287 -4.158) 9.443 12.667 ( 15.825 28.228 -0.989) 32.376 14.081 ( 29.266 -5.983 -3.308) 30.054 14.243 ( -15.260 26.680 1.087) 30.755 15.409 ( -2.299 -14.528 3.648) 15.155 17.176 ( 10.069 2.080 -8.782) 13.521 18.404 ( -5.129 -9.294 22.353) 24.746 21.980 ( -30.469 -21.994 -15.492) 40.646 ======================= Grid point 93 (71/891) ======================= q-point: ( 0.43 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.356 ( 25.948 23.341 14.418) 37.762 9.612 ( 25.466 29.022 -12.614) 40.619 10.191 ( 8.989 42.401 -8.571) 44.183 11.603 ( 1.115 16.552 -1.871) 16.695 12.163 ( 6.654 0.301 -5.312) 8.519 13.007 ( 4.507 6.174 -7.085) 10.423 14.162 ( 1.108 1.704 6.380) 6.696 14.573 ( 3.836 21.882 -0.565) 22.222 15.414 ( 19.140 -9.226 8.675) 22.950 17.321 ( 6.023 5.170 -7.312) 10.792 18.359 ( -1.952 -3.143 19.120) 19.475 21.161 ( -31.304 -26.417 -15.934) 43.951 ======================= Grid point 94 (72/891) ======================= q-point: ( 0.48 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.010 ( 22.156 16.827 10.133) 29.609 10.164 ( 12.485 28.936 -13.027) 34.101 10.648 ( 5.573 27.747 -8.969) 29.689 11.768 ( 1.406 13.471 -0.471) 13.552 12.283 ( 3.180 12.466 -8.277) 15.298 12.985 ( -3.185 -1.970 -3.352) 5.026 14.274 ( 7.634 -2.187 7.543) 10.953 14.642 ( -14.766 16.403 2.526) 22.214 15.948 ( 38.991 2.533 8.556) 39.999 17.449 ( 4.255 8.208 -5.192) 10.604 18.372 ( -0.565 -2.529 14.248) 14.482 20.305 ( -29.545 -31.354 -14.501) 45.457 ======================= Grid point 95 (73/891) ======================= q-point: ( 0.52 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.482 ( 14.045 10.055 5.038) 17.993 10.547 ( 4.202 29.435 -12.470) 32.242 10.862 ( 1.310 11.461 -3.456) 12.042 11.888 ( 0.604 7.075 -1.701) 7.301 12.459 ( -2.566 26.287 -7.950) 27.583 12.924 ( -0.982 -0.247 -0.820) 1.303 14.394 ( 3.745 1.515 6.713) 7.835 14.489 ( -17.692 8.780 1.445) 19.804 16.697 ( 34.484 10.763 6.646) 36.731 17.610 ( 8.823 5.812 -1.069) 10.620 18.372 ( 0.358 -5.015 9.160) 10.449 19.466 ( -24.719 -35.207 -10.852) 44.366 ======================= Grid point 96 (74/891) ======================= q-point: ( 0.57 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.693 ( 1.964 2.604 -0.235) 3.270 10.775 ( -4.911 24.217 -12.926) 27.887 11.002 ( 3.775 12.251 8.152) 15.192 11.918 ( -0.675 1.418 -2.527) 2.975 12.613 ( -7.910 26.099 -6.203) 27.968 12.935 ( -0.029 3.124 -0.951) 3.266 14.235 ( -17.852 4.476 -5.739) 19.278 14.487 ( -0.923 7.464 7.400) 10.551 17.176 ( -1.502 19.440 -4.673) 20.050 17.902 ( 20.483 -7.210 11.289) 24.474 18.387 ( 10.658 -13.322 3.484) 17.413 18.779 ( -9.936 -26.978 -4.013) 29.029 ======================= Grid point 97 (75/891) ======================= q-point: (-0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.595 ( -11.210 -4.374 -3.903) 12.650 10.793 ( -15.872 24.459 -7.836) 30.192 11.274 ( 7.372 12.157 15.176) 20.796 11.894 ( -1.624 0.108 -2.909) 3.334 12.652 ( -11.644 20.905 -5.044) 24.455 12.920 ( -6.413 2.246 -1.582) 6.977 13.978 ( -5.331 -7.398 -11.032) 14.313 14.560 ( -8.630 19.527 4.402) 21.798 17.008 ( -25.109 1.928 -7.853) 26.378 17.952 ( -4.184 -12.138 8.312) 15.294 18.234 ( 0.332 -18.247 -2.018) 18.362 19.093 ( 45.440 -2.265 9.764) 46.533 ======================= Grid point 98 (76/891) ======================= q-point: (-0.33 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.221 ( -22.700 -8.703 -5.316) 24.886 10.665 ( -24.465 23.325 -5.051) 34.178 11.483 ( -10.260 13.901 19.525) 26.071 11.843 ( -3.962 1.327 -1.417) 4.412 12.610 ( -17.203 12.541 0.857) 21.306 12.794 ( 7.220 -5.785 -10.408) 13.925 13.865 ( 6.132 -11.922 -11.228) 17.487 14.603 ( -14.196 26.638 1.624) 30.228 16.431 ( -28.588 -16.924 -3.728) 33.430 17.761 ( -9.330 -3.494 2.831) 10.357 18.115 ( -0.464 -9.028 -1.367) 9.142 19.947 ( 49.933 -0.620 10.934) 51.120 ======================= Grid point 99 (77/891) ======================= q-point: (-0.29 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.642 ( -32.082 -9.524 -5.081) 33.849 10.375 ( -31.248 16.450 -3.703) 35.507 11.187 ( -45.074 16.436 8.980) 48.810 11.821 ( -2.053 1.153 6.393) 6.813 12.324 ( -10.995 -11.369 -3.539) 16.207 13.127 ( 28.664 5.129 -1.886) 29.180 13.782 ( -1.138 -11.538 -9.306) 14.867 14.617 ( -16.056 28.752 -0.405) 32.934 15.757 ( -24.521 -23.681 -0.828) 34.100 17.613 ( -6.778 1.362 -0.354) 6.923 17.994 ( -5.363 -5.436 -0.962) 7.696 20.811 ( 47.354 0.432 8.887) 48.183 ======================= Grid point 100 (78/891) ======================= q-point: (-0.24 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.934 ( -39.488 -6.665 -3.397) 40.190 9.875 ( -41.223 7.110 -2.766) 41.923 10.493 ( -49.230 8.699 3.591) 50.121 11.770 ( -10.631 0.807 7.548) 13.063 12.063 ( -4.315 -8.101 -5.423) 10.661 13.440 ( -22.168 -7.818 2.715) 23.662 13.731 ( 27.341 7.511 -5.597) 28.901 14.593 ( -16.177 15.858 -0.579) 22.660 15.227 ( -7.397 -17.741 -0.485) 19.227 17.570 ( 0.053 2.632 -2.394) 3.558 17.820 ( -9.722 -2.942 0.452) 10.168 21.611 ( 42.899 0.717 5.096) 43.206 ======================= Grid point 101 (79/891) ======================= q-point: (-0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.173 ( -44.742 -0.000 0.000) 44.742 9.062 ( -56.968 -0.000 0.000) 56.968 9.813 ( -35.898 -0.000 0.000) 35.898 11.481 ( -24.133 -0.000 0.000) 24.133 12.003 ( 0.679 0.000 -0.000) 0.679 12.825 ( -42.570 -0.000 0.000) 42.570 14.132 ( 9.355 0.000 -0.000) 9.355 14.263 ( -23.283 -0.000 0.000) 23.283 15.316 ( 22.217 0.000 -0.000) 22.217 17.640 ( -7.951 -0.000 0.000) 7.951 17.645 ( 7.243 0.000 -0.000) 7.243 22.309 ( 37.619 0.000 -0.000) 37.619 ======================= Grid point 110 (80/891) ======================= q-point: ( 0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.864 ( -0.000 46.533 16.150) 49.256 5.761 ( -0.000 53.639 -2.897) 53.717 8.549 ( -0.000 14.259 -1.058) 14.298 10.542 ( -0.000 79.481 11.835) 80.357 10.868 ( 0.000 37.202 -20.390) 42.423 12.155 ( -0.000 -4.582 8.711) 9.843 12.477 ( 0.000 -1.216 -3.694) 3.889 14.809 ( -0.000 13.407 2.372) 13.615 15.236 ( 0.000 33.802 -6.800) 34.480 17.094 ( 0.000 -28.486 -23.144) 36.703 18.990 ( -0.000 -33.106 22.257) 39.893 23.731 ( 0.000 -17.225 -7.745) 18.886 ======================= Grid point 111 (81/891) ======================= q-point: ( 0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.385 ( 3.029 45.004 15.606) 47.729 6.488 ( 24.418 49.832 -3.831) 55.625 8.763 ( 8.299 16.409 -1.274) 18.432 11.132 ( -0.553 33.783 -11.987) 35.850 11.348 ( 5.034 62.901 -3.709) 63.211 12.166 ( -0.030 2.733 10.802) 11.142 12.608 ( 17.790 -1.837 -3.888) 18.303 14.841 ( -11.395 17.479 1.134) 20.896 15.562 ( 4.400 17.756 -5.549) 19.116 16.777 ( 4.158 -24.343 -16.237) 29.555 18.748 ( -2.571 -25.394 20.381) 32.662 23.424 ( -11.808 -18.865 -8.616) 23.865 ======================= Grid point 112 (82/891) ======================= q-point: ( 0.33 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.971 ( 9.916 40.774 16.291) 45.014 7.459 ( 35.731 43.831 -6.504) 56.922 9.151 ( 15.840 22.053 -2.221) 27.243 11.378 ( 0.306 26.365 -13.642) 29.687 11.822 ( 4.275 16.582 -9.146) 19.414 12.399 ( 2.192 35.762 13.533) 38.300 12.982 ( 29.120 -2.290 -4.503) 29.555 14.796 ( -14.555 16.844 0.328) 22.264 15.580 ( -4.624 -7.622 -2.917) 9.380 16.751 ( 13.115 -3.139 -9.096) 16.266 18.556 ( -3.441 -16.152 18.680) 24.933 22.912 ( -21.656 -20.544 -10.130) 31.523 ======================= Grid point 113 (83/891) ======================= q-point: ( 0.38 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.618 ( 15.742 34.898 15.601) 41.341 8.456 ( 37.526 35.176 -9.754) 52.352 9.714 ( 19.925 31.884 -3.489) 37.759 11.571 ( 0.930 19.182 -10.903) 22.084 11.908 ( 4.887 -1.916 -7.424) 9.092 12.847 ( 1.979 33.448 4.244) 33.774 13.484 ( 32.870 -2.990 -3.628) 33.205 14.676 ( -12.579 7.914 2.264) 15.033 15.399 ( -6.649 -3.636 2.408) 7.951 16.986 ( 13.105 6.231 -6.207) 15.783 18.444 ( -2.855 -8.295 17.310) 19.406 22.229 ( -28.934 -22.852 -11.596) 38.651 ======================= Grid point 114 (84/891) ======================= q-point: ( 0.43 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.276 ( 18.810 28.230 13.411) 36.478 9.319 ( 32.923 25.608 -12.882) 43.654 10.381 ( 15.806 40.228 -6.278) 43.675 11.720 ( 1.391 13.403 -5.578) 14.584 11.975 ( 10.357 -2.206 -8.559) 13.616 13.080 ( -2.834 13.841 -0.860) 14.154 13.891 ( 19.077 -10.443 0.477) 21.754 14.718 ( 12.848 8.630 5.650) 16.476 15.314 ( -10.187 11.237 4.048) 15.698 17.237 ( 9.257 9.284 -4.780) 13.955 18.403 ( -1.528 -4.566 15.661) 16.384 21.415 ( -33.460 -26.027 -12.483) 44.190 ======================= Grid point 115 (85/891) ======================= q-point: ( 0.48 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.881 ( 18.611 21.079 10.018) 29.851 9.997 ( 26.418 19.752 -14.730) 36.125 10.871 ( 1.588 30.900 -8.720) 32.146 11.839 ( 1.624 8.222 -2.882) 8.863 12.236 ( 17.040 14.326 -9.069) 24.038 13.055 ( -6.859 1.924 0.329) 7.132 14.000 ( 11.460 -14.692 8.991) 20.689 15.260 ( -19.938 32.567 2.230) 38.251 15.282 ( 39.338 -2.931 4.660) 39.722 17.448 ( 5.303 11.278 -3.785) 13.024 18.390 ( -0.582 -5.110 13.439) 14.389 20.513 ( -34.999 -29.912 -12.314) 47.659 ======================= Grid point 116 (86/891) ======================= q-point: ( 0.52 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.365 ( 14.705 13.296 5.600) 20.600 10.513 ( 19.315 16.248 -14.447) 29.082 11.037 ( -4.436 18.374 -4.483) 19.426 11.923 ( 1.064 6.290 -3.798) 7.425 12.634 ( 8.303 19.825 -9.388) 23.454 12.963 ( -4.879 2.824 -0.311) 5.646 14.154 ( 16.368 -7.706 15.703) 23.956 15.141 ( -24.908 24.746 -0.172) 35.111 16.060 ( 44.232 5.980 4.191) 44.831 17.608 ( 2.228 10.319 -3.301) 11.061 18.362 ( -0.606 -7.316 10.861) 13.109 19.577 ( -32.886 -33.694 -10.593) 48.260 ======================= Grid point 117 (87/891) ======================= q-point: ( 0.57 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.655 ( 6.745 5.286 0.880) 8.614 10.877 ( 10.987 13.807 -7.919) 19.340 11.144 ( -1.144 17.517 -1.801) 17.647 11.950 ( -2.742 3.500 -3.473) 5.641 12.815 ( 5.474 4.432 -2.019) 7.327 12.933 ( -4.505 4.889 -6.640) 9.396 14.496 ( 10.589 15.014 14.880) 23.642 14.882 ( -31.432 21.936 -4.115) 38.550 16.904 ( 45.807 5.371 4.085) 46.301 17.677 ( -1.992 1.937 -3.159) 4.207 18.296 ( -2.049 -8.314 8.010) 11.725 18.718 ( -22.461 -33.412 -6.308) 40.751 ======================= Grid point 118 (88/891) ======================= q-point: (-0.38 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.694 ( -4.390 -0.911 -2.295) 5.037 11.140 ( 2.969 19.009 -0.552) 19.248 11.313 ( 2.177 14.091 0.743) 14.278 11.892 ( -2.521 -1.419 -2.492) 3.818 12.809 ( -6.457 -4.702 -6.786) 10.481 12.989 ( 9.135 4.541 0.512) 10.214 14.400 ( -39.945 16.561 -5.584) 43.601 14.895 ( 0.365 27.418 7.141) 28.335 17.378 ( -23.702 -13.244 -6.703) 27.966 17.661 ( 31.653 -5.381 3.027) 32.249 18.126 ( -5.954 -8.713 3.806) 11.219 18.448 ( 21.779 -11.771 4.329) 25.132 ======================= Grid point 119 (89/891) ======================= q-point: (-0.33 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.483 ( -16.187 -3.769 -3.052) 16.898 11.230 ( -16.931 22.881 -8.753) 29.779 11.561 ( 11.594 5.528 22.007) 25.481 11.872 ( 2.227 0.909 -5.103) 5.642 12.604 ( -2.212 -13.911 -8.708) 16.560 13.155 ( -6.667 15.656 1.038) 17.048 13.814 ( -28.428 -3.049 -8.265) 29.762 15.125 ( -10.697 33.092 3.262) 34.931 16.683 ( -26.729 -28.791 -2.631) 39.374 17.866 ( -2.103 1.410 0.136) 2.535 18.016 ( 0.609 -6.528 0.645) 6.588 19.091 ( 50.917 -3.185 6.834) 51.472 ======================= Grid point 120 (90/891) ======================= q-point: (-0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.071 ( -26.409 -3.430 -2.128) 26.716 10.997 ( -26.602 10.982 -3.671) 29.013 11.832 ( -4.094 4.943 23.116) 23.991 11.889 ( -1.376 5.738 -3.049) 6.642 12.430 ( -5.027 -12.211 -15.164) 20.108 12.905 ( -19.005 9.644 -0.869) 21.330 13.608 ( 7.658 -7.877 -3.282) 11.466 15.213 ( -16.428 31.660 0.593) 35.673 15.936 ( -26.937 -28.833 -0.449) 39.461 17.758 ( -8.726 0.509 0.471) 8.753 17.993 ( 0.173 -2.782 -0.770) 2.891 19.982 ( 52.130 -0.669 4.151) 52.299 ======================= Grid point 121 (91/891) ======================= q-point: (-0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.528 ( -34.201 -0.000 0.000) 34.201 10.533 ( -33.175 -0.000 0.000) 33.175 11.410 ( -47.143 -0.000 0.000) 47.143 11.941 ( -4.407 -0.000 0.000) 4.407 12.078 ( -9.015 -0.000 0.000) 9.015 13.171 ( 32.376 0.000 -0.000) 32.376 13.626 ( -3.266 -0.000 0.000) 3.266 15.202 ( -31.379 -0.000 0.000) 31.379 15.223 ( -10.612 -0.000 0.000) 10.612 17.630 ( -5.987 -0.000 0.000) 5.987 17.937 ( -5.171 -0.000 0.000) 5.171 20.845 ( 48.304 0.000 -0.000) 48.304 ======================= Grid point 132 (92/891) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.858 ( -0.000 45.044 10.927) 46.350 6.748 ( -0.000 47.980 -1.348) 47.999 8.836 ( -0.000 15.402 -0.033) 15.402 11.389 ( 0.000 30.579 -21.160) 37.187 11.769 ( 0.000 25.160 -7.210) 26.172 12.376 ( -0.000 34.802 16.355) 38.453 12.418 ( 0.000 -2.477 -3.346) 4.163 15.091 ( -0.000 13.513 2.139) 13.681 15.655 ( 0.000 3.442 -4.335) 5.536 16.476 ( 0.000 -11.851 -11.277) 16.359 18.618 ( -0.000 -17.642 17.040) 24.527 23.302 ( 0.000 -21.106 -8.067) 22.595 ======================= Grid point 133 (93/891) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.334 ( 1.880 42.240 10.558) 43.580 7.380 ( 20.514 42.736 -2.726) 47.483 9.095 ( 11.741 18.030 0.097) 21.516 11.576 ( -1.255 23.830 -21.272) 31.968 11.856 ( -0.247 4.306 -7.656) 8.788 12.536 ( 17.576 -2.651 -4.343) 18.298 12.845 ( -0.310 43.895 11.882) 45.476 15.121 ( -10.887 5.093 1.212) 12.080 15.526 ( 0.195 -15.984 0.668) 15.999 16.563 ( 8.749 14.227 -6.441) 17.901 18.525 ( -1.467 -9.299 14.467) 17.260 22.956 ( -11.792 -22.981 -8.535) 27.203 ======================= Grid point 134 (94/891) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.833 ( 6.644 37.089 11.312) 39.341 8.187 ( 29.776 34.115 -6.298) 45.718 9.604 ( 23.353 24.972 -0.038) 34.190 11.675 ( 0.240 12.271 -18.685) 22.355 11.854 ( -1.163 4.330 -7.764) 8.966 12.883 ( 26.278 -2.209 -7.318) 27.368 13.232 ( -1.026 29.578 8.193) 30.709 14.817 ( -11.414 -20.048 3.876) 23.393 15.531 ( 0.209 10.356 3.689) 10.995 16.880 ( 9.375 19.135 -3.232) 21.552 18.479 ( -2.378 -3.220 12.603) 13.223 22.401 ( -22.078 -24.888 -9.344) 34.557 ======================= Grid point 135 (95/891) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.355 ( 10.959 30.574 10.744) 34.210 8.969 ( 31.103 23.979 -9.827) 40.484 10.352 ( 28.717 33.835 -1.226) 44.396 11.722 ( 5.513 1.758 -15.003) 16.080 11.860 ( -1.683 7.254 -7.733) 10.736 13.212 ( 9.730 2.651 -8.185) 12.989 13.494 ( 11.774 5.014 7.573) 14.870 14.523 ( 1.430 -20.081 6.680) 21.211 15.689 ( -3.838 23.751 4.018) 24.392 17.207 ( 7.187 19.557 -1.229) 20.872 18.454 ( -3.050 -1.253 11.133) 11.611 21.666 ( -30.135 -27.176 -10.023) 41.799 ======================= Grid point 136 (96/891) ======================= q-point: ( 0.48 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.861 ( 13.092 23.225 8.588) 28.010 9.643 ( 29.248 16.316 -11.828) 35.518 11.054 ( 10.708 29.240 -6.424) 31.795 11.890 ( -0.030 8.709 -5.855) 10.495 11.935 ( 24.190 7.486 -9.753) 27.135 13.206 ( -6.436 0.267 -1.817) 6.693 13.711 ( 10.756 -10.380 9.302) 17.606 14.622 ( 27.794 -13.444 3.168) 31.037 15.874 ( -9.176 33.268 3.367) 34.674 17.488 ( 4.167 18.271 -0.551) 18.748 18.414 ( -3.437 -3.326 9.904) 10.999 20.790 ( -35.442 -29.846 -10.173) 47.438 ======================= Grid point 137 (97/891) ======================= q-point: ( 0.52 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.292 ( 12.221 15.072 5.121) 20.068 10.208 ( 25.895 11.569 -11.099) 30.456 11.244 ( -2.939 12.627 -6.840) 14.658 11.968 ( 1.124 10.002 -4.910) 11.198 12.529 ( 20.559 17.216 -9.050) 28.301 13.088 ( -4.986 2.373 -3.237) 6.400 13.835 ( 16.541 -9.713 20.004) 27.715 15.087 ( 35.742 -11.353 -0.767) 37.509 16.054 ( -11.521 38.834 2.614) 40.592 17.692 ( 0.806 14.665 -1.329) 14.747 18.335 ( -2.998 -8.009 8.804) 12.273 19.829 ( -37.201 -32.012 -9.294) 49.951 ======================= Grid point 138 (98/891) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.588 ( 8.223 6.999 1.372) 10.885 10.684 ( 21.456 9.816 -6.059) 24.360 11.288 ( -0.949 9.504 -4.802) 10.690 12.062 ( -2.419 11.313 -4.717) 12.493 12.697 ( 3.321 -5.597 0.069) 6.509 13.050 ( -5.715 3.886 -9.130) 11.451 14.365 ( 29.948 16.517 18.842) 39.048 15.434 ( 5.419 3.903 -2.944) 7.298 16.345 ( 12.039 22.360 2.925) 25.563 17.777 ( -3.619 7.705 -3.971) 9.393 18.220 ( -0.941 -13.460 7.308) 15.344 18.884 ( -33.151 -29.050 -6.064) 44.494 ======================= Grid point 139 (99/891) ======================= q-point: ( 0.62 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.713 ( 1.480 1.298 -0.949) 2.185 11.100 ( 16.618 10.154 3.905) 19.862 11.382 ( 3.863 8.932 -8.170) 12.706 12.015 ( -10.778 4.897 -2.621) 12.125 12.780 ( 12.167 -3.293 0.190) 12.607 12.878 ( -9.432 -5.492 -3.669) 11.515 15.038 ( 9.353 19.435 6.402) 22.499 15.338 ( -26.445 33.030 0.642) 42.317 16.834 ( 31.739 -19.290 2.414) 37.220 17.661 ( -8.528 3.055 -9.156) 12.880 18.108 ( 4.401 -16.702 4.750) 17.914 18.247 ( -15.534 -8.570 2.022) 17.856 ======================= Grid point 140 (100/891) ======================= q-point: (-0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.658 ( -7.684 -0.853 -1.204) 7.825 11.470 ( 11.954 3.980 18.420) 22.316 11.528 ( 5.158 14.779 -18.135) 23.956 11.839 ( -7.960 -2.927 -0.266) 8.486 12.592 ( -12.154 -8.513 -3.009) 15.141 13.041 ( 16.782 0.752 0.598) 16.809 14.629 ( -48.941 7.427 -3.079) 49.597 15.627 ( -6.592 38.815 4.813) 39.664 16.651 ( -6.941 -40.774 -2.267) 41.423 17.843 ( 6.996 10.956 -4.301) 13.692 18.050 ( -7.152 -2.471 2.295) 7.907 18.269 ( 37.843 -8.781 4.392) 39.096 ======================= Grid point 141 (101/891) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.432 ( -17.830 -0.000 0.000) 17.830 11.430 ( -17.398 -0.000 0.000) 17.398 11.811 ( 10.106 0.000 -0.000) 10.106 11.823 ( 10.868 0.000 -0.000) 10.868 12.343 ( -7.393 -0.000 0.000) 7.393 13.336 ( 15.871 0.000 -0.000) 15.871 13.745 ( -55.031 -0.000 0.000) 55.031 15.680 ( -13.869 -0.000 0.000) 13.869 16.160 ( -20.951 -0.000 0.000) 20.951 17.910 ( -8.270 -0.000 0.000) 8.270 17.942 ( 3.321 0.000 -0.000) 3.321 19.079 ( 53.406 0.000 -0.000) 53.406 ======================= Grid point 154 (102/891) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.762 ( -0.000 40.661 6.265) 41.141 7.603 ( -0.000 38.847 -0.005) 38.847 9.160 ( -0.000 17.604 0.908) 17.627 11.691 ( 0.000 8.597 -17.596) 19.584 11.911 ( 0.000 14.586 -15.392) 21.205 12.331 ( 0.000 -4.396 -2.715) 5.167 13.277 ( -0.000 34.501 7.824) 35.377 15.181 ( -0.000 -38.509 5.276) 38.869 15.358 ( -0.000 12.168 1.491) 12.259 16.717 ( -0.000 31.050 -2.746) 31.171 18.525 ( -0.000 -2.317 11.315) 11.549 22.793 ( 0.000 -25.221 -8.183) 26.515 ======================= Grid point 155 (103/891) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.166 ( 1.005 36.341 6.034) 36.852 8.100 ( 16.223 31.359 -1.804) 35.353 9.482 ( 15.762 21.183 1.280) 26.435 11.665 ( -0.134 -0.577 -13.720) 13.733 11.974 ( -4.141 15.695 -16.965) 23.479 12.445 ( 17.854 -2.972 -5.901) 19.038 13.548 ( -2.611 20.146 5.178) 20.965 14.737 ( -8.321 -34.406 8.159) 36.326 15.557 ( 7.745 10.153 2.372) 12.988 17.067 ( 1.240 36.025 0.859) 36.057 18.547 ( -1.719 2.171 9.073) 9.486 22.407 ( -11.771 -27.204 -8.408) 30.811 ======================= Grid point 156 (104/891) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.558 ( 4.268 30.110 6.798) 31.162 8.698 ( 23.658 21.929 -5.504) 32.725 10.123 ( 30.552 26.758 1.530) 40.642 11.606 ( 1.152 -3.185 -13.198) 13.626 11.985 ( -4.158 11.995 -13.176) 18.296 12.770 ( 25.221 -3.488 -9.072) 27.028 13.626 ( -5.290 6.596 7.198) 11.104 14.343 ( -4.271 -27.184 7.651) 28.562 15.828 ( 9.339 13.252 2.864) 16.463 17.437 ( -1.116 36.505 3.110) 36.655 18.557 ( -3.880 3.190 7.452) 8.987 21.809 ( -22.320 -29.151 -8.756) 37.744 ======================= Grid point 157 (105/891) ======================= q-point: ( 0.48 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.942 ( 7.299 22.865 6.158) 24.779 9.279 ( 26.443 14.073 -7.925) 30.985 10.974 ( 31.146 27.965 0.243) 41.859 11.599 ( 10.752 -1.778 -11.488) 15.835 11.994 ( -2.849 11.055 -9.232) 14.681 13.082 ( 16.831 -6.331 -9.973) 20.562 13.598 ( -1.802 -3.676 14.550) 15.115 14.158 ( 8.925 -18.337 2.532) 20.551 16.145 ( 8.544 18.006 2.487) 20.085 17.747 ( -4.772 33.608 3.913) 34.170 18.517 ( -6.276 1.268 6.261) 8.956 21.028 ( -30.790 -31.206 -8.903) 44.733 ======================= Grid point 158 (106/891) ======================= q-point: ( 0.52 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.281 ( 8.345 14.809 3.940) 17.449 9.820 ( 27.135 8.979 -7.638) 29.585 11.329 ( 0.249 5.262 -5.637) 7.715 12.010 ( 7.536 6.513 -4.054) 10.754 12.236 ( 30.854 27.400 -9.012) 42.237 13.107 ( 0.709 -5.596 -5.424) 7.825 13.601 ( 4.871 -12.648 19.927) 24.100 14.362 ( 30.788 -11.569 -2.966) 33.023 16.477 ( 4.902 24.299 1.816) 24.855 17.943 ( -8.960 26.285 3.507) 27.991 18.408 ( -8.392 -1.824 5.237) 10.059 20.110 ( -35.980 -32.956 -8.486) 49.524 ======================= Grid point 159 (107/891) ======================= q-point: ( 0.57 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.530 ( 7.199 7.061 1.317) 10.169 10.331 ( 26.517 6.422 -4.583) 27.666 11.338 ( -0.192 2.642 -3.902) 4.716 12.159 ( 4.086 10.967 -3.750) 12.289 12.641 ( -1.977 -1.755 -3.110) 4.082 13.142 ( -1.700 7.887 -10.225) 13.024 13.924 ( 40.394 2.292 23.618) 46.848 14.833 ( 36.637 -11.499 -5.749) 38.827 16.783 ( -3.142 32.163 1.935) 32.374 17.938 ( -12.946 5.151 1.646) 14.030 18.252 ( -10.077 0.845 3.514) 10.706 19.152 ( -34.168 -30.682 -6.395) 46.365 ======================= Grid point 160 (108/891) ======================= q-point: ( 0.62 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.674 ( 4.436 1.842 -0.124) 4.805 10.816 ( 24.945 4.629 -0.503) 25.375 11.362 ( 1.707 1.875 -2.664) 3.678 12.268 ( -9.016 10.807 -3.750) 14.565 12.541 ( 7.564 -8.928 1.639) 11.816 13.018 ( -11.134 -0.905 -2.584) 11.466 14.881 ( 38.021 21.364 12.555) 45.384 15.296 ( 36.800 -12.601 -7.288) 39.574 16.908 ( -27.866 28.930 3.656) 40.334 17.626 ( -3.390 -22.447 -4.650) 23.173 18.099 ( -11.733 2.062 1.601) 12.020 18.456 ( -18.762 -11.601 -0.473) 22.064 ======================= Grid point 161 (109/891) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.718 ( -0.295 -0.000 0.000) 0.295 11.248 ( 22.147 0.000 -0.000) 22.147 11.416 ( 4.312 0.000 -0.000) 4.312 12.064 ( -15.276 -0.000 0.000) 15.276 12.750 ( 16.701 0.000 -0.000) 16.701 12.785 ( -14.061 -0.000 0.000) 14.061 15.216 ( -10.415 -0.000 0.000) 10.415 16.021 ( 40.029 0.000 -0.000) 40.029 16.315 ( -38.251 -0.000 0.000) 38.251 17.695 ( 19.361 0.000 -0.000) 19.361 17.934 ( -6.445 -0.000 0.000) 6.445 18.188 ( -10.247 -0.000 0.000) 10.247 ======================= Grid point 176 (110/891) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.518 ( -0.000 32.872 2.363) 32.957 8.242 ( -0.000 25.526 0.642) 25.534 9.551 ( -0.000 21.271 1.688) 21.338 11.602 ( 0.000 -3.539 -11.503) 12.035 12.139 ( 0.000 18.644 -23.501) 29.999 12.205 ( 0.000 -6.778 -2.153) 7.111 13.729 ( -0.000 9.075 3.705) 9.802 14.487 ( -0.000 -35.779 11.707) 37.646 15.581 ( -0.000 9.613 0.800) 9.646 17.473 ( -0.000 43.504 4.277) 43.714 18.628 ( -0.000 5.294 6.641) 8.493 22.203 ( 0.000 -29.251 -8.178) 30.373 ======================= Grid point 177 (111/891) ======================= q-point: ( 0.43 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.821 ( 0.442 26.968 2.443) 27.082 8.572 ( 12.602 18.017 -1.292) 22.025 9.935 ( 18.943 22.956 1.994) 29.829 11.523 ( -0.188 -4.118 -10.731) 11.496 12.106 ( -2.394 5.632 -10.095) 11.805 12.360 ( 14.778 2.084 -13.743) 20.288 13.758 ( -3.386 -0.026 6.093) 6.970 14.170 ( -3.324 -27.487 9.381) 29.233 15.754 ( 9.306 8.046 1.067) 12.348 17.905 ( -2.930 44.520 6.038) 45.023 18.682 ( -2.716 5.625 4.966) 7.980 21.778 ( -11.813 -30.897 -8.189) 34.077 ======================= Grid point 178 (112/891) ======================= q-point: ( 0.48 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.087 ( 2.694 19.865 3.180) 20.298 8.986 ( 19.806 11.208 -3.995) 23.105 10.634 ( 34.545 22.687 2.163) 41.385 11.452 ( 0.999 -3.865 -9.526) 10.329 12.113 ( -1.725 8.877 -8.167) 12.185 12.621 ( 21.742 -4.853 -11.083) 24.881 13.672 ( -5.559 -7.290 13.494) 16.314 13.938 ( -0.286 -15.684 0.899) 15.712 16.046 ( 15.049 7.631 1.197) 16.916 18.265 ( -7.569 41.836 6.500) 43.010 18.670 ( -6.007 3.967 3.792) 8.136 21.146 ( -22.688 -32.167 -8.134) 40.195 ======================= Grid point 179 (113/891) ======================= q-point: ( 0.52 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.317 ( 4.528 12.134 2.387) 13.169 9.433 ( 24.306 6.284 -4.313) 25.473 11.317 ( 6.325 4.944 -1.590) 8.184 11.605 ( 35.624 8.742 -4.085) 36.908 12.202 ( 4.068 16.286 -6.175) 17.886 12.862 ( 16.248 -10.235 -6.868) 20.395 13.546 ( -4.007 -11.238 15.350) 19.441 13.898 ( 11.095 -6.655 -3.359) 13.367 16.411 ( 17.929 8.312 0.811) 19.779 18.476 ( -13.908 27.761 5.430) 31.521 18.599 ( -8.888 10.563 3.595) 14.265 20.333 ( -31.636 -33.003 -7.778) 46.374 ======================= Grid point 180 (114/891) ======================= q-point: ( 0.57 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.489 ( 5.207 4.860 0.853) 7.173 9.905 ( 26.963 3.079 -2.363) 27.241 11.337 ( 0.314 0.205 -2.085) 2.119 12.087 ( 12.005 2.699 -1.256) 12.368 12.660 ( 8.623 14.793 -6.353) 18.263 13.037 ( 30.055 6.020 -6.404) 31.314 13.421 ( 1.934 -17.485 16.821) 24.340 14.184 ( 27.526 -3.611 -3.171) 27.942 16.809 ( 18.570 8.468 0.337) 20.412 18.320 ( -18.245 1.762 2.556) 18.507 18.638 ( -16.339 28.522 4.647) 33.198 19.399 ( -35.786 -32.840 -6.794) 49.043 ======================= Grid point 181 (115/891) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.601 ( 5.253 0.000 -0.000) 5.253 10.383 ( 27.501 0.000 -0.000) 27.501 11.345 ( 0.831 0.000 -0.000) 0.831 12.280 ( 10.747 0.000 -0.000) 10.747 12.569 ( -12.499 -0.000 0.000) 12.499 13.196 ( -9.835 -0.000 0.000) 9.835 14.083 ( 62.414 0.000 -0.000) 62.414 14.656 ( 29.460 0.000 -0.000) 29.460 17.180 ( 17.557 0.000 -0.000) 17.557 17.888 ( -36.435 -0.000 0.000) 36.435 18.495 ( -30.646 -0.000 0.000) 30.646 18.640 ( -14.433 -0.000 0.000) 14.433 ======================= Grid point 199 (116/891) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.063 ( -0.000 21.450 -0.133) 21.450 8.616 ( -0.000 12.719 0.596) 12.733 9.989 ( -0.000 20.652 1.926) 20.742 11.454 ( 0.000 -3.899 -8.427) 9.285 12.042 ( 0.000 -8.129 -1.671) 8.299 12.300 ( 0.000 12.751 -20.084) 23.790 13.782 ( -0.000 -5.327 7.869) 9.503 13.982 ( -0.000 -21.201 7.009) 22.330 15.741 ( -0.000 6.148 0.313) 6.156 18.396 ( -0.000 44.352 7.106) 44.918 18.777 ( -0.000 5.597 3.313) 6.504 21.545 ( 0.000 -31.603 -7.805) 32.552 ======================= Grid point 200 (117/891) ======================= q-point: ( 0.48 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.240 ( 0.366 14.442 0.432) 14.453 8.810 ( 10.534 7.562 -0.813) 12.993 10.355 ( 20.223 16.725 1.703) 26.298 11.390 ( -0.439 -3.047 -6.170) 6.895 12.061 ( 10.009 -4.571 -0.653) 11.023 12.356 ( 2.447 6.272 -15.166) 16.593 13.709 ( -3.463 -10.418 13.485) 17.389 13.830 ( -0.936 -8.670 -2.039) 8.955 15.880 ( 9.963 4.197 0.359) 10.817 18.792 ( -4.618 26.999 4.488) 27.756 18.810 ( -3.234 16.061 4.468) 16.981 21.110 ( -12.266 -30.300 -7.136) 33.459 ======================= Grid point 201 (118/891) ======================= q-point: ( 0.52 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.366 ( 1.799 6.982 0.815) 7.256 9.105 ( 18.239 3.261 -1.501) 18.589 10.982 ( 36.030 9.894 1.420) 37.391 11.346 ( 0.355 -1.981 -3.789) 4.290 12.246 ( 7.743 7.670 0.601) 10.916 12.434 ( 13.678 -7.015 -8.453) 17.543 13.580 ( -5.198 -7.025 8.407) 12.126 13.765 ( 0.775 -2.544 -2.220) 3.464 16.149 ( 17.217 2.503 0.300) 17.400 18.739 ( -7.800 1.746 1.092) 8.068 19.051 ( -7.928 28.018 5.196) 29.578 20.501 ( -24.650 -24.190 -5.436) 34.961 ======================= Grid point 202 (119/891) ======================= q-point: (-0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.444 ( 3.323 0.000 -0.000) 3.323 9.479 ( 23.935 0.000 -0.000) 23.935 11.329 ( 0.183 0.000 -0.000) 0.183 11.700 ( 36.576 0.000 -0.000) 36.576 12.463 ( 16.569 0.000 -0.000) 16.569 12.636 ( 13.669 0.000 -0.000) 13.669 13.461 ( -6.254 -0.000 0.000) 6.254 13.833 ( 11.008 0.000 -0.000) 11.008 16.494 ( 20.900 0.000 -0.000) 20.900 18.580 ( -12.090 -0.000 0.000) 12.090 19.069 ( -10.121 -0.000 0.000) 10.121 19.821 ( -36.450 -0.000 0.000) 36.450 ======================= Grid point 222 (120/891) ======================= q-point: ( 0.48 0.48 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.346 ( -0.000 7.409 -0.465) 7.424 8.776 ( -0.000 3.735 0.228) 3.742 10.313 ( -0.000 9.377 0.954) 9.426 11.358 ( 0.000 -1.603 -3.045) 3.441 11.897 ( 0.000 -4.485 -0.757) 4.548 12.375 ( 0.000 4.655 -8.171) 9.404 13.680 ( -0.000 -8.060 8.952) 12.046 13.779 ( 0.000 -2.565 -2.431) 3.534 15.823 ( -0.000 2.114 0.070) 2.115 18.871 ( -0.000 2.219 0.969) 2.421 19.185 ( -0.000 26.327 4.868) 26.774 20.934 ( 0.000 -21.482 -4.858) 22.024 ======================= Grid point 223 (121/891) ======================= q-point: (-0.48 -0.52 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.385 ( 0.491 0.000 -0.000) 0.491 8.878 ( 9.785 0.000 -0.000) 9.785 10.539 ( 20.510 0.000 -0.000) 20.510 11.337 ( -0.644 -0.000 0.000) 0.644 12.000 ( 14.197 0.000 -0.000) 14.197 12.369 ( -1.411 -0.000 0.000) 1.411 13.629 ( -2.930 -0.000 0.000) 2.930 13.755 ( -0.760 -0.000 0.000) 0.760 15.922 ( 10.124 0.000 -0.000) 10.124 18.850 ( -3.960 -0.000 0.000) 3.960 19.304 ( -3.517 -0.000 0.000) 3.517 20.694 ( -13.476 -0.000 0.000) 13.476 ======================= Grid point 469 (122/891) ======================= q-point: ( 0.05 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 891 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( -0.000 0.000 44.372) 44.372 0.450 ( -0.000 0.000 44.372) 44.372 0.883 ( -0.000 0.000 87.197) 87.197 7.769 ( 0.000 -0.000 -2.108) 2.108 7.769 ( 0.000 -0.000 -2.108) 2.108 12.499 ( 0.000 -0.000 -0.488) 0.488 12.499 ( 0.000 -0.000 -0.488) 0.488 14.097 ( -0.000 0.000 0.488) 0.488 14.097 ( -0.000 0.000 0.488) 0.488 18.566 ( 0.000 -0.000 -39.041) 39.041 19.308 ( -0.000 0.000 33.805) 33.805 24.860 ( 0.000 -0.000 -0.371) 0.371 ======================= Grid point 470 (123/891) ======================= q-point: ( 0.10 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 24.576 14.189 57.764) 64.358 1.580 ( 52.336 30.216 27.871) 66.550 2.180 ( 87.473 50.503 13.046) 101.844 7.800 ( 3.330 1.922 -2.811) 4.763 8.442 ( 28.392 16.392 -29.126) 43.853 12.478 ( -9.700 -5.601 16.837) 20.222 12.503 ( 0.651 0.376 -0.893) 1.167 12.975 ( -2.956 -1.707 39.533) 39.680 14.136 ( 2.760 1.594 1.505) 3.525 18.737 ( -1.192 -0.688 -24.114) 24.153 20.808 ( 29.861 17.240 -49.406) 60.248 24.624 ( -12.302 -7.103 -1.124) 14.250 ======================= Grid point 471 (124/891) ======================= q-point: ( 0.14 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 32.594 18.818 46.786) 60.045 2.866 ( 53.119 30.668 22.530) 65.343 4.233 ( 89.636 51.752 1.052) 103.509 7.895 ( 5.894 3.403 -3.773) 7.782 8.985 ( 28.439 16.420 -16.188) 36.612 12.365 ( -4.683 -2.704 17.726) 18.533 12.522 ( 1.325 0.765 -1.228) 1.962 13.414 ( 26.080 15.057 14.750) 33.532 14.230 ( 4.859 2.806 2.230) 6.038 18.569 ( -6.120 -3.533 -23.649) 24.682 20.826 ( -12.577 -7.261 -3.960) 15.053 24.316 ( -13.053 -7.536 -13.953) 20.539 ======================= Grid point 472 (125/891) ======================= q-point: ( 0.19 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.126 ( 40.197 23.208 36.295) 58.921 4.126 ( 51.603 29.793 19.514) 62.700 6.211 ( 84.564 48.823 -3.377) 97.704 8.033 ( 7.408 4.277 -5.066) 9.942 9.648 ( 33.904 19.575 -10.297) 40.481 12.354 ( -1.536 -0.887 14.284) 14.394 12.552 ( 1.637 0.945 -1.348) 2.322 14.142 ( 33.049 19.081 10.416) 39.558 14.369 ( 6.731 3.886 2.427) 8.142 18.308 ( -9.484 -5.476 -25.298) 27.566 20.353 ( -29.517 -17.041 16.867) 38.028 23.935 ( -15.078 -8.705 -22.596) 28.525 ======================= Grid point 473 (126/891) ======================= q-point: ( 0.24 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.206 ( 44.958 25.957 28.660) 59.299 5.327 ( 48.769 28.157 17.194) 58.880 8.010 ( 74.888 43.237 -7.599) 86.807 8.189 ( 7.909 4.567 -6.578) 11.255 10.446 ( 38.841 22.425 -5.675) 45.207 12.382 ( 0.046 0.027 11.927) 11.927 12.582 ( 1.277 0.738 -1.236) 1.925 14.549 ( 8.414 4.858 2.083) 9.936 14.925 ( 32.227 18.606 6.628) 37.798 17.977 ( -11.843 -6.837 -25.425) 28.869 19.656 ( -37.619 -21.719 28.807) 52.122 23.482 ( -17.370 -10.029 -27.643) 34.153 ======================= Grid point 474 (127/891) ======================= q-point: ( 0.29 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.337 ( 46.821 27.032 22.962) 58.739 6.442 ( 44.505 25.695 15.326) 53.626 8.343 ( 7.839 4.526 -8.137) 12.172 9.504 ( 58.828 33.964 -12.784) 69.121 11.371 ( 43.484 25.105 -0.672) 50.215 12.437 ( 1.984 1.146 8.354) 8.663 12.596 ( 0.101 0.058 -0.994) 1.001 14.762 ( 9.816 5.667 1.411) 11.422 15.577 ( 22.153 12.790 1.124) 25.605 17.638 ( -9.789 -5.651 -20.297) 23.232 18.897 ( -37.488 -21.644 34.773) 55.525 22.964 ( -19.831 -11.450 -29.742) 37.537 ======================= Grid point 475 (128/891) ======================= q-point: ( 0.33 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.465 ( 46.131 26.634 18.391) 56.353 7.431 ( 37.740 21.789 14.082) 45.797 8.495 ( 8.614 4.973 -9.685) 13.883 10.564 ( 39.265 22.670 -16.192) 48.144 12.321 ( 29.652 17.119 7.494) 35.049 12.575 ( -1.714 -0.990 -0.770) 2.124 12.578 ( 17.174 9.915 -4.465) 20.327 14.999 ( 10.616 6.129 0.715) 12.280 15.849 ( 1.481 0.855 0.645) 1.828 17.488 ( 1.904 1.099 -12.789) 12.977 18.251 ( -28.047 -16.193 34.974) 47.666 22.386 ( -22.355 -12.906 -29.327) 39.069 ======================= Grid point 476 (129/891) ======================= q-point: ( 0.38 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.536 ( 43.169 24.924 14.420) 51.892 8.178 ( 21.402 12.357 11.154) 27.113 8.729 ( 17.631 10.179 -8.663) 22.125 11.209 ( 23.170 13.377 -15.581) 30.961 12.511 ( -3.680 -2.124 -0.664) 4.300 12.529 ( 1.388 0.801 -1.958) 2.530 13.262 ( 27.928 16.124 -9.334) 33.572 15.241 ( 10.379 5.992 0.229) 11.987 15.817 ( -2.390 -1.380 20.221) 20.409 17.448 ( -5.721 -3.303 -10.834) 12.689 18.022 ( 1.121 0.647 24.779) 24.812 21.756 ( -24.832 -14.337 -26.653) 39.147 ======================= Grid point 477 (130/891) ======================= q-point: ( 0.43 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.462 ( 5.540 3.199 2.238) 6.777 8.502 ( 37.970 21.922 10.647) 45.118 9.241 ( 24.924 14.390 -0.639) 28.787 11.542 ( 10.922 6.306 -13.753) 18.659 12.408 ( -5.091 -2.939 -0.717) 5.922 12.444 ( -6.829 -3.943 -11.250) 13.739 13.651 ( 11.718 6.765 -8.525) 15.992 15.461 ( 8.814 5.089 0.033) 10.177 15.906 ( -2.406 -1.389 34.010) 34.123 17.378 ( 7.977 4.606 -6.235) 11.123 18.266 ( 11.618 6.708 10.138) 16.815 21.084 ( -27.192 -15.700 -22.042) 38.363 ======================= Grid point 478 (131/891) ======================= q-point: ( 0.48 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.547 ( 2.284 1.319 0.292) 2.653 9.304 ( 29.428 16.990 6.092) 34.522 9.740 ( 17.872 10.318 1.327) 20.679 11.594 ( -2.736 -1.580 -13.151) 13.526 12.239 ( -5.249 -3.030 -7.747) 9.836 12.287 ( -4.951 -2.859 -0.943) 5.794 13.847 ( 8.658 4.998 -6.374) 11.856 15.631 ( 5.952 3.437 0.088) 6.874 15.798 ( -13.727 -7.926 19.813) 25.373 17.787 ( 22.958 13.255 5.534) 27.081 18.584 ( 15.625 9.021 4.500) 18.595 20.379 ( -29.190 -16.853 -16.126) 37.364 ======================= Grid point 479 (132/891) ======================= q-point: ( 0.52 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.582 ( 0.791 0.457 0.633) 1.111 9.796 ( 10.593 6.116 -2.917) 12.575 10.026 ( 6.353 3.668 1.461) 7.480 11.451 ( -2.114 -1.220 -2.468) 3.471 12.183 ( 0.443 0.256 -4.283) 4.314 12.198 ( -2.144 -1.238 -1.260) 2.778 14.001 ( 6.003 3.466 -4.008) 8.006 15.517 ( -12.390 -7.153 0.229) 14.308 15.725 ( 2.152 1.243 0.311) 2.505 18.183 ( 6.875 3.969 8.513) 11.640 19.106 ( 28.185 16.273 7.502) 33.399 19.670 ( -28.155 -16.255 -9.215) 33.791 ======================= Grid point 480 (133/891) ======================= q-point: (-0.43 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.587 ( -0.727 -0.420 1.078) 1.366 9.683 ( -16.673 -9.626 -12.929) 23.191 10.023 ( -6.975 -4.027 1.146) 8.136 11.623 ( 13.542 7.818 13.423) 20.608 12.190 ( 1.921 1.109 -3.537) 4.175 12.196 ( 2.388 1.379 -1.422) 3.103 14.063 ( -0.848 -0.490 1.852) 2.095 15.290 ( -3.937 -2.273 -20.961) 21.449 15.728 ( -2.016 -1.164 0.614) 2.407 18.167 ( -10.013 -5.781 6.406) 13.218 18.975 ( -24.395 -14.084 -5.156) 28.637 19.929 ( 33.931 19.590 15.645) 42.188 ======================= Grid point 481 (134/891) ======================= q-point: (-0.38 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.547 ( -3.395 -1.960 0.287) 3.931 9.075 ( -30.935 -17.861 -15.326) 38.870 9.738 ( -17.638 -10.183 1.154) 20.399 11.880 ( 0.479 0.277 12.284) 12.296 12.282 ( 5.188 2.995 -1.379) 6.147 12.371 ( 14.783 8.535 7.260) 18.550 13.977 ( -6.612 -3.818 5.853) 9.621 15.184 ( 1.999 1.154 -37.823) 37.894 15.639 ( -5.911 -3.412 0.908) 6.885 17.811 ( -20.116 -11.614 5.626) 23.900 18.514 ( -16.139 -9.318 -2.060) 18.750 20.756 ( 33.009 19.058 20.124) 43.102 ======================= Grid point 482 (135/891) ======================= q-point: (-0.33 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.222 ( -39.160 -22.609 -16.064) 47.986 8.398 ( -10.647 -6.147 -3.807) 12.870 9.286 ( -21.205 -12.243 3.489) 24.733 11.806 ( -8.755 -5.055 10.714) 14.730 12.401 ( 5.330 3.077 -1.344) 6.300 12.645 ( 1.414 0.816 9.726) 9.862 13.858 ( -8.352 -4.822 11.005) 14.633 15.112 ( 6.738 3.890 -42.364) 43.073 15.472 ( -8.965 -5.176 1.091) 10.409 17.466 ( -8.890 -5.133 1.116) 10.326 18.154 ( -15.943 -9.205 -0.285) 18.412 21.546 ( 30.177 17.423 22.532) 41.496 ======================= Grid point 483 (136/891) ======================= q-point: (-0.29 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.211 ( -44.819 -25.876 -16.731) 54.389 7.957 ( -26.947 -15.558 -10.378) 32.801 8.894 ( -14.004 -8.085 7.478) 17.816 11.546 ( -19.631 -11.334 16.700) 28.156 12.504 ( 3.977 2.296 -1.390) 4.798 12.504 ( -11.450 -6.611 -2.952) 13.547 13.416 ( -34.030 -19.647 3.224) 39.426 15.249 ( -10.808 -6.240 1.056) 12.525 15.406 ( 26.431 15.260 -18.495) 35.687 17.411 ( 4.081 2.356 -16.793) 17.442 17.823 ( -11.656 -6.730 7.753) 15.532 22.271 ( 26.865 15.511 23.226) 38.753 ======================= Grid point 484 (137/891) ======================= q-point: (-0.24 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.093 ( -48.363 -27.922 -17.164) 58.422 7.153 ( -39.102 -22.575 -13.027) 46.993 8.665 ( -9.586 -5.535 7.020) 13.108 10.948 ( -40.320 -23.279 21.179) 51.148 12.162 ( -22.302 -12.876 -7.807) 26.910 12.567 ( -29.935 -17.283 -5.959) 35.076 12.569 ( 2.147 1.240 -1.407) 2.851 14.999 ( -11.336 -6.545 0.730) 13.110 15.827 ( 4.388 2.534 -1.627) 5.322 17.523 ( 18.829 10.871 -25.327) 33.379 17.822 ( 7.532 4.349 9.218) 12.673 22.917 ( 23.343 13.477 22.380) 35.034 ======================= Grid point 485 (138/891) ======================= q-point: (-0.19 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.919 ( -49.830 -28.770 -16.939) 59.981 6.138 ( -45.827 -26.458 -14.188) 54.786 8.476 ( -9.070 -5.237 4.982) 11.598 9.826 ( -63.956 -36.925 18.534) 76.140 11.350 ( -38.689 -22.337 -3.106) 44.782 12.246 ( -4.211 -2.431 -9.864) 10.997 12.593 ( 0.478 0.276 -1.255) 1.371 14.749 ( -10.698 -6.177 0.142) 12.354 15.510 ( -26.386 -15.234 -5.272) 30.920 18.058 ( 12.115 6.994 17.954) 22.761 18.235 ( 42.523 24.551 -27.502) 56.279 23.477 ( 19.679 11.362 20.143) 30.367 ======================= Grid point 486 (139/891) ======================= q-point: (-0.14 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.739 ( -49.119 -28.359 -15.336) 58.754 4.998 ( -50.235 -29.003 -14.797) 59.864 8.242 ( -79.222 -45.739 14.759) 92.661 8.284 ( -9.003 -5.198 2.834) 10.775 10.511 ( -34.820 -20.103 -0.343) 40.208 12.166 ( -0.892 -0.515 -7.825) 7.892 12.586 ( -0.670 -0.387 -0.906) 1.191 14.521 ( -9.190 -5.306 -0.531) 10.625 14.771 ( -34.693 -20.030 -8.143) 40.879 18.348 ( 11.043 6.376 4.739) 13.603 19.197 ( 44.438 25.656 -10.288) 52.333 23.942 ( 15.864 9.159 16.582) 24.709 ======================= Grid point 487 (140/891) ======================= q-point: (-0.10 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( -46.001 -26.558 -10.611) 54.166 3.773 ( -53.235 -30.735 -14.590) 63.178 6.387 ( -87.817 -50.701 13.396) 102.284 8.093 ( -8.200 -4.734 0.957) 9.517 9.770 ( -30.330 -17.511 -0.193) 35.022 12.141 ( 0.337 0.195 -3.746) 3.766 12.562 ( -1.187 -0.685 -0.488) 1.455 13.947 ( -34.458 -19.895 -8.511) 40.689 14.333 ( -7.108 -4.104 -1.000) 8.269 18.587 ( 9.312 5.376 -0.653) 10.772 20.112 ( 37.472 21.635 -4.130) 43.466 24.304 ( 11.817 6.822 11.668) 17.953 ======================= Grid point 488 (141/891) ======================= q-point: (-0.05 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -40.081 -23.141 2.526) 46.350 2.497 ( -55.072 -31.796 -12.721) 64.852 4.378 ( -92.981 -53.683 14.378) 108.324 7.928 ( -6.293 -3.633 -0.464) 7.281 9.149 ( -23.566 -13.606 -4.396) 27.565 12.162 ( 1.648 0.951 5.543) 5.860 12.533 ( -1.160 -0.670 -0.209) 1.356 13.200 ( -28.086 -16.216 -6.856) 33.148 14.196 ( -4.688 -2.707 -1.006) 5.506 18.760 ( 6.643 3.836 -5.031) 9.174 20.830 ( 26.293 15.181 -5.140) 30.793 24.552 ( 7.489 4.324 5.624) 10.316 ======================= Grid point 491 (142/891) ======================= q-point: ( 0.10 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -0.000 53.395 11.322) 54.582 1.436 ( -0.000 19.102 62.351) 65.212 2.564 ( -0.000 100.784 32.307) 105.835 7.789 ( 0.000 3.999 -3.360) 5.222 8.348 ( 0.000 34.760 -27.198) 44.136 12.505 ( 0.000 0.800 -0.788) 1.123 12.636 ( -0.000 12.882 0.287) 12.885 12.905 ( -0.000 -41.162 50.782) 65.369 14.114 ( -0.000 2.200 0.166) 2.206 18.642 ( 0.000 1.133 -31.804) 31.825 20.646 ( 0.000 39.022 -37.856) 54.368 24.696 ( 0.000 -8.703 -0.817) 8.742 ======================= Grid point 492 (143/891) ======================= q-point: ( 0.14 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 21.975 17.074 55.683) 62.250 2.386 ( 50.396 43.768 9.993) 67.493 3.945 ( 34.337 96.772 18.733) 104.378 7.857 ( 3.237 6.319 -3.963) 8.132 8.744 ( 16.686 28.310 -20.029) 38.484 12.426 ( -4.816 -5.732 10.670) 13.035 12.663 ( -4.927 6.940 7.552) 11.378 13.080 ( 23.345 2.201 14.088) 27.355 14.202 ( 5.387 5.075 1.126) 7.486 18.508 ( -2.207 -4.465 -29.683) 30.098 20.809 ( 1.489 -2.378 -10.697) 11.059 24.467 ( -14.276 -6.162 -7.653) 17.331 ======================= Grid point 493 (144/891) ======================= q-point: ( 0.19 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( 33.532 18.824 45.298) 59.419 3.703 ( 49.671 41.430 11.903) 65.767 5.640 ( 53.967 81.752 7.148) 98.219 7.988 ( 4.662 9.269 -4.722) 11.400 9.316 ( 25.637 26.440 -13.878) 39.357 12.365 ( -0.780 -5.238 11.349) 12.524 12.693 ( -5.454 12.938 2.397) 14.244 13.635 ( 32.624 0.885 8.528) 33.731 14.410 ( 7.946 14.239 2.688) 16.526 18.281 ( -5.657 -7.538 -29.213) 30.696 20.578 ( -13.908 -20.720 10.680) 27.144 24.083 ( -18.484 -5.912 -16.890) 25.727 ======================= Grid point 494 (145/891) ======================= q-point: ( 0.24 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.785 ( 41.384 21.030 35.417) 58.389 4.958 ( 44.983 41.833 12.448) 62.677 7.347 ( 58.749 64.068 -1.558) 86.940 8.164 ( 5.087 14.335 -4.645) 15.905 10.036 ( 33.327 25.785 -9.151) 43.120 12.356 ( 1.207 -5.172 9.765) 11.116 12.740 ( -6.322 15.535 0.980) 16.800 14.159 ( 28.854 -8.150 4.108) 30.263 14.813 ( 15.703 25.096 4.302) 29.915 17.979 ( -8.332 -9.491 -28.110) 30.816 20.050 ( -25.832 -27.571 24.540) 45.052 23.619 ( -19.996 -7.470 -24.235) 32.294 ======================= Grid point 495 (146/891) ======================= q-point: ( 0.29 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.848 ( 45.950 21.445 27.818) 57.837 6.132 ( 39.883 41.826 11.687) 58.964 8.283 ( 7.929 12.458 -9.980) 17.823 8.943 ( 49.174 52.547 -4.079) 72.083 10.895 ( 40.487 26.188 -4.255) 48.406 12.365 ( 2.650 -5.587 7.433) 9.669 12.783 ( -7.622 16.618 0.385) 18.287 14.508 ( 20.890 -6.144 1.738) 21.844 15.377 ( 19.684 19.721 1.650) 27.913 17.647 ( -8.352 -9.309 -23.528) 26.645 19.373 ( -31.838 -27.382 32.614) 53.170 23.097 ( -20.876 -9.976 -28.383) 36.618 ======================= Grid point 496 (147/891) ======================= q-point: ( 0.33 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.934 ( 47.612 19.660 21.926) 55.984 7.204 ( 33.704 40.976 10.588) 54.103 8.468 ( 3.584 14.722 -9.813) 18.052 10.115 ( 38.994 35.340 -11.151) 53.794 11.884 ( 44.256 26.837 0.093) 51.758 12.387 ( 4.514 -5.534 3.009) 7.749 12.803 ( -9.287 16.276 -0.608) 18.750 14.793 ( 17.161 -2.048 0.778) 17.300 15.765 ( 9.606 4.965 -2.012) 10.999 17.424 ( -0.871 -3.378 -15.005) 15.405 18.704 ( -30.604 -21.152 35.389) 51.346 22.525 ( -21.692 -12.938 -29.351) 38.722 ======================= Grid point 497 (148/891) ======================= q-point: ( 0.38 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.976 ( 46.482 15.078 17.029) 51.748 8.130 ( 23.621 38.632 9.826) 46.335 8.656 ( 4.905 18.789 -10.443) 22.049 10.893 ( 26.119 20.631 -13.502) 35.918 12.389 ( 3.615 -5.091 1.102) 6.341 12.772 ( -11.396 14.463 -1.729) 18.494 12.861 ( 36.997 20.909 -6.527) 42.995 15.052 ( 14.466 -1.183 0.577) 14.525 15.841 ( 2.773 -3.227 8.097) 9.147 17.415 ( 2.443 -0.282 -13.120) 13.348 18.237 ( -17.391 -8.130 32.944) 38.129 21.911 ( -22.545 -15.989 -27.453) 38.956 ======================= Grid point 498 (149/891) ======================= q-point: ( 0.43 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.879 ( 39.679 5.708 11.922) 41.823 8.700 ( 3.104 30.865 1.699) 31.067 9.085 ( 19.383 30.193 -2.350) 35.957 11.348 ( 15.351 10.444 -12.718) 22.505 12.364 ( -0.114 -5.140 -5.663) 7.649 12.656 ( -13.807 8.724 -6.226) 17.478 13.464 ( 17.575 11.464 -7.132) 22.162 15.254 ( 12.637 -5.641 2.882) 14.136 16.007 ( 8.363 4.652 24.457) 26.263 17.331 ( -2.191 -0.182 -9.847) 10.089 18.219 ( 3.928 3.584 18.604) 19.349 21.263 ( -23.485 -18.857 -23.122) 37.970 ======================= Grid point 499 (150/891) ======================= q-point: ( 0.48 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.411 ( 16.558 -0.736 4.226) 17.104 9.147 ( 15.578 29.735 1.771) 33.615 9.674 ( 13.576 28.467 0.693) 31.546 11.543 ( 4.283 2.808 -11.594) 12.675 12.242 ( -4.179 -4.668 -9.444) 11.333 12.470 ( -13.206 6.572 -3.664) 15.200 13.730 ( 8.852 6.538 -5.963) 12.516 15.372 ( 9.790 -14.117 5.097) 17.920 16.168 ( -9.375 9.151 17.379) 21.764 17.523 ( 21.858 10.803 1.861) 24.453 18.439 ( 10.867 4.510 7.766) 14.097 20.590 ( -24.569 -21.289 -17.138) 36.750 ======================= Grid point 500 (151/891) ======================= q-point: ( 0.52 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.573 ( 3.259 2.084 1.320) 4.087 9.688 ( 14.672 19.418 -1.790) 24.404 10.066 ( 3.449 20.262 0.838) 20.571 11.493 ( -4.399 0.257 -6.103) 7.527 12.153 ( 0.369 -0.445 -6.549) 6.574 12.330 ( -10.017 7.125 -2.093) 12.469 13.904 ( 7.664 4.892 -5.482) 10.617 15.309 ( 3.081 -23.711 3.024) 24.100 16.086 ( -15.850 17.480 1.461) 23.641 18.062 ( 18.489 7.207 12.775) 23.601 18.788 ( 24.353 8.578 4.893) 26.280 19.900 ( -25.247 -22.780 -10.651) 35.634 ======================= Grid point 501 (152/891) ======================= q-point: (-0.43 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.607 ( -1.219 0.929 0.845) 1.750 9.841 ( -9.872 4.305 -12.414) 16.435 10.210 ( -6.923 14.055 2.929) 15.939 11.543 ( 7.962 7.868 8.039) 13.782 12.154 ( 1.153 0.189 -5.776) 5.893 12.273 ( -5.016 9.830 -1.758) 11.175 14.040 ( 4.578 2.697 -2.276) 5.780 15.081 ( 0.552 -23.113 -9.300) 24.921 16.006 ( -14.336 17.966 -4.014) 23.333 18.245 ( -1.536 -3.783 10.012) 10.813 19.190 ( -20.499 -17.964 -5.541) 27.814 19.531 ( 34.766 10.092 12.563) 38.319 ======================= Grid point 502 (153/891) ======================= q-point: (-0.38 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.538 ( -4.530 -7.297 -1.156) 8.666 9.467 ( -27.319 0.552 -13.219) 30.354 10.084 ( -22.049 9.038 1.706) 23.891 11.859 ( 8.901 3.272 13.632) 16.606 12.218 ( 9.399 5.783 0.342) 11.041 12.337 ( 0.122 13.108 -2.242) 13.299 14.055 ( -3.911 -2.126 3.384) 5.592 14.878 ( 6.390 -16.579 -26.114) 31.585 15.899 ( -14.899 13.291 -5.133) 20.615 18.035 ( -16.652 -12.350 7.912) 22.190 18.663 ( -15.906 -14.478 -2.600) 21.665 20.367 ( 38.978 13.081 18.115) 44.928 ======================= Grid point 503 (154/891) ======================= q-point: (-0.33 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.215 ( -15.149 -26.278 -8.347) 31.460 8.967 ( -32.181 12.757 -8.379) 35.617 9.693 ( -30.376 3.870 2.219) 30.702 11.892 ( -3.433 -4.331 7.044) 8.953 12.402 ( 0.833 7.545 1.576) 7.753 12.638 ( 11.205 11.507 9.836) 18.834 13.949 ( -4.549 -3.040 6.895) 8.802 14.764 ( 8.718 -12.747 -36.157) 39.317 15.717 ( -16.082 6.694 -4.543) 18.002 17.621 ( -16.304 -10.266 3.808) 19.640 18.308 ( -13.228 -10.701 0.195) 17.016 21.198 ( 36.384 11.899 20.401) 43.377 ======================= Grid point 504 (155/891) ======================= q-point: (-0.29 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.464 ( -31.039 -34.382 -13.585) 48.272 8.507 ( -37.634 12.247 -9.097) 40.608 9.231 ( -26.411 2.841 5.893) 27.209 11.758 ( -10.274 -6.928 11.302) 16.772 12.429 ( -2.095 -3.852 0.548) 4.419 12.757 ( -9.127 10.924 1.135) 14.280 13.748 ( -22.267 -14.424 6.389) 27.289 14.856 ( 28.150 -1.685 -23.959) 37.004 15.485 ( -12.676 2.828 -3.834) 13.542 17.391 ( -4.460 -0.124 -7.832) 9.014 17.982 ( -13.355 -9.336 4.960) 17.033 21.967 ( 32.852 10.445 20.796) 40.260 ======================= Grid point 505 (156/891) ======================= q-point: (-0.24 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.463 ( -40.143 -34.641 -14.453) 54.957 7.797 ( -49.682 3.078 -11.559) 51.102 8.920 ( -18.425 4.573 6.817) 20.171 11.410 ( -27.066 -14.665 18.857) 36.100 12.255 ( -6.628 -9.749 -6.154) 13.298 12.691 ( -14.551 8.761 -3.849) 17.415 12.997 ( -36.171 -16.593 -3.397) 39.940 15.055 ( -3.494 -12.003 0.756) 12.524 15.617 ( 22.585 9.638 -5.414) 25.145 17.343 ( 2.117 7.013 -24.949) 26.002 17.813 ( -0.349 -2.609 13.396) 13.652 22.656 ( 28.959 8.875 19.586) 36.070 ======================= Grid point 506 (157/891) ======================= q-point: (-0.19 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.352 ( -45.097 -33.323 -13.488) 57.672 6.847 ( -56.841 -2.309 -12.101) 58.161 8.694 ( -15.751 3.416 4.899) 16.846 10.602 ( -53.571 -25.399 19.687) 62.470 11.788 ( -38.248 -19.155 -5.708) 43.155 12.215 ( -4.973 -9.496 -8.160) 13.472 12.771 ( -10.230 16.711 -2.882) 19.804 14.794 ( -8.766 -15.565 0.809) 17.882 15.755 ( -12.157 -5.866 -2.788) 13.783 17.681 ( 34.439 19.518 -24.944) 46.789 17.966 ( 10.550 2.780 14.347) 18.024 23.254 ( 24.912 7.114 16.926) 30.947 ======================= Grid point 507 (158/891) ======================= q-point: (-0.14 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.207 ( -47.316 -30.439 -10.424) 57.219 5.761 ( -61.562 -4.766 -11.842) 62.872 8.473 ( -14.483 1.356 2.483) 14.757 9.254 ( -76.437 -31.737 15.457) 84.195 10.932 ( -36.833 -17.394 -3.507) 40.884 12.126 ( 0.635 -2.581 -5.503) 6.111 12.752 ( -9.807 15.286 -2.161) 18.290 14.471 ( -8.019 -22.130 -0.702) 23.548 15.259 ( -32.137 -4.796 -5.118) 32.893 18.190 ( 14.466 5.458 -8.444) 17.617 18.609 ( 46.149 18.429 2.493) 49.755 23.753 ( 20.799 4.998 12.853) 24.955 ======================= Grid point 508 (159/891) ======================= q-point: (-0.10 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.102 ( -47.095 -24.887 -3.500) 53.382 4.598 ( -65.040 -4.482 -10.288) 66.001 7.560 ( -89.774 -31.524 11.910) 95.890 8.252 ( -13.022 -0.219 1.019) 13.064 10.169 ( -34.309 -12.763 -3.079) 36.736 12.119 ( 1.221 -0.171 -1.141) 1.679 12.722 ( -9.634 13.525 -1.074) 16.640 14.038 ( -14.197 -28.349 -3.730) 31.924 14.694 ( -28.796 3.811 -2.729) 29.176 18.435 ( 12.242 3.711 -7.602) 14.880 19.576 ( 45.209 14.780 2.486) 47.628 24.142 ( 16.642 2.247 7.256) 18.294 ======================= Grid point 509 (160/891) ======================= q-point: (-0.05 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -43.984 -13.889 11.470) 47.529 3.415 ( -67.422 -0.031 -6.072) 67.694 5.701 ( -99.240 -25.740 10.806) 103.092 8.046 ( -10.371 -0.818 -0.848) 10.437 9.498 ( -31.102 -7.201 -6.205) 32.522 12.157 ( 2.085 0.881 5.910) 6.328 12.684 ( -8.644 10.246 0.592) 13.418 13.450 ( -23.618 -17.661 -3.657) 29.717 14.358 ( -15.222 2.844 -0.429) 15.491 18.622 ( 9.834 2.041 -10.476) 14.513 20.404 ( 36.487 8.745 1.827) 37.564 24.407 ( 12.482 -1.530 0.147) 12.577 ======================= Grid point 513 (161/891) ======================= q-point: ( 0.14 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -0.000 25.862 52.457) 58.485 2.398 ( -0.000 57.979 3.464) 58.083 4.765 ( -0.000 103.260 22.683) 105.722 7.881 ( 0.000 7.908 -3.995) 8.860 8.855 ( 0.000 34.562 -19.759) 39.811 12.513 ( 0.000 0.723 -1.682) 1.831 12.583 ( -0.000 -18.270 28.976) 34.255 13.113 ( -0.000 29.110 -2.014) 29.179 14.192 ( -0.000 5.576 0.627) 5.611 18.369 ( 0.000 -6.400 -32.307) 32.935 20.726 ( 0.000 -10.042 -1.490) 10.151 24.508 ( 0.000 -7.953 -7.754) 11.108 ======================= Grid point 514 (162/891) ======================= q-point: ( 0.19 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 13.342 27.740 46.590) 55.841 3.377 ( 39.835 51.540 3.117) 65.214 5.992 ( 18.176 97.839 16.799) 100.921 7.996 ( 4.398 10.717 -3.924) 12.231 9.240 ( 11.915 34.110 -16.870) 39.876 12.388 ( -4.044 -5.766 10.720) 12.826 12.747 ( 13.489 -3.388 8.388) 16.241 13.405 ( 2.781 24.972 -0.798) 25.139 14.368 ( 11.070 11.173 1.257) 15.779 18.162 ( -2.448 -9.489 -32.247) 33.704 20.542 ( -4.824 -24.009 10.579) 26.676 24.270 ( -14.083 -7.331 -11.948) 19.870 ======================= Grid point 515 (163/891) ======================= q-point: ( 0.24 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.547 ( 27.137 26.726 40.355) 55.491 4.629 ( 46.970 47.441 2.966) 66.825 7.335 ( 28.253 80.842 6.048) 85.850 8.225 ( 7.512 19.894 -1.097) 21.294 9.799 ( 21.937 31.241 -13.349) 40.440 12.334 ( -0.695 -5.251 9.536) 10.909 12.959 ( 4.647 9.944 2.473) 11.251 13.701 ( 14.454 6.143 1.201) 15.751 14.774 ( 16.686 20.019 1.741) 26.119 17.886 ( -4.839 -12.036 -30.536) 33.177 20.160 ( -13.378 -32.156 21.022) 40.680 23.841 ( -21.275 -7.144 -17.725) 28.598 ======================= Grid point 516 (164/891) ======================= q-point: ( 0.29 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.470 ( 35.860 25.551 33.020) 55.038 5.884 ( 44.495 46.371 3.512) 64.362 8.233 ( 12.422 25.688 -11.825) 30.887 8.906 ( 25.714 62.860 8.098) 68.397 10.512 ( 32.322 28.600 -9.059) 44.099 12.311 ( 0.605 -5.430 7.929) 9.629 13.105 ( -5.254 20.135 -0.176) 20.810 14.030 ( 23.378 -5.707 0.965) 24.084 15.275 ( 16.723 19.680 0.301) 25.827 17.575 ( -5.449 -12.621 -25.831) 29.261 19.627 ( -20.473 -32.957 28.673) 48.244 23.306 ( -24.202 -8.687 -22.794) 34.362 ======================= Grid point 517 (165/891) ======================= q-point: ( 0.33 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.463 ( 40.430 23.174 26.465) 53.592 7.059 ( 38.563 46.327 3.451) 60.375 8.540 ( 5.313 21.176 -11.681) 24.761 9.952 ( 25.316 50.035 -1.219) 56.088 11.408 ( 41.867 28.990 -4.314) 51.106 12.299 ( 1.634 -5.430 5.557) 7.940 13.177 ( -11.075 23.152 -1.297) 25.697 14.381 ( 24.744 -7.021 -0.055) 25.721 15.650 ( 9.920 7.662 -2.992) 12.887 17.334 ( -0.773 -7.602 -17.320) 18.931 19.052 ( -23.396 -26.867 32.792) 48.421 22.704 ( -24.980 -11.769 -25.701) 37.723 ======================= Grid point 518 (166/891) ======================= q-point: ( 0.38 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.452 ( 41.304 19.188 20.771) 50.056 8.114 ( 30.726 45.381 2.863) 54.879 8.791 ( 2.479 25.382 -11.202) 27.855 10.706 ( 19.306 30.535 -7.164) 36.830 12.296 ( 3.329 -4.854 -0.062) 5.886 12.395 ( 39.726 24.940 -3.191) 47.014 13.176 ( -14.442 22.865 -1.332) 27.076 14.716 ( 21.396 -5.616 -0.539) 22.127 15.746 ( 4.044 -5.298 1.221) 6.776 17.300 ( 5.257 -0.592 -12.237) 13.331 18.574 ( -20.019 -15.111 33.012) 41.459 22.059 ( -24.655 -15.819 -25.821) 39.049 ======================= Grid point 519 (167/891) ======================= q-point: ( 0.43 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.355 ( 37.919 13.461 15.395) 43.082 8.932 ( 10.397 34.836 -1.522) 36.386 9.132 ( 13.083 38.324 -6.553) 41.023 11.187 ( 13.562 16.973 -8.681) 23.396 12.288 ( 1.674 -4.005 -4.596) 6.322 12.929 ( -2.749 7.892 -12.180) 14.771 13.320 ( 10.380 25.885 1.881) 27.952 14.961 ( 14.906 -8.508 1.831) 17.260 15.873 ( 15.235 -1.052 14.110) 20.792 17.317 ( 0.695 -0.101 -11.524) 11.545 18.347 ( -7.993 -2.132 26.327) 27.596 21.387 ( -23.782 -20.206 -23.052) 38.798 ======================= Grid point 520 (168/891) ======================= q-point: ( 0.48 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.067 ( 27.717 7.345 9.457) 30.193 9.303 ( 4.087 32.161 -4.798) 32.772 9.792 ( 13.354 39.264 -1.859) 41.514 11.457 ( 7.077 8.550 -7.891) 13.619 12.224 ( -2.065 -3.345 -10.205) 10.936 12.783 ( -14.219 8.165 -6.185) 17.524 13.672 ( 5.955 14.326 -3.236) 15.849 15.078 ( 10.506 -14.549 5.411) 18.744 16.275 ( 15.264 7.389 17.536) 24.395 17.339 ( 7.762 6.240 -5.534) 11.393 18.387 ( 2.631 1.742 14.430) 14.771 20.703 ( -22.843 -24.277 -17.860) 37.818 ======================= Grid point 521 (169/891) ======================= q-point: ( 0.52 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.486 ( 12.290 4.842 3.913) 13.777 9.712 ( 8.852 28.981 -4.216) 30.594 10.272 ( 3.085 29.921 -1.557) 30.120 11.551 ( -1.044 6.270 -5.108) 8.155 12.129 ( -1.326 -0.220 -9.531) 9.625 12.624 ( -13.288 10.512 -2.760) 17.166 13.840 ( 3.754 8.670 -4.821) 10.607 15.046 ( 3.883 -20.824 4.515) 21.659 16.474 ( -7.479 14.708 3.597) 16.888 17.775 ( 28.236 9.083 11.036) 31.648 18.539 ( 11.185 0.938 5.855) 12.659 20.017 ( -22.215 -27.266 -11.492) 37.001 ======================= Grid point 522 (170/891) ======================= q-point: ( 0.57 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.637 ( 0.899 2.729 0.796) 2.981 10.015 ( -2.446 18.291 -11.640) 21.818 10.505 ( -3.576 22.593 4.808) 23.374 11.592 ( -1.075 11.276 2.009) 11.504 12.116 ( 1.155 1.675 -7.601) 7.869 12.526 ( -10.576 13.470 -1.888) 17.230 13.969 ( 5.507 5.533 -5.333) 9.455 14.844 ( -1.941 -23.065 -1.698) 23.208 16.435 ( -15.008 18.972 -4.887) 24.679 18.211 ( 7.787 -1.443 14.181) 16.242 18.983 ( 35.919 6.625 7.827) 37.354 19.344 ( -20.568 -28.106 -5.586) 35.274 ======================= Grid point 523 (171/891) ======================= q-point: (-0.38 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.575 ( -7.220 -4.935 -2.138) 9.003 9.895 ( -20.406 12.212 -12.234) 26.743 10.606 ( -16.693 22.517 5.249) 28.517 11.781 ( 8.305 7.028 9.859) 14.682 12.146 ( 3.791 4.865 -5.338) 8.156 12.531 ( -5.487 16.206 -1.983) 17.224 14.080 ( 2.398 2.972 -1.656) 4.162 14.563 ( -0.797 -20.579 -14.216) 25.025 16.309 ( -17.939 16.151 -7.286) 25.214 18.173 ( -9.020 -10.642 10.534) 17.481 18.747 ( -15.735 -21.616 -3.180) 26.924 19.812 ( 44.206 7.043 15.107) 47.244 ======================= Grid point 524 (172/891) ======================= q-point: (-0.33 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.253 ( -16.959 -17.071 -6.349) 24.886 9.590 ( -27.112 17.328 -7.776) 33.103 10.376 ( -34.168 18.428 2.697) 38.915 11.897 ( 0.398 -3.429 5.198) 6.240 12.417 ( 12.031 7.281 10.496) 17.548 12.643 ( 3.286 18.490 -3.608) 19.123 14.040 ( -7.231 -0.311 2.546) 7.672 14.383 ( 7.184 -14.728 -26.608) 31.249 16.082 ( -20.161 7.854 -6.333) 22.544 17.815 ( -17.650 -13.694 6.075) 23.151 18.384 ( -9.044 -12.884 -0.131) 15.742 20.678 ( 42.777 6.273 17.374) 46.594 ======================= Grid point 525 (173/891) ======================= q-point: (-0.29 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.627 ( -28.294 -25.190 -9.349) 39.019 9.252 ( -32.916 19.570 -7.679) 39.057 9.895 ( -39.576 13.869 4.017) 42.127 11.845 ( -3.684 -4.361 6.321) 8.517 12.472 ( -5.684 -4.999 4.706) 8.913 12.985 ( 3.864 20.220 2.853) 20.782 13.938 ( -10.594 -5.965 7.395) 14.230 14.313 ( 17.425 -6.286 -29.996) 35.255 15.749 ( -19.153 -1.875 -3.256) 19.518 17.485 ( -10.176 -3.519 -2.369) 11.025 18.109 ( -10.912 -10.401 3.211) 15.413 21.493 ( 39.463 5.218 17.268) 43.391 ======================= Grid point 526 (174/891) ======================= q-point: (-0.24 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.769 ( -37.647 -27.216 -9.800) 47.477 8.706 ( -48.638 14.382 -10.753) 51.847 9.433 ( -30.318 11.963 6.406) 33.217 11.696 ( -13.392 -7.734 13.060) 20.242 12.253 ( -7.808 -10.915 -3.320) 13.825 13.100 ( -15.013 21.181 -3.886) 26.251 13.401 ( -31.379 -17.951 -1.592) 36.186 14.742 ( 29.073 -2.099 -5.811) 29.723 15.465 ( -4.171 -3.043 -2.682) 5.818 17.366 ( -3.703 5.899 -15.465) 16.961 17.869 ( -7.065 -7.347 10.179) 14.405 22.231 ( 35.411 4.054 15.379) 38.819 ======================= Grid point 527 (175/891) ======================= q-point: (-0.19 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.778 ( -44.209 -25.335 -8.053) 51.586 7.849 ( -59.572 8.672 -10.224) 61.062 9.108 ( -23.683 9.136 4.357) 25.755 11.224 ( -35.618 -16.173 16.317) 42.384 12.067 ( -5.010 -4.853 -5.449) 8.851 12.399 ( -42.480 -19.992 -7.068) 47.478 13.181 ( -14.032 24.099 -2.902) 28.037 14.763 ( -6.467 -19.144 1.303) 20.249 15.685 ( 16.495 0.751 -1.874) 16.618 17.386 ( 8.471 12.780 -22.242) 27.015 17.867 ( 6.793 -1.749 14.472) 16.082 22.876 ( 31.008 2.612 11.934) 33.328 ======================= Grid point 528 (176/891) ======================= q-point: (-0.14 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.742 ( -48.245 -19.991 -3.739) 52.356 6.822 ( -64.858 5.322 -8.532) 65.633 8.812 ( -20.607 4.864 1.446) 21.223 10.252 ( -63.148 -20.360 13.354) 67.680 11.414 ( -40.304 -12.940 -5.711) 42.714 12.071 ( 1.236 -2.145 -2.906) 3.818 13.160 ( -15.312 23.838 -2.760) 28.466 14.398 ( -9.919 -23.876 0.314) 25.856 15.647 ( -16.826 -2.395 -2.586) 17.191 17.832 ( 29.403 12.354 -27.002) 41.788 18.155 ( 23.284 3.319 22.785) 32.746 23.413 ( 26.426 0.646 6.993) 27.343 ======================= Grid point 529 (177/891) ======================= q-point: (-0.10 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.753 ( -49.646 -10.211 4.358) 50.872 5.715 ( -67.487 4.309 -5.442) 67.843 8.506 ( -19.935 0.515 -3.179) 20.193 8.853 ( -80.392 -16.366 11.087) 82.787 10.661 ( -36.188 -6.224 -4.687) 37.017 12.092 ( 2.029 0.443 1.301) 2.451 13.099 ( -15.543 17.551 -1.372) 23.484 13.996 ( -10.754 -20.002 -0.961) 22.730 15.215 ( -28.915 1.053 -1.542) 28.975 18.187 ( 16.309 3.244 -17.659) 24.256 18.925 ( 45.592 7.016 15.133) 48.548 23.829 ( 21.701 -2.105 0.499) 21.809 ======================= Grid point 530 (178/891) ======================= q-point: (-0.05 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( -47.303 5.055 17.645) 50.739 4.602 ( -67.717 6.594 0.298) 68.038 7.223 ( -93.465 -6.566 3.530) 93.761 8.250 ( -14.740 -0.825 -0.868) 14.789 10.010 ( -35.092 0.607 -6.227) 35.646 12.151 ( 2.285 1.512 6.131) 6.715 12.940 ( -13.405 0.002 0.090) 13.405 13.686 ( -14.509 3.113 0.337) 14.843 14.745 ( -26.488 1.676 0.849) 26.554 18.396 ( 12.986 0.596 -16.497) 21.004 19.792 ( 43.773 1.789 12.651) 45.600 24.107 ( 16.834 -5.682 -7.383) 19.240 ======================= Grid point 535 (179/891) ======================= q-point: ( 0.19 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( -0.000 32.941 41.477) 52.966 3.551 ( -0.000 57.768 1.095) 57.779 6.894 ( -0.000 99.368 17.507) 100.898 8.044 ( 0.000 11.258 -3.888) 11.911 9.443 ( 0.000 37.751 -17.701) 41.695 12.448 ( -0.000 -12.814 20.065) 23.807 12.507 ( 0.000 0.124 -2.842) 2.845 13.759 ( 0.000 37.566 -3.995) 37.778 14.344 ( -0.000 9.140 1.611) 9.281 17.966 ( 0.000 -12.077 -32.911) 35.057 20.359 ( -0.000 -30.371 15.299) 34.006 24.273 ( 0.000 -9.411 -11.637) 14.966 ======================= Grid point 536 (180/891) ======================= q-point: ( 0.24 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.681 ( 8.791 34.699 37.317) 51.710 4.424 ( 32.494 53.581 0.131) 62.664 7.902 ( 1.926 73.380 5.611) 73.619 8.290 ( 13.679 33.845 4.349) 36.763 9.827 ( 8.482 36.517 -16.720) 41.049 12.337 ( -2.612 -6.724 10.571) 12.797 12.703 ( 19.108 -3.968 2.365) 19.659 13.943 ( -13.431 28.763 -2.448) 31.839 14.664 ( 18.178 18.540 0.500) 25.969 17.707 ( -2.016 -14.867 -31.208) 34.627 20.048 ( -5.311 -35.861 20.716) 41.753 24.015 ( -13.461 -9.755 -13.971) 21.715 ======================= Grid point 537 (181/891) ======================= q-point: ( 0.29 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.388 ( 20.517 33.091 33.535) 51.386 5.589 ( 43.252 49.385 -1.282) 65.660 8.317 ( 5.054 24.798 -8.560) 26.716 9.261 ( 17.344 75.263 13.113) 78.341 10.335 ( 18.351 32.453 -14.847) 40.129 12.284 ( -0.589 -5.925 8.694) 10.538 13.058 ( 23.407 0.020 -0.008) 23.407 13.963 ( -9.904 19.595 -1.087) 21.983 15.178 ( 17.304 20.010 -1.221) 26.482 17.412 ( -2.514 -16.147 -26.482) 31.119 19.631 ( -10.352 -36.575 25.345) 45.687 23.555 ( -22.288 -10.137 -17.306) 29.983 ======================= Grid point 538 (182/891) ======================= q-point: ( 0.33 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.226 ( 28.564 30.102 28.485) 50.333 6.806 ( 44.064 46.592 -2.110) 64.163 8.627 ( 6.706 24.840 -10.598) 27.826 10.211 ( 10.112 58.847 5.869) 59.997 11.041 ( 33.029 32.930 -9.974) 47.695 12.253 ( 0.283 -5.150 7.262) 8.907 13.448 ( 13.527 12.287 -2.139) 18.399 14.016 ( 2.496 7.021 -0.736) 7.488 15.558 ( 9.351 9.375 -3.880) 13.798 17.176 ( 1.393 -11.586 -18.113) 21.547 19.179 ( -13.331 -31.259 28.493) 44.347 22.961 ( -27.003 -11.845 -20.307) 35.803 ======================= Grid point 539 (183/891) ======================= q-point: ( 0.38 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.115 ( 32.619 25.968 23.101) 47.665 7.957 ( 39.308 43.863 -3.188) 58.985 8.960 ( 5.398 29.799 -11.385) 32.354 10.813 ( 6.761 36.966 -1.394) 37.605 11.937 ( 34.677 24.606 -10.328) 43.756 12.266 ( 3.829 2.321 8.062) 9.221 13.661 ( -10.591 27.186 -2.080) 29.251 14.237 ( 23.547 -7.010 -1.490) 24.614 15.637 ( 1.565 -6.141 -2.119) 6.682 17.142 ( 7.244 -2.021 -11.404) 13.661 18.788 ( -13.070 -20.863 29.619) 38.514 22.282 ( -28.694 -15.143 -21.903) 39.146 ======================= Grid point 540 (184/891) ======================= q-point: ( 0.43 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.975 ( 32.740 20.832 17.730) 42.664 8.937 ( 28.562 36.827 -5.923) 46.980 9.339 ( 5.859 38.741 -9.660) 40.355 11.203 ( 5.734 23.586 -3.484) 24.522 12.189 ( 4.240 -3.930 -5.834) 8.214 12.767 ( 21.010 15.578 -5.953) 26.824 13.706 ( -13.257 30.777 1.546) 33.546 14.573 ( 22.023 -7.878 -0.895) 23.407 15.630 ( 10.275 -8.698 7.407) 15.365 17.229 ( 5.750 1.554 -10.171) 11.787 18.547 ( -9.166 -8.936 27.188) 30.051 21.552 ( -28.113 -19.749 -21.311) 40.429 ======================= Grid point 541 (185/891) ======================= q-point: ( 0.48 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.729 ( 28.502 15.206 12.252) 34.549 9.519 ( 7.795 31.584 -10.079) 34.057 9.928 ( 15.289 41.290 -5.309) 44.348 11.462 ( 3.758 15.899 -3.063) 16.622 12.178 ( 0.831 -1.542 -9.825) 9.980 12.959 ( -1.963 2.885 -7.817) 8.560 13.876 ( -5.483 28.776 1.279) 29.322 14.765 ( 12.051 -12.424 3.762) 17.713 15.963 ( 28.411 0.077 13.091) 31.281 17.295 ( 3.213 4.993 -7.885) 9.871 18.468 ( -4.031 -2.024 19.924) 20.429 20.805 ( -25.867 -25.027 -18.124) 40.298 ======================= Grid point 542 (186/891) ======================= q-point: ( 0.52 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.298 ( 19.376 10.092 6.652) 22.837 9.895 ( 4.392 32.231 -9.514) 33.891 10.468 ( 7.902 28.812 -3.919) 30.132 11.640 ( 0.970 14.500 -1.498) 14.610 12.136 ( -1.784 3.772 -11.617) 12.344 12.878 ( -7.124 4.595 -3.370) 9.122 13.996 ( -8.332 20.311 -2.436) 22.088 14.789 ( 6.247 -17.538 5.793) 19.498 16.522 ( 21.365 8.983 8.548) 24.703 17.474 ( 15.389 8.029 0.713) 17.373 18.473 ( 0.193 -1.910 11.394) 11.554 20.069 ( -22.745 -29.825 -12.689) 39.597 ======================= Grid point 543 (187/891) ======================= q-point: ( 0.57 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.615 ( 7.069 5.262 1.659) 8.968 10.213 ( 0.786 27.327 -12.341) 29.994 10.751 ( 1.146 18.262 4.102) 18.752 11.774 ( -1.884 14.361 -0.492) 14.492 12.142 ( -2.290 11.864 -9.646) 15.461 12.810 ( -7.740 9.021 -1.790) 12.020 14.012 ( -5.813 12.112 -5.269) 14.431 14.674 ( -0.797 -17.748 3.308) 18.071 16.792 ( -4.718 17.720 -3.670) 18.701 17.985 ( 27.231 2.379 15.767) 31.556 18.551 ( 13.786 -3.592 4.530) 14.949 19.370 ( -19.550 -31.898 -6.689) 38.005 ======================= Grid point 544 (188/891) ======================= q-point: (-0.38 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.648 ( -5.177 -1.683 -2.185) 5.866 10.303 ( -12.705 21.362 -13.229) 28.156 10.997 ( 1.408 20.567 12.115) 23.911 11.840 ( -2.392 7.098 0.298) 7.496 12.201 ( -4.256 16.471 -7.133) 18.446 12.782 ( -6.950 11.913 -1.723) 13.899 14.027 ( 2.029 2.348 -8.363) 8.920 14.459 ( -7.585 -10.443 -1.135) 12.957 16.751 ( -17.015 17.000 -7.827) 25.294 18.204 ( -1.029 -8.259 12.920) 15.368 18.736 ( -12.276 -30.349 -2.263) 32.816 19.133 ( 43.184 2.088 9.950) 44.365 ======================= Grid point 545 (189/891) ======================= q-point: (-0.33 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.393 ( -16.511 -9.941 -4.857) 19.875 10.177 ( -21.894 22.508 -8.766) 32.601 11.126 ( -21.329 24.700 8.918) 33.831 11.864 ( 1.361 -1.471 3.513) 4.044 12.333 ( 6.524 14.133 -0.003) 15.566 12.780 ( -3.704 7.554 -4.381) 9.485 14.044 ( 7.277 -9.996 -14.136) 18.780 14.254 ( -12.000 6.555 -1.882) 13.803 16.502 ( -23.084 6.615 -6.512) 24.880 17.973 ( -14.366 -15.049 7.962) 22.277 18.357 ( -4.379 -15.739 -0.645) 16.349 19.991 ( 48.037 1.217 13.747) 49.981 ======================= Grid point 546 (190/891) ======================= q-point: (-0.29 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.874 ( -26.965 -15.572 -5.950) 31.702 9.950 ( -28.074 22.575 -7.186) 36.735 10.811 ( -42.762 22.356 4.710) 48.483 11.863 ( -0.672 -2.408 4.637) 5.268 12.519 ( -3.345 -5.724 7.695) 10.157 12.935 ( 20.249 13.122 -5.844) 24.827 13.976 ( 3.123 -11.099 -17.886) 21.280 14.164 ( -11.027 14.575 -0.110) 18.276 16.069 ( -24.494 -7.240 -2.574) 25.671 17.634 ( -12.562 -5.871 0.623) 13.880 18.160 ( -5.879 -10.526 2.192) 12.255 20.847 ( 45.772 0.603 13.271) 47.661 ======================= Grid point 547 (191/891) ======================= q-point: (-0.24 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.154 ( -35.983 -16.929 -5.274) 40.115 9.579 ( -38.007 18.582 -9.191) 43.293 10.243 ( -45.437 16.619 5.012) 48.640 11.825 ( -4.516 -2.245 8.072) 9.518 12.279 ( -9.914 -14.003 -1.612) 17.233 13.421 ( 10.224 21.019 -1.146) 23.402 13.676 ( -19.871 -15.227 -6.940) 25.978 14.293 ( 13.769 11.964 -4.585) 18.808 15.576 ( -17.800 -14.413 -0.289) 22.906 17.459 ( -6.027 3.923 -7.499) 10.389 17.956 ( -8.186 -8.230 6.239) 13.179 21.637 ( 41.848 -0.028 10.716) 43.198 ======================= Grid point 548 (192/891) ======================= q-point: (-0.19 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.310 ( -42.996 -14.186 -2.708) 45.357 8.909 ( -54.690 12.451 -9.225) 56.843 9.708 ( -34.468 10.276 3.707) 36.158 11.614 ( -20.732 -9.528 10.836) 25.259 12.041 ( -2.088 -5.405 -5.094) 7.715 12.962 ( -41.367 -13.734 -5.749) 43.965 13.651 ( -9.691 27.639 -1.729) 29.340 14.595 ( 8.102 -13.009 0.575) 15.336 15.360 ( 12.421 -4.560 -1.038) 13.273 17.416 ( -3.200 9.479 -15.788) 18.691 17.821 ( -0.942 -5.935 13.363) 14.652 22.334 ( 37.145 -0.998 6.569) 37.735 ======================= Grid point 549 (193/891) ======================= q-point: (-0.14 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.425 ( -47.599 -7.396 2.148) 48.218 7.962 ( -63.528 7.423 -6.060) 64.247 9.265 ( -27.154 3.668 -0.010) 27.401 11.019 ( -40.636 -11.757 6.972) 42.874 12.006 ( -11.060 1.126 -1.151) 11.177 12.071 ( -34.841 -7.708 -3.808) 35.887 13.683 ( -17.077 26.814 -2.924) 31.924 14.327 ( -8.571 -24.338 0.838) 25.816 15.673 ( 12.843 -0.014 -1.270) 12.906 17.491 ( 10.872 10.446 -17.933) 23.429 17.930 ( 12.507 -3.160 17.992) 22.139 22.919 ( 32.011 -2.580 1.015) 32.131 ======================= Grid point 550 (194/891) ======================= q-point: (-0.10 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.594 ( -49.307 3.586 9.735) 50.386 6.894 ( -66.546 4.753 -1.893) 66.743 8.849 ( -22.465 -1.193 -3.408) 22.753 10.030 ( -65.535 -7.115 3.651) 66.022 11.270 ( -40.569 2.570 -3.841) 40.831 12.073 ( 2.277 1.855 3.194) 4.339 13.517 ( -19.965 1.930 -1.343) 20.103 14.036 ( -7.836 -0.736 -0.345) 7.879 15.627 ( -16.144 1.221 -0.802) 16.210 17.822 ( 21.500 4.720 -23.870) 32.469 18.344 ( 32.002 -1.936 26.234) 41.426 23.373 ( 26.584 -4.925 -5.846) 27.661 ======================= Grid point 551 (195/891) ======================= q-point: (-0.05 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.917 ( -47.530 17.397 19.582) 54.270 5.813 ( -66.093 5.704 4.033) 66.461 8.449 ( -24.311 -0.689 -8.829) 25.873 8.775 ( -74.956 2.443 3.600) 75.082 10.657 ( -37.751 9.090 -4.503) 39.090 12.153 ( 2.429 2.805 6.588) 7.561 13.112 ( -16.040 -15.738 -0.056) 22.472 14.013 ( -8.956 21.365 0.747) 23.178 15.250 ( -28.233 2.391 1.803) 28.391 18.082 ( 16.370 -0.218 -22.288) 27.655 19.075 ( 44.170 -5.279 24.257) 50.668 23.682 ( 20.996 -7.809 -13.658) 26.236 ======================= Grid point 557 (196/891) ======================= q-point: ( 0.24 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.102 ( -0.000 38.148 31.612) 49.544 4.675 ( -0.000 56.024 0.608) 56.027 8.266 ( 0.000 13.694 -3.217) 14.066 8.878 ( -0.000 91.892 11.995) 92.671 10.074 ( 0.000 38.024 -17.661) 41.926 12.340 ( -0.000 -10.107 14.659) 17.806 12.481 ( 0.000 -0.505 -3.550) 3.585 14.489 ( 0.000 38.771 -5.147) 39.112 14.566 ( -0.000 11.927 2.360) 12.158 17.459 ( 0.000 -18.069 -29.423) 34.528 19.797 ( -0.000 -38.310 22.004) 44.180 23.979 ( 0.000 -11.946 -13.424) 17.970 ======================= Grid point 558 (197/891) ======================= q-point: ( 0.29 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.628 ( 6.355 38.759 28.678) 48.632 5.468 ( 27.134 52.606 -0.657) 59.195 8.428 ( 3.725 17.089 -4.204) 17.988 9.864 ( 8.627 82.966 9.431) 83.945 10.422 ( 5.091 35.254 -17.566) 39.716 12.272 ( -1.383 -6.535 10.112) 12.119 12.638 ( 18.731 -2.801 -1.342) 18.987 14.448 ( -17.485 23.265 -0.608) 29.109 15.089 ( 17.034 24.402 -2.776) 29.888 17.170 ( -0.335 -20.215 -24.680) 31.903 19.463 ( -3.870 -37.387 23.313) 44.230 23.697 ( -12.891 -12.979 -14.568) 23.385 ======================= Grid point 559 (198/891) ======================= q-point: ( 0.33 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.277 ( 15.215 36.435 26.341) 47.464 6.534 ( 39.057 47.895 -2.915) 61.870 8.706 ( 8.326 22.053 -6.305) 24.401 10.711 ( 0.444 49.492 2.436) 49.554 10.913 ( 20.752 48.341 -13.255) 54.251 12.240 ( -0.407 -3.098 9.385) 9.891 13.016 ( 28.604 -2.520 -2.287) 28.805 14.386 ( -16.411 22.707 -0.631) 28.024 15.496 ( 8.627 12.695 -4.571) 16.015 16.936 ( 3.983 -15.849 -16.577) 23.277 19.112 ( -5.994 -31.898 24.173) 40.469 23.206 ( -22.583 -13.998 -16.291) 31.166 ======================= Grid point 560 (199/891) ======================= q-point: ( 0.38 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.016 ( 21.719 32.372 22.733) 45.127 7.661 ( 41.535 42.358 -5.172) 59.549 9.093 ( 10.187 29.316 -8.201) 32.101 11.083 ( 2.736 29.366 -5.021) 29.918 11.685 ( 20.209 30.658 -11.633) 38.518 12.305 ( 2.410 11.844 11.326) 16.564 13.517 ( 32.574 -0.877 -3.050) 32.728 14.319 ( -16.762 21.271 -0.695) 27.091 15.566 ( -1.197 -5.483 -3.376) 6.549 16.931 ( 10.564 -3.032 -9.485) 14.517 18.819 ( -6.002 -22.826 24.493) 34.014 22.562 ( -28.786 -15.977 -17.762) 37.408 ======================= Grid point 561 (200/891) ======================= q-point: ( 0.43 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.780 ( 24.916 27.220 18.275) 41.179 8.692 ( 36.641 34.327 -8.317) 50.892 9.568 ( 9.711 38.765 -8.738) 40.907 11.366 ( 2.694 21.878 -3.596) 22.335 12.000 ( 10.165 -2.073 -10.683) 14.892 12.679 ( 10.186 24.952 3.051) 27.123 14.051 ( 30.823 -4.497 -2.305) 31.235 14.255 ( -15.076 27.495 1.126) 31.377 15.446 ( 0.723 -11.965 3.636) 12.526 17.093 ( 9.601 3.559 -7.728) 12.828 18.635 ( -4.294 -13.227 23.555) 27.354 21.809 ( -31.768 -19.324 -18.254) 41.422 ======================= Grid point 562 (201/891) ======================= q-point: ( 0.48 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.498 ( 24.579 21.428 13.368) 35.242 9.484 ( 25.052 26.986 -12.311) 38.826 10.111 ( 9.251 42.049 -7.074) 43.631 11.585 ( 1.924 16.998 -1.718) 17.193 12.080 ( 6.617 -0.297 -10.849) 12.711 12.956 ( 2.317 7.895 -3.180) 8.821 14.211 ( 2.684 2.912 3.360) 5.193 14.573 ( 4.754 23.439 0.742) 23.928 15.504 ( 20.715 -10.154 8.993) 24.761 17.251 ( 5.938 6.878 -6.593) 11.227 18.558 ( -2.643 -6.868 20.193) 21.492 20.994 ( -31.715 -24.011 -17.124) 43.308 ======================= Grid point 563 (202/891) ======================= q-point: ( 0.52 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.103 ( 20.423 15.274 8.118) 26.764 10.023 ( 13.572 27.186 -14.461) 33.651 10.585 ( 6.458 28.113 -3.506) 29.058 11.757 ( 1.710 12.373 -1.880) 12.632 12.183 ( 3.016 13.644 -11.346) 18.000 12.958 ( -3.060 0.585 -2.047) 3.728 14.328 ( 3.828 4.902 3.150) 6.972 14.676 ( -11.609 12.115 4.035) 17.258 16.036 ( 39.768 -0.010 8.513) 40.669 17.402 ( 5.190 9.304 -4.030) 11.391 18.520 ( -2.554 -4.836 14.967) 15.935 20.161 ( -28.699 -29.531 -13.893) 43.459 ======================= Grid point 564 (203/891) ======================= q-point: ( 0.57 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.522 ( 12.142 8.636 2.771) 15.155 10.404 ( 5.552 27.419 -15.301) 31.887 10.866 ( 3.698 14.683 3.966) 15.652 11.859 ( 1.067 5.633 -4.058) 7.024 12.372 ( -1.781 27.379 -9.160) 28.925 12.913 ( -1.260 0.504 -1.312) 1.887 14.404 ( -13.516 20.419 -2.191) 24.585 14.546 ( -3.963 -7.389 7.372) 11.165 16.748 ( 30.750 9.947 3.077) 32.465 17.620 ( 14.852 4.518 3.217) 15.854 18.465 ( -2.506 -5.805 9.173) 11.141 19.367 ( -22.653 -33.951 -8.582) 41.707 ======================= Grid point 565 (204/891) ======================= q-point: ( 0.62 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.683 ( 0.439 1.527 -1.550) 2.220 10.635 ( -3.588 25.958 -14.592) 29.993 11.104 ( 6.914 12.828 12.079) 18.928 11.884 ( -0.183 1.248 -4.099) 4.288 12.542 ( -7.089 26.360 -7.642) 28.346 12.923 ( 0.036 3.348 -1.421) 3.637 14.176 ( -21.651 6.466 -5.657) 23.293 14.550 ( -2.367 7.205 4.512) 8.825 17.113 ( -4.922 18.279 -7.321) 20.296 18.042 ( 24.594 -9.755 16.030) 30.935 18.414 ( 6.943 -15.380 1.930) 16.985 18.752 ( -5.142 -22.862 -1.245) 23.466 ======================= Grid point 566 (205/891) ======================= q-point: (-0.33 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.557 ( -12.117 -4.594 -3.535) 13.432 10.695 ( -14.112 26.196 -11.370) 31.854 11.438 ( 9.557 13.958 16.783) 23.830 11.864 ( -0.797 -0.548 -2.589) 2.764 12.587 ( -10.110 19.456 -7.554) 23.191 12.904 ( -8.694 3.533 -1.753) 9.546 13.874 ( -7.646 -6.792 -9.635) 14.051 14.589 ( -10.209 20.389 1.313) 22.840 16.935 ( -24.022 3.470 -6.520) 25.132 18.037 ( -6.374 -17.477 8.236) 20.344 18.224 ( 0.304 -15.995 0.068) 15.998 19.190 ( 47.970 -2.928 9.480) 48.985 ======================= Grid point 567 (206/891) ======================= q-point: (-0.29 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.177 ( -23.321 -8.054 -3.413) 24.907 10.593 ( -23.117 24.161 -9.205) 34.682 11.647 ( -18.287 19.072 10.192) 28.320 11.864 ( 1.695 0.124 8.094) 8.271 12.618 ( -11.585 11.394 0.774) 16.268 12.670 ( 4.629 -8.983 -13.665) 16.996 13.764 ( 5.249 -8.563 -9.002) 13.488 14.609 ( -15.024 27.018 -0.406) 30.917 16.403 ( -27.734 -15.010 -1.775) 31.585 17.782 ( -10.515 -5.573 1.514) 11.996 18.118 ( -0.363 -9.583 1.829) 9.763 20.049 ( 50.717 -2.933 9.235) 51.634 ======================= Grid point 568 (207/891) ======================= q-point: (-0.24 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.607 ( -32.532 -8.192 -1.813) 33.596 10.314 ( -31.051 18.325 -8.288) 36.995 11.246 ( -47.353 16.282 3.020) 50.165 11.903 ( -2.680 2.957 9.283) 10.105 12.283 ( -9.482 -16.747 -4.606) 19.789 13.089 ( 31.899 6.870 -5.019) 33.014 13.714 ( -1.937 -7.571 -4.520) 9.028 14.611 ( -16.621 29.016 -0.805) 33.449 15.755 ( -24.339 -23.143 0.477) 33.589 17.595 ( -8.626 1.666 -2.889) 9.248 18.010 ( -4.403 -6.483 3.840) 8.727 20.888 ( 47.707 -2.838 6.149) 48.186 ======================= Grid point 569 (208/891) ======================= q-point: (-0.19 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.923 ( -39.620 -4.752 1.225) 39.922 9.822 ( -41.606 11.028 -7.672) 43.721 10.515 ( -48.886 6.219 0.836) 49.287 11.847 ( -12.097 -4.784 6.815) 14.686 12.014 ( -2.639 -4.592 -3.939) 6.601 13.388 ( -18.470 -4.534 -10.879) 21.910 13.745 ( 24.014 7.697 6.369) 26.009 14.588 ( -15.897 16.453 -0.293) 22.880 15.229 ( -7.821 -17.680 0.616) 19.342 17.510 ( -3.642 5.714 -7.878) 10.391 17.874 ( -6.533 -5.157 8.851) 12.150 21.644 ( 42.967 -3.202 1.529) 43.113 ======================= Grid point 570 (209/891) ======================= q-point: (-0.14 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.203 ( -44.310 2.384 5.941) 44.770 9.040 ( -56.507 4.837 -4.345) 56.880 9.802 ( -36.002 -2.509 -2.086) 36.149 11.476 ( -23.628 -6.403 -0.977) 24.500 12.017 ( 0.469 3.021 2.687) 4.070 12.806 ( -41.729 2.368 -3.550) 41.947 14.133 ( 7.837 6.178 0.106) 9.980 14.256 ( -22.860 -5.902 -1.279) 23.644 15.323 ( 21.599 1.050 1.410) 21.670 17.501 ( -2.534 8.568 -13.097) 15.855 17.804 ( 2.159 -6.414 16.987) 18.285 22.287 ( 37.393 -4.313 -4.259) 37.881 ======================= Grid point 571 (210/891) ======================= q-point: (-0.10 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.532 ( -46.232 12.823 12.307) 49.531 8.030 ( -63.106 1.089 0.466) 63.117 9.216 ( -26.706 -6.706 -5.006) 27.986 10.893 ( -40.640 -1.173 -4.769) 40.936 12.048 ( -19.831 3.832 2.998) 20.420 12.123 ( -26.086 11.845 0.754) 28.659 13.710 ( -17.242 -25.371 -0.229) 30.676 14.297 ( -7.712 24.128 -2.008) 25.410 15.680 ( 12.163 1.425 -0.486) 12.256 17.539 ( 6.226 5.841 -14.288) 16.644 17.970 ( 17.337 -7.271 22.969) 29.682 22.796 ( 31.359 -6.232 -10.978) 33.804 ======================= Grid point 572 (211/891) ======================= q-point: (-0.05 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.985 ( -45.532 24.388 19.305) 55.142 6.970 ( -63.205 2.006 5.853) 63.507 8.730 ( -20.216 -6.356 -6.834) 22.266 10.035 ( -60.931 8.701 -7.495) 62.004 11.458 ( -42.813 16.987 -0.575) 46.064 12.175 ( 1.595 5.065 6.386) 8.305 13.190 ( -15.457 -22.352 0.239) 27.177 14.388 ( -8.253 24.021 -0.569) 25.406 15.677 ( -14.340 4.055 0.213) 14.904 17.716 ( 15.562 0.206 -20.518) 25.753 18.413 ( 33.870 -10.472 30.420) 46.714 23.154 ( 25.182 -8.643 -18.199) 32.249 ======================= Grid point 579 (212/891) ======================= q-point: ( 0.29 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.064 ( -0.000 40.692 23.171) 46.827 5.751 ( -0.000 52.847 1.080) 52.858 8.532 ( 0.000 15.194 -2.293) 15.366 10.573 ( 0.000 65.244 -13.668) 66.660 10.717 ( -0.000 47.139 -1.376) 47.159 12.266 ( -0.000 -5.331 12.858) 13.919 12.441 ( 0.000 -1.165 -3.474) 3.665 14.833 ( -0.000 13.336 2.415) 13.553 15.171 ( 0.000 33.480 -5.945) 34.004 16.876 ( 0.000 -23.643 -20.096) 31.030 19.212 ( -0.000 -34.601 21.717) 40.851 23.621 ( 0.000 -15.243 -13.979) 20.683 ======================= Grid point 580 (213/891) ======================= q-point: ( 0.33 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.571 ( 4.763 39.940 20.981) 45.366 6.467 ( 22.736 49.044 -0.296) 54.059 8.743 ( 7.361 17.627 -2.690) 19.291 10.946 ( 3.392 31.842 -21.894) 38.791 11.339 ( 2.308 55.776 -0.438) 55.826 12.293 ( -0.596 6.912 13.508) 15.186 12.576 ( 17.688 -2.331 -1.933) 17.945 14.852 ( -12.349 17.955 1.003) 21.815 15.508 ( 4.791 17.784 -5.092) 19.109 16.631 ( 5.234 -18.928 -12.716) 23.396 18.953 ( -1.966 -28.054 20.245) 34.651 23.308 ( -12.458 -16.772 -14.426) 25.389 ======================= Grid point 581 (214/891) ======================= q-point: ( 0.38 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.153 ( 11.084 36.664 19.417) 42.943 7.409 ( 33.890 42.685 -3.221) 54.598 9.120 ( 14.438 23.845 -3.912) 28.149 11.221 ( 4.487 23.942 -16.938) 29.669 11.730 ( 3.096 17.253 -9.073) 19.737 12.534 ( 0.748 31.410 12.138) 33.682 12.951 ( 28.541 -1.888 -1.232) 28.629 14.798 ( -14.949 17.348 0.138) 22.901 15.553 ( -3.693 -3.949 -2.362) 5.900 16.674 ( 13.456 -0.414 -6.382) 14.898 18.747 ( -2.341 -19.471 19.081) 27.362 22.784 ( -22.621 -18.307 -15.146) 32.806 ======================= Grid point 582 (215/891) ======================= q-point: ( 0.43 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.783 ( 15.927 31.724 16.678) 39.220 8.372 ( 35.684 33.638 -6.679) 49.492 9.670 ( 18.184 33.926 -5.127) 38.832 11.456 ( 5.597 16.591 -11.547) 20.975 11.820 ( 4.150 -0.127 -9.754) 10.600 12.890 ( 0.499 28.025 3.559) 28.255 13.463 ( 32.033 -1.348 -0.159) 32.062 14.695 ( -11.653 10.678 1.538) 15.880 15.428 ( -5.740 -1.327 3.272) 6.739 16.932 ( 12.597 7.886 -4.652) 15.573 18.622 ( -1.624 -12.014 18.027) 21.725 22.092 ( -29.909 -20.516 -15.587) 39.477 ======================= Grid point 583 (216/891) ======================= q-point: ( 0.48 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.410 ( 18.227 25.783 12.916) 34.114 9.201 ( 31.326 24.555 -10.196) 41.088 10.316 ( 14.019 40.786 -6.396) 43.600 11.668 ( 5.272 12.867 -4.713) 14.682 11.869 ( 9.726 -2.253 -11.939) 15.563 13.074 ( -3.365 13.056 -0.760) 13.504 13.902 ( 21.064 -7.722 1.917) 22.517 14.771 ( 11.733 11.038 4.618) 16.758 15.362 ( -9.350 9.452 5.397) 14.349 17.193 ( 8.600 11.075 -3.985) 14.577 18.565 ( -0.720 -8.243 16.446) 18.411 21.275 ( -34.126 -23.716 -15.272) 44.275 ======================= Grid point 584 (217/891) ======================= q-point: ( 0.52 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.975 ( 17.457 19.074 8.391) 27.184 9.859 ( 25.250 19.859 -12.349) 34.416 10.799 ( 2.557 30.573 -5.395) 31.150 11.802 ( 1.830 6.632 -4.697) 8.330 12.134 ( 17.197 15.370 -10.392) 25.297 13.052 ( -6.659 2.969 -1.078) 7.371 14.087 ( 13.390 -10.248 8.139) 18.724 15.284 ( -16.550 38.332 2.479) 41.825 15.337 ( 35.431 -11.264 6.054) 37.669 17.412 ( 4.884 12.543 -3.360) 13.874 18.529 ( -0.527 -8.042 14.104) 16.244 20.381 ( -35.015 -27.804 -13.757) 46.780 ======================= Grid point 585 (218/891) ======================= q-point: ( 0.57 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.412 ( 13.197 11.621 3.461) 17.921 10.377 ( 18.549 18.736 -12.385) 29.129 11.014 ( -1.318 17.402 0.138) 17.453 11.873 ( 1.310 6.162 -6.230) 8.860 12.540 ( 9.125 21.902 -9.094) 25.410 12.949 ( -5.207 -0.134 -2.274) 5.683 14.299 ( 15.428 -2.153 12.560) 20.010 15.146 ( -26.651 23.635 1.276) 35.644 16.102 ( 45.290 4.177 4.096) 45.666 17.578 ( 2.514 10.266 -2.534) 10.869 18.473 ( -1.338 -9.142 11.223) 14.537 19.470 ( -31.903 -31.905 -10.643) 46.358 ======================= Grid point 586 (219/891) ======================= q-point: ( 0.62 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.656 ( 5.385 4.354 -0.625) 6.952 10.779 ( 10.447 21.059 -11.198) 26.038 11.166 ( 2.499 11.739 6.168) 13.495 11.905 ( -1.950 4.338 -5.429) 7.218 12.777 ( 2.335 13.086 -5.498) 14.385 12.877 ( -0.446 -2.121 -4.243) 4.764 14.630 ( 8.503 16.067 11.169) 21.335 14.846 ( -34.343 21.644 -3.013) 40.706 16.936 ( 43.685 6.212 2.034) 44.171 17.659 ( 1.174 -2.449 -0.259) 2.728 18.376 ( -4.154 -8.800 7.566) 12.327 18.660 ( -19.284 -31.346 -4.954) 37.135 ======================= Grid point 587 (220/891) ======================= q-point: (-0.33 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.670 ( -5.130 -0.765 -2.281) 5.666 11.052 ( -1.236 25.230 -13.576) 28.677 11.404 ( 10.477 8.592 13.816) 19.351 11.864 ( -2.482 -0.209 -2.811) 3.755 12.737 ( -6.583 -3.261 -7.268) 10.334 12.990 ( 9.071 5.207 -0.270) 10.462 14.346 ( -42.278 15.867 -5.001) 45.434 14.955 ( -1.982 28.475 4.591) 28.911 17.312 ( -22.502 -5.995 -6.143) 24.084 17.693 ( 29.502 -17.124 3.374) 34.278 18.168 ( -5.884 -7.999 4.578) 10.935 18.495 ( 24.575 -10.548 4.765) 27.165 ======================= Grid point 588 (221/891) ======================= q-point: (-0.29 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.459 ( -16.460 -2.886 -1.595) 16.787 11.116 ( -14.136 23.134 -13.671) 30.363 11.761 ( 12.553 6.844 8.612) 16.691 11.850 ( 3.965 0.580 9.221) 10.054 12.517 ( -5.423 -13.459 -8.168) 16.651 13.162 ( -7.059 16.767 0.367) 18.196 13.737 ( -29.512 -1.396 -7.101) 30.387 15.146 ( -12.166 33.168 0.831) 35.339 16.664 ( -26.109 -27.481 -1.001) 37.919 17.860 ( 0.130 0.154 -0.900) 0.922 18.036 ( -1.547 -7.634 2.997) 8.346 19.154 ( 51.327 -5.528 5.673) 51.935 ======================= Grid point 589 (222/891) ======================= q-point: (-0.24 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.062 ( -26.431 -2.145 0.474) 26.522 10.931 ( -25.027 15.106 -9.304) 30.678 11.797 ( -5.116 1.527 -9.990) 11.327 12.094 ( -0.923 -5.410 20.406) 21.131 12.320 ( -5.065 -1.655 -3.246) 6.240 12.883 ( -20.714 11.151 -3.231) 23.746 13.580 ( 8.541 -4.904 -2.509) 10.163 15.212 ( -16.877 31.716 -0.779) 35.935 15.936 ( -26.598 -28.728 0.563) 39.155 17.755 ( -9.269 0.537 -1.001) 9.338 18.003 ( 0.607 -3.378 2.669) 4.348 20.014 ( 52.166 -4.106 2.073) 52.368 ======================= Grid point 590 (223/891) ======================= q-point: (-0.19 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.547 ( -33.903 1.545 3.560) 34.124 10.506 ( -33.063 4.638 -5.473) 33.832 11.355 ( -42.673 -3.941 -10.010) 44.008 11.924 ( -5.374 -11.524 -2.355) 12.931 12.140 ( -12.803 9.853 10.085) 19.045 13.146 ( 28.445 2.371 -4.436) 28.886 13.656 ( 0.426 2.653 5.539) 6.156 15.203 ( -31.001 10.808 0.213) 32.831 15.223 ( -10.836 -10.680 0.016) 15.214 17.613 ( -6.793 1.403 -3.090) 7.594 17.966 ( -4.243 -1.189 5.501) 7.048 20.831 ( 48.086 -3.814 -2.786) 48.317 ======================= Grid point 591 (224/891) ======================= q-point: (-0.14 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.990 ( -38.684 8.334 7.713) 40.316 9.876 ( -40.716 -2.628 -2.539) 40.879 10.443 ( -47.927 -10.441 -6.314) 49.455 11.703 ( -10.925 -4.308 -5.732) 13.068 12.118 ( -4.971 8.037 5.246) 10.809 13.354 ( -11.811 6.969 -12.041) 18.250 13.836 ( 14.474 -4.297 13.037) 19.948 14.597 ( -16.582 -13.776 -0.018) 21.558 15.241 ( -6.195 17.784 2.255) 18.967 17.547 ( -1.174 2.191 -5.758) 6.272 17.876 ( -7.574 -1.130 10.510) 13.004 21.542 ( 42.391 -4.589 -8.442) 43.467 ======================= Grid point 592 (225/891) ======================= q-point: (-0.10 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.471 ( -40.886 17.795 12.793) 46.389 9.027 ( -54.191 -5.201 2.020) 54.478 9.600 ( -33.483 -13.061 -6.901) 36.597 11.394 ( -21.847 2.004 -9.653) 23.969 12.147 ( -2.195 6.498 4.945) 8.455 12.993 ( -38.017 17.075 -3.560) 41.827 13.668 ( -10.264 -28.516 0.706) 30.315 14.593 ( 2.494 16.723 -0.074) 16.908 15.420 ( 12.372 6.230 5.016) 14.733 17.559 ( 0.180 5.060 -11.326) 12.407 17.801 ( -0.656 -6.209 20.926) 21.837 22.117 ( 35.968 -6.333 -14.626) 39.341 ======================= Grid point 593 (226/891) ======================= q-point: (-0.05 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.049 ( -41.300 27.893 17.872) 52.944 8.023 ( -58.290 -3.354 6.598) 58.758 8.985 ( -22.883 -10.688 -7.888) 26.460 10.913 ( -36.813 9.105 -13.350) 40.204 12.187 ( -5.127 6.349 6.400) 10.371 12.474 ( -40.434 21.901 -0.344) 45.986 13.202 ( -12.468 -23.876 -0.596) 26.942 14.736 ( -6.352 19.829 -1.283) 20.861 15.718 ( 12.008 1.768 1.507) 12.230 17.549 ( -0.686 4.570 -11.927) 12.792 17.947 ( 18.601 -12.116 27.849) 35.614 22.539 ( 29.346 -8.688 -20.942) 37.084 ======================= Grid point 601 (227/891) ======================= q-point: ( 0.33 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.995 ( -0.000 40.330 16.089) 43.421 6.750 ( -0.000 47.459 1.830) 47.495 8.829 ( -0.000 16.350 -1.354) 16.406 11.154 ( 0.000 30.445 -24.480) 39.066 11.697 ( 0.000 21.620 -7.006) 22.727 12.387 ( 0.000 -2.303 -2.833) 3.651 12.550 ( -0.000 32.640 17.408) 36.992 15.112 ( -0.000 13.284 1.853) 13.413 15.614 ( 0.000 6.679 -3.543) 7.561 16.381 ( 0.000 -7.752 -7.543) 10.816 18.789 ( -0.000 -20.658 16.854) 26.661 23.191 ( 0.000 -19.088 -13.929) 23.630 ======================= Grid point 602 (228/891) ======================= q-point: ( 0.38 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.461 ( 3.503 38.128 14.354) 40.891 7.368 ( 18.526 42.097 0.294) 45.994 9.089 ( 11.267 19.197 -1.323) 22.298 11.349 ( 0.468 23.903 -22.979) 33.160 11.779 ( -0.055 4.228 -7.596) 8.693 12.495 ( 16.207 -2.649 -3.640) 16.820 12.970 ( -0.322 38.140 12.302) 40.076 15.131 ( -11.263 5.340 0.920) 12.499 15.539 ( 0.528 -10.844 1.947) 11.030 16.513 ( 8.928 16.415 -3.579) 19.026 18.671 ( -0.929 -12.368 14.327) 18.949 22.842 ( -12.144 -20.956 -14.006) 27.978 ======================= Grid point 603 (229/891) ======================= q-point: ( 0.43 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.958 ( 7.813 33.715 13.233) 37.052 8.139 ( 27.419 33.206 -3.147) 43.178 9.596 ( 22.556 26.570 -1.532) 34.887 11.481 ( 1.934 13.519 -19.035) 23.427 11.777 ( -0.307 2.553 -7.681) 8.100 12.814 ( 24.262 -2.457 -6.212) 25.165 13.318 ( 0.011 25.992 8.466) 27.336 14.854 ( -11.189 -16.068 3.548) 19.899 15.574 ( 0.352 10.647 4.788) 11.679 16.857 ( 8.965 21.369 -1.469) 23.220 18.606 ( -1.493 -6.333 12.593) 14.175 22.282 ( -22.560 -22.841 -14.132) 35.076 ======================= Grid point 604 (230/891) ======================= q-point: ( 0.48 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.466 ( 11.212 27.867 11.064) 32.011 8.886 ( 29.077 23.395 -6.577) 37.895 10.334 ( 26.707 35.319 -2.366) 44.343 11.573 ( 7.589 2.975 -13.973) 16.177 11.783 ( -0.407 5.673 -7.664) 9.544 13.128 ( 13.009 0.032 -8.322) 15.443 13.577 ( 9.444 7.832 8.563) 14.962 14.589 ( 1.283 -19.107 6.446) 20.206 15.733 ( -3.903 23.134 4.771) 23.941 17.199 ( 6.256 21.849 -0.441) 22.731 18.567 ( -2.038 -4.343 11.300) 12.276 21.545 ( -30.541 -25.139 -13.929) 41.938 ======================= Grid point 605 (231/891) ======================= q-point: ( 0.52 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.944 ( 12.540 20.974 7.729) 25.630 9.540 ( 27.913 16.745 -8.307) 33.594 10.996 ( 8.450 29.064 -4.813) 30.648 11.814 ( 8.624 7.542 -11.242) 16.051 11.851 ( 17.976 9.723 -4.714) 20.974 13.166 ( -3.229 -0.887 -5.624) 6.545 13.820 ( 11.513 -4.979 11.594) 17.081 14.662 ( 26.499 -16.414 4.707) 31.525 15.909 ( -9.563 32.613 3.593) 34.176 17.483 ( 2.858 20.165 -0.519) 20.374 18.516 ( -2.484 -6.177 10.221) 12.198 20.673 ( -35.541 -27.873 -13.056) 47.016 ======================= Grid point 606 (232/891) ======================= q-point: ( 0.57 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.337 ( 11.163 13.276 3.686) 17.733 10.115 ( 25.501 13.548 -7.464) 29.825 11.194 ( -1.810 12.601 -2.818) 13.038 11.909 ( 1.378 10.697 -7.088) 12.906 12.441 ( 21.397 18.414 -8.170) 29.388 13.040 ( -5.924 -1.178 -5.652) 8.272 14.033 ( 17.434 -3.549 18.607) 25.744 15.091 ( 35.849 -15.057 1.554) 38.913 16.078 ( -11.821 38.872 2.215) 40.690 17.677 ( -0.660 15.634 -1.681) 15.738 18.426 ( -2.331 -10.462 9.193) 14.121 19.726 ( -36.673 -30.014 -11.068) 48.664 ======================= Grid point 607 (233/891) ======================= q-point: ( 0.62 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.597 ( 7.198 6.133 0.285) 9.460 10.630 ( 22.132 13.265 -5.015) 26.286 11.266 ( -0.151 7.972 0.606) 7.996 12.005 ( -2.013 12.000 -6.620) 13.852 12.692 ( 5.125 -3.181 -0.833) 6.089 12.957 ( -4.784 5.121 -9.291) 11.637 14.543 ( 25.666 15.889 15.956) 34.144 15.417 ( 5.787 1.228 -0.432) 5.932 16.371 ( 12.316 22.730 2.170) 25.943 17.736 ( -5.137 6.265 -4.156) 9.105 18.296 ( -1.018 -15.782 7.564) 17.530 18.820 ( -31.224 -25.768 -6.670) 41.029 ======================= Grid point 608 (234/891) ======================= q-point: ( 0.67 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.702 ( 0.930 1.563 -1.080) 2.116 11.083 ( 16.231 14.710 -7.764) 23.240 11.375 ( 5.130 5.331 7.132) 10.276 11.982 ( -9.180 6.299 -3.846) 11.779 12.762 ( 5.413 -3.882 -3.755) 7.647 12.849 ( -2.632 -1.769 -1.750) 3.623 15.078 ( -3.127 14.380 1.704) 14.814 15.366 ( -17.414 36.578 4.444) 40.754 16.860 ( 31.702 -21.853 2.784) 38.605 17.571 ( -8.700 2.160 -8.413) 12.293 18.153 ( 3.485 -16.554 4.110) 17.409 18.268 ( -12.770 -7.352 2.112) 14.886 ======================= Grid point 609 (235/891) ======================= q-point: (-0.29 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.650 ( -7.744 0.079 -0.360) 7.753 11.340 ( 4.259 12.084 -18.452) 22.465 11.653 ( 13.477 6.940 15.781) 21.883 11.842 ( -6.919 -2.628 2.328) 7.758 12.557 ( -12.635 -5.643 -3.951) 14.391 13.042 ( 16.480 0.570 -0.327) 16.493 14.603 ( -49.486 9.952 -2.019) 50.517 15.663 ( -8.485 37.077 2.094) 38.093 16.639 ( -6.878 -41.154 0.030) 41.725 17.800 ( 10.020 12.645 -4.048) 16.634 18.070 ( -6.934 -4.537 1.687) 8.456 18.314 ( 36.094 -10.835 4.419) 37.943 ======================= Grid point 610 (236/891) ======================= q-point: (-0.24 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.441 ( -17.564 1.139 1.700) 17.682 11.357 ( -11.733 10.403 -13.496) 20.689 11.685 ( 1.900 -10.038 -9.757) 14.127 11.985 ( 9.419 -7.966 15.395) 19.728 12.361 ( -4.036 9.015 4.068) 10.682 13.329 ( 15.477 -1.621 -1.409) 15.625 13.754 ( -54.557 5.535 2.005) 54.874 15.667 ( -13.542 -2.434 -2.544) 13.992 16.170 ( -21.299 1.686 1.967) 21.456 17.903 ( -7.868 0.436 -1.112) 7.958 17.955 ( 3.307 -0.493 2.232) 4.019 19.073 ( 53.064 -3.580 -1.116) 53.197 ======================= Grid point 611 (237/891) ======================= q-point: (-0.19 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.104 ( -25.847 4.554 4.513) 26.630 11.004 ( -27.348 -5.377 -2.478) 27.981 11.578 ( -1.651 -8.972 -24.049) 25.721 11.933 ( -5.362 -5.861 3.444) 8.658 12.598 ( -3.836 9.999 17.240) 20.296 12.900 ( -19.020 -7.839 -1.881) 20.658 13.651 ( 7.565 11.415 5.415) 14.726 15.202 ( -15.431 -31.866 -1.538) 35.439 15.945 ( -27.506 29.307 1.303) 40.214 17.744 ( -8.682 -0.524 -2.229) 8.979 18.019 ( 0.545 2.183 4.418) 4.958 19.931 ( 51.629 -2.714 -6.023) 52.050 ======================= Grid point 612 (238/891) ======================= q-point: (-0.14 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.708 ( -31.097 10.489 7.889) 33.753 10.388 ( -31.486 -14.037 -1.002) 34.488 11.068 ( -38.436 -13.219 -14.124) 43.029 11.778 ( -5.809 -2.864 -2.302) 6.874 12.353 ( -12.042 5.704 2.237) 13.512 13.122 ( 21.233 -2.601 -2.802) 21.574 13.899 ( 2.037 13.829 13.500) 19.433 14.619 ( -14.609 -28.235 0.076) 31.791 15.773 ( -24.615 24.972 2.550) 35.156 17.599 ( -6.272 -0.510 -3.004) 6.973 18.032 ( -4.786 3.692 6.443) 8.835 20.710 ( 46.560 -3.563 -11.197) 48.020 ======================= Grid point 613 (239/891) ======================= q-point: (-0.10 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.331 ( -33.475 18.851 11.725) 40.167 9.682 ( -34.355 -15.594 0.569) 37.732 10.129 ( -46.743 -14.728 -6.274) 49.408 11.641 ( -9.414 2.560 -8.894) 13.201 12.295 ( -4.896 7.123 0.007) 8.643 13.299 ( 7.837 -9.403 -11.251) 16.625 13.800 ( -25.628 -3.520 4.492) 26.255 14.500 ( 14.638 3.934 13.059) 20.007 15.632 ( -16.905 16.405 5.973) 24.301 17.516 ( -0.565 -1.818 -3.599) 4.072 17.973 ( -9.439 4.009 9.579) 14.033 21.357 ( 40.152 -5.549 -16.555) 43.784 ======================= Grid point 614 (240/891) ======================= q-point: (-0.05 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.032 ( -34.414 28.386 15.507) 47.229 8.882 ( -45.706 -11.849 6.093) 47.608 9.287 ( -31.817 -11.483 -7.914) 34.739 11.415 ( -19.097 7.530 -13.510) 24.574 12.305 ( -2.198 6.651 1.638) 7.194 13.127 ( -5.695 -22.757 -3.653) 23.741 13.334 ( -32.418 16.068 -4.588) 36.471 14.885 ( 10.455 12.629 6.206) 17.530 15.600 ( -1.252 5.470 11.124) 12.460 17.523 ( 5.424 -2.463 -6.381) 8.729 17.877 ( -8.701 1.081 17.324) 19.416 21.850 ( 33.312 -8.266 -21.789) 40.654 ======================= Grid point 623 (241/891) ======================= q-point: ( 0.38 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.846 ( -0.000 36.837 10.358) 38.265 7.614 ( -0.000 38.349 2.129) 38.408 9.163 ( -0.000 18.538 -0.412) 18.543 11.480 ( 0.000 16.754 -22.582) 28.118 11.791 ( 0.000 5.259 -9.398) 10.770 12.307 ( 0.000 -4.267 -2.037) 4.728 13.354 ( -0.000 30.401 6.962) 31.188 15.244 ( -0.000 -33.979 7.367) 34.768 15.371 ( -0.000 11.926 1.030) 11.970 16.701 ( -0.000 33.995 -0.528) 33.999 18.637 ( -0.000 -4.979 10.817) 11.908 22.683 ( 0.000 -23.280 -13.660) 26.992 ======================= Grid point 624 (242/891) ======================= q-point: ( 0.43 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.243 ( 2.397 33.058 9.077) 34.365 8.092 ( 14.229 30.724 0.300) 33.861 9.489 ( 15.663 22.208 0.012) 27.176 11.508 ( -0.685 4.908 -16.657) 17.379 11.824 ( -1.480 10.905 -12.572) 16.708 12.399 ( 16.198 -4.671 -3.485) 17.214 13.593 ( -2.031 18.243 3.580) 18.702 14.827 ( -9.730 -30.834 9.818) 33.791 15.582 ( 8.973 9.013 2.666) 12.994 17.083 ( 0.870 38.807 2.097) 38.873 18.636 ( -1.348 -0.201 8.486) 8.595 22.296 ( -11.926 -25.294 -13.560) 31.079 ======================= Grid point 625 (243/891) ======================= q-point: ( 0.48 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.635 ( 5.217 27.435 8.323) 29.140 8.655 ( 21.548 21.471 -2.888) 30.556 10.132 ( 30.189 27.811 0.356) 41.048 11.473 ( 0.774 -0.758 -12.547) 12.594 11.861 ( -2.179 11.245 -11.381) 16.147 12.693 ( 24.172 -5.188 -6.336) 25.521 13.684 ( -2.926 7.931 4.212) 9.445 14.434 ( -5.963 -27.183 10.354) 29.693 15.858 ( 9.959 12.030 3.210) 15.944 17.471 ( -1.867 38.806 3.414) 39.001 18.630 ( -3.286 0.990 6.962) 7.762 21.698 ( -22.482 -27.268 -13.347) 37.777 ======================= Grid point 626 (244/891) ======================= q-point: ( 0.52 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.006 ( 7.331 20.613 6.478) 22.817 9.215 ( 25.095 14.422 -4.613) 29.309 10.975 ( 28.802 28.914 0.043) 40.812 11.492 ( 12.039 -0.045 -9.707) 15.465 11.903 ( -1.455 11.135 -9.023) 14.405 12.989 ( 16.902 -6.373 -8.394) 19.919 13.728 ( 1.805 0.404 10.897) 11.053 14.204 ( 6.499 -22.754 6.774) 24.615 16.171 ( 8.739 16.820 2.675) 19.143 17.785 ( -5.909 35.557 3.488) 36.213 18.579 ( -5.547 -0.849 5.952) 8.180 20.919 ( -30.807 -29.382 -12.758) 44.443 ======================= Grid point 627 (245/891) ======================= q-point: ( 0.57 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.319 ( 7.728 13.023 3.620) 15.570 9.763 ( 26.714 10.339 -3.833) 28.900 11.289 ( -0.101 5.593 -2.220) 6.019 11.971 ( 4.120 8.412 -4.404) 10.350 12.136 ( 33.383 26.878 -10.187) 44.053 13.040 ( 1.297 -5.185 -7.087) 8.877 13.811 ( 7.832 -9.561 20.903) 24.284 14.343 ( 29.949 -15.200 -0.832) 33.596 16.495 ( 5.082 23.346 1.790) 23.960 17.974 ( -10.672 28.369 2.547) 30.417 18.460 ( -7.619 -4.191 5.161) 10.112 20.009 ( -35.575 -31.200 -11.452) 48.684 ======================= Grid point 628 (246/891) ======================= q-point: ( 0.62 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.542 ( 6.520 6.179 1.056) 9.045 10.300 ( 26.714 8.154 -1.666) 27.981 11.319 ( 0.158 3.039 0.147) 3.047 12.113 ( 3.044 12.947 -5.439) 14.369 12.606 ( 2.242 0.820 -3.678) 4.385 13.038 ( 0.187 8.515 -10.154) 13.253 14.160 ( 35.996 -0.455 22.796) 42.610 14.784 ( 36.216 -13.766 -3.933) 38.943 16.800 ( -2.283 31.626 1.564) 31.747 17.948 ( -16.451 7.671 0.194) 18.153 18.288 ( -9.345 -2.809 3.669) 10.425 19.079 ( -32.330 -28.335 -8.109) 43.748 ======================= Grid point 629 (247/891) ======================= q-point: ( 0.67 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.673 ( 4.104 1.940 -0.076) 4.540 10.805 ( 24.479 5.735 -1.641) 25.195 11.369 ( 2.351 2.178 3.891) 5.041 12.224 ( -7.789 13.021 -5.176) 16.031 12.551 ( 6.680 -8.395 0.648) 10.748 12.981 ( -9.693 2.481 -4.566) 10.998 15.005 ( 30.350 18.163 11.070) 37.062 15.241 ( 42.611 -15.404 -3.038) 45.412 16.938 ( -28.575 28.902 2.374) 40.712 17.572 ( -5.872 -20.474 -5.806) 22.077 18.120 ( -10.382 -0.743 2.352) 10.671 18.446 ( -16.807 -10.125 -1.445) 19.674 ======================= Grid point 630 (248/891) ======================= q-point: (-0.29 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.720 ( -0.182 0.633 0.282) 0.716 11.170 ( 14.882 0.674 -10.544) 18.251 11.510 ( 10.816 0.296 13.752) 17.498 12.059 ( -15.137 2.012 -0.875) 15.295 12.723 ( 8.090 3.013 -4.266) 9.629 12.798 ( -5.288 -0.919 1.445) 5.558 15.211 ( -9.355 -0.651 -1.033) 9.434 16.040 ( 38.072 -11.162 3.654) 39.842 16.305 ( -37.283 7.257 -2.030) 38.037 17.681 ( 17.573 9.343 -2.464) 20.054 17.952 ( -4.856 -6.573 3.167) 8.764 18.182 ( -10.110 -1.699 -1.084) 10.309 ======================= Grid point 631 (249/891) ======================= q-point: (-0.24 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.674 ( -7.159 1.589 1.802) 7.552 11.293 ( 8.954 -3.012 -16.093) 18.661 11.698 ( -1.118 -16.899 14.191) 22.096 11.841 ( -2.627 4.539 0.643) 5.284 12.619 ( -10.562 11.681 2.553) 15.954 13.030 ( 16.828 -0.900 -1.601) 16.928 14.665 ( -47.843 -4.791 4.177) 48.263 15.571 ( -5.227 -40.478 -6.093) 41.267 16.681 ( -6.905 39.923 3.503) 40.667 17.884 ( 4.593 -8.696 3.799) 10.543 18.024 ( -6.793 1.085 -2.740) 7.405 18.228 ( 38.607 5.665 -3.618) 39.188 ======================= Grid point 632 (250/891) ======================= q-point: (-0.19 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.519 ( -15.355 4.337 4.085) 16.471 11.284 ( -14.240 -22.822 0.303) 26.902 11.357 ( 2.136 -1.102 -16.625) 16.798 11.922 ( 2.359 -2.820 4.410) 5.742 12.689 ( 0.569 13.164 7.906) 15.366 13.139 ( -6.152 -14.446 -2.220) 15.858 13.908 ( -27.107 4.601 10.469) 29.420 15.083 ( -9.040 -33.542 -4.768) 35.065 16.716 ( -27.370 30.392 3.848) 41.081 17.851 ( -4.323 -2.311 -2.762) 5.627 18.028 ( 3.282 5.248 3.154) 6.947 19.018 ( 49.950 0.966 -7.566) 50.529 ======================= Grid point 633 (251/891) ======================= q-point: (-0.14 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.282 ( -21.578 8.902 6.652) 24.271 10.695 ( -25.697 -21.791 1.029) 33.708 11.283 ( -6.820 -8.198 -19.565) 22.282 11.865 ( -6.753 -3.467 2.331) 7.940 12.598 ( -19.083 -14.594 -1.606) 24.077 12.876 ( 6.069 3.905 5.956) 9.357 13.991 ( 7.254 14.547 13.691) 21.253 14.578 ( -12.808 -26.784 -3.073) 29.848 16.478 ( -29.163 19.289 5.671) 35.422 17.725 ( -8.529 2.109 -4.215) 9.745 18.146 ( -0.060 7.897 4.586) 9.132 19.831 ( 48.687 -1.407 -12.019) 50.168 ======================= Grid point 634 (252/891) ======================= q-point: (-0.10 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.032 ( -24.261 15.534 9.221) 30.248 10.024 ( -28.715 -19.993 0.231) 34.991 10.697 ( -37.307 -17.115 -7.062) 41.649 11.746 ( -4.278 1.593 -5.879) 7.443 12.379 ( -1.064 -1.289 -6.006) 6.234 12.981 ( 8.369 -11.343 -1.413) 14.167 14.082 ( -14.488 -9.662 -2.522) 17.596 14.413 ( 11.773 11.890 18.296) 24.793 16.182 ( -25.417 11.242 8.971) 29.204 17.583 ( -8.983 2.903 -4.416) 10.422 18.193 ( -5.917 8.483 5.570) 11.747 20.541 ( 43.369 -4.210 -16.460) 46.578 ======================= Grid point 635 (253/891) ======================= q-point: (-0.05 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.846 ( -24.420 24.232 11.685) 36.332 9.343 ( -30.043 -17.341 1.094) 34.706 9.834 ( -42.033 -11.726 -2.237) 43.695 11.658 ( -7.896 5.295 -11.009) 14.546 12.370 ( 0.617 2.033 -5.258) 5.672 12.909 ( 3.457 -20.567 -5.369) 21.536 13.778 ( -14.045 2.247 -7.152) 15.920 14.843 ( 12.712 15.805 19.486) 28.126 15.916 ( -19.080 4.613 14.291) 24.281 17.463 ( -4.930 0.704 -4.814) 6.927 18.152 ( -10.683 7.881 7.723) 15.359 21.103 ( 36.792 -7.636 -20.611) 42.857 ======================= Grid point 645 (254/891) ======================= q-point: ( 0.43 0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.562 ( -0.000 29.861 6.280) 30.515 8.253 ( -0.000 25.028 1.440) 25.069 9.562 ( -0.000 22.031 0.576) 22.038 11.483 ( 0.000 -0.996 -11.692) 11.734 11.930 ( 0.000 15.904 -17.921) 23.960 12.188 ( 0.000 -6.764 -1.341) 6.895 13.749 ( -0.000 8.868 0.330) 8.874 14.625 ( -0.000 -34.928 15.699) 38.294 15.587 ( -0.000 9.470 0.302) 9.475 17.518 ( -0.000 45.573 4.612) 45.806 18.691 ( -0.000 3.469 5.805) 6.762 22.094 ( 0.000 -27.369 -13.352) 30.453 ======================= Grid point 646 (255/891) ======================= q-point: ( 0.48 0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.862 ( 1.489 24.504 5.675) 25.196 8.565 ( 11.026 17.636 -0.265) 20.801 9.950 ( 18.991 23.496 0.916) 30.225 11.424 ( -0.590 -2.325 -8.693) 9.018 11.983 ( -2.804 12.497 -13.498) 18.608 12.269 ( 15.945 -5.142 -5.190) 17.539 13.784 ( -1.794 2.384 -0.234) 2.992 14.302 ( -5.375 -29.767 16.177) 34.303 15.764 ( 9.972 7.555 0.906) 12.543 17.964 ( -3.186 45.843 5.641) 46.298 18.727 ( -2.496 4.132 4.109) 6.339 21.671 ( -11.856 -28.977 -13.131) 33.951 ======================= Grid point 647 (256/891) ======================= q-point: ( 0.52 0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.129 ( 3.161 17.811 5.145) 18.807 8.957 ( 18.589 11.411 -1.820) 21.888 10.650 ( 34.692 23.074 1.017) 41.677 11.372 ( 0.423 -2.114 -6.207) 6.571 12.022 ( -2.054 12.452 -9.879) 16.027 12.532 ( 22.609 -6.575 -6.703) 24.481 13.760 ( -1.486 -1.003 3.401) 3.845 14.003 ( -3.976 -23.621 12.467) 27.004 16.058 ( 15.380 6.930 1.321) 16.921 18.326 ( -7.964 42.592 5.635) 43.695 18.705 ( -5.670 2.685 3.007) 6.957 21.041 ( -22.706 -30.158 -12.655) 39.814 ======================= Grid point 648 (257/891) ======================= q-point: ( 0.57 0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.346 ( 4.275 10.404 3.434) 11.761 9.406 ( 23.921 7.286 -1.132) 25.032 11.310 ( 2.315 3.515 0.425) 4.230 11.570 ( 39.588 12.296 -2.907) 41.556 12.122 ( 2.590 18.523 -9.611) 21.028 12.795 ( 17.020 -8.173 -5.894) 19.779 13.719 ( -2.403 -14.838 18.482) 23.823 13.872 ( 10.815 -7.607 -1.912) 13.360 16.420 ( 17.959 7.670 1.043) 19.556 18.526 ( -13.628 23.427 4.504) 27.474 18.631 ( -9.232 14.052 2.732) 17.034 20.235 ( -31.575 -30.824 -11.735) 45.659 ======================= Grid point 649 (258/891) ======================= q-point: ( 0.62 0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.500 ( 4.832 3.766 1.494) 6.305 9.898 ( 26.941 4.362 0.959) 27.309 11.334 ( 0.429 1.110 1.312) 1.771 12.076 ( 11.042 3.926 -0.946) 11.757 12.580 ( 13.575 21.274 -9.896) 27.107 12.948 ( 17.891 3.022 -8.837) 20.182 13.616 ( 11.165 -24.121 19.725) 33.100 14.169 ( 26.519 -1.420 0.291) 26.559 16.814 ( 18.557 7.993 0.542) 20.213 18.344 ( -17.459 -1.045 2.267) 17.637 18.678 ( -17.504 30.124 3.133) 34.981 19.315 ( -35.303 -30.372 -9.956) 47.622 ======================= Grid point 650 (259/891) ======================= q-point: (-0.33 -0.57 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.602 ( 5.160 -0.480 0.299) 5.191 10.396 ( 26.991 1.177 2.489) 27.131 11.365 ( 1.158 0.754 3.829) 4.071 12.273 ( 10.191 2.971 -1.441) 10.713 12.566 ( -12.136 1.328 -0.615) 12.224 13.161 ( -6.907 7.753 -6.442) 12.219 14.099 ( 58.568 -17.730 3.007) 61.266 14.681 ( 30.221 5.558 4.903) 31.117 17.179 ( 17.336 -1.049 -0.154) 17.369 17.883 ( -36.790 -2.142 -0.965) 36.865 18.478 ( -28.223 -6.473 -3.066) 29.117 18.643 ( -15.972 10.562 0.390) 19.153 ======================= Grid point 651 (260/891) ======================= q-point: (-0.29 -0.57 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.674 ( 4.764 -2.051 -0.062) 5.187 10.821 ( 21.951 -2.899 0.961) 22.163 11.417 ( 3.623 -1.900 7.648) 8.673 12.302 ( -10.603 -8.618 2.835) 13.955 12.514 ( 8.461 9.319 -3.820) 13.154 13.032 ( -11.399 4.910 0.315) 12.415 14.763 ( 40.627 -25.382 -10.501) 49.042 15.380 ( 34.950 9.709 9.007) 37.375 16.864 ( -27.835 -28.491 -4.886) 40.130 17.665 ( -0.556 23.904 3.172) 24.120 18.088 ( -12.103 -4.810 -0.616) 13.039 18.456 ( -20.863 13.438 -0.539) 24.822 ======================= Grid point 652 (261/891) ======================= q-point: (-0.24 -0.57 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.720 ( 2.312 -1.500 0.391) 2.784 11.050 ( 10.653 -5.624 -4.404) 12.826 11.494 ( 7.330 -12.162 12.463) 18.894 12.032 ( -12.360 -3.669 0.658) 12.909 12.764 ( 13.596 3.743 -2.750) 14.367 12.916 ( -10.373 8.754 3.698) 14.068 14.956 ( 17.390 -26.262 -9.228) 32.822 15.352 ( -32.223 -29.101 3.022) 43.523 16.810 ( 32.751 16.912 -2.384) 36.937 17.752 ( -8.251 -3.909 8.875) 12.733 18.061 ( 4.841 15.536 -4.437) 16.867 18.226 ( -17.562 11.836 -2.124) 21.285 ======================= Grid point 653 (262/891) ======================= q-point: (-0.19 0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.715 ( -3.094 0.557 1.743) 3.594 11.086 ( 4.580 -8.079 -6.974) 11.614 11.367 ( -6.167 -23.157 7.136) 25.005 11.912 ( -1.546 2.197 1.448) 3.052 12.872 ( -6.358 5.931 5.668) 10.379 12.979 ( 9.168 -3.702 -1.536) 10.006 14.457 ( -36.016 -18.822 5.656) 41.029 14.818 ( 1.294 -25.839 -7.539) 26.948 17.444 ( -20.801 22.476 6.191) 31.244 17.631 ( 28.788 -8.272 -3.039) 30.106 18.093 ( -3.579 9.474 -2.586) 10.452 18.410 ( 17.842 13.570 -3.089) 22.628 ======================= Grid point 654 (263/891) ======================= q-point: (-0.14 0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.634 ( -9.714 3.673 3.651) 11.008 10.854 ( -17.119 -21.075 4.475) 27.518 11.135 ( 3.376 -11.160 -12.493) 17.089 11.919 ( -1.735 -0.760 2.091) 2.821 12.687 ( -14.038 -21.711 1.896) 25.924 12.934 ( -4.224 -1.534 1.122) 4.632 14.095 ( -2.513 7.506 11.933) 14.320 14.504 ( -7.287 -19.569 -6.290) 21.808 17.090 ( -25.300 -1.283 8.027) 26.574 17.874 ( -2.470 9.640 -6.909) 12.115 18.263 ( 0.805 18.883 3.471) 19.216 18.996 ( 42.269 2.065 -9.361) 43.342 ======================= Grid point 655 (264/891) ======================= q-point: (-0.10 0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.499 ( -13.767 7.743 5.295) 16.659 10.302 ( -25.135 -17.748 3.691) 30.990 10.927 ( -12.293 -17.393 -10.612) 23.796 11.802 ( -6.248 -4.726 -2.155) 8.125 12.315 ( -3.345 -10.633 -2.105) 11.343 12.837 ( -2.076 -10.674 0.847) 10.907 14.165 ( -8.392 -9.190 -2.825) 12.762 14.401 ( 10.986 14.353 12.796) 22.146 16.670 ( -22.798 -5.800 9.249) 25.278 17.835 ( -11.325 12.141 -4.580) 17.223 18.407 ( -5.472 16.266 3.991) 17.620 19.706 ( 44.179 -2.670 -13.914) 46.395 ======================= Grid point 656 (265/891) ======================= q-point: (-0.05 0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.382 ( -13.366 12.890 6.108) 19.548 9.706 ( -29.084 -11.508 3.591) 31.484 10.327 ( -31.046 -16.305 -2.642) 35.166 11.718 ( 0.245 -0.112 -10.487) 10.491 12.272 ( 4.926 -3.859 -5.505) 8.334 12.666 ( -0.291 -17.909 -0.998) 17.939 13.949 ( -9.313 0.114 -5.572) 10.853 14.838 ( 14.789 16.119 16.747) 27.550 16.279 ( -18.482 -8.981 12.430) 24.016 17.709 ( -15.996 12.623 -3.026) 20.600 18.432 ( -9.421 12.390 4.318) 16.153 20.319 ( 39.241 -7.020 -17.365) 43.482 ======================= Grid point 667 (266/891) ======================= q-point: ( 0.48 0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.085 ( -0.000 19.349 4.471) 19.859 8.621 ( -0.000 12.483 0.257) 12.486 10.003 ( -0.000 20.833 0.862) 20.851 11.384 ( 0.000 -2.216 -5.436) 5.870 12.030 ( 0.000 -8.112 -0.618) 8.135 12.115 ( 0.000 14.611 -16.684) 22.177 13.798 ( 0.000 -0.867 -2.189) 2.354 14.125 ( -0.000 -27.516 18.800) 33.325 15.741 ( -0.000 6.135 -0.145) 6.137 18.464 ( -0.000 44.786 6.252) 45.220 18.805 ( -0.000 4.531 2.345) 5.102 21.441 ( 0.000 -29.414 -12.851) 32.098 ======================= Grid point 668 (267/891) ======================= q-point: ( 0.52 0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.265 ( 0.803 12.707 4.471) 13.494 8.804 ( 9.821 7.657 -0.450) 12.462 10.366 ( 20.283 16.556 0.436) 26.185 11.346 ( -0.625 -1.198 -2.538) 2.875 12.058 ( 9.765 -2.940 0.074) 10.198 12.208 ( 3.048 9.088 -13.899) 16.884 13.769 ( -0.872 -1.485 -1.423) 2.234 13.905 ( -3.806 -21.760 16.493) 27.568 15.882 ( 10.252 4.028 0.124) 11.016 18.816 ( -3.828 5.716 1.396) 7.019 18.866 ( -3.961 35.879 5.528) 36.518 21.013 ( -12.317 -27.383 -12.089) 32.368 ======================= Grid point 669 (268/891) ======================= q-point: ( 0.57 0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.388 ( 1.645 5.275 3.393) 6.485 9.100 ( 18.145 4.056 0.493) 18.599 10.988 ( 36.554 9.226 -0.453) 37.703 11.330 ( -0.250 0.302 0.574) 0.695 12.231 ( 1.611 14.097 -4.829) 14.988 12.359 ( 19.548 -6.412 -4.991) 21.170 13.690 ( -5.229 -15.917 12.379) 20.831 13.752 ( 1.068 -0.453 0.181) 1.174 16.152 ( 17.360 2.140 0.371) 17.495 18.746 ( -7.606 0.803 0.348) 7.657 19.097 ( -7.803 25.226 3.840) 26.682 20.423 ( -24.875 -19.065 -10.031) 32.907 ======================= Grid point 670 (269/891) ======================= q-point: (-0.38 -0.52 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.452 ( 3.056 -1.543 1.421) 3.706 9.494 ( 24.127 1.197 3.059) 24.349 11.342 ( 0.682 0.759 2.546) 2.743 11.705 ( 36.727 0.944 1.022) 36.753 12.413 ( 14.690 7.453 -9.408) 18.970 12.641 ( 13.316 2.162 0.931) 13.523 13.500 ( -5.474 -10.770 7.126) 14.026 13.848 ( 11.382 0.964 3.181) 11.858 16.495 ( 20.924 -0.424 0.243) 20.930 18.577 ( -11.985 -1.280 -0.452) 12.062 19.059 ( -10.315 -7.939 -2.110) 13.186 19.804 ( -36.113 10.567 -3.462) 37.787 ======================= Grid point 671 (270/891) ======================= q-point: (-0.33 -0.52 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.483 ( 5.235 -6.247 -0.386) 8.160 9.946 ( 26.922 -1.622 5.873) 27.602 11.374 ( 0.436 0.760 5.101) 5.176 12.103 ( 11.634 -1.453 1.994) 11.893 12.715 ( 6.463 -9.590 4.821) 12.529 12.999 ( 38.647 7.608 -15.312) 42.260 13.348 ( -6.157 -3.409 3.546) 7.881 14.230 ( 28.520 4.477 5.995) 29.485 16.807 ( 18.452 -9.017 -0.224) 20.538 18.292 ( -19.072 -4.814 -2.810) 19.870 18.585 ( -15.126 -26.536 -5.949) 31.119 19.451 ( -35.548 35.415 3.535) 50.303 ======================= Grid point 672 (271/891) ======================= q-point: (-0.29 -0.52 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.515 ( 7.660 -8.446 -1.787) 11.541 10.394 ( 25.658 -4.335 8.133) 27.262 11.394 ( -0.161 -2.105 6.987) 7.299 12.193 ( 4.672 -9.419 3.211) 10.993 12.662 ( -6.260 4.663 0.561) 7.826 13.235 ( -6.013 -1.965 7.515) 9.823 13.697 ( 46.965 -11.103 -20.393) 52.391 14.898 ( 37.056 9.487 7.058) 38.897 16.761 ( -4.349 -32.725 -2.489) 33.106 17.917 ( -9.833 -2.943 -2.386) 10.538 18.217 ( -10.224 -3.629 -3.470) 11.390 19.207 ( -35.189 32.924 4.323) 48.384 ======================= Grid point 673 (272/891) ======================= q-point: (-0.24 -0.52 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.568 ( 9.208 -8.418 -2.617) 12.747 10.758 ( 18.808 -6.040 8.892) 21.663 11.355 ( -0.647 -10.881 7.979) 13.508 12.101 ( -3.027 -11.129 3.168) 11.961 12.685 ( 1.778 8.542 -2.576) 9.097 13.138 ( -7.133 -1.191 8.098) 10.856 14.173 ( 33.855 -19.807 -18.747) 43.473 15.473 ( 4.699 -6.701 4.686) 9.431 16.312 ( 12.155 -21.640 -3.548) 25.072 17.815 ( -1.712 -8.454 3.451) 9.291 18.149 ( -1.003 11.192 -6.809) 13.139 18.941 ( -34.258 32.352 5.276) 47.415 ======================= Grid point 674 (273/891) ======================= q-point: (-0.19 -0.52 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.638 ( 8.325 -6.690 -2.540) 10.978 10.948 ( 6.647 -5.360 7.184) 11.159 11.192 ( -1.435 -24.082 6.664) 25.028 11.974 ( -3.362 -2.774 1.345) 4.562 12.822 ( 6.309 1.599 -0.547) 6.531 13.002 ( -6.218 -8.903 6.641) 12.729 14.337 ( 13.429 -15.106 -16.326) 25.982 14.927 ( -29.506 -22.360 4.789) 37.329 16.858 ( 45.507 -5.863 -4.944) 46.148 17.717 ( -2.475 -4.550 4.614) 6.937 18.216 ( -0.746 7.619 -7.822) 10.945 18.786 ( -24.311 36.061 7.168) 44.077 ======================= Grid point 675 (274/891) ======================= q-point: (-0.14 -0.52 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.687 ( 3.970 -3.970 -1.313) 5.766 10.888 ( -6.097 -26.759 7.724) 28.511 10.946 ( -1.012 -6.929 -1.054) 7.081 11.935 ( -0.678 -1.714 0.791) 2.006 12.664 ( -9.138 -25.638 3.946) 27.502 12.942 ( -0.018 -3.031 0.359) 3.052 14.274 ( -7.835 2.379 -0.022) 8.189 14.421 ( -5.770 -13.629 -3.582) 15.228 17.197 ( 4.337 -21.023 -0.675) 21.476 17.823 ( 14.705 5.355 -3.939) 16.138 18.346 ( 13.463 11.830 -4.330) 18.438 18.832 ( -14.074 30.938 6.446) 34.595 ======================= Grid point 676 (275/891) ======================= q-point: (-0.10 0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.677 ( -2.058 -1.161 0.515) 2.419 10.506 ( -13.743 -19.773 4.836) 24.561 10.810 ( -2.782 -14.047 -4.547) 15.025 11.835 ( -6.249 -11.164 -0.130) 12.795 12.293 ( -6.596 -13.140 1.616) 14.791 12.803 ( -6.711 -11.796 0.341) 13.576 14.167 ( -2.315 -8.611 3.411) 9.547 14.436 ( 4.751 16.476 -1.457) 17.209 16.874 ( -13.600 -19.677 2.616) 24.062 18.014 ( 2.824 6.170 -3.860) 7.807 18.807 ( -0.177 27.495 2.893) 27.648 18.971 ( 21.488 3.759 -4.381) 22.250 ======================= Grid point 677 (276/891) ======================= q-point: (-0.05 0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.613 ( -5.151 1.232 1.564) 5.522 10.081 ( -21.196 -8.581 4.920) 23.390 10.506 ( -12.306 -18.850 -4.170) 22.894 11.620 ( -1.159 -9.404 -5.074) 10.748 12.199 ( -0.110 -1.293 -0.508) 1.394 12.548 ( -5.456 -16.024 -0.252) 16.929 14.061 ( -4.939 -0.503 -3.229) 5.923 14.786 ( 13.810 16.919 7.295) 23.026 16.444 ( -14.733 -19.373 4.322) 24.720 18.051 ( -6.400 9.252 0.285) 11.253 18.841 ( -18.408 23.789 6.035) 30.679 19.531 ( 39.039 -6.210 -12.196) 41.369 ======================= Grid point 689 (277/891) ======================= q-point: ( 0.52 0.52 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.368 ( -0.000 6.028 4.950) 7.800 8.773 ( 0.000 3.741 -0.637) 3.795 10.316 ( -0.000 8.907 -0.386) 8.915 11.345 ( -0.000 0.275 0.542) 0.608 11.897 ( -0.000 -4.199 0.630) 4.246 12.284 ( 0.000 11.740 -9.547) 15.132 13.760 ( 0.000 -1.036 -1.289) 1.653 13.798 ( -0.000 -16.651 14.088) 21.811 15.822 ( 0.000 2.182 -0.344) 2.209 18.876 ( -0.000 1.539 -0.046) 1.540 19.229 ( -0.000 23.155 3.678) 23.445 20.859 ( 0.000 -16.166 -9.910) 18.962 ======================= Grid point 690 (278/891) ======================= q-point: (-0.43 -0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.407 ( -0.055 -1.571 4.280) 4.560 8.880 ( 10.340 0.408 0.304) 10.353 10.532 ( 20.453 -0.580 -1.455) 20.513 11.356 ( -0.551 1.982 3.671) 4.208 12.004 ( 13.794 -0.200 0.815) 13.819 12.353 ( -1.292 9.672 -3.224) 10.276 13.662 ( -2.954 -10.677 6.185) 12.688 13.764 ( -0.747 1.531 1.964) 2.600 15.921 ( 10.207 -0.072 -0.245) 10.210 18.845 ( -3.921 -0.677 -0.967) 4.095 19.297 ( -3.558 -5.677 -1.432) 6.851 20.670 ( -13.392 7.826 -4.723) 16.215 ======================= Grid point 691 (279/891) ======================= q-point: (-0.38 -0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.370 ( 1.080 -8.842 1.479) 9.030 9.131 ( 19.187 -2.453 3.639) 19.682 10.961 ( 35.351 -10.166 -2.762) 36.887 11.403 ( 1.304 3.881 7.392) 8.450 12.233 ( 8.607 -3.374 -1.640) 9.389 12.507 ( 11.483 12.640 5.331) 17.890 13.530 ( -4.876 -4.010 -1.407) 6.468 13.795 ( 0.797 3.808 3.693) 5.365 16.146 ( 17.230 -2.856 -0.255) 17.467 18.724 ( -7.823 -2.600 -1.815) 8.441 18.992 ( -8.151 -30.566 -6.485) 32.292 20.533 ( -24.160 29.093 0.860) 37.827 ======================= Grid point 692 (280/891) ======================= q-point: (-0.33 -0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.298 ( 4.182 -14.171 -1.492) 14.850 9.493 ( 25.159 -5.220 7.473) 26.760 11.337 ( 12.939 -7.221 2.028) 14.956 11.656 ( 30.198 -4.900 6.184) 31.212 12.247 ( 4.346 -11.492 2.881) 12.620 12.917 ( 12.413 15.153 2.762) 19.782 13.426 ( -3.488 2.274 -7.270) 8.378 13.940 ( 11.480 5.966 4.801) 13.799 16.403 ( 17.890 -8.978 -0.668) 20.028 18.417 ( -13.812 -31.241 -6.207) 34.717 18.559 ( -8.782 -7.714 -4.226) 12.429 20.391 ( -31.263 35.308 3.676) 47.303 ======================= Grid point 693 (281/891) ======================= q-point: (-0.29 -0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.240 ( 8.487 -16.968 -4.073) 19.405 9.916 ( 27.735 -7.617 11.196) 30.865 11.399 ( 1.349 -5.011 7.806) 9.374 12.059 ( 7.344 -5.394 5.830) 10.817 12.311 ( 32.280 -26.549 5.792) 42.194 13.113 ( -1.256 9.169 -6.768) 11.465 13.448 ( 1.430 10.921 -7.689) 13.432 14.401 ( 31.494 8.607 4.559) 32.966 16.458 ( 4.517 -25.276 -2.003) 25.754 17.905 ( -7.297 -24.038 -3.841) 25.413 18.355 ( -8.859 -0.235 -5.326) 10.340 20.179 ( -35.792 34.839 5.233) 50.222 ======================= Grid point 694 (282/891) ======================= q-point: (-0.24 -0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.236 ( 12.896 -17.197 -6.011) 22.319 10.337 ( 26.105 -9.923 14.348) 31.397 11.329 ( -3.751 -12.296 9.733) 16.124 12.012 ( 0.409 -10.012 3.963) 10.776 12.620 ( 19.318 -14.963 8.759) 25.957 13.086 ( -0.519 -7.139 -4.884) 8.665 13.650 ( 11.856 15.659 -15.259) 24.872 15.105 ( 35.807 7.906 2.535) 36.757 16.026 ( -11.480 -38.644 -2.930) 40.419 17.704 ( 2.335 -13.329 1.136) 13.580 18.249 ( -3.567 5.615 -8.216) 10.572 19.912 ( -36.987 34.227 7.177) 50.902 ======================= Grid point 695 (283/891) ======================= q-point: (-0.19 -0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.301 ( 15.961 -15.193 -6.973) 23.113 10.666 ( 19.188 -15.083 15.812) 29.081 11.101 ( -7.207 -18.255 8.230) 21.282 11.952 ( 0.675 -6.675 1.875) 6.966 12.726 ( 6.846 -17.153 8.625) 20.383 12.949 ( -2.990 -6.127 -3.512) 7.668 13.991 ( 15.901 12.350 -16.195) 25.839 15.149 ( -23.364 -25.981 1.248) 34.963 16.020 ( 42.872 -7.606 -3.670) 43.696 17.644 ( 2.528 -9.887 3.648) 10.837 18.256 ( -0.027 5.491 -10.091) 11.489 19.682 ( -32.890 35.959 9.995) 49.746 ======================= Grid point 696 (284/891) ======================= q-point: (-0.14 -0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.422 ( 15.930 -11.558 -6.595) 20.757 10.644 ( 0.441 -32.238 6.636) 32.916 10.942 ( 0.440 -8.097 12.248) 14.689 11.895 ( 0.317 -8.157 -0.207) 8.166 12.529 ( -3.320 -25.643 5.741) 26.487 12.928 ( -0.599 1.928 -0.211) 2.030 14.282 ( 9.214 12.327 -13.595) 20.535 14.507 ( -20.087 -20.958 3.342) 29.221 16.622 ( 35.050 -12.484 -7.901) 38.037 17.636 ( 5.989 -6.341 3.750) 9.494 18.283 ( 2.886 4.376 -8.421) 9.919 19.583 ( -25.831 37.077 12.060) 46.769 ======================= Grid point 697 (285/891) ======================= q-point: (-0.10 -0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.549 ( 11.298 -7.258 -4.577) 14.187 10.325 ( 0.039 -30.482 -0.612) 30.488 10.823 ( -6.643 -15.937 9.525) 19.719 11.786 ( -1.865 -12.046 1.072) 12.237 12.283 ( -5.159 -9.472 4.271) 11.601 12.837 ( -8.278 -7.743 0.648) 11.353 14.123 ( -3.820 -13.346 5.092) 14.787 14.524 ( 4.257 19.584 -11.134) 22.926 16.755 ( 3.880 -21.110 -7.127) 22.616 17.813 ( 18.028 -3.335 -0.757) 18.349 18.452 ( 16.257 3.324 -4.833) 17.283 19.572 ( -23.153 34.849 12.551) 43.682 ======================= Grid point 711 (286/891) ======================= q-point: (-0.43 -0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.377 ( -0.000 -9.031 5.719) 10.689 8.769 ( 0.000 -3.603 -1.069) 3.759 10.297 ( 0.000 -9.727 -2.183) 9.969 11.406 ( -0.000 3.415 6.338) 7.199 11.912 ( -0.000 4.643 2.046) 5.074 12.443 ( -0.000 5.442 5.007) 7.395 13.623 ( 0.000 -3.564 -2.168) 4.172 13.809 ( -0.000 4.172 3.627) 5.529 15.821 ( 0.000 -2.060 -0.478) 2.115 18.856 ( 0.000 -2.902 -2.042) 3.549 19.131 ( 0.000 -29.235 -5.915) 29.827 20.957 ( -0.000 26.614 -0.174) 26.614 ======================= Grid point 712 (287/891) ======================= q-point: (-0.38 -0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.255 ( -1.110 -16.425 3.120) 16.756 8.821 ( 12.282 -7.350 1.470) 14.388 10.332 ( 20.105 -16.768 -2.768) 26.325 11.468 ( -0.131 4.624 9.035) 10.151 12.072 ( 9.494 5.288 1.660) 10.993 12.508 ( 1.962 1.105 14.543) 14.716 13.579 ( -3.231 4.503 -11.095) 12.402 13.869 ( -0.848 6.730 4.700) 8.253 15.875 ( 9.855 -4.355 -0.611) 10.792 18.725 ( -4.163 -39.527 -7.756) 40.495 18.778 ( -3.712 -4.833 -2.946) 6.769 21.157 ( -12.072 33.247 2.111) 35.433 ======================= Grid point 713 (288/891) ======================= q-point: (-0.33 -0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.064 ( 1.398 -22.106 -1.345) 22.191 9.037 ( 21.750 -10.917 6.147) 25.100 10.607 ( 34.567 -22.313 -3.049) 41.256 11.559 ( 1.489 5.056 11.304) 12.472 12.189 ( -0.365 -3.936 7.090) 8.118 12.752 ( 18.627 4.434 14.581) 24.068 13.518 ( -6.201 8.396 -15.840) 18.970 13.955 ( 0.313 10.269 3.372) 10.813 16.034 ( 14.840 -8.276 -1.162) 17.031 18.197 ( -7.159 -40.810 -6.926) 42.008 18.629 ( -6.238 -5.158 -4.507) 9.265 21.204 ( -22.371 34.235 3.433) 41.040 ======================= Grid point 714 (289/891) ======================= q-point: (-0.29 -0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.883 ( 6.618 -25.297 -5.303) 26.680 9.373 ( 28.146 -13.679 10.639) 33.053 10.969 ( 34.165 -27.522 -0.919) 43.881 11.717 ( 9.199 3.077 11.438) 14.997 12.092 ( -4.683 -9.798 10.534) 15.129 13.184 ( 13.138 7.378 9.522) 17.824 13.446 ( -1.157 6.142 -14.575) 15.858 14.147 ( 9.958 13.299 0.013) 16.614 16.120 ( 8.260 -19.096 -2.435) 20.948 17.708 ( -3.657 -31.254 -3.713) 31.686 18.453 ( -6.762 -3.180 -6.536) 9.928 21.098 ( -30.309 33.101 4.788) 45.136 ======================= Grid point 715 (290/891) ======================= q-point: (-0.24 -0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.774 ( 13.084 -25.639 -8.362) 29.974 9.775 ( 30.557 -16.056 14.247) 37.343 11.120 ( 14.910 -30.019 6.598) 34.162 11.954 ( -2.820 -9.490 6.835) 12.031 12.024 ( 22.610 -5.812 7.662) 24.570 13.191 ( -9.408 2.195 -4.901) 10.833 13.646 ( 8.936 12.747 -3.262) 15.905 14.598 ( 29.274 9.564 -1.526) 30.834 15.841 ( -8.845 -33.459 -3.165) 34.752 17.496 ( 5.312 -16.094 0.972) 16.975 18.316 ( -4.154 0.677 -9.459) 10.353 20.877 ( -34.694 31.969 6.957) 47.687 ======================= Grid point 716 (291/891) ======================= q-point: (-0.19 -0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.778 ( 19.285 -23.221 -10.241) 31.875 10.150 ( 26.814 -20.361 15.433) 37.037 10.972 ( 2.147 -31.618 11.273) 33.637 11.864 ( 0.490 -9.315 2.143) 9.571 12.306 ( 17.016 -14.740 4.245) 22.909 13.050 ( -6.724 2.831 -0.297) 7.302 13.908 ( 8.194 16.641 -9.223) 20.715 15.239 ( -1.420 -6.711 -1.949) 7.131 15.244 ( 21.422 -25.579 -2.691) 33.472 17.488 ( 5.725 -9.743 4.135) 12.033 18.260 ( -0.595 2.294 -12.415) 12.639 20.627 ( -34.112 32.315 10.359) 48.117 ======================= Grid point 717 (292/891) ======================= q-point: (-0.14 -0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.903 ( 23.521 -18.498 -10.705) 31.781 10.279 ( 9.645 -31.185 9.633) 34.034 10.764 ( 6.231 -28.750 13.614) 32.415 11.769 ( 0.999 -13.124 -0.205) 13.163 12.345 ( 4.432 -11.755 3.967) 13.174 13.027 ( -4.460 6.123 4.871) 9.006 14.176 ( 9.892 8.145 -11.826) 17.437 14.625 ( -16.767 -21.028 -0.989) 26.913 15.869 ( 37.407 -5.296 -6.970) 38.418 17.504 ( 3.810 -7.023 5.553) 9.730 18.236 ( 1.370 0.380 -12.765) 12.844 20.450 ( -29.297 33.634 14.124) 46.787 ======================= Grid point 718 (293/891) ======================= q-point: (-0.10 -0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.128 ( 23.866 -12.103 -9.505) 28.398 10.011 ( -0.618 -34.391 2.615) 34.496 10.618 ( 5.358 -35.381 8.573) 36.797 11.694 ( 2.585 -7.401 4.289) 8.936 12.317 ( -1.756 -2.397 6.686) 7.316 12.954 ( -10.843 -1.053 3.515) 11.447 14.053 ( -4.118 -19.700 2.995) 20.348 14.582 ( 6.098 19.193 -14.866) 25.031 16.288 ( 24.139 -14.302 -11.871) 30.466 17.534 ( 7.307 -6.515 5.009) 10.997 18.265 ( 7.549 -0.450 -8.534) 11.403 20.374 ( -25.327 33.331 16.548) 45.014 ======================= Grid point 733 (294/891) ======================= q-point: (-0.38 -0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.087 ( -0.000 -23.919 4.582) 24.354 8.609 ( 0.000 -12.534 -0.864) 12.564 9.965 ( 0.000 -20.446 -2.814) 20.639 11.549 ( -0.000 4.936 10.203) 11.335 12.064 ( -0.000 8.032 2.553) 8.428 12.521 ( -0.000 -8.687 23.759) 25.297 13.645 ( 0.000 11.544 -16.691) 20.294 13.976 ( -0.000 11.201 3.186) 11.645 15.735 ( 0.000 -6.189 -0.747) 6.234 18.322 ( 0.000 -43.588 -7.594) 44.244 18.739 ( 0.000 -6.696 -4.177) 7.892 21.598 ( -0.000 33.813 2.613) 33.914 ======================= Grid point 734 (295/891) ======================= q-point: (-0.33 -0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.813 ( -1.500 -29.562 0.730) 29.609 8.591 ( 14.964 -18.015 2.474) 23.549 9.910 ( 18.863 -22.511 -2.900) 29.512 11.634 ( 0.262 4.766 10.946) 11.942 12.185 ( 2.070 2.105 6.157) 6.828 12.550 ( 9.137 -9.655 23.378) 26.893 13.657 ( -4.617 7.663 -13.461) 16.163 14.115 ( -1.816 19.698 -2.114) 19.894 15.742 ( 8.883 -8.451 -1.281) 12.328 17.844 ( -2.669 -42.700 -5.874) 43.185 18.627 ( -2.861 -7.063 -5.750) 9.546 21.835 ( -11.611 32.807 3.048) 34.934 ======================= Grid point 735 (296/891) ======================= q-point: (-0.29 -0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.500 ( 2.575 -32.817 -4.641) 33.244 8.765 ( 26.152 -22.053 7.753) 35.077 10.102 ( 30.918 -25.908 -2.599) 40.421 11.729 ( 1.654 4.079 10.789) 11.652 12.128 ( -5.470 -11.092 15.137) 19.547 12.877 ( 24.870 0.194 12.153) 27.681 13.542 ( -7.126 -2.231 -9.018) 11.708 14.277 ( -3.159 24.334 -5.500) 25.147 15.800 ( 8.804 -14.193 -2.667) 16.913 17.410 ( -0.402 -33.609 -2.138) 33.680 18.479 ( -4.275 -5.213 -7.896) 10.382 21.873 ( -21.822 31.029 3.920) 38.136 ======================= Grid point 736 (297/891) ======================= q-point: (-0.24 -0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.254 ( 10.059 -33.331 -9.108) 35.988 9.081 ( 33.074 -24.336 12.104) 42.809 10.358 ( 30.900 -32.576 -0.163) 44.900 11.853 ( 5.486 2.371 9.472) 11.199 11.953 ( -5.313 -12.875 11.622) 18.140 13.282 ( -0.902 -8.190 4.649) 9.461 13.439 ( 21.197 1.916 -1.975) 21.375 14.454 ( 1.491 19.620 -6.825) 20.826 15.652 ( -3.731 -23.819 -3.364) 24.343 17.225 ( 7.848 -16.949 2.527) 18.848 18.343 ( -3.775 -1.567 -10.899) 11.640 21.746 ( -29.196 29.267 5.815) 41.746 ======================= Grid point 737 (298/891) ======================= q-point: (-0.19 -0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.145 ( 18.796 -30.780 -12.183) 38.067 9.456 ( 33.893 -26.677 14.063) 45.367 10.439 ( 18.744 -39.914 5.268) 44.409 11.779 ( -2.269 -14.429 6.008) 15.794 12.035 ( 9.600 1.338 3.150) 10.192 13.101 ( -1.000 -12.699 3.736) 13.275 13.886 ( 14.608 12.761 -0.880) 19.417 14.662 ( 14.882 -6.980 -5.325) 17.279 15.279 ( -10.782 -12.976 -2.866) 17.113 17.290 ( 9.630 -7.316 5.758) 13.395 18.250 ( -2.155 1.087 -14.646) 14.843 21.525 ( -32.053 28.491 9.267) 43.875 ======================= Grid point 738 (299/891) ======================= q-point: (-0.14 -0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.214 ( 26.773 -25.417 -13.627) 39.351 9.732 ( 24.264 -31.348 10.927) 41.120 10.280 ( 10.210 -43.512 8.999) 45.591 11.624 ( 0.426 -15.533 2.471) 15.734 12.187 ( 7.287 -0.983 -0.248) 7.357 13.099 ( 6.618 -4.186 11.102) 13.586 14.081 ( -1.316 0.552 -9.700) 9.805 14.582 ( 1.928 -20.811 1.116) 20.930 15.334 ( 18.099 7.418 -7.020) 20.781 17.397 ( 5.869 -3.399 7.766) 10.310 18.174 ( -1.146 -0.517 -17.476) 17.521 21.313 ( -29.952 29.076 13.986) 44.024 ======================= Grid point 739 (300/891) ======================= q-point: (-0.10 -0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.459 ( 32.132 -17.954 -13.435) 39.183 9.665 ( 4.649 -35.208 3.835) 35.720 10.062 ( 12.570 -46.050 6.937) 48.236 11.560 ( 6.059 -10.051 6.985) 13.657 12.287 ( 5.268 -0.006 1.814) 5.572 13.176 ( -6.775 1.319 12.539) 14.313 13.837 ( 2.122 -27.491 -2.890) 27.724 14.623 ( 3.610 15.578 -10.816) 19.305 15.712 ( 24.142 -4.372 -9.977) 26.485 17.458 ( 0.841 -1.871 7.267) 7.551 18.102 ( 3.547 -4.178 -15.365) 16.313 21.181 ( -26.083 29.563 18.256) 43.447 ======================= Grid point 755 (301/891) ======================= q-point: (-0.33 -0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.515 ( 0.000 -35.993 1.837) 36.040 8.240 ( 0.000 -25.360 0.245) 25.361 9.529 ( 0.000 -20.686 -2.677) 20.859 11.711 ( -0.000 4.028 10.037) 10.815 12.230 ( -0.000 6.764 2.779) 7.313 12.400 ( -0.000 -20.957 27.877) 34.875 13.676 ( 0.000 -6.122 -6.420) 8.871 14.388 ( 0.000 34.034 -8.066) 34.976 15.571 ( 0.000 -9.772 -1.238) 9.850 17.434 ( 0.000 -40.738 -3.271) 40.869 18.557 ( 0.000 -7.032 -7.408) 10.214 22.258 ( -0.000 31.077 2.781) 31.201 ======================= Grid point 756 (302/891) ======================= q-point: (-0.29 -0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.123 ( -1.127 -39.519 -2.353) 39.605 8.128 ( 18.677 -31.468 3.853) 36.796 9.463 ( 15.822 -20.331 -2.453) 25.879 11.780 ( 0.455 2.684 9.225) 9.618 12.152 ( -6.242 -15.198 17.130) 23.736 12.524 ( 18.650 -2.251 10.051) 21.305 13.496 ( -2.882 -21.000 -4.527) 21.675 14.661 ( -7.605 36.881 -6.906) 38.284 15.534 ( 6.925 -10.828 -2.270) 13.052 17.068 ( 1.559 -32.550 1.056) 32.604 18.453 ( -1.964 -4.364 -9.604) 10.730 22.464 ( -11.431 29.046 3.003) 31.359 ======================= Grid point 757 (303/891) ======================= q-point: (-0.24 -0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.734 ( 4.763 -40.325 -8.051) 41.396 8.264 ( 32.171 -34.676 8.800) 48.112 9.597 ( 24.048 -23.543 -1.421) 33.684 11.832 ( 1.042 -5.002 10.813) 11.959 11.945 ( -4.484 -12.973 11.266) 17.757 12.958 ( 28.217 1.666 6.972) 29.114 13.165 ( -1.856 -32.914 -4.371) 33.255 14.777 ( -12.084 23.668 -4.075) 26.886 15.499 ( 0.150 -9.734 -2.831) 10.138 16.924 ( 9.492 -16.536 5.535) 19.854 18.352 ( -3.000 0.386 -12.560) 12.919 22.470 ( -21.199 26.905 4.262) 34.517 ======================= Grid point 758 (304/891) ======================= q-point: (-0.19 -0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.475 ( 14.837 -38.042 -12.646) 42.746 8.565 ( 38.953 -36.578 11.566) 54.672 9.740 ( 21.729 -29.932 1.673) 37.026 11.670 ( -2.566 -22.166 8.359) 23.828 11.962 ( 4.048 2.881 3.114) 5.864 12.819 ( 5.191 -37.008 -0.791) 37.379 13.529 ( 32.394 3.414 5.141) 32.977 14.651 ( -13.595 -4.620 -2.558) 14.585 15.379 ( -7.631 5.379 -1.736) 9.496 17.058 ( 13.151 -4.472 8.146) 16.103 18.274 ( -3.808 4.813 -16.446) 17.554 22.324 ( -27.344 25.244 7.230) 37.911 ======================= Grid point 759 (305/891) ======================= q-point: (-0.14 -0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.426 ( 26.014 -32.475 -15.419) 44.374 8.887 ( 36.957 -40.193 9.781) 55.471 9.720 ( 12.053 -35.452 6.000) 37.923 11.435 ( 0.725 -24.175 2.945) 24.365 12.085 ( 5.575 3.216 -1.917) 6.716 12.700 ( 20.699 -30.424 5.101) 37.150 14.112 ( 24.070 8.763 2.688) 25.756 14.236 ( -12.279 -26.729 -0.180) 29.416 15.374 ( -5.315 16.691 -3.304) 17.825 17.270 ( 10.151 -0.637 9.981) 14.250 18.186 ( -5.836 5.452 -20.785) 22.267 22.120 ( -28.395 24.798 12.149) 39.608 ======================= Grid point 760 (306/891) ======================= q-point: (-0.10 -0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.619 ( 35.578 -24.469 -16.214) 46.124 9.027 ( 25.635 -45.926 1.868) 52.629 9.524 ( 4.786 -36.080 8.248) 37.319 11.308 ( 9.728 -20.277 7.350) 23.660 12.191 ( 5.612 1.989 -3.682) 7.001 12.934 ( 30.806 -20.415 7.863) 37.784 13.677 ( -17.716 -26.013 -1.186) 31.495 14.590 ( 17.018 9.034 0.546) 19.275 15.480 ( 1.924 12.937 -6.767) 14.727 17.445 ( 5.803 0.932 11.171) 12.623 18.028 ( -7.144 0.839 -23.800) 24.863 21.953 ( -25.735 25.235 17.758) 40.180 ======================= Grid point 777 (307/891) ======================= q-point: (-0.29 -0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.723 ( 0.000 -44.294 -1.390) 44.315 7.614 ( 0.000 -38.754 2.159) 38.814 9.145 ( 0.000 -16.762 -2.165) 16.901 11.819 ( -0.000 -0.850 8.545) 8.587 12.101 ( -0.000 -24.709 20.623) 32.184 12.361 ( -0.000 4.523 3.168) 5.522 13.206 ( 0.000 -38.276 -5.666) 38.694 15.136 ( -0.000 42.741 -3.623) 42.894 15.341 ( 0.000 -12.384 -1.839) 12.520 16.758 ( -0.000 -27.464 5.531) 28.015 18.409 ( 0.000 -0.130 -11.739) 11.739 22.847 ( -0.000 27.057 2.425) 27.165 ======================= Grid point 778 (308/891) ======================= q-point: (-0.24 -0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.252 ( -0.358 -46.013 -5.552) 46.348 7.422 ( 22.630 -42.974 5.469) 48.875 9.087 ( 12.131 -16.914 -1.473) 20.867 11.756 ( -2.005 -21.292 13.047) 25.052 11.936 ( -1.586 -7.181 8.551) 11.278 12.577 ( 17.855 0.494 3.116) 18.131 12.749 ( 1.032 -47.612 -5.661) 47.958 15.107 ( -10.496 -5.149 -1.440) 11.779 15.524 ( -0.256 20.894 0.206) 20.897 16.644 ( 8.326 -11.482 9.773) 17.225 18.379 ( -1.839 6.428 -14.493) 15.961 23.013 ( -11.212 24.914 2.738) 27.458 ======================= Grid point 779 (309/891) ======================= q-point: (-0.19 -0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.830 ( 7.968 -44.608 -11.310) 46.704 7.537 ( 37.263 -44.785 8.891) 58.934 9.165 ( 17.068 -20.333 0.566) 26.553 11.480 ( -2.590 -30.673 5.791) 31.322 11.909 ( 4.090 -12.175 7.681) 14.966 12.284 ( 4.385 -40.826 -7.958) 41.825 13.034 ( 29.154 1.558 5.613) 29.730 14.791 ( -14.137 -16.223 -0.539) 21.525 15.610 ( -5.594 10.779 2.968) 12.502 16.859 ( 12.231 6.084 12.234) 18.338 18.371 ( -4.232 12.857 -18.095) 22.597 22.987 ( -20.211 22.770 4.726) 30.811 ======================= Grid point 780 (310/891) ======================= q-point: (-0.14 -0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.613 ( 21.197 -39.451 -15.779) 47.483 7.808 ( 41.856 -46.753 8.388) 63.310 9.220 ( 13.683 -25.208 4.356) 29.011 11.121 ( 1.334 -38.727 -1.921) 38.798 11.898 ( 21.137 -34.378 9.017) 41.351 12.104 ( 3.053 -6.689 -7.137) 10.247 13.602 ( 32.486 -0.335 4.709) 32.827 14.331 ( -16.794 -20.324 0.345) 26.367 15.631 ( -4.223 9.409 2.814) 10.690 17.165 ( 8.456 8.963 13.849) 18.537 18.345 ( -8.484 16.235 -22.335) 28.886 22.836 ( -24.697 21.313 9.096) 33.866 ======================= Grid point 781 (311/891) ======================= q-point: (-0.10 -0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.686 ( 34.697 -31.023 -17.916) 49.872 8.021 ( 35.636 -50.853 2.059) 62.130 9.153 ( 6.671 -27.365 7.448) 29.135 10.853 ( 13.713 -37.303 3.057) 39.861 12.065 ( 32.228 -32.732 0.964) 45.945 12.136 ( 6.603 2.668 -3.151) 7.788 13.701 ( -12.519 -27.347 1.480) 30.113 14.276 ( 24.356 5.888 2.174) 25.152 15.672 ( -3.195 10.172 1.204) 10.730 17.396 ( 4.657 6.109 13.796) 15.790 18.221 ( -15.045 14.754 -26.287) 33.691 22.663 ( -24.203 21.096 15.337) 35.582 ======================= Grid point 799 (312/891) ======================= q-point: (-0.24 -0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.779 ( 0.000 -49.293 -4.547) 49.503 6.777 ( 0.000 -48.040 4.402) 48.241 8.830 ( 0.000 -14.431 -1.294) 14.489 11.551 ( -0.000 -32.636 8.820) 33.807 11.844 ( -0.000 -28.146 7.834) 29.216 12.245 ( 0.000 -35.570 -7.669) 36.387 12.453 ( -0.000 2.618 3.570) 4.427 15.069 ( 0.000 -13.656 -2.249) 13.840 15.699 ( -0.000 -0.281 4.440) 4.449 16.610 ( -0.000 15.834 15.226) 21.967 18.446 ( 0.000 14.578 -17.027) 22.415 23.352 ( -0.000 23.012 1.812) 23.083 ======================= Grid point 800 (313/891) ======================= q-point: (-0.19 -0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.262 ( 0.734 -49.516 -8.548) 50.254 6.542 ( 25.857 -50.306 6.913) 56.983 8.768 ( 9.095 -15.192 -0.157) 17.707 11.133 ( -0.633 -53.054 -9.516) 53.904 11.458 ( 4.626 -50.127 15.445) 52.656 12.089 ( -0.481 -0.802 -4.227) 4.329 12.650 ( 18.245 1.307 4.440) 18.823 14.829 ( -10.464 -16.958 -1.245) 19.965 15.618 ( 3.698 -17.422 5.572) 18.661 16.958 ( 3.062 29.364 19.634) 35.455 18.543 ( -2.975 22.411 -20.322) 30.399 23.480 ( -10.862 20.905 2.325) 23.673 ======================= Grid point 801 (314/891) ======================= q-point: (-0.14 -0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.852 ( 12.450 -45.840 -14.246) 49.591 6.650 ( 39.952 -50.861 7.839) 65.149 8.797 ( 11.926 -18.454 2.733) 22.141 10.529 ( 6.827 -66.050 -12.866) 67.637 11.215 ( 12.680 -39.564 13.600) 43.716 12.088 ( 0.002 3.402 -4.662) 5.771 13.087 ( 28.802 0.278 4.092) 29.093 14.397 ( -15.790 -21.778 0.377) 26.903 15.581 ( 8.349 -14.892 3.825) 17.496 17.332 ( -0.040 25.257 22.421) 33.772 18.627 ( -8.099 27.658 -23.875) 37.424 23.429 ( -18.719 18.800 5.363) 27.067 ======================= Grid point 802 (315/891) ======================= q-point: (-0.10 -0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.737 ( 29.319 -37.535 -18.272) 51.013 6.868 ( 40.626 -52.375 3.161) 66.360 8.800 ( 9.266 -21.492 6.311) 24.240 10.081 ( 20.219 -61.488 -6.050) 65.009 11.216 ( 25.553 -33.239 6.825) 42.478 12.118 ( 1.176 4.113 -5.562) 7.017 13.498 ( 12.843 -15.005 2.314) 19.886 14.031 ( 2.767 -7.338 0.622) 7.867 15.614 ( 9.610 -12.111 1.712) 15.555 17.587 ( -4.224 18.877 22.466) 29.646 18.615 ( -16.520 28.203 -27.306) 42.590 23.286 ( -21.273 17.612 11.345) 29.857 ======================= Grid point 821 (316/891) ======================= q-point: (-0.19 -0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.744 ( 0.000 -51.632 -7.391) 52.158 5.809 ( -0.000 -53.987 6.578) 54.386 8.553 ( 0.000 -13.282 -0.271) 13.285 10.396 ( 0.000 -79.068 -16.547) 80.781 11.062 ( -0.000 -40.001 17.295) 43.580 12.096 ( 0.000 2.403 -2.981) 3.829 12.514 ( -0.000 1.186 3.562) 3.754 14.786 ( 0.000 -13.343 -2.103) 13.508 15.307 ( -0.000 -33.816 7.231) 34.581 17.341 ( -0.000 32.647 25.735) 41.571 18.764 ( 0.000 31.409 -22.662) 38.732 23.775 ( -0.000 19.170 0.875) 19.189 ======================= Grid point 822 (317/891) ======================= q-point: (-0.14 -0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.211 ( 2.371 -50.474 -11.127) 51.740 5.557 ( 28.594 -54.786 7.800) 62.289 8.483 ( 6.504 -14.401 1.273) 15.853 9.586 ( 7.969 -84.443 -16.380) 86.385 10.758 ( 4.051 -37.942 13.673) 40.533 12.110 ( -0.199 3.388 -4.276) 5.459 12.695 ( 17.995 0.470 3.299) 18.301 14.460 ( -16.188 -20.661 0.546) 26.253 15.160 ( 15.249 -28.387 4.345) 32.515 17.708 ( -2.051 25.897 27.913) 38.131 18.987 ( -5.293 37.688 -23.554) 44.757 23.866 ( -10.304 17.090 1.701) 20.028 ======================= Grid point 823 (318/891) ======================= q-point: (-0.10 -0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.861 ( 18.858 -43.966 -16.634) 50.649 5.661 ( 40.645 -54.069 5.118) 67.836 8.460 ( 9.224 -21.160 5.607) 23.755 8.981 ( 21.828 -76.366 -13.726) 80.602 10.589 ( 14.063 -33.798 9.381) 37.790 12.127 ( 0.164 3.642 -5.486) 6.587 13.082 ( 23.416 -3.528 1.741) 23.744 13.986 ( -11.135 -19.569 1.106) 22.542 15.201 ( 16.562 -23.249 1.217) 28.571 17.956 ( -5.287 19.028 25.976) 32.631 19.129 ( -14.210 39.084 -23.348) 47.692 23.799 ( -16.523 15.072 6.225) 23.214 ======================= Grid point 843 (319/891) ======================= q-point: (-0.14 -0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.669 ( 0.000 -51.701 -9.513) 52.569 4.757 ( -0.000 -58.128 8.466) 58.742 8.306 ( 0.000 -11.998 0.576) 12.012 8.571 ( 0.000 -93.387 -16.946) 94.912 10.391 ( -0.000 -38.540 11.840) 40.318 12.129 ( 0.000 3.324 -4.866) 5.893 12.547 ( -0.000 -0.002 2.804) 2.804 14.529 ( 0.000 -11.466 -1.222) 11.531 14.614 ( -0.000 -40.271 7.168) 40.904 18.048 ( -0.000 19.984 27.055) 33.635 19.363 ( 0.000 43.125 -19.539) 47.345 24.117 ( -0.000 15.537 -0.564) 15.547 ======================= Grid point 844 (320/891) ======================= q-point: (-0.10 -0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( 5.035 -49.055 -12.750) 50.935 4.506 ( 31.243 -57.392 7.752) 65.803 7.687 ( 13.549 -93.106 -13.054) 94.988 8.258 ( 6.965 -13.470 -0.372) 15.169 10.106 ( 6.497 -36.003 9.396) 37.771 12.142 ( -0.130 3.198 -5.656) 6.499 12.710 ( 17.027 -0.645 1.367) 17.094 14.002 ( -15.959 -27.688 3.404) 32.139 14.672 ( 18.234 -21.436 1.481) 28.181 18.277 ( -2.926 15.009 22.268) 27.013 19.669 ( -8.176 42.995 -14.549) 46.120 24.174 ( -9.358 13.461 0.819) 16.415 ======================= Grid point 865 (321/891) ======================= q-point: (-0.10 -0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 0.000 -49.767 -9.566) 50.678 3.647 ( -0.000 -61.243 10.223) 62.090 6.539 ( 0.000 -101.668 -16.485) 102.996 8.094 ( 0.000 -10.018 0.895) 10.058 9.727 ( -0.000 -35.285 8.297) 36.247 12.155 ( 0.000 3.077 -6.496) 7.187 12.552 ( -0.000 -0.972 1.452) 1.747 13.869 ( -0.000 -39.417 6.933) 40.023 14.328 ( 0.000 -8.519 0.076) 8.520 18.499 ( -0.000 11.914 16.405) 20.275 20.122 ( 0.000 40.877 -5.865) 41.295 24.377 ( 0.000 12.065 -2.730) 12.370 ======================= Grid point 932 (322/891) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 891 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -0.000 0.000 43.434) 43.434 0.893 ( -0.000 0.000 43.434) 43.434 1.755 ( -0.000 0.000 85.663) 85.663 7.737 ( 0.000 -0.000 -4.134) 4.134 7.737 ( 0.000 -0.000 -4.134) 4.134 12.492 ( 0.000 -0.000 -0.920) 0.920 12.492 ( 0.000 -0.000 -0.920) 0.920 14.104 ( -0.000 0.000 0.922) 0.922 14.104 ( -0.000 0.000 0.922) 0.922 18.161 ( 0.000 -0.000 -41.141) 41.141 19.634 ( -0.000 0.000 30.873) 30.873 24.855 ( 0.000 -0.000 -0.715) 0.715 ======================= Grid point 933 (323/891) ======================= q-point: ( 0.14 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 40.110 23.158 38.850) 60.451 1.884 ( 47.548 27.452 31.719) 63.407 2.484 ( 55.097 31.810 49.205) 80.429 7.761 ( 3.272 1.889 -4.922) 6.205 8.192 ( 29.718 17.158 -20.373) 39.907 12.492 ( 0.522 0.301 -1.296) 1.430 12.560 ( 1.706 0.985 3.251) 3.801 13.381 ( -20.160 -11.639 35.489) 42.443 14.153 ( 3.112 1.797 1.811) 4.024 18.383 ( 7.310 4.220 -44.114) 44.914 20.469 ( 36.113 20.850 -16.443) 44.825 24.618 ( -16.794 -9.696 -0.416) 19.396 ======================= Grid point 934 (324/891) ======================= q-point: ( 0.19 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( 27.103 15.648 51.148) 59.962 3.104 ( 50.789 29.323 24.379) 63.511 4.293 ( 84.072 48.539 11.180) 97.720 7.846 ( 5.716 3.300 -5.885) 8.844 8.815 ( 31.648 18.272 -16.879) 40.254 12.507 ( 1.258 0.726 -1.725) 2.255 12.529 ( -4.509 -2.603 14.023) 14.958 13.577 ( 21.410 12.361 17.017) 30.012 14.254 ( 5.040 2.910 2.503) 6.335 18.268 ( -3.662 -2.114 -35.400) 35.651 20.794 ( -1.245 -0.719 -1.496) 2.075 24.188 ( -18.813 -10.862 -11.048) 24.372 ======================= Grid point 935 (325/891) ======================= q-point: ( 0.24 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.518 ( 35.036 20.228 40.603) 57.317 4.326 ( 50.131 28.943 19.913) 61.216 6.207 ( 81.446 47.023 2.629) 94.083 7.972 ( 7.116 4.108 -7.004) 10.796 9.536 ( 36.299 20.957 -11.664) 43.507 12.498 ( -2.499 -1.443 13.837) 14.134 12.535 ( 1.695 0.978 -2.022) 2.814 14.245 ( 31.227 18.029 9.849) 37.379 14.396 ( 6.662 3.846 2.760) 8.173 18.018 ( -8.021 -4.631 -31.757) 33.081 20.530 ( -22.654 -13.080 17.752) 31.614 23.704 ( -18.725 -10.811 -22.629) 31.298 ======================= Grid point 936 (326/891) ======================= q-point: ( 0.29 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.507 ( 41.201 23.787 30.682) 56.610 5.499 ( 47.754 27.571 16.671) 57.606 7.956 ( 71.877 41.498 -3.119) 83.055 8.114 ( 7.548 4.358 -8.115) 11.909 10.383 ( 41.197 23.785 -6.815) 48.056 12.500 ( -1.202 -0.694 11.270) 11.355 12.565 ( 1.459 0.842 -2.096) 2.689 14.572 ( 8.126 4.692 2.536) 9.720 14.982 ( 30.197 17.434 4.565) 35.166 17.711 ( -9.736 -5.621 -27.122) 29.359 19.954 ( -33.897 -19.570 30.060) 49.352 23.190 ( -18.811 -10.861 -29.881) 36.942 ======================= Grid point 937 (327/891) ======================= q-point: ( 0.33 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.570 ( 44.153 25.492 22.824) 55.859 6.593 ( 43.889 25.339 14.310) 52.661 8.255 ( 7.412 4.279 -9.095) 12.489 9.395 ( 55.941 32.298 -8.865) 65.201 11.356 ( 45.663 26.364 -2.313) 52.778 12.514 ( -0.309 -0.178 6.877) 6.886 12.580 ( 0.345 0.199 -1.977) 2.017 14.780 ( 9.424 5.441 1.983) 11.061 15.576 ( 20.120 11.616 -1.414) 23.275 17.439 ( -5.937 -3.428 -19.011) 20.210 19.254 ( -36.365 -20.995 35.896) 55.243 22.650 ( -19.652 -11.346 -32.109) 39.318 ======================= Grid point 938 (328/891) ======================= q-point: ( 0.38 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.641 ( 44.178 25.506 16.473) 53.606 7.570 ( 37.655 21.740 13.286) 45.464 8.393 ( 8.009 4.624 -10.302) 13.844 10.419 ( 38.018 21.950 -12.557) 45.661 12.377 ( 41.317 23.854 1.607) 47.736 12.527 ( 1.577 0.910 -3.303) 3.772 12.562 ( -1.483 -0.856 -1.786) 2.474 15.009 ( 10.252 5.919 1.356) 11.915 15.854 ( 6.046 3.491 0.236) 6.986 17.356 ( 2.439 1.408 -13.159) 13.457 18.613 ( -29.024 -16.757 36.484) 49.541 22.084 ( -21.089 -12.176 -30.205) 38.799 ======================= Grid point 939 (329/891) ======================= q-point: ( 0.43 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.665 ( 41.657 24.051 10.960) 49.334 8.286 ( 16.519 9.537 10.042) 21.557 8.643 ( 22.182 12.807 -8.081) 26.859 11.064 ( 23.358 13.486 -12.889) 29.893 12.480 ( -2.989 -1.726 -8.177) 8.876 12.500 ( -3.514 -2.029 -1.662) 4.385 13.182 ( 26.769 15.455 -5.946) 31.477 15.246 ( 10.123 5.845 0.872) 11.722 16.008 ( 7.675 4.431 17.405) 19.532 17.324 ( -3.250 -1.876 -13.179) 13.703 18.292 ( -7.382 -4.262 28.052) 29.318 21.492 ( -22.869 -13.203 -25.253) 36.538 ======================= Grid point 940 (330/891) ======================= q-point: ( 0.48 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.478 ( 4.156 2.399 0.874) 4.877 8.585 ( 36.603 21.133 5.586) 42.633 9.244 ( 26.288 15.177 1.212) 30.379 11.412 ( 11.093 6.405 -11.662) 17.323 12.318 ( -7.177 -4.144 -13.816) 16.111 12.395 ( -5.016 -2.896 -1.734) 6.046 13.579 ( 12.260 7.078 -5.713) 15.266 15.464 ( 8.684 5.014 0.624) 10.047 16.198 ( -4.283 -2.473 22.850) 23.379 17.324 ( 13.723 7.923 -3.556) 16.240 18.384 ( 6.495 3.750 13.045) 15.047 20.877 ( -24.904 -14.378 -18.467) 34.176 ======================= Grid point 941 (331/891) ======================= q-point: ( 0.52 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.551 ( 2.348 1.356 0.580) 2.773 9.330 ( 27.302 15.763 -1.140) 31.546 9.759 ( 17.939 10.357 2.462) 20.860 11.483 ( -1.137 -0.656 -8.635) 8.735 12.148 ( -2.469 -1.425 -10.347) 10.732 12.272 ( -4.952 -2.859 -2.072) 6.082 13.787 ( 8.783 5.071 -5.357) 11.470 15.634 ( 5.927 3.422 0.601) 6.871 15.924 ( -19.597 -11.315 5.018) 23.179 17.888 ( 26.397 15.241 14.469) 33.741 18.631 ( 14.240 8.222 4.700) 17.102 20.239 ( -26.945 -15.556 -11.316) 33.107 ======================= Grid point 942 (332/891) ======================= q-point: ( 0.57 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.593 ( 0.989 0.571 1.447) 1.844 9.722 ( 6.616 3.820 -11.489) 13.797 10.047 ( 6.122 3.535 2.643) 7.547 11.458 ( 4.405 2.543 3.727) 6.306 12.122 ( 1.398 0.807 -7.741) 7.907 12.178 ( -2.098 -1.211 -2.515) 3.492 13.958 ( 7.584 4.379 -4.416) 9.808 15.465 ( -18.880 -10.900 -10.232) 24.082 15.730 ( 2.197 1.269 0.749) 2.646 18.300 ( 4.293 2.479 14.068) 14.916 19.181 ( 28.488 16.448 7.203) 33.675 19.605 ( -23.156 -13.369 -3.194) 26.928 ======================= Grid point 943 (333/891) ======================= q-point: (-0.38 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.601 ( -0.872 -0.504 1.823) 2.082 9.528 ( -17.454 -10.077 -17.350) 26.594 10.040 ( -7.328 -4.231 2.335) 8.778 11.772 ( 16.909 9.762 15.609) 24.997 12.137 ( 3.560 2.055 -6.875) 8.010 12.175 ( 2.590 1.496 -2.609) 3.969 14.073 ( 2.089 1.206 0.077) 2.414 15.046 ( -11.494 -6.636 -26.719) 29.834 15.736 ( -1.940 -1.120 1.003) 2.454 18.256 ( -11.440 -6.605 10.773) 17.046 18.931 ( -23.133 -13.356 -3.455) 26.934 20.096 ( 35.937 20.748 17.118) 44.889 ======================= Grid point 944 (334/891) ======================= q-point: (-0.33 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.551 ( -4.465 -2.578 0.552) 5.185 8.909 ( -30.677 -17.711 -17.211) 39.382 9.756 ( -17.500 -10.103 2.250) 20.332 11.970 ( -1.924 -1.111 5.045) 5.512 12.263 ( 5.407 3.122 -2.354) 6.673 12.468 ( 20.680 11.939 12.266) 26.845 14.027 ( -5.118 -2.955 3.709) 6.977 14.788 ( -2.311 -1.334 -40.049) 40.137 15.651 ( -5.849 -3.377 1.286) 6.875 17.876 ( -21.913 -12.651 6.943) 26.238 18.503 ( -15.157 -8.751 0.037) 17.502 20.958 ( 34.145 19.714 19.708) 44.079 ======================= Grid point 945 (335/891) ======================= q-point: (-0.29 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.057 ( -39.080 -22.563 -16.384) 48.008 8.359 ( -13.448 -7.764 -3.862) 16.001 9.325 ( -19.636 -11.337 4.229) 23.065 11.891 ( -6.129 -3.538 6.082) 9.331 12.383 ( 5.463 3.154 -2.195) 6.679 12.748 ( -3.880 -2.240 10.894) 11.780 13.964 ( -7.756 -4.478 9.583) 13.116 14.685 ( 12.381 7.148 -41.676) 44.060 15.485 ( -8.972 -5.180 1.506) 10.469 17.461 ( -13.615 -7.860 -1.836) 15.828 18.176 ( -14.594 -8.426 4.341) 17.402 21.763 ( 30.790 17.776 20.307) 40.943 ======================= Grid point 946 (336/891) ======================= q-point: (-0.24 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.047 ( -44.886 -25.915 -15.412) 54.073 7.857 ( -28.965 -16.723 -9.301) 34.715 8.965 ( -13.401 -7.737 6.569) 16.810 11.703 ( -15.305 -8.836 14.176) 22.656 12.473 ( -16.622 -9.596 -3.002) 19.426 12.485 ( 4.066 2.347 -2.248) 5.205 13.412 ( -37.824 -21.838 -4.141) 43.871 15.245 ( 36.541 21.097 -13.152) 44.196 15.263 ( -10.935 -6.313 1.560) 12.723 17.233 ( -4.913 -2.836 -17.418) 18.319 17.925 ( -7.718 -4.456 11.403) 14.473 22.486 ( 27.042 15.613 19.360) 36.740 ======================= Grid point 947 (337/891) ======================= q-point: (-0.19 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.936 ( -48.408 -27.948 -13.708) 57.553 7.028 ( -39.951 -23.066 -11.580) 47.563 8.728 ( -10.185 -5.880 5.530) 12.996 11.166 ( -39.818 -22.989 21.725) 50.852 12.084 ( -20.607 -11.898 -7.662) 24.998 12.482 ( -32.476 -18.750 -10.716) 39.001 12.550 ( 2.288 1.321 -2.347) 3.533 15.010 ( -11.609 -6.702 1.370) 13.474 15.807 ( 5.019 2.897 -2.375) 6.263 17.251 ( 21.001 12.125 -26.629) 36.016 17.953 ( 5.664 3.270 14.789) 16.170 23.117 ( 23.128 13.353 17.072) 31.696 ======================= Grid point 948 (338/891) ======================= q-point: (-0.14 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.780 ( -49.629 -28.653 -10.352) 58.234 6.004 ( -46.368 -26.770 -12.344) 54.945 8.518 ( -9.830 -5.675 3.305) 11.822 10.020 ( -66.038 -38.127 19.561) 78.723 11.302 ( -37.022 -21.375 -6.688) 43.269 12.155 ( -3.098 -1.789 -7.868) 8.643 12.575 ( 0.732 0.423 -2.279) 2.431 14.754 ( -11.085 -6.400 0.936) 12.834 15.450 ( -27.921 -16.120 -6.524) 32.894 17.902 ( 31.131 17.974 -29.336) 46.398 18.306 ( 25.180 14.538 22.058) 36.495 23.647 ( 19.088 11.020 13.533) 25.864 ======================= Grid point 949 (339/891) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.640 ( -48.202 -27.830 -3.715) 55.783 4.861 ( -50.504 -29.159 -12.071) 59.553 8.303 ( -9.673 -5.585 1.038) 11.218 8.401 ( -80.398 -46.418 16.603) 94.308 10.481 ( -33.797 -19.513 -5.910) 39.471 12.115 ( 0.411 0.237 -2.020) 2.075 12.572 ( -0.322 -0.186 -1.952) 1.988 14.521 ( -9.588 -5.535 0.379) 11.077 14.690 ( -35.037 -20.229 -7.865) 41.215 18.280 ( 14.102 8.142 -17.122) 23.629 19.203 ( 41.719 24.086 10.439) 49.291 24.070 ( 14.873 8.587 8.727) 19.264 ======================= Grid point 954 (340/891) ======================= q-point: ( 0.14 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -0.000 39.932 23.518) 46.343 2.053 ( -0.000 24.686 57.475) 62.552 2.955 ( -0.000 80.465 45.718) 92.546 7.746 ( 0.000 4.166 -5.091) 6.579 8.119 ( 0.000 32.398 -18.748) 37.432 12.494 ( 0.000 0.647 -1.284) 1.438 12.627 ( -0.000 14.820 -1.260) 14.874 13.347 ( -0.000 -45.146 35.551) 57.463 14.119 ( -0.000 2.066 0.764) 2.203 18.232 ( 0.000 10.970 -46.873) 48.140 20.434 ( 0.000 37.023 -6.382) 37.569 24.682 ( 0.000 -11.977 -1.774) 12.108 ======================= Grid point 955 (341/891) ======================= q-point: ( 0.19 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 52.630 30.625 21.475) 64.568 2.602 ( 18.816 19.622 52.662) 59.265 4.169 ( 26.827 91.657 25.588) 98.871 7.808 ( 2.927 6.709 -5.729) 9.295 8.547 ( 18.645 29.680 -18.630) 39.694 12.477 ( -1.231 -1.331 1.315) 2.239 12.736 ( -6.613 11.256 5.613) 14.211 13.268 ( 19.243 -12.494 21.495) 31.439 14.216 ( 6.153 4.868 1.567) 8.001 18.148 ( -0.033 -0.592 -40.505) 40.509 20.741 ( 5.632 6.762 -2.436) 9.131 24.393 ( -17.196 -10.080 -6.790) 21.058 ======================= Grid point 956 (342/891) ======================= q-point: ( 0.24 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.295 ( 27.537 15.763 49.606) 58.885 3.830 ( 53.450 34.978 13.345) 65.257 5.737 ( 47.431 80.983 11.884) 94.601 7.932 ( 4.178 10.137 -6.310) 12.650 9.171 ( 28.080 27.467 -14.649) 41.923 12.452 ( 0.064 -3.762 5.434) 6.609 12.736 ( -7.318 11.611 6.084) 15.013 13.725 ( 31.806 -3.843 9.268) 33.351 14.438 ( 8.949 14.236 2.923) 17.067 17.952 ( -3.879 -5.777 -35.493) 36.169 20.691 ( -8.104 -14.480 11.718) 20.314 23.914 ( -23.117 -7.871 -16.197) 29.304 ======================= Grid point 957 (343/891) ======================= q-point: ( 0.29 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.158 ( 36.045 19.256 38.060) 55.844 5.083 ( 47.385 36.834 12.385) 61.282 7.345 ( 53.197 60.353 0.926) 80.457 8.115 ( 5.182 18.341 -4.849) 19.666 9.938 ( 35.876 26.556 -10.110) 45.766 12.439 ( 1.070 -5.012 6.463) 8.248 12.759 ( -7.048 14.408 3.092) 16.334 14.200 ( 27.650 -9.749 3.882) 29.575 14.853 ( 16.225 23.625 3.357) 28.855 17.683 ( -6.216 -7.894 -30.273) 31.897 20.301 ( -21.135 -24.665 24.983) 40.978 23.368 ( -23.798 -7.277 -25.345) 35.519 ======================= Grid point 958 (344/891) ======================= q-point: ( 0.33 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.133 ( 41.705 20.732 28.405) 54.553 6.245 ( 41.474 37.962 10.735) 57.240 8.174 ( 9.759 11.653 -11.350) 18.970 8.921 ( 42.610 52.869 -0.445) 67.904 10.846 ( 43.043 27.000 -5.448) 51.101 12.429 ( 1.670 -5.918 5.186) 8.044 12.789 ( -7.937 15.721 0.891) 17.634 14.526 ( 20.614 -6.945 1.976) 21.843 15.382 ( 18.275 17.749 -0.711) 25.486 17.415 ( -5.012 -6.863 -22.497) 24.048 19.706 ( -29.149 -26.710 33.396) 51.753 22.799 ( -22.805 -8.503 -30.414) 38.954 ======================= Grid point 959 (345/891) ======================= q-point: ( 0.38 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.150 ( 44.222 19.681 20.731) 52.656 7.304 ( 35.204 37.727 9.132) 52.403 8.365 ( 3.995 14.066 -10.590) 18.055 10.022 ( 35.268 35.634 -7.387) 50.677 11.868 ( 45.748 26.838 -3.467) 53.152 12.413 ( 1.923 -6.303 2.332) 6.990 12.794 ( -9.714 15.489 -0.910) 18.306 14.803 ( 17.162 -2.846 1.269) 17.442 15.739 ( 10.611 5.499 -3.233) 12.381 17.277 ( 1.565 -1.563 -14.302) 14.472 19.066 ( -30.028 -21.932 36.394) 52.031 22.222 ( -21.779 -11.039 -30.494) 39.065 ======================= Grid point 960 (346/891) ======================= q-point: ( 0.43 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.136 ( 43.641 15.490 14.439) 48.507 8.225 ( 25.450 35.296 8.905) 44.417 8.546 ( 4.793 18.941 -11.182) 22.512 10.774 ( 24.587 21.426 -10.067) 34.131 12.373 ( 1.387 -6.205 -4.888) 8.020 12.694 ( 1.729 11.289 -10.470) 15.494 12.859 ( 21.211 22.287 3.829) 31.005 15.060 ( 14.754 -1.395 1.004) 14.854 15.918 ( 10.508 1.223 7.123) 12.753 17.282 ( 1.970 -0.049 -13.366) 13.510 18.572 ( -20.417 -10.965 33.313) 40.582 21.638 ( -21.212 -14.120 -26.399) 36.691 ======================= Grid point 961 (347/891) ======================= q-point: ( 0.48 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.984 ( 36.502 5.704 8.553) 37.922 8.696 ( 2.966 27.123 -2.432) 27.393 9.075 ( 21.936 31.814 0.370) 38.645 11.234 ( 14.877 11.453 -9.837) 21.196 12.282 ( -2.214 -6.081 -10.837) 12.622 12.591 ( -12.662 8.142 -6.128) 16.253 13.412 ( 16.128 12.071 -3.254) 20.406 15.275 ( 12.913 -3.983 1.578) 13.605 16.230 ( 12.873 4.626 19.108) 23.500 17.227 ( 0.982 1.967 -10.236) 10.469 18.421 ( -3.080 -0.222 20.903) 21.130 21.046 ( -21.316 -17.197 -19.589) 33.673 ======================= Grid point 962 (348/891) ======================= q-point: ( 0.52 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.445 ( 13.541 0.106 2.575) 13.784 9.142 ( 17.077 27.957 -3.000) 32.897 9.685 ( 14.146 27.433 1.637) 30.909 11.443 ( 4.275 4.030 -7.891) 9.838 12.131 ( -3.222 -3.580 -12.594) 13.484 12.435 ( -11.935 6.759 -3.421) 14.136 13.678 ( 8.336 6.671 -4.133) 11.449 15.404 ( 9.544 -12.269 1.756) 15.643 16.286 ( -15.389 4.490 5.240) 16.866 17.582 ( 29.746 13.840 9.925) 34.276 18.524 ( 6.641 2.638 8.875) 11.394 20.441 ( -22.240 -19.922 -11.935) 32.155 ======================= Grid point 963 (349/891) ======================= q-point: ( 0.57 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.587 ( 2.853 2.325 1.456) 3.958 9.628 ( 11.548 17.352 -10.092) 23.158 10.085 ( 4.412 20.015 2.943) 20.706 11.460 ( -0.294 3.140 -0.578) 3.206 12.070 ( 1.673 0.415 -9.740) 9.891 12.305 ( -9.808 7.317 -2.844) 12.562 13.851 ( 7.806 4.920 -4.912) 10.453 15.311 ( -0.063 -24.486 -2.660) 24.630 16.071 ( -17.890 16.049 -4.125) 24.386 18.225 ( 17.156 6.195 18.736) 26.149 18.836 ( 26.610 9.716 4.766) 28.727 19.819 ( -23.083 -21.745 -5.095) 32.118 ======================= Grid point 964 (350/891) ======================= q-point: (-0.38 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.618 ( -1.232 0.022 1.221) 1.734 9.690 ( -11.127 4.374 -16.996) 20.780 10.245 ( -8.001 14.703 3.854) 17.177 11.639 ( 13.286 9.526 10.790) 19.588 12.080 ( 1.854 0.668 -8.698) 8.918 12.250 ( -5.059 10.173 -2.797) 11.700 14.010 ( 6.973 3.607 -3.590) 8.633 14.957 ( -7.317 -23.758 -15.121) 29.097 15.964 ( -13.277 15.835 -3.859) 21.022 18.364 ( -3.300 -4.825 12.954) 14.212 19.144 ( -20.730 -18.147 -3.383) 27.758 19.671 ( 38.699 11.857 15.016) 43.171 ======================= Grid point 965 (351/891) ======================= q-point: (-0.33 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.525 ( -5.485 -10.415 -1.554) 11.873 9.326 ( -26.719 4.271 -14.449) 30.675 10.106 ( -22.601 8.958 2.673) 24.458 11.962 ( 3.425 -1.022 5.379) 6.458 12.246 ( 20.550 12.124 6.406) 24.705 12.307 ( -0.609 13.010 -3.461) 13.476 14.079 ( -1.921 -1.220 1.304) 2.623 14.590 ( -1.259 -15.905 -30.421) 34.351 15.862 ( -13.332 10.462 -2.456) 17.124 18.127 ( -18.650 -13.674 10.077) 25.226 18.645 ( -14.569 -13.657 -1.043) 19.996 20.550 ( 40.407 13.176 17.933) 46.129 ======================= Grid point 966 (352/891) ======================= q-point: (-0.29 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.127 ( -18.471 -28.114 -8.876) 34.790 8.881 ( -30.851 14.510 -8.429) 35.119 9.720 ( -29.535 4.209 3.223) 30.007 11.937 ( -2.001 -3.408 1.839) 4.359 12.404 ( -0.579 10.662 -1.245) 10.750 12.761 ( 12.183 7.444 14.522) 20.365 14.005 ( 0.734 -0.832 3.277) 3.460 14.385 ( 3.292 -10.216 -37.612) 39.113 15.692 ( -14.557 4.473 -0.998) 15.262 17.653 ( -19.750 -12.584 2.678) 23.571 18.327 ( -11.931 -10.153 3.316) 16.014 21.395 ( 37.260 11.491 18.392) 43.112 ======================= Grid point 967 (353/891) ======================= q-point: (-0.24 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.335 ( -32.860 -33.143 -11.765) 48.131 8.414 ( -38.552 10.530 -9.229) 41.016 9.290 ( -25.223 3.572 5.694) 26.103 11.851 ( -6.066 -4.590 6.906) 10.274 12.431 ( -3.678 -2.999 -0.320) 4.757 12.768 ( -13.833 6.180 1.156) 15.195 13.767 ( -27.376 -17.636 -3.722) 32.777 14.642 ( 39.771 8.762 -16.551) 43.959 15.468 ( -13.095 0.850 -0.162) 13.123 17.301 ( -11.235 -3.913 -9.393) 15.158 18.054 ( -10.377 -8.128 8.713) 15.801 22.159 ( 33.375 9.543 17.206) 38.743 ======================= Grid point 968 (354/891) ======================= q-point: (-0.19 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.335 ( -41.097 -33.033 -10.576) 53.777 7.683 ( -50.074 2.607 -10.965) 51.327 8.982 ( -18.778 4.122 5.488) 19.993 11.594 ( -23.280 -13.578 17.213) 31.978 12.190 ( -8.958 -10.546 -6.787) 15.412 12.650 ( -15.486 6.316 -4.165) 17.236 12.936 ( -36.943 -14.560 -8.317) 40.570 15.064 ( -1.926 -11.654 1.137) 11.867 15.572 ( 25.048 11.913 -3.556) 27.964 17.110 ( -2.756 5.369 -21.209) 22.051 17.949 ( 0.883 -1.988 13.757) 13.928 22.829 ( 29.221 7.442 14.634) 33.517 ======================= Grid point 969 (355/891) ======================= q-point: (-0.14 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.247 ( -45.536 -31.272 -6.936) 55.674 6.729 ( -57.274 -1.819 -11.152) 58.378 8.735 ( -16.354 2.524 3.221) 16.858 10.803 ( -53.888 -27.594 19.787) 63.693 11.717 ( -38.356 -18.928 -8.710) 43.650 12.135 ( -3.975 -6.964 -7.238) 10.802 12.737 ( -9.592 16.790 -3.831) 19.713 14.804 ( -9.158 -15.949 1.122) 18.426 15.720 ( -14.075 -5.967 -4.159) 15.843 17.417 ( 31.660 19.368 -25.688) 45.137 18.143 ( 14.580 4.716 18.960) 24.378 23.395 ( 24.962 5.082 10.774) 27.658 ======================= Grid point 970 (356/891) ======================= q-point: (-0.10 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.154 ( -46.978 -27.436 0.072) 54.402 5.649 ( -62.026 -3.322 -10.281) 62.960 8.488 ( -15.109 0.071 0.436) 15.115 9.418 ( -77.014 -34.089 16.781) 85.877 10.871 ( -35.664 -16.493 -8.585) 40.220 12.093 ( 1.390 -0.414 -0.918) 1.716 12.726 ( -9.204 15.498 -2.912) 18.259 14.465 ( -8.933 -23.115 -0.551) 24.787 15.208 ( -32.546 -3.011 -4.948) 33.057 17.986 ( 22.687 10.158 -26.383) 36.248 18.758 ( 37.699 14.800 21.157) 45.693 23.847 ( 20.651 2.244 5.608) 21.516 ======================= Grid point 976 (357/891) ======================= q-point: ( 0.19 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -0.000 52.353 11.562) 53.615 2.830 ( -0.000 18.570 58.883) 61.742 5.002 ( -0.000 98.403 24.027) 101.294 7.834 ( 0.000 8.334 -5.386) 9.922 8.656 ( 0.000 35.706 -19.185) 40.534 12.494 ( 0.000 0.330 -2.180) 2.205 12.860 ( -0.000 -16.681 23.838) 29.095 13.111 ( -0.000 21.192 2.967) 21.398 14.202 ( -0.000 5.764 1.350) 5.920 18.000 ( 0.000 -2.840 -39.846) 39.947 20.740 ( -0.000 -1.855 4.001) 4.410 24.420 ( 0.000 -10.762 -9.219) 14.171 ======================= Grid point 977 (358/891) ======================= q-point: ( 0.24 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.273 ( 17.147 24.689 46.625) 55.475 3.449 ( 35.152 43.486 14.475) 57.760 6.163 ( 14.907 94.838 16.634) 97.433 7.951 ( 4.511 11.840 -4.993) 13.619 9.065 ( 13.417 34.841 -17.456) 41.215 12.456 ( -2.097 -2.442 3.196) 4.536 12.869 ( 7.562 -7.720 14.965) 18.459 13.405 ( 6.117 20.768 0.818) 21.666 14.383 ( 11.356 11.047 1.824) 15.948 17.811 ( -1.519 -7.060 -36.624) 37.330 20.658 ( -2.716 -17.723 12.274) 21.729 24.137 ( -16.025 -8.917 -13.930) 23.029 ======================= Grid point 978 (359/891) ======================= q-point: ( 0.29 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.979 ( 23.943 21.879 44.648) 55.185 4.671 ( 48.457 43.632 5.556) 65.442 7.385 ( 22.158 73.477 3.504) 76.826 8.220 ( 9.083 27.150 0.350) 28.631 9.658 ( 24.307 31.331 -14.276) 42.146 12.416 ( -0.764 -4.301 6.599) 7.914 12.997 ( 1.767 8.469 5.145) 10.065 13.715 ( 16.355 3.146 1.641) 16.735 14.791 ( 16.977 18.884 1.539) 25.440 17.570 ( -3.204 -9.821 -31.849) 33.482 20.374 ( -10.172 -28.672 21.272) 37.122 23.650 ( -24.413 -6.983 -20.012) 32.330 ======================= Grid point 979 (360/891) ======================= q-point: ( 0.33 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.814 ( 32.158 22.852 34.829) 52.626 5.924 ( 46.282 42.576 4.723) 63.063 8.109 ( 10.970 25.171 -12.763) 30.279 8.990 ( 21.876 63.479 8.379) 67.663 10.416 ( 35.437 28.619 -9.983) 46.631 12.384 ( -0.159 -5.277 6.409) 8.303 13.108 ( -5.965 18.814 0.743) 19.751 14.040 ( 23.613 -7.075 1.138) 24.677 15.271 ( 16.036 17.796 -1.173) 23.984 17.320 ( -2.702 -9.687 -24.525) 26.507 19.917 ( -17.397 -32.080 28.964) 46.591 23.062 ( -27.143 -6.940 -25.325) 37.766 ======================= Grid point 980 (361/891) ======================= q-point: ( 0.38 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.731 ( 37.092 21.839 26.206) 50.394 7.095 ( 40.118 42.762 3.761) 58.755 8.414 ( 5.883 21.249 -13.176) 25.685 9.949 ( 20.432 49.667 0.553) 53.709 11.355 ( 43.716 28.553 -6.295) 52.592 12.351 ( 0.332 -5.281 4.718) 7.089 13.163 ( -11.206 22.308 -1.211) 24.994 14.382 ( 24.789 -8.060 0.341) 26.068 15.612 ( 9.790 7.080 -4.407) 12.860 17.167 ( 2.040 -4.636 -15.631) 16.431 19.387 ( -21.490 -27.892 33.571) 48.650 22.434 ( -26.647 -9.250 -27.684) 39.523 ======================= Grid point 981 (362/891) ======================= q-point: ( 0.43 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.654 ( 38.405 18.572 18.934) 46.673 8.141 ( 32.247 41.913 2.722) 52.953 8.672 ( 3.246 25.324 -12.353) 28.362 10.648 ( 16.397 31.403 -4.526) 35.714 12.216 ( 17.978 4.253 -13.000) 22.590 12.419 ( 20.668 12.985 5.344) 24.987 13.166 ( -13.156 23.588 -0.539) 27.014 14.713 ( 21.839 -6.369 -0.038) 22.749 15.756 ( 8.650 -1.950 0.784) 8.901 17.177 ( 5.120 0.184 -11.982) 13.032 18.910 ( -20.253 -17.569 33.542) 42.940 21.796 ( -24.596 -13.353 -26.073) 38.250 ======================= Grid point 982 (363/891) ======================= q-point: ( 0.48 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.497 ( 35.202 13.075 12.494) 39.576 8.894 ( 6.422 28.524 -6.079) 29.863 9.082 ( 19.634 41.447 -3.040) 45.963 11.113 ( 12.017 18.596 -5.921) 22.919 12.213 ( -0.010 -4.925 -10.386) 11.494 12.819 ( -1.151 8.172 -9.119) 12.299 13.344 ( 6.705 25.255 2.818) 26.281 14.975 ( 16.347 -7.656 0.910) 18.074 16.005 ( 20.468 0.763 11.789) 23.632 17.201 ( 1.212 1.483 -11.359) 11.519 18.616 ( -12.262 -5.881 26.628) 29.899 21.164 ( -22.164 -18.250 -20.758) 35.429 ======================= Grid point 983 (364/891) ======================= q-point: ( 0.52 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.149 ( 24.871 7.145 6.481) 26.676 9.241 ( 5.950 31.006 -7.628) 32.480 9.779 ( 14.324 37.432 -0.339) 40.081 11.392 ( 6.317 10.585 -5.013) 13.307 12.104 ( -2.574 -3.244 -13.590) 14.207 12.726 ( -12.191 8.862 -4.979) 15.873 13.649 ( 4.046 14.456 -1.440) 15.080 15.114 ( 10.798 -13.173 1.931) 17.142 16.417 ( 11.586 4.781 9.614) 15.796 17.303 ( 15.161 9.005 -0.942) 17.659 18.538 ( -2.605 -0.706 15.239) 15.477 20.544 ( -20.407 -22.907 -13.253) 33.419 ======================= Grid point 984 (365/891) ======================= q-point: ( 0.57 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.517 ( 10.573 4.741 2.327) 11.818 9.638 ( 8.360 27.121 -10.369) 30.215 10.274 ( 4.762 29.634 2.247) 30.098 11.517 ( -0.106 8.628 -1.774) 8.810 12.020 ( 0.244 0.647 -12.091) 12.111 12.595 ( -12.797 11.013 -2.930) 17.136 13.796 ( 2.710 8.330 -3.754) 9.530 15.068 ( 2.301 -20.312 -0.204) 20.443 16.471 ( -11.385 13.310 -3.806) 17.924 17.920 ( 34.284 9.964 16.933) 39.514 18.598 ( 7.677 -0.149 5.766) 9.602 19.927 ( -19.963 -26.427 -5.931) 33.647 ======================= Grid point 985 (366/891) ======================= q-point: ( 0.62 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.643 ( 0.283 1.675 0.228) 1.714 9.871 ( -4.062 17.665 -16.296) 24.374 10.569 ( -2.905 25.177 7.427) 26.410 11.625 ( 2.814 11.629 4.186) 12.676 12.025 ( 2.034 2.132 -10.180) 10.598 12.503 ( -10.550 13.926 -2.509) 17.650 13.915 ( 5.796 5.025 -5.303) 9.326 14.803 ( -6.308 -22.644 -6.554) 24.403 16.374 ( -15.518 18.076 -6.761) 24.764 18.365 ( 4.346 -3.200 15.586) 16.494 19.061 ( 36.744 7.740 7.229) 38.240 19.317 ( -15.636 -27.467 0.807) 31.616 ======================= Grid point 986 (367/891) ======================= q-point: (-0.33 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.553 ( -8.125 -6.917 -2.418) 10.941 9.763 ( -18.890 15.053 -13.720) 27.778 10.660 ( -19.495 23.610 5.563) 31.119 11.878 ( 9.489 3.543 8.594) 13.284 12.085 ( 8.781 8.753 -6.147) 13.839 12.508 ( -5.767 16.209 -2.392) 17.370 14.049 ( 6.410 2.757 -4.560) 8.335 14.410 ( -9.512 -19.576 -15.947) 26.982 16.242 ( -17.195 15.207 -5.724) 23.658 18.289 ( -10.310 -11.634 12.198) 19.760 18.723 ( -15.320 -21.259 -1.464) 26.245 19.966 ( 46.067 6.676 15.257) 48.984 ======================= Grid point 987 (368/891) ======================= q-point: (-0.29 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.192 ( -18.561 -18.032 -5.716) 26.502 9.503 ( -26.128 19.069 -9.359) 33.673 10.407 ( -34.941 18.876 3.471) 39.865 11.924 ( -0.071 -2.687 0.336) 2.709 12.540 ( 9.413 7.324 12.630) 17.371 12.597 ( 11.583 17.969 -4.511) 21.850 14.020 ( -8.345 -4.605 -12.913) 16.050 14.141 ( 4.079 -7.763 -14.715) 17.130 16.034 ( -18.994 7.638 -3.250) 20.729 17.875 ( -20.590 -16.223 5.884) 26.866 18.395 ( -7.691 -12.168 2.258) 14.571 20.845 ( 43.760 5.263 15.631) 46.765 ======================= Grid point 988 (369/891) ======================= q-point: (-0.24 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.544 ( -29.720 -24.316 -6.976) 39.028 9.163 ( -34.023 19.167 -9.708) 40.239 9.939 ( -38.364 14.468 4.593) 41.258 11.890 ( -1.523 -2.401 2.538) 3.811 12.507 ( -8.002 -4.913 1.613) 9.527 13.019 ( 1.746 15.786 4.196) 16.428 13.934 ( -9.002 -13.671 -19.257) 25.274 14.083 ( 20.345 7.681 -4.161) 22.141 15.732 ( -18.458 -1.508 -0.463) 18.525 17.453 ( -14.765 -6.457 -3.559) 16.504 18.159 ( -8.977 -9.927 6.420) 14.845 21.652 ( 40.033 3.554 14.051) 42.576 ======================= Grid point 989 (370/891) ======================= q-point: (-0.19 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.691 ( -38.610 -25.294 -5.543) 46.489 8.592 ( -48.802 14.362 -11.635) 52.185 9.493 ( -30.480 11.638 5.324) 33.058 11.812 ( -8.692 -5.284 9.525) 13.936 12.215 ( -11.022 -13.631 -4.301) 18.049 13.059 ( -17.193 17.840 -3.947) 25.089 13.352 ( -30.474 -14.334 -7.822) 34.573 14.704 ( 33.287 1.415 -1.616) 33.356 15.451 ( -5.824 -3.362 -0.202) 6.727 17.216 ( -9.217 4.034 -13.819) 17.093 17.981 ( -4.215 -6.311 11.679) 13.928 22.365 ( 35.713 1.704 10.967) 37.398 ======================= Grid point 990 (371/891) ======================= q-point: (-0.14 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.729 ( -44.627 -22.569 -1.581) 50.035 7.742 ( -59.346 9.916 -10.792) 61.129 9.144 ( -24.416 7.857 2.684) 25.789 11.379 ( -33.666 -18.825 13.756) 40.951 12.015 ( -4.121 -2.900 -4.648) 6.856 12.321 ( -43.662 -19.072 -7.914) 48.299 13.143 ( -14.216 24.742 -4.542) 28.894 14.775 ( -6.533 -19.291 1.079) 20.396 15.664 ( 16.286 1.116 -2.259) 16.480 17.176 ( 5.744 13.725 -19.270) 24.346 18.023 ( 8.399 -0.859 16.195) 18.264 22.969 ( 31.092 -0.473 6.533) 31.775 ======================= Grid point 991 (372/891) ======================= q-point: (-0.10 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.751 ( -47.767 -16.248 5.493) 50.753 6.734 ( -64.748 7.719 -8.716) 65.786 8.815 ( -21.233 3.190 -0.786) 21.485 10.392 ( -62.694 -24.482 14.103) 68.766 11.335 ( -39.983 -11.093 -9.977) 42.676 12.060 ( 2.032 0.095 0.819) 2.193 13.127 ( -14.847 24.503 -3.705) 28.889 14.400 ( -10.521 -24.141 -0.030) 26.334 15.617 ( -17.267 -1.292 -3.309) 17.629 17.570 ( 26.128 12.702 -24.868) 38.242 18.388 ( 25.906 5.022 23.466) 35.313 23.452 ( 26.281 -3.231 0.775) 26.491 ======================= Grid point 998 (373/891) ======================= q-point: ( 0.24 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.592 ( -0.000 54.703 7.100) 55.162 3.615 ( -0.000 24.786 48.715) 54.658 7.060 ( -0.000 96.909 15.023) 98.067 7.999 ( 0.000 11.920 -5.033) 12.939 9.261 ( 0.000 38.312 -17.978) 42.320 12.476 ( 0.000 -0.234 -3.092) 3.101 12.660 ( -0.000 -16.594 21.411) 27.089 13.725 ( -0.000 36.495 -2.796) 36.602 14.363 ( -0.000 9.379 2.191) 9.632 17.622 ( 0.000 -9.589 -34.900) 36.193 20.519 ( -0.000 -25.628 16.118) 30.275 24.135 ( 0.000 -9.963 -15.384) 18.328 ======================= Grid point 999 (374/891) ======================= q-point: ( 0.29 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.090 ( 9.347 27.969 42.949) 52.099 4.450 ( 31.309 50.747 4.987) 59.837 7.922 ( -3.646 54.363 -1.484) 54.505 8.351 ( 17.927 51.850 7.071) 55.316 9.656 ( 9.333 36.566 -16.799) 41.308 12.419 ( -2.254 -4.249 5.148) 7.045 12.759 ( 17.644 -9.643 9.099) 22.070 13.921 ( -12.507 28.821 -1.834) 31.471 14.672 ( 17.640 17.315 0.976) 24.738 17.392 ( -1.188 -12.113 -30.939) 33.247 20.257 ( -4.052 -33.052 20.688) 39.203 23.852 ( -14.706 -9.281 -18.148) 25.134 ======================= Grid point 1000 (375/891) ======================= q-point: ( 0.33 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.746 ( 19.266 27.925 36.864) 50.099 5.592 ( 43.101 47.013 2.121) 63.815 8.223 ( 2.901 25.885 -10.145) 27.953 9.383 ( 16.588 74.168 10.981) 76.789 10.181 ( 20.482 31.483 -15.374) 40.584 12.366 ( -1.081 -5.429 7.234) 9.109 13.069 ( 22.335 -2.520 2.448) 22.610 13.953 ( -9.489 19.452 -0.851) 21.660 15.164 ( 16.735 18.304 -1.704) 24.859 17.155 ( -0.594 -12.546 -24.311) 27.364 19.886 ( -8.312 -35.858 25.219) 44.620 23.360 ( -24.237 -8.603 -21.242) 33.357 ======================= Grid point 1001 (376/891) ======================= q-point: ( 0.38 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.520 ( 26.455 26.817 29.214) 47.671 6.797 ( 44.400 43.886 0.679) 62.433 8.511 ( 5.337 26.342 -12.258) 29.541 10.262 ( 6.791 55.457 4.223) 56.031 10.937 ( 36.378 33.083 -10.671) 50.316 12.325 ( -0.557 -4.449 6.740) 8.095 13.432 ( 12.860 11.109 -0.898) 17.018 14.009 ( 2.728 6.556 -0.555) 7.122 15.514 ( 8.899 8.438 -4.853) 13.188 17.006 ( 3.796 -7.580 -15.505) 17.671 19.468 ( -11.169 -32.483 28.921) 44.903 22.740 ( -28.897 -9.480 -23.547) 38.463 ======================= Grid point 1002 (377/891) ======================= q-point: ( 0.43 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.344 ( 30.329 23.951 21.900) 44.419 7.934 ( 39.749 40.495 -0.895) 56.750 8.838 ( 5.015 31.218 -12.759) 34.096 10.800 ( 5.455 35.783 -1.228) 36.218 11.819 ( 32.172 20.348 -12.991) 40.223 12.348 ( 4.312 5.177 7.998) 10.458 13.643 ( -9.823 27.369 -1.376) 29.111 14.225 ( 23.321 -7.544 -0.828) 24.525 15.614 ( 4.225 -3.595 -2.359) 6.028 17.033 ( 7.509 -0.244 -10.322) 12.767 19.092 ( -11.780 -23.595 30.405) 40.248 22.050 ( -29.730 -12.487 -23.857) 40.112 ======================= Grid point 1003 (378/891) ======================= q-point: ( 0.48 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.143 ( 30.453 19.552 15.222) 39.260 8.879 ( 27.297 31.624 -5.343) 42.116 9.244 ( 8.248 41.345 -9.032) 43.117 11.173 ( 4.873 24.323 -2.461) 24.928 12.095 ( 5.366 -3.805 -12.457) 14.087 12.730 ( 15.021 13.745 -1.485) 20.415 13.722 ( -11.699 31.810 1.602) 33.931 14.566 ( 23.138 -7.781 -0.468) 24.415 15.699 ( 14.375 -6.116 6.150) 16.789 17.130 ( 5.353 2.940 -9.447) 11.250 18.824 ( -10.221 -12.623 27.520) 31.956 21.336 ( -27.682 -17.447 -21.246) 39.014 ======================= Grid point 1004 (379/891) ======================= q-point: ( 0.52 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.838 ( 26.204 14.333 9.101) 31.223 9.408 ( 8.654 29.791 -11.579) 33.113 9.890 ( 16.470 40.294 -1.954) 43.573 11.437 ( 3.242 17.519 -2.118) 17.942 12.057 ( 0.052 -1.718 -13.758) 13.865 12.897 ( -1.789 4.639 -4.468) 6.685 13.887 ( -7.124 28.060 0.931) 28.965 14.793 ( 13.429 -10.733 1.815) 17.287 16.083 ( 29.613 -0.811 10.262) 31.351 17.223 ( 4.791 6.965 -6.347) 10.571 18.671 ( -7.483 -5.055 19.878) 21.833 20.633 ( -23.884 -23.517 -15.556) 36.952 ======================= Grid point 1005 (380/891) ======================= q-point: ( 0.57 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.351 ( 17.316 9.357 3.787) 20.043 9.780 ( 5.373 30.324 -12.947) 33.407 10.459 ( 9.370 29.313 2.101) 30.846 11.627 ( 1.011 15.519 -1.202) 15.599 12.007 ( -1.235 4.732 -13.774) 14.616 12.848 ( -6.674 5.661 -2.581) 9.124 13.974 ( -9.743 19.739 -1.954) 22.099 14.828 ( 5.291 -15.714 2.035) 16.706 16.575 ( 15.402 7.943 1.650) 17.408 17.508 ( 23.831 8.564 6.016) 26.028 18.587 ( -3.736 -3.392 11.118) 12.210 19.962 ( -20.034 -29.079 -8.112) 36.232 ======================= Grid point 1006 (381/891) ======================= q-point: ( 0.62 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.622 ( 5.755 4.220 -0.119) 7.138 10.068 ( 0.051 26.202 -15.819) 30.607 10.824 ( 4.094 21.312 9.846) 23.831 11.767 ( -0.642 12.512 -0.942) 12.564 12.035 ( -1.579 13.948 -11.464) 18.124 12.790 ( -7.742 9.503 -1.999) 12.420 13.963 ( -7.146 11.262 -4.456) 14.062 14.685 ( -3.419 -15.881 -1.264) 16.294 16.737 ( -7.086 17.091 -6.875) 19.738 18.164 ( 31.288 1.981 18.876) 36.595 18.591 ( 12.013 -3.985 3.495) 13.131 19.326 ( -17.714 -31.728 -1.876) 36.387 ======================= Grid point 1007 (382/891) ======================= q-point: (-0.33 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.623 ( -6.000 -2.805 -2.667) 7.140 10.161 ( -11.125 23.210 -14.682) 29.631 11.126 ( -0.211 23.000 13.202) 26.521 11.843 ( 1.154 3.729 0.424) 3.926 12.120 ( -3.452 18.670 -8.788) 20.921 12.762 ( -7.252 11.944 -2.174) 14.141 13.944 ( 0.878 -0.209 -7.926) 7.977 14.429 ( -10.761 -6.650 -5.017) 13.608 16.674 ( -16.672 16.736 -7.248) 24.710 18.335 ( -2.610 -8.979 12.362) 15.501 18.727 ( -14.019 -30.835 0.675) 33.879 19.238 ( 47.892 1.815 10.777) 49.123 ======================= Grid point 1008 (383/891) ======================= q-point: (-0.29 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.348 ( -17.285 -10.164 -3.902) 20.427 10.076 ( -20.339 23.727 -11.107) 33.166 11.210 ( -25.989 26.657 7.616) 38.001 11.896 ( 1.734 -1.232 2.537) 3.311 12.327 ( 15.009 14.397 -1.284) 20.838 12.738 ( -5.706 5.015 -3.395) 8.321 13.897 ( 3.042 -10.174 -14.611) 18.063 14.230 ( -11.417 9.944 -3.329) 15.502 16.448 ( -21.883 7.555 -4.250) 23.537 18.054 ( -17.238 -18.500 7.959) 26.509 18.361 ( -2.932 -14.462 1.370) 14.819 20.123 ( 49.169 -0.159 12.351) 50.697 ======================= Grid point 1009 (384/891) ======================= q-point: (-0.24 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.827 ( -27.664 -14.639 -3.483) 31.492 9.862 ( -27.948 22.711 -10.260) 37.445 10.856 ( -43.675 22.810 4.277) 49.459 11.898 ( -0.717 -0.113 2.176) 2.294 12.576 ( -7.941 -10.541 1.471) 13.280 12.883 ( 28.773 12.430 -2.076) 31.412 13.794 ( -0.822 -2.114 -17.356) 17.503 14.170 ( -9.268 12.291 0.549) 15.403 16.055 ( -23.607 -5.979 -0.387) 24.355 17.636 ( -15.539 -8.494 0.005) 17.708 18.196 ( -4.677 -10.396 4.833) 12.382 20.967 ( 46.250 -1.578 10.505) 47.455 ======================= Grid point 1010 (385/891) ======================= q-point: (-0.19 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.121 ( -36.415 -15.104 -1.264) 39.443 9.472 ( -38.934 19.051 -11.895) 44.948 10.289 ( -44.683 15.975 4.133) 47.632 11.892 ( -2.141 0.405 4.871) 5.336 12.253 ( -11.717 -16.912 -3.834) 20.929 13.377 ( 6.286 12.463 -6.314) 15.321 13.608 ( -13.573 -3.354 -6.730) 15.517 14.282 ( 12.634 12.667 2.014) 18.004 15.581 ( -18.004 -14.301 1.110) 23.019 17.381 ( -10.141 2.844 -7.583) 12.978 18.034 ( -5.643 -7.815 8.915) 13.130 21.726 ( 41.998 -2.957 6.941) 42.671 ======================= Grid point 1011 (386/891) ======================= q-point: (-0.14 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.311 ( -42.920 -11.632 2.946) 44.565 8.804 ( -53.947 14.463 -11.312) 56.986 9.737 ( -35.229 8.397 1.975) 36.270 11.706 ( -20.659 -13.340 6.430) 25.419 11.997 ( -0.292 -1.927 -3.415) 3.932 12.896 ( -39.930 -12.234 -6.849) 42.320 13.625 ( -11.324 27.987 -3.504) 30.394 14.606 ( 8.110 -12.738 1.539) 15.179 15.357 ( 11.372 -4.283 0.276) 12.155 17.270 ( -6.267 9.717 -13.086) 17.463 17.962 ( 1.376 -4.691 14.458) 15.262 22.378 ( 37.036 -4.624 2.016) 37.378 ======================= Grid point 1012 (387/891) ======================= q-point: (-0.10 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.484 ( -46.678 -4.278 9.468) 47.821 7.891 ( -62.750 10.644 -7.838) 64.128 9.254 ( -27.840 1.608 -2.268) 27.978 11.083 ( -38.228 -16.479 5.428) 41.981 11.975 ( -34.133 0.475 -5.874) 34.638 12.056 ( -12.301 -2.624 1.983) 12.733 13.647 ( -16.883 27.426 -4.143) 32.471 14.332 ( -8.872 -24.502 0.164) 26.060 15.656 ( 11.903 0.554 -2.121) 12.103 17.317 ( 7.209 11.548 -16.256) 21.203 18.127 ( 15.525 -1.507 20.702) 25.920 22.903 ( 31.623 -6.825 -4.134) 32.614 ======================= Grid point 1020 (388/891) ======================= q-point: ( 0.29 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.455 ( -0.000 30.944 37.595) 48.692 4.706 ( -0.000 54.171 5.489) 54.448 8.228 ( 0.000 14.497 -4.294) 15.119 8.968 ( -0.000 88.971 5.286) 89.127 9.905 ( 0.000 38.659 -15.167) 41.528 12.446 ( 0.000 -0.615 -3.386) 3.441 12.498 ( -0.000 -12.762 16.425) 20.800 14.443 ( 0.000 37.778 -3.950) 37.984 14.592 ( -0.000 11.968 2.576) 12.242 17.170 ( 0.000 -14.675 -27.593) 31.253 20.016 ( -0.000 -36.860 21.535) 42.690 23.817 ( 0.000 -10.908 -18.522) 21.495 ======================= Grid point 1021 (389/891) ======================= q-point: ( 0.33 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.943 ( 7.220 32.573 33.165) 47.042 5.482 ( 25.682 51.057 3.540) 57.262 8.378 ( 2.007 18.420 -5.603) 19.358 9.910 ( 12.459 76.183 -2.066) 77.223 10.273 ( 3.026 38.440 -10.081) 39.855 12.365 ( -2.088 -5.006 7.457) 9.221 12.645 ( 18.542 -5.893 3.352) 19.742 14.442 ( -17.851 24.274 -0.414) 30.134 15.064 ( 16.915 22.275 -2.175) 28.054 16.936 ( 0.683 -15.843 -21.627) 26.818 19.695 ( -2.961 -37.525 22.823) 44.021 23.523 ( -13.622 -11.392 -19.652) 26.486 ======================= Grid point 1022 (390/891) ======================= q-point: ( 0.38 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.554 ( 15.002 31.735 28.244) 45.054 6.524 ( 37.894 46.234 1.090) 59.789 8.633 ( 6.272 23.873 -8.041) 25.959 10.653 ( 9.739 28.762 -13.230) 33.123 10.844 ( 13.404 63.210 -1.025) 64.624 12.333 ( -0.937 -1.069 8.805) 8.919 13.005 ( 27.953 -3.823 0.256) 28.214 14.380 ( -16.784 22.990 -0.435) 28.468 15.449 ( 8.151 11.786 -4.728) 15.090 16.786 ( 5.690 -10.900 -13.255) 18.080 19.356 ( -4.430 -33.615 24.222) 41.669 23.019 ( -23.667 -11.921 -20.768) 33.668 ======================= Grid point 1023 (391/891) ======================= q-point: ( 0.43 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.246 ( 20.622 29.130 22.349) 42.110 7.627 ( 40.502 40.089 -1.242) 57.001 9.002 ( 8.578 31.396 -9.844) 34.003 11.024 ( 6.742 25.379 -6.525) 27.058 11.566 ( 17.363 28.558 -11.902) 35.478 12.414 ( 1.628 13.670 9.938) 16.978 13.497 ( 32.226 -1.167 -0.789) 32.257 14.312 ( -16.779 21.669 -0.676) 27.414 15.533 ( 0.300 -2.921 -3.120) 4.285 16.845 ( 10.617 -0.497 -7.644) 13.092 19.069 ( -4.301 -25.868 25.136) 36.325 22.364 ( -29.780 -13.577 -21.209) 39.000 ======================= Grid point 1024 (392/891) ======================= q-point: ( 0.48 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.956 ( 23.368 25.039 16.331) 37.944 8.624 ( 35.095 31.352 -4.948) 47.319 9.477 ( 9.605 40.768 -9.168) 42.876 11.331 ( 4.539 20.908 -3.304) 21.648 11.872 ( 10.905 -0.575 -14.193) 17.908 12.718 ( 6.292 21.471 4.053) 22.739 14.038 ( 31.046 -4.045 -0.329) 31.310 14.264 ( -14.267 28.875 0.702) 32.215 15.481 ( 3.308 -9.133 3.327) 10.268 17.020 ( 8.893 5.035 -6.695) 12.218 18.877 ( -3.462 -17.102 24.232) 29.861 21.615 ( -32.145 -16.932 -20.267) 41.602 ======================= Grid point 1025 (393/891) ======================= q-point: ( 0.52 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.620 ( 22.793 19.899 10.516) 32.032 9.369 ( 23.167 25.309 -10.445) 35.866 10.052 ( 11.051 42.332 -4.509) 43.983 11.567 ( 2.419 16.965 -1.885) 17.240 11.952 ( 6.761 -0.097 -14.063) 15.604 12.936 ( 0.650 8.380 -1.017) 8.467 14.232 ( 3.175 3.985 1.001) 5.192 14.589 ( 5.279 24.546 2.338) 25.216 15.590 ( 22.091 -10.059 7.836) 25.507 17.189 ( 5.907 8.473 -5.595) 11.747 18.763 ( -3.465 -10.450 20.458) 23.232 20.819 ( -30.940 -22.100 -17.272) 41.761 ======================= Grid point 1026 (394/891) ======================= q-point: ( 0.57 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.170 ( 18.553 14.037 5.020) 23.800 9.879 ( 12.881 26.444 -13.835) 32.505 10.577 ( 8.793 28.792 1.884) 30.164 11.727 ( 1.883 9.776 -4.347) 10.864 12.063 ( 3.215 16.180 -11.822) 20.295 12.942 ( -3.279 1.581 -1.317) 3.871 14.342 ( 0.300 9.915 -0.080) 9.919 14.720 ( -9.371 10.256 4.650) 14.650 16.113 ( 39.183 -1.530 6.397) 39.732 17.370 ( 7.111 10.092 -2.148) 12.532 18.671 ( -4.796 -6.970 14.576) 16.853 20.030 ( -26.478 -28.531 -11.876) 40.696 ======================= Grid point 1027 (395/891) ======================= q-point: ( 0.62 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.537 ( 10.537 7.545 0.326) 12.964 10.248 ( 5.228 27.277 -15.251) 31.685 10.935 ( 6.553 16.250 9.444) 19.905 11.805 ( 1.857 4.376 -6.728) 8.238 12.279 ( -1.362 28.611 -8.992) 30.022 12.899 ( -1.445 0.594 -1.451) 2.132 14.376 ( -17.163 21.776 -2.962) 27.884 14.609 ( -4.108 -5.761 4.594) 8.436 16.756 ( 24.892 10.280 -1.331) 26.964 17.674 ( 22.887 2.826 7.282) 24.184 18.553 ( -5.619 -6.597 8.043) 11.823 19.299 ( -19.601 -33.674 -4.772) 39.254 ======================= Grid point 1028 (396/891) ======================= q-point: ( 0.67 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.663 ( -0.463 0.953 -2.448) 2.667 10.484 ( -3.071 27.080 -15.245) 31.227 11.241 ( 8.918 13.148 14.701) 21.645 11.838 ( 1.030 1.499 -4.934) 5.259 12.462 ( -6.750 26.618 -7.980) 28.596 12.907 ( 0.001 3.582 -1.781) 4.000 14.123 ( -24.226 6.970 -4.906) 25.682 14.574 ( -4.764 8.881 0.186) 10.080 17.036 ( -6.122 17.860 -7.649) 20.370 18.216 ( 27.508 -12.381 18.208) 35.235 18.426 ( 3.846 -17.479 0.368) 17.901 18.752 ( -1.617 -19.754 1.212) 19.857 ======================= Grid point 1029 (397/891) ======================= q-point: (-0.29 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.525 ( -12.450 -4.294 -2.755) 13.454 10.567 ( -12.544 26.633 -13.923) 32.566 11.592 ( 8.495 14.152 11.749) 20.260 11.859 ( 2.790 0.518 3.421) 4.445 12.505 ( -10.477 18.619 -8.332) 22.932 12.885 ( -10.115 4.723 -1.973) 11.336 13.782 ( -9.576 -6.178 -8.575) 14.262 14.584 ( -11.546 21.909 -2.273) 24.870 16.878 ( -22.490 5.274 -4.733) 23.580 18.113 ( -7.788 -24.964 6.540) 26.956 18.239 ( -0.276 -11.903 3.241) 12.340 19.282 ( 49.832 -4.018 8.551) 50.720 ======================= Grid point 1030 (398/891) ======================= q-point: (-0.24 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.153 ( -23.430 -7.002 -1.257) 24.486 10.482 ( -21.784 24.293 -12.645) 34.994 11.673 ( -15.814 11.741 -2.402) 19.842 12.015 ( -6.379 11.918 19.072) 23.377 12.518 ( 6.663 -3.240 -15.271) 16.973 12.637 ( -9.219 1.324 2.472) 9.636 13.679 ( 4.877 -5.339 -7.973) 10.764 14.594 ( -15.122 27.805 -2.590) 31.757 16.394 ( -26.847 -13.460 -0.064) 30.032 17.795 ( -11.861 -8.055 1.247) 14.392 18.148 ( 0.069 -9.720 3.954) 10.494 20.131 ( 51.028 -5.365 7.005) 51.785 ======================= Grid point 1031 (399/891) ======================= q-point: (-0.19 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.606 ( -32.413 -6.587 1.536) 33.111 10.211 ( -30.770 19.494 -12.058) 38.370 11.254 ( -45.188 12.623 -1.092) 46.931 11.992 ( -7.015 7.495 7.399) 12.654 12.229 ( -7.820 -18.804 -6.026) 21.238 13.047 ( 29.440 5.825 -2.332) 30.101 13.681 ( 0.404 -2.402 -2.409) 3.425 14.601 ( -15.958 29.147 -0.954) 33.243 15.765 ( -24.289 -23.183 1.482) 33.610 17.562 ( -10.911 1.113 -3.343) 11.466 18.064 ( -2.782 -6.543 6.573) 9.683 20.934 ( 47.621 -6.067 3.087) 48.105 ======================= Grid point 1032 (400/891) ======================= q-point: (-0.14 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.958 ( -39.057 -2.744 5.673) 39.562 9.724 ( -41.606 13.881 -11.424) 45.323 10.511 ( -47.438 3.034 -1.577) 47.561 11.879 ( -13.253 -13.576 -1.396) 19.023 12.004 ( -1.651 4.768 2.644) 5.696 13.266 ( -11.884 -2.897 -11.988) 17.127 13.816 ( 15.202 9.941 6.504) 19.294 14.592 ( -15.264 15.174 1.247) 21.559 15.239 ( -7.586 -17.396 1.320) 19.024 17.429 ( -6.905 6.118 -7.948) 12.177 17.981 ( -3.350 -4.634 11.793) 13.106 21.641 ( 42.602 -6.987 -2.136) 43.224 ======================= Grid point 1033 (401/891) ======================= q-point: (-0.10 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.290 ( -43.061 4.545 11.269) 44.743 8.977 ( -55.215 8.942 -7.807) 56.476 9.771 ( -36.287 -4.969 -4.113) 36.856 11.461 ( -22.461 -10.396 -2.024) 24.833 12.052 ( 0.164 4.973 3.936) 6.344 12.758 ( -39.608 3.606 -5.766) 40.188 14.130 ( 2.919 15.973 -0.841) 16.259 14.241 ( -20.778 -15.289 -1.252) 25.828 15.344 ( 19.827 2.286 2.556) 20.121 17.378 ( -4.204 8.795 -11.412) 15.009 17.985 ( 4.778 -4.571 18.960) 20.080 22.224 ( 36.730 -8.438 -8.358) 38.603 ======================= Grid point 1042 (402/891) ======================= q-point: ( 0.33 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.323 ( -0.000 34.795 27.610) 44.419 5.783 ( -0.000 51.627 5.119) 51.880 8.503 ( 0.000 16.051 -3.469) 16.422 10.356 ( 0.000 47.127 -24.237) 52.994 10.758 ( -0.000 59.960 4.869) 60.158 12.407 ( -0.000 -5.028 14.821) 15.650 12.408 ( 0.000 -1.049 -2.943) 3.124 14.857 ( -0.000 13.149 2.250) 13.341 15.117 ( 0.000 33.009 -4.717) 33.344 16.691 ( 0.000 -18.456 -16.483) 24.745 19.428 ( -0.000 -35.922 21.164) 41.693 23.452 ( 0.000 -13.455 -19.440) 23.642 ======================= Grid point 1043 (403/891) ======================= q-point: ( 0.38 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.800 ( 5.725 34.874 23.946) 42.689 6.483 ( 21.109 47.927 3.579) 52.492 8.709 ( 6.254 18.826 -4.114) 20.260 10.718 ( 6.132 32.435 -22.671) 40.045 11.326 ( 1.100 47.152 -2.188) 47.216 12.409 ( 0.416 8.132 7.443) 11.032 12.587 ( 15.782 -0.667 5.597) 16.758 14.861 ( -13.182 18.295 0.901) 22.567 15.460 ( 4.816 17.848 -4.222) 18.962 16.521 ( 6.167 -13.567 -9.075) 17.448 19.156 ( -1.166 -30.496 20.037) 36.508 23.136 ( -12.828 -14.783 -19.619) 27.713 ======================= Grid point 1044 (404/891) ======================= q-point: ( 0.43 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.354 ( 11.304 32.750 20.165) 40.087 7.397 ( 32.081 41.236 0.943) 52.254 9.072 ( 12.911 25.689 -5.588) 29.289 11.047 ( 8.627 22.607 -17.000) 29.572 11.641 ( 1.664 16.685 -8.472) 18.786 12.625 ( 2.460 23.817 5.496) 24.566 12.968 ( 25.196 2.417 4.969) 25.795 14.798 ( -15.321 17.562 -0.087) 23.306 15.534 ( -2.928 0.156 -1.224) 3.178 16.621 ( 13.258 1.934 -4.057) 13.999 18.941 ( -0.962 -22.780 19.342) 29.899 22.608 ( -23.101 -16.167 -19.627) 34.355 ======================= Grid point 1045 (405/891) ======================= q-point: ( 0.48 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.948 ( 15.340 28.908 15.662) 36.281 8.325 ( 33.662 31.793 -2.474) 46.368 9.612 ( 16.785 36.065 -6.402) 40.292 11.342 ( 10.371 14.511 -10.804) 20.854 11.719 ( 2.407 1.785 -10.007) 10.446 12.910 ( 1.555 21.476 0.336) 21.535 13.483 ( 29.407 1.636 4.003) 29.723 14.706 ( -10.978 12.694 0.519) 16.791 15.466 ( -5.084 1.527 4.317) 6.843 16.891 ( 11.746 9.360 -3.406) 15.401 18.807 ( -0.190 -15.869 18.529) 24.396 21.917 ( -30.227 -18.335 -19.035) 40.152 ======================= Grid point 1046 (406/891) ======================= q-point: ( 0.52 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.531 ( 17.073 23.749 10.809) 31.182 9.117 ( 29.275 23.443 -6.419) 38.050 10.255 ( 13.636 41.695 -5.561) 44.219 11.625 ( 9.530 12.635 -3.822) 16.281 11.742 ( 7.250 -1.752 -12.994) 14.982 13.060 ( -2.597 10.812 -2.050) 11.307 13.932 ( 20.875 -4.821 3.929) 21.781 14.809 ( 11.199 13.678 2.751) 17.891 15.422 ( -8.532 8.194 6.585) 13.539 17.156 ( 7.842 12.586 -3.322) 15.197 18.733 ( 0.146 -12.006 16.880) 20.715 21.109 ( -33.963 -21.686 -17.428) 43.903 ======================= Grid point 1047 (407/891) ======================= q-point: ( 0.57 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.047 ( 15.939 17.483 5.821) 24.364 9.750 ( 23.429 20.438 -9.112) 32.398 10.764 ( 4.693 30.664 -1.386) 31.052 11.738 ( 1.843 4.678 -8.270) 9.679 12.038 ( 16.889 17.270 -8.189) 25.506 13.034 ( -5.956 2.022 -2.266) 6.686 14.162 ( 13.539 -5.239 6.695) 15.986 15.308 ( -10.440 39.525 2.297) 40.945 15.402 ( 28.891 -14.213 6.639) 32.875 17.380 ( 4.693 13.424 -2.835) 14.500 18.673 ( -0.564 -10.921 14.257) 17.968 20.238 ( -34.029 -26.198 -14.431) 45.305 ======================= Grid point 1048 (408/891) ======================= q-point: ( 0.62 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.435 ( 11.661 10.466 1.234) 15.718 10.263 ( 16.675 21.271 -10.318) 28.930 11.042 ( 2.145 16.327 5.402) 17.331 11.797 ( 1.753 6.427 -9.007) 11.203 12.454 ( 9.249 23.326 -7.784) 26.272 12.922 ( -4.781 -2.511 -2.782) 6.074 14.403 ( 13.384 3.302 8.063) 15.970 15.166 ( -28.367 22.818 2.539) 36.494 16.140 ( 45.642 2.785 3.142) 45.835 17.559 ( 3.723 9.641 -1.328) 10.420 18.586 ( -2.394 -10.669 10.923) 15.456 19.366 ( -29.773 -30.996 -9.807) 44.084 ======================= Grid point 1049 (409/891) ======================= q-point: ( 0.67 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.644 ( 4.400 4.043 -1.640) 6.197 10.659 ( 7.879 23.915 -12.211) 27.984 11.259 ( 6.375 9.709 11.554) 16.383 11.842 ( -0.656 5.467 -6.885) 8.816 12.711 ( -0.747 16.388 -7.137) 17.890 12.846 ( 3.240 -4.324 -2.160) 5.819 14.712 ( 6.651 18.024 4.684) 19.775 14.826 ( -37.535 21.300 -0.562) 43.161 16.943 ( 38.960 8.319 -0.731) 39.845 17.674 ( 7.276 -7.828 3.411) 11.218 18.443 ( -8.374 -8.903 5.239) 13.298 18.623 ( -13.657 -30.393 -1.820) 33.370 ======================= Grid point 1050 (410/891) ======================= q-point: (-0.29 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.649 ( -5.337 -0.174 -1.887) 5.664 10.902 ( -2.059 24.529 -15.495) 29.086 11.545 ( 11.043 8.518 12.133) 18.485 11.847 ( 0.111 1.964 0.756) 2.107 12.665 ( -6.397 -2.210 -6.836) 9.620 12.985 ( 8.868 5.758 -0.662) 10.594 14.299 ( -44.136 15.927 -4.447) 47.132 14.983 ( -4.505 29.689 0.782) 30.040 17.256 ( -19.842 -0.193 -4.862) 20.430 17.730 ( 25.609 -26.157 3.854) 36.808 18.217 ( -4.383 -8.499 5.075) 10.826 18.542 ( 26.405 -9.682 4.513) 28.483 ======================= Grid point 1051 (411/891) ======================= q-point: (-0.24 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.451 ( -16.200 -1.774 -0.062) 16.297 10.962 ( -12.002 22.581 -16.401) 30.380 11.728 ( 2.919 0.672 -6.822) 7.451 12.056 ( 14.770 8.005 22.601) 28.161 12.444 ( -7.578 -13.215 -5.839) 16.314 13.165 ( -6.809 17.912 0.536) 19.170 13.668 ( -31.370 0.443 -6.703) 32.081 15.140 ( -13.172 33.674 -2.104) 36.219 16.663 ( -25.694 -26.230 0.741) 36.725 17.853 ( 1.300 -1.177 -0.246) 1.770 18.070 ( -2.185 -8.829 3.673) 9.809 19.204 ( 51.224 -7.832 4.126) 51.983 ======================= Grid point 1052 (412/891) ======================= q-point: (-0.19 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.080 ( -25.911 -0.790 2.918) 26.087 10.813 ( -23.134 17.630 -13.822) 32.203 11.683 ( -5.216 -3.901 -12.168) 13.802 12.144 ( -7.029 -15.984 -4.506) 18.033 12.466 ( 0.286 11.742 25.684) 28.243 12.841 ( -24.403 12.199 -5.005) 27.737 13.556 ( 10.199 -1.677 -2.277) 10.584 15.197 ( -16.583 32.063 -2.214) 36.166 15.947 ( -26.624 -28.839 1.626) 39.283 17.742 ( -10.166 0.034 -1.412) 10.264 18.042 ( 1.703 -3.415 4.935) 6.238 20.024 ( 51.748 -7.407 -0.164) 52.276 ======================= Grid point 1053 (413/891) ======================= q-point: (-0.14 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.599 ( -33.026 2.978 6.709) 33.832 10.425 ( -32.658 8.770 -10.408) 35.380 11.232 ( -35.659 -8.626 -13.498) 39.092 11.902 ( -6.980 -9.659 -1.907) 12.069 12.245 ( -18.566 8.323 9.455) 22.436 13.096 ( 20.866 2.314 -4.915) 21.562 13.728 ( 6.593 6.711 8.173) 12.462 15.207 ( -29.126 21.399 0.724) 36.149 15.224 ( -12.137 -21.097 0.251) 24.340 17.575 ( -8.378 1.672 -4.269) 9.550 18.040 ( -2.281 -1.275 8.923) 9.297 20.789 ( 47.444 -7.439 -5.496) 48.337 ======================= Grid point 1054 (414/891) ======================= q-point: (-0.10 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.087 ( -37.281 9.635 11.265) 40.120 9.826 ( -40.149 1.761 -7.374) 40.859 10.369 ( -45.374 -11.811 -8.263) 47.609 11.655 ( -12.185 -6.525 -3.762) 14.325 12.165 ( -5.040 6.857 3.773) 9.309 13.224 ( -7.526 5.645 -13.173) 16.187 13.968 ( 6.221 -2.123 12.473) 14.099 14.592 ( -17.490 -11.049 -0.808) 20.704 15.275 ( -4.402 18.210 4.616) 19.295 17.476 ( -3.881 3.570 -7.730) 9.357 18.009 ( -3.549 -1.906 15.085) 15.613 21.441 ( 41.464 -8.221 -11.445) 43.793 ======================= Grid point 1064 (415/891) ======================= q-point: ( 0.38 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.176 ( -0.000 35.660 19.387) 40.589 6.785 ( -0.000 46.465 4.979) 46.731 8.809 ( 0.000 17.247 -2.691) 17.456 10.908 ( 0.000 30.561 -23.871) 38.779 11.629 ( 0.000 19.167 -6.457) 20.226 12.362 ( 0.000 -2.117 -2.082) 2.969 12.716 ( -0.000 29.630 15.339) 33.365 15.128 ( -0.000 12.990 1.424) 13.068 15.586 ( 0.000 10.067 -2.040) 10.271 16.323 ( 0.000 -3.977 -4.012) 5.649 18.957 ( -0.000 -23.630 16.579) 28.866 23.023 ( 0.000 -17.089 -19.243) 25.735 ======================= Grid point 1065 (416/891) ======================= q-point: ( 0.43 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.618 ( 4.307 34.170 16.454) 38.169 7.387 ( 16.933 40.983 3.491) 44.480 9.068 ( 10.703 20.397 -2.791) 23.203 11.124 ( 2.241 23.922 -21.246) 32.073 11.704 ( -0.276 4.306 -7.072) 8.285 12.464 ( 14.938 -2.490 -2.638) 15.372 13.085 ( 0.018 32.921 10.296) 34.494 15.139 ( -11.613 6.006 0.644) 13.090 15.567 ( 0.675 -5.835 3.738) 6.963 16.489 ( 8.846 17.960 -1.226) 20.058 18.814 ( -0.224 -15.593 14.127) 21.042 22.676 ( -12.269 -18.942 -18.978) 29.487 ======================= Grid point 1066 (417/891) ======================= q-point: ( 0.48 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.095 ( 8.088 30.666 13.620) 34.516 8.125 ( 25.386 31.822 0.493) 40.710 9.573 ( 21.738 28.309 -3.019) 35.819 11.301 ( 4.178 13.984 -16.296) 21.876 11.700 ( -0.271 2.090 -7.470) 7.762 12.758 ( 22.211 -2.480 -4.909) 22.882 13.398 ( 1.466 22.484 7.145) 23.638 14.889 ( -11.489 -11.593 3.238) 16.640 15.629 ( 0.494 10.560 6.175) 12.243 16.848 ( 8.316 23.145 -0.279) 24.595 18.733 ( -0.360 -9.694 12.534) 15.850 22.118 ( -22.632 -20.851 -18.430) 35.870 ======================= Grid point 1067 (418/891) ======================= q-point: ( 0.52 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.574 ( 10.736 25.596 10.211) 29.575 8.839 ( 27.204 22.513 -2.711) 35.415 10.306 ( 25.282 36.965 -3.183) 44.896 11.446 ( 9.558 3.471 -11.080) 15.039 11.707 ( 0.210 5.327 -7.424) 9.140 13.048 ( 13.342 -1.084 -7.456) 15.323 13.661 ( 10.061 8.343 7.981) 15.314 14.652 ( 0.664 -16.490 5.977) 17.552 15.786 ( -3.969 21.950 5.705) 23.024 17.196 ( 5.172 23.721 -0.165) 24.278 18.682 ( -0.793 -7.661 11.363) 13.728 21.387 ( -30.386 -23.245 -17.312) 41.992 ======================= Grid point 1068 (419/891) ======================= q-point: ( 0.57 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.015 ( 11.457 19.216 6.261) 23.231 9.477 ( 26.581 17.194 -4.352) 31.955 10.960 ( 8.119 29.862 -2.197) 31.024 11.686 ( 12.274 7.628 -13.501) 19.776 11.820 ( 14.999 9.913 -2.117) 18.103 13.103 ( -1.105 -2.137 -6.449) 6.883 13.935 ( 12.322 -0.453 10.955) 16.494 14.714 ( 25.274 -17.549 5.503) 31.257 15.947 ( -10.052 31.490 4.016) 33.299 17.477 ( 1.569 21.634 -0.847) 21.707 18.619 ( -1.383 -9.146 10.339) 13.873 20.529 ( -34.955 -26.156 -15.365) 46.283 ======================= Grid point 1069 (420/891) ======================= q-point: ( 0.62 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.367 ( 9.858 12.091 2.342) 15.776 10.057 ( 24.546 15.457 -4.166) 29.305 11.190 ( -0.316 12.369 1.952) 12.526 11.822 ( 1.905 12.025 -10.338) 15.972 12.369 ( 21.527 18.589 -5.967) 29.062 12.982 ( -5.844 -3.305 -5.602) 8.744 14.202 ( 16.712 1.863 14.720) 22.348 15.118 ( 36.118 -18.241 3.624) 40.625 16.099 ( -12.523 38.795 1.971) 40.814 17.658 ( -1.785 16.083 -2.124) 16.320 18.519 ( -1.631 -12.871 9.326) 15.978 19.608 ( -35.409 -28.370 -12.281) 47.005 ======================= Grid point 1070 (421/891) ======================= q-point: ( 0.67 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.596 ( 6.231 5.875 -0.321) 8.570 10.581 ( 20.225 15.807 -4.679) 26.092 11.301 ( 2.178 6.732 6.307) 9.478 11.928 ( -1.253 13.092 -8.722) 15.781 12.684 ( 6.793 -0.929 -0.617) 6.884 12.867 ( -4.554 4.905 -8.361) 10.710 14.680 ( 21.190 16.891 11.089) 29.280 15.425 ( 5.601 -0.635 2.028) 5.991 16.389 ( 12.820 22.893 1.407) 26.276 17.695 ( -5.760 4.158 -3.791) 8.052 18.372 ( -1.247 -18.286 7.651) 19.861 18.750 ( -28.690 -22.583 -7.088) 37.193 ======================= Grid point 1071 (422/891) ======================= q-point: ( 0.71 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.692 ( 0.644 2.154 -0.920) 2.429 10.982 ( 10.597 15.029 -10.730) 21.291 11.483 ( 9.450 5.811 12.265) 16.538 11.941 ( -6.601 7.784 -3.848) 10.908 12.711 ( -1.210 -3.578 -5.882) 6.991 12.840 ( 4.005 -0.131 -0.222) 4.013 15.082 ( -11.495 13.027 -0.521) 17.381 15.412 ( -13.484 37.959 3.968) 40.478 16.890 ( 32.986 -23.647 3.169) 40.710 17.495 ( -8.982 0.509 -6.444) 11.066 18.186 ( 1.184 -14.436 2.208) 14.652 18.293 ( -8.525 -8.752 2.930) 12.564 ======================= Grid point 1072 (423/891) ======================= q-point: (-0.24 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.651 ( -7.374 1.066 0.401) 7.461 11.162 ( 2.146 11.542 -16.420) 20.185 11.724 ( -0.429 6.221 -1.244) 6.359 11.943 ( 8.823 -0.962 16.906) 19.094 12.514 ( -12.357 -3.170 -4.555) 13.546 13.036 ( 15.940 0.152 -0.840) 15.963 14.589 ( -49.643 12.418 -0.661) 51.177 15.666 ( -10.302 35.284 -1.671) 36.795 16.653 ( -7.052 -40.745 2.804) 41.445 17.763 ( 13.166 13.674 -3.334) 19.273 18.083 ( -6.133 -6.800 0.923) 9.203 18.357 ( 33.783 -12.090 4.033) 36.107 ======================= Grid point 1073 (424/891) ======================= q-point: (-0.19 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.465 ( -16.768 2.176 3.034) 17.179 11.191 ( -6.630 11.937 -17.910) 22.522 11.604 ( -6.012 -9.301 -7.328) 13.280 12.100 ( 0.592 -14.103 6.816) 15.675 12.434 ( 5.371 13.852 10.321) 18.090 13.307 ( 13.959 -3.339 -2.961) 14.655 13.790 ( -52.496 11.087 5.287) 53.914 15.631 ( -12.678 -3.484 -4.412) 13.869 16.198 ( -22.156 2.257 3.302) 22.514 17.890 ( -8.001 -0.691 -1.575) 8.184 17.985 ( 4.569 0.520 3.675) 5.886 19.056 ( 52.044 -6.917 -2.225) 52.549 ======================= Grid point 1074 (425/891) ======================= q-point: (-0.14 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.160 ( -24.754 5.433 6.319) 26.120 10.945 ( -26.417 1.599 -9.190) 28.016 11.360 ( -4.117 -13.055 -18.689) 23.166 11.957 ( -5.995 -4.825 1.350) 7.813 12.762 ( 0.145 4.966 14.434) 15.265 12.867 ( -23.050 -6.882 -4.416) 24.458 13.723 ( 7.475 15.676 9.190) 19.649 15.184 ( -14.091 -32.244 -1.940) 35.242 15.962 ( -28.040 30.221 2.079) 41.278 17.716 ( -9.015 -1.048 -3.248) 9.639 18.078 ( 1.594 2.064 7.105) 7.568 19.862 ( 50.676 -5.841 -7.649) 51.581 ======================= Grid point 1075 (426/891) ======================= q-point: (-0.10 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.799 ( -29.636 11.030 9.874) 33.128 10.356 ( -31.765 -11.001 -5.450) 34.055 10.914 ( -31.941 -10.094 -15.713) 37.000 11.768 ( -9.748 -4.886 -0.142) 10.905 12.365 ( -12.489 1.013 -0.151) 12.531 13.079 ( 13.631 -0.960 -5.141) 14.599 14.042 ( 3.658 14.414 14.249) 20.595 14.620 ( -12.515 -27.206 0.172) 29.947 15.810 ( -24.287 27.057 4.704) 36.662 17.558 ( -6.910 -0.091 -4.976) 8.515 18.118 ( -2.880 2.267 10.357) 10.987 20.587 ( 45.350 -6.349 -12.979) 47.596 ======================= Grid point 1086 (427/891) ======================= q-point: ( 0.43 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.967 ( -0.000 33.259 13.262) 35.805 7.646 ( -0.000 37.245 4.157) 37.476 9.152 ( -0.000 19.543 -1.790) 19.624 11.259 ( 0.000 19.763 -20.506) 28.480 11.708 ( 0.000 2.009 -7.245) 7.519 12.291 ( 0.000 -4.146 -1.184) 4.312 13.413 ( -0.000 26.326 4.585) 26.722 15.332 ( -0.000 -29.159 10.075) 30.851 15.378 ( -0.000 11.674 0.492) 11.685 16.704 ( -0.000 36.185 1.007) 36.199 18.743 ( -0.000 -7.845 10.297) 12.945 22.519 ( 0.000 -21.329 -18.659) 28.339 ======================= Grid point 1087 (428/891) ======================= q-point: ( 0.48 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.346 ( 2.927 30.135 11.252) 32.300 8.105 ( 12.863 29.490 2.358) 32.260 9.482 ( 15.526 23.374 -1.326) 28.092 11.345 ( -0.285 10.093 -15.009) 18.089 11.715 ( -0.354 6.233 -9.400) 11.285 12.372 ( 14.864 -5.164 -1.866) 15.845 13.617 ( -1.207 15.787 1.259) 15.883 14.934 ( -11.893 -25.826 11.312) 30.600 15.613 ( 10.667 7.078 3.499) 13.272 17.107 ( 0.463 40.880 2.601) 40.965 18.718 ( -0.848 -2.767 7.887) 8.401 22.135 ( -11.891 -23.405 -18.235) 31.965 ======================= Grid point 1088 (429/891) ======================= q-point: ( 0.52 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.724 ( 5.258 25.213 9.260) 27.369 8.640 ( 20.067 20.605 -0.148) 28.762 10.130 ( 29.864 28.985 -0.955) 41.628 11.362 ( 0.823 2.089 -9.184) 9.454 11.753 ( -0.663 9.686 -10.080) 13.995 12.641 ( 22.534 -5.882 -4.105) 23.648 13.712 ( -0.333 7.251 1.603) 7.434 14.549 ( -8.035 -24.572 12.389) 28.668 15.894 ( 10.640 10.433 3.913) 15.407 17.504 ( -2.643 40.554 3.041) 40.754 18.697 ( -2.494 -1.397 6.447) 7.052 21.542 ( -22.294 -25.474 -17.441) 38.081 ======================= Grid point 1089 (430/891) ======================= q-point: ( 0.57 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.071 ( 6.659 18.870 6.555) 21.057 9.186 ( 24.196 14.612 -1.174) 28.290 10.976 ( 28.355 30.821 -0.100) 41.880 11.406 ( 11.205 0.966 -7.268) 13.391 11.814 ( 0.094 10.300 -8.398) 13.290 12.914 ( 15.868 -6.216 -6.406) 18.206 13.815 ( 6.937 2.336 6.483) 9.778 14.295 ( 2.855 -23.835 11.002) 26.406 16.200 ( 8.849 15.485 3.181) 18.117 17.816 ( -7.061 37.131 2.454) 37.876 18.637 ( -4.584 -3.146 5.600) 7.891 20.773 ( -30.337 -27.736 -16.080) 44.138 ======================= Grid point 1090 (431/891) ======================= q-point: ( 0.62 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.354 ( 6.705 11.809 3.490) 14.021 9.742 ( 26.302 11.529 -0.292) 28.719 11.287 ( 0.012 5.676 1.804) 5.956 11.899 ( 1.372 16.299 -10.890) 19.651 12.053 ( 35.538 19.874 -4.971) 41.020 12.973 ( 1.381 -4.909 -5.953) 7.838 14.009 ( 10.397 -3.895 17.714) 20.906 14.349 ( 28.399 -20.152 2.188) 34.891 16.514 ( 5.068 22.384 2.122) 23.048 17.992 ( -12.400 30.183 0.996) 32.646 18.512 ( -6.572 -6.728 5.059) 10.680 19.881 ( -34.554 -29.674 -13.851) 47.606 ======================= Grid point 1091 (432/891) ======================= q-point: ( 0.67 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.553 ( 5.677 5.745 1.143) 8.157 10.295 ( 25.981 9.618 0.799) 27.716 11.341 ( 1.029 3.181 4.184) 5.355 12.044 ( 1.963 15.402 -8.427) 17.666 12.572 ( 6.627 2.892 -2.852) 7.773 12.944 ( 0.046 6.920 -8.161) 10.700 14.376 ( 32.285 0.380 19.758) 37.853 14.754 ( 36.234 -16.726 -1.895) 39.953 16.816 ( -1.840 31.155 1.605) 31.250 17.940 ( -19.932 9.906 -1.825) 22.333 18.326 ( -8.249 -6.942 3.873) 11.455 18.991 ( -29.745 -25.861 -9.271) 40.491 ======================= Grid point 1092 (433/891) ======================= q-point: ( 0.71 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.673 ( 3.758 2.138 0.097) 4.325 10.788 ( 21.026 6.741 -1.358) 22.122 11.434 ( 5.014 2.518 8.390) 10.092 12.161 ( -6.029 15.059 -7.556) 17.894 12.558 ( 5.064 -7.983 0.855) 9.493 12.932 ( -7.662 4.647 -4.963) 10.244 15.077 ( 18.794 8.171 2.559) 20.652 15.256 ( 51.572 -9.433 6.405) 52.817 16.955 ( -30.292 28.127 1.082) 41.351 17.512 ( -6.684 -18.393 -5.858) 20.427 18.145 ( -8.852 -3.118 2.586) 9.735 18.427 ( -15.021 -9.064 -2.350) 17.700 ======================= Grid point 1093 (434/891) ======================= q-point: (-0.24 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.723 ( 0.122 1.084 0.354) 1.147 11.075 ( 9.377 1.910 -7.669) 12.263 11.649 ( 13.363 0.826 12.735) 18.478 12.045 ( -13.863 3.142 -1.862) 14.336 12.676 ( 4.627 3.978 -4.528) 7.599 12.809 ( -1.539 -0.335 0.713) 1.729 15.198 ( -6.821 -1.720 -1.210) 7.138 16.090 ( 32.040 -23.019 5.836) 39.881 16.275 ( -33.456 16.381 -3.883) 37.453 17.654 ( 14.572 14.576 -2.560) 20.769 17.990 ( -2.731 -8.863 3.847) 10.040 18.167 ( -9.448 -3.709 -1.768) 10.303 ======================= Grid point 1094 (435/891) ======================= q-point: (-0.19 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.693 ( -6.190 2.014 1.889) 6.778 11.151 ( 4.868 -1.225 -11.684) 12.717 11.763 ( -17.111 -6.741 -1.692) 18.469 11.892 ( 11.204 -6.621 9.491) 16.108 12.647 ( -7.878 14.363 3.141) 16.680 13.010 ( 16.545 -1.216 -2.410) 16.763 14.714 ( -45.893 -2.164 5.605) 46.285 15.508 ( -4.659 -41.924 -6.270) 42.645 16.718 ( -6.524 38.946 3.732) 39.664 17.914 ( 2.506 -8.152 1.573) 8.672 17.997 ( -4.009 3.239 -2.350) 5.664 18.200 ( 36.755 1.040 -1.769) 36.813 ======================= Grid point 1095 (436/891) ======================= q-point: (-0.14 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.563 ( -13.964 4.533 4.400) 15.327 11.166 ( 4.785 -4.167 -14.969) 16.258 11.302 ( -22.851 -14.782 -2.545) 27.334 11.959 ( 1.441 -3.973 2.813) 5.077 12.759 ( 1.736 11.172 5.811) 12.712 13.109 ( -5.764 -13.105 -3.751) 14.800 14.027 ( -24.966 5.636 13.306) 28.846 15.032 ( -7.417 -34.428 -5.340) 35.621 16.759 ( -27.827 32.381 4.612) 42.943 17.814 ( -4.780 -3.260 -4.389) 7.262 18.075 ( 4.794 4.249 5.752) 8.609 18.940 ( 48.379 -0.943 -7.849) 49.021 ======================= Grid point 1096 (437/891) ======================= q-point: (-0.10 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.352 ( -19.980 8.652 7.139) 22.913 10.688 ( -26.936 -19.430 -2.439) 33.302 11.095 ( -6.307 -4.729 -17.360) 19.066 11.885 ( -7.467 -4.076 1.610) 8.658 12.574 ( -19.931 -15.629 -3.347) 25.548 12.917 ( 3.947 2.061 2.326) 5.023 14.136 ( 7.683 15.513 14.815) 22.786 14.543 ( -10.959 -27.397 -3.721) 29.742 16.544 ( -29.162 21.919 7.266) 37.198 17.679 ( -8.238 1.487 -4.670) 9.585 18.205 ( 0.908 6.388 6.955) 9.487 19.707 ( 47.021 -2.960 -12.418) 48.723 ======================= Grid point 1108 (438/891) ======================= q-point: ( 0.48 0.48 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.643 ( -0.000 27.335 9.689) 29.001 8.271 ( -0.000 23.882 2.111) 23.975 9.562 ( -0.000 22.923 -0.610) 22.931 11.374 ( 0.000 3.159 -9.553) 10.062 11.774 ( 0.000 12.285 -13.248) 18.068 12.179 ( 0.000 -6.719 -0.394) 6.730 13.739 ( 0.000 7.506 -2.143) 7.806 14.801 ( -0.000 -32.865 19.101) 38.013 15.587 ( -0.000 9.353 -0.220) 9.356 17.563 ( -0.000 47.051 4.270) 47.244 18.745 ( -0.000 1.532 4.949) 5.181 21.935 ( 0.000 -25.531 -18.047) 31.265 ======================= Grid point 1109 (439/891) ======================= q-point: ( 0.52 0.48 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.935 ( 1.628 22.549 8.733) 24.236 8.566 ( 10.283 16.817 0.638) 19.722 9.953 ( 18.974 24.080 -0.295) 30.658 11.354 ( -0.774 0.048 -4.993) 5.053 11.848 ( -1.256 13.608 -12.927) 18.811 12.238 ( 14.636 -7.140 -1.490) 16.353 13.766 ( -0.696 2.092 -2.708) 3.492 14.484 ( -7.288 -28.700 19.457) 35.432 15.773 ( 10.981 6.874 0.940) 12.989 18.016 ( -3.451 46.818 4.689) 47.178 18.764 ( -2.195 2.555 3.223) 4.662 21.515 ( -11.732 -27.168 -17.587) 34.424 ======================= Grid point 1110 (440/891) ======================= q-point: ( 0.57 0.48 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.190 ( 2.703 16.198 7.057) 17.874 8.949 ( 18.221 11.449 0.344) 21.522 10.653 ( 34.843 23.388 -0.572) 41.968 11.331 ( -0.138 -0.257 -1.851) 1.874 11.917 ( -1.535 13.819 -10.768) 17.586 12.484 ( 21.880 -7.322 -3.073) 23.277 13.766 ( 1.438 -0.348 -0.973) 1.771 14.163 ( -6.633 -24.370 18.018) 31.024 16.073 ( 15.864 6.072 1.686) 17.070 18.377 ( -8.392 43.286 4.326) 44.304 18.731 ( -5.209 1.265 2.187) 5.790 20.892 ( -22.404 -28.362 -16.685) 39.809 ======================= Grid point 1111 (441/891) ======================= q-point: ( 0.62 0.48 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.387 ( 3.453 9.049 4.519) 10.688 9.410 ( 23.945 8.190 1.962) 25.383 11.327 ( 0.267 2.303 2.876) 3.694 11.542 ( 42.424 16.358 -2.761) 45.553 12.014 ( 0.659 17.800 -11.395) 21.145 12.748 ( 16.441 -6.835 -3.401) 18.127 13.854 ( 12.055 -2.762 -0.158) 12.369 13.915 ( -2.232 -21.157 18.712) 28.333 16.433 ( 18.017 6.949 1.526) 19.371 18.567 ( -13.069 19.119 3.537) 23.427 18.653 ( -9.784 17.550 1.539) 20.152 20.098 ( -31.035 -29.009 -15.224) 45.127 ======================= Grid point 1112 (442/891) ======================= q-point: ( 0.67 0.48 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.519 ( 4.157 2.827 2.183) 5.481 9.924 ( 26.788 5.637 4.172) 27.691 11.363 ( 0.777 1.813 4.323) 4.751 12.063 ( 8.040 6.125 -2.066) 10.316 12.461 ( 21.047 23.839 -12.928) 34.328 12.880 ( 10.357 -0.829 -4.499) 11.322 13.797 ( 14.589 -27.524 15.484) 34.787 14.194 ( 25.246 1.556 5.051) 25.793 16.821 ( 18.476 7.441 1.032) 19.944 18.365 ( -16.717 -3.595 1.978) 17.213 18.701 ( -18.939 31.904 1.343) 37.126 19.200 ( -33.823 -28.545 -12.691) 46.042 ======================= Grid point 1113 (443/891) ======================= q-point: (-0.29 -0.52 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.607 ( 4.884 -1.145 0.523) 5.044 10.435 ( 25.708 2.685 5.450) 26.416 11.419 ( 1.912 1.330 6.611) 7.009 12.246 ( 8.204 7.292 -4.350) 11.807 12.556 ( -10.257 1.108 -1.142) 10.380 13.083 ( -1.631 10.847 -7.929) 13.535 14.136 ( 50.956 -28.071 4.013) 58.314 14.749 ( 31.612 8.546 8.142) 33.744 17.178 ( 16.690 -2.530 -0.038) 16.880 17.868 ( -37.742 -3.608 -1.966) 37.965 18.437 ( -23.230 -8.569 -4.858) 25.232 18.644 ( -18.430 16.357 -0.206) 24.642 ======================= Grid point 1114 (444/891) ======================= q-point: (-0.24 -0.52 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.672 ( 5.040 -2.671 -0.441) 5.721 10.844 ( 17.762 -0.551 3.998) 18.215 11.506 ( 5.893 -2.117 9.502) 11.379 12.320 ( -14.465 -3.790 0.039) 14.953 12.465 ( 11.549 6.479 -5.259) 14.248 13.029 ( -10.460 8.489 -0.648) 13.487 14.673 ( 40.773 -29.571 -7.214) 50.881 15.473 ( 34.367 7.621 9.248) 36.396 16.810 ( -28.324 -27.779 -5.801) 40.095 17.691 ( 1.662 24.196 2.148) 24.348 18.086 ( -10.958 -6.890 0.104) 12.944 18.445 ( -22.980 15.584 -1.556) 27.810 ======================= Grid point 1115 (445/891) ======================= q-point: (-0.19 -0.52 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.719 ( 3.312 -2.183 -0.500) 3.998 11.028 ( 5.396 -2.342 0.356) 5.893 11.615 ( 8.618 -13.758 11.041) 19.633 12.024 ( -14.098 -2.157 -2.411) 14.464 12.728 ( 14.548 4.320 -4.191) 15.744 12.951 ( -9.963 11.141 3.285) 15.303 14.863 ( 20.643 -32.120 -8.997) 39.227 15.392 ( -34.269 -26.892 4.867) 43.831 16.785 ( 34.222 15.161 -2.751) 37.531 17.836 ( -7.963 -5.267 7.610) 12.209 18.020 ( 5.307 13.048 -3.539) 14.524 18.206 ( -19.009 17.284 -1.777) 25.754 ======================= Grid point 1116 (446/891) ======================= q-point: (-0.14 0.48 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.727 ( -1.368 -0.241 0.655) 1.535 11.035 ( 0.812 -4.026 -2.768) 4.953 11.420 ( -10.975 -23.762 2.905) 26.335 11.921 ( 0.151 2.219 0.441) 2.268 12.922 ( -6.559 6.420 4.223) 10.103 12.957 ( 9.176 -2.751 -2.780) 9.975 14.505 ( -26.532 -25.392 3.115) 36.856 14.756 ( -3.319 -21.009 -3.927) 21.629 17.495 ( -3.694 31.213 3.389) 31.613 17.602 ( 10.739 -19.564 -2.146) 22.420 18.075 ( 1.350 8.612 -0.922) 8.766 18.388 ( 12.856 16.105 -1.130) 20.637 ======================= Grid point 1117 (447/891) ======================= q-point: (-0.10 0.48 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.667 ( -7.707 2.625 2.729) 8.587 10.889 ( -18.227 -16.925 2.774) 25.028 11.019 ( -1.423 -10.589 -10.585) 15.039 11.934 ( -1.502 -1.244 0.808) 2.111 12.690 ( -16.137 -21.504 -1.177) 26.911 12.942 ( -2.984 -1.440 0.376) 3.335 14.211 ( 1.348 6.096 10.488) 12.206 14.441 ( -7.301 -19.943 -5.672) 21.982 17.163 ( -23.929 -2.699 5.862) 24.784 17.821 ( -1.791 10.635 -3.066) 11.212 18.302 ( 1.814 18.574 4.290) 19.149 18.906 ( 38.435 2.374 -8.251) 39.382 ======================= Grid point 1130 (448/891) ======================= q-point: ( 0.52 0.52 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.153 ( -0.000 17.815 8.985) 19.953 8.621 ( -0.000 11.855 -0.120) 11.855 10.006 ( -0.000 20.960 -0.305) 20.962 11.348 ( 0.000 -0.393 -1.536) 1.586 11.961 ( 0.000 15.307 -13.965) 20.720 12.030 ( 0.000 -7.974 0.530) 7.991 13.768 ( 0.000 -0.348 -3.361) 3.379 14.333 ( -0.000 -28.802 22.090) 36.297 15.738 ( 0.000 6.153 -0.594) 6.182 18.521 ( -0.000 45.115 5.027) 45.394 18.824 ( -0.000 3.436 1.321) 3.681 21.288 ( 0.000 -27.408 -17.436) 32.484 ======================= Grid point 1131 (449/891) ======================= q-point: ( 0.57 0.52 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.330 ( 0.218 11.315 8.322) 14.047 8.801 ( 10.136 7.621 0.034) 12.681 10.363 ( 20.223 16.279 -0.956) 25.978 11.340 ( -0.644 0.552 1.428) 1.660 12.044 ( 1.148 11.275 -6.666) 13.149 12.095 ( 11.559 -2.677 -4.760) 12.785 13.749 ( -0.377 -0.469 -1.942) 2.033 14.093 ( -4.753 -24.732 20.046) 32.189 15.883 ( 10.770 3.804 -0.015) 11.422 18.825 ( -3.459 2.803 0.346) 4.465 18.916 ( -4.240 37.374 4.301) 37.859 20.867 ( -12.218 -24.712 -16.649) 32.205 ======================= Grid point 1132 (450/891) ======================= q-point: ( 0.62 0.52 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.433 ( 0.669 3.677 5.493) 6.644 9.116 ( 18.852 4.854 2.809) 19.669 10.972 ( 36.176 8.474 -2.539) 37.242 11.358 ( 0.167 2.560 4.895) 5.526 12.146 ( -1.006 15.594 -10.683) 18.929 12.343 ( 20.954 -3.960 0.794) 21.340 13.738 ( -0.049 -2.595 0.327) 2.616 13.854 ( -3.830 -17.420 16.591) 24.360 16.157 ( 17.681 1.693 0.591) 17.772 18.746 ( -7.267 -0.169 -0.452) 7.283 19.129 ( -7.751 22.273 2.502) 23.715 20.300 ( -24.844 -13.871 -14.342) 31.864 ======================= Grid point 1133 (451/891) ======================= q-point: (-0.33 -0.48 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.472 ( 2.349 -3.159 2.488) 4.657 9.541 ( 24.642 2.437 6.226) 25.533 11.377 ( 2.714 1.265 3.947) 4.954 11.721 ( 36.716 2.134 2.316) 36.850 12.290 ( 9.791 12.698 -14.139) 21.378 12.654 ( 13.094 2.274 1.531) 13.378 13.586 ( -4.352 -15.556 9.062) 18.522 13.901 ( 12.073 0.113 7.413) 14.168 16.499 ( 21.007 -0.948 0.645) 21.039 18.571 ( -11.654 -2.488 -0.904) 11.951 19.027 ( -10.931 -15.652 -4.244) 19.557 19.753 ( -35.094 20.844 -6.569) 41.342 ======================= Grid point 1134 (452/891) ======================= q-point: (-0.29 -0.48 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.480 ( 4.941 -7.911 -0.046) 9.328 10.023 ( 26.958 -0.003 9.379) 28.543 11.437 ( 0.775 1.651 7.130) 7.360 12.126 ( 9.894 0.502 2.615) 10.246 12.758 ( -1.885 -0.547 2.448) 3.138 12.794 ( 40.463 6.400 -21.261) 46.154 13.428 ( -0.664 -13.042 9.803) 16.329 14.302 ( 29.189 4.190 8.067) 30.572 16.805 ( 18.174 -9.796 0.004) 20.646 18.263 ( -19.956 -8.106 -2.990) 21.746 18.519 ( -13.661 -23.788 -7.002) 28.312 19.471 ( -34.751 37.761 0.390) 51.320 ======================= Grid point 1135 (453/891) ======================= q-point: (-0.24 -0.48 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.495 ( 7.838 -10.186 -2.121) 13.027 10.495 ( 24.696 -2.113 11.874) 27.484 11.474 ( -0.095 -1.433 8.660) 8.778 12.226 ( 4.832 -7.731 3.311) 9.699 12.641 ( -10.699 7.813 -5.315) 14.275 13.271 ( -5.260 12.072 -1.626) 13.268 13.547 ( 48.472 -29.208 -7.330) 57.065 14.972 ( 37.240 7.710 7.477) 38.758 16.733 ( -5.797 -33.298 -2.907) 33.924 17.892 ( -7.231 -1.310 -2.420) 7.737 18.182 ( -9.767 -5.441 -3.531) 11.725 19.239 ( -35.434 35.060 2.085) 49.891 ======================= Grid point 1136 (454/891) ======================= q-point: (-0.19 -0.48 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.537 ( 9.968 -10.147 -3.522) 14.654 10.867 ( 15.821 -2.616 12.821) 20.531 11.441 ( -0.618 -11.676 8.787) 14.626 12.126 ( -4.503 -11.304 1.704) 12.287 12.639 ( 1.459 11.991 -6.781) 13.853 13.212 ( -8.665 2.683 6.517) 11.169 13.998 ( 36.836 -25.885 -15.516) 47.620 15.526 ( 3.827 -9.279 5.493) 11.442 16.274 ( 12.597 -20.538 -3.918) 24.410 17.846 ( 0.226 -8.563 2.788) 9.008 18.084 ( -1.193 8.881 -6.020) 10.796 18.990 ( -34.431 35.602 4.343) 49.718 ======================= Grid point 1137 (455/891) ======================= q-point: (-0.14 -0.48 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.605 ( 9.814 -8.293 -3.847) 13.412 11.036 ( 0.504 -0.362 10.693) 10.711 11.259 ( -1.137 -26.995 5.940) 27.664 11.977 ( -3.908 -1.921 -0.802) 4.428 12.804 ( 7.123 5.139 -3.102) 9.315 13.063 ( -7.373 -10.528 5.378) 13.933 14.174 ( 15.924 -16.501 -15.635) 27.755 14.978 ( -27.804 -22.914 5.246) 36.410 16.807 ( 43.941 -6.931 -4.999) 44.765 17.766 ( -1.600 -5.673 4.924) 7.680 18.140 ( 0.245 6.916 -7.131) 9.937 18.861 ( -25.116 38.819 7.698) 46.873 ======================= Grid point 1152 (456/891) ======================= q-point: ( 0.57 0.57 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.445 ( -0.000 4.863 10.158) 11.262 8.763 ( 0.000 3.625 -1.449) 3.904 10.306 ( 0.000 8.375 -1.709) 8.548 11.369 ( -0.000 2.004 4.084) 4.549 11.910 ( -0.000 -3.835 1.980) 4.316 12.185 ( 0.000 16.015 -9.981) 18.871 13.752 ( 0.000 1.016 -0.226) 1.041 13.961 ( -0.000 -22.966 18.103) 29.243 15.817 ( 0.000 2.258 -0.733) 2.374 18.870 ( 0.000 0.833 -1.087) 1.370 19.260 ( -0.000 19.865 2.475) 20.019 20.735 ( 0.000 -10.801 -14.658) 18.208 ======================= Grid point 1153 (457/891) ======================= q-point: (-0.38 -0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.468 ( -1.782 -3.184 7.473) 8.316 8.887 ( 12.091 0.803 1.391) 12.198 10.511 ( 20.290 -1.050 -2.773) 20.505 11.410 ( -0.312 3.779 6.984) 7.947 12.016 ( 12.532 -0.196 1.485) 12.621 12.307 ( -0.730 16.814 -5.695) 17.768 13.734 ( -2.542 -9.727 6.283) 11.856 13.811 ( -1.308 -6.272 8.952) 11.009 15.918 ( 10.471 -0.173 -0.425) 10.481 18.830 ( -3.803 -1.367 -1.998) 4.508 19.275 ( -3.686 -11.271 -2.776) 12.179 20.600 ( -13.142 15.566 -9.107) 22.314 ======================= Grid point 1154 (458/891) ======================= q-point: (-0.33 -0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.394 ( -0.294 -10.714 2.984) 11.126 9.180 ( 20.780 -1.779 6.139) 21.741 10.928 ( 35.017 -10.118 -3.792) 36.647 11.492 ( 1.959 5.314 10.037) 11.524 12.215 ( 6.742 0.874 -1.993) 7.084 12.537 ( 10.653 18.126 0.634) 21.034 13.554 ( -4.327 -13.837 6.015) 15.696 13.840 ( 1.118 4.025 5.327) 6.770 16.144 ( 17.405 -3.264 -0.115) 17.709 18.702 ( -7.597 -3.326 -2.628) 8.700 18.922 ( -8.545 -32.747 -7.500) 34.665 20.519 ( -23.414 33.604 -3.445) 41.101 ======================= Grid point 1155 (459/891) ======================= q-point: (-0.29 -0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.287 ( 3.370 -16.266 -0.644) 16.623 9.583 ( 26.403 -4.295 10.249) 28.646 11.352 ( 21.348 -9.934 0.829) 23.561 11.729 ( 23.928 -1.346 8.200) 25.330 12.264 ( 2.615 -4.260 0.755) 5.055 12.902 ( 5.431 18.720 -5.358) 20.215 13.413 ( 0.033 -6.934 4.408) 8.217 13.995 ( 12.178 4.800 6.031) 14.413 16.397 ( 17.827 -9.766 -0.446) 20.331 18.352 ( -13.306 -33.313 -6.763) 36.504 18.514 ( -8.893 -5.854 -4.627) 11.609 20.408 ( -30.502 37.535 -0.336) 48.367 ======================= Grid point 1156 (460/891) ======================= q-point: (-0.24 -0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.200 ( 8.178 -19.186 -3.655) 21.175 10.043 ( 28.616 -6.536 13.859) 32.460 11.481 ( 3.532 -5.124 8.377) 10.435 12.131 ( 4.907 -3.852 8.601) 10.625 12.348 ( 36.035 -24.868 1.111) 43.797 12.972 ( -6.375 13.986 -18.319) 23.913 13.449 ( -0.771 6.219 5.381) 8.260 14.452 ( 32.037 5.992 5.454) 33.045 16.437 ( 3.952 -26.307 -2.111) 26.686 17.867 ( -5.686 -21.686 -3.575) 22.702 18.301 ( -9.034 -1.920 -5.394) 10.695 20.215 ( -35.056 36.741 1.906) 50.818 ======================= Grid point 1157 (461/891) ======================= q-point: (-0.19 -0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.174 ( 13.114 -19.337 -5.940) 24.108 10.493 ( 26.445 -9.085 16.323) 32.378 11.437 ( -4.125 -11.341 11.533) 16.693 12.051 ( -1.331 -10.697 3.971) 11.488 12.703 ( 16.612 -10.698 7.640) 21.184 12.969 ( 9.655 -9.363 -18.129) 22.573 13.550 ( 2.702 16.281 -4.617) 17.137 15.135 ( 35.947 5.060 3.377) 36.458 15.996 ( -11.560 -38.290 -2.931) 40.105 17.716 ( 3.678 -11.786 1.133) 12.399 18.170 ( -3.950 3.361 -7.427) 9.058 19.973 ( -36.056 36.553 4.873) 51.574 ======================= Grid point 1158 (462/891) ======================= q-point: (-0.14 -0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.229 ( 16.780 -17.055 -7.214) 24.990 10.823 ( 18.154 -17.006 14.559) 28.823 11.204 ( -9.406 -15.494 12.504) 22.020 11.962 ( -0.067 -7.168 0.275) 7.174 12.804 ( 3.963 -10.913 6.659) 13.384 12.887 ( 2.102 -11.931 -8.790) 14.968 13.838 ( 13.590 14.790 -13.577) 24.244 15.164 ( -22.045 -27.204 1.833) 35.063 15.987 ( 41.480 -8.695 -2.884) 42.479 17.681 ( 3.076 -9.144 3.641) 10.312 18.160 ( 0.476 3.808 -8.895) 9.688 19.778 ( -32.019 38.447 8.989) 50.835 ======================= Grid point 1174 (463/891) ======================= q-point: (-0.38 -0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.459 ( -0.000 -10.878 10.480) 15.105 8.754 ( 0.000 -3.352 -1.813) 3.811 10.270 ( 0.000 -9.919 -3.196) 10.421 11.484 ( -0.000 4.907 9.053) 10.297 11.938 ( -0.000 4.651 3.127) 5.604 12.469 ( -0.000 16.492 -0.077) 16.492 13.642 ( -0.000 -15.225 6.055) 16.385 13.852 ( -0.000 4.991 4.850) 6.960 15.814 ( 0.000 -2.023 -0.850) 2.195 18.829 ( 0.000 -3.791 -3.367) 5.071 19.068 ( 0.000 -31.538 -6.537) 32.208 20.931 ( 0.000 31.406 -4.910) 31.787 ======================= Grid point 1175 (464/891) ======================= q-point: (-0.33 -0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.300 ( -3.640 -18.284 5.602) 19.467 8.842 ( 15.060 -7.277 2.783) 16.956 10.300 ( 19.957 -16.689 -3.578) 26.260 11.569 ( 0.200 5.527 10.827) 12.158 12.094 ( 8.927 5.858 2.679) 11.008 12.635 ( 0.866 14.103 9.553) 17.056 13.503 ( -2.658 -8.709 -2.910) 9.559 13.920 ( -0.924 6.763 5.369) 8.685 15.868 ( 9.921 -4.534 -0.809) 10.938 18.641 ( -3.879 -38.330 -8.779) 39.514 18.746 ( -3.972 -6.983 -3.290) 8.682 21.153 ( -11.744 36.027 -2.732) 37.992 ======================= Grid point 1176 (465/891) ======================= q-point: (-0.29 -0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.059 ( -0.451 -24.157 0.347) 24.164 9.109 ( 24.114 -10.706 8.071) 27.591 10.573 ( 34.669 -21.978 -3.756) 41.220 11.674 ( 1.766 5.115 11.166) 12.408 12.261 ( 1.695 1.106 7.387) 7.659 12.902 ( 12.593 11.082 13.615) 21.605 13.373 ( -4.427 -0.075 -11.586) 12.403 13.995 ( 0.139 7.665 4.267) 8.774 16.022 ( 14.741 -8.941 -1.072) 17.274 18.127 ( -6.688 -39.296 -6.932) 40.460 18.580 ( -6.388 -6.336 -5.064) 10.325 21.215 ( -21.776 36.212 -1.209) 42.272 ======================= Grid point 1177 (466/891) ======================= q-point: (-0.24 -0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.837 ( 5.459 -27.570 -3.783) 28.359 9.490 ( 29.984 -13.339 12.388) 35.078 10.955 ( 37.062 -27.274 -1.895) 46.055 11.819 ( 7.747 2.829 8.391) 11.765 12.214 ( -6.463 -7.324 13.711) 16.835 13.206 ( -7.204 15.849 -9.802) 19.979 13.376 ( 15.876 0.215 5.587) 16.831 14.154 ( 10.567 8.699 1.036) 13.727 16.096 ( 7.902 -20.132 -2.312) 21.751 17.674 ( -2.569 -28.469 -2.945) 28.736 18.386 ( -7.017 -4.893 -6.717) 10.877 21.125 ( -29.394 34.962 0.627) 45.681 ======================= Grid point 1178 (467/891) ======================= q-point: (-0.19 -0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.696 ( 12.576 -27.928 -6.965) 31.411 9.925 ( 31.674 -16.060 15.171) 38.617 11.182 ( 20.675 -31.033 5.539) 37.698 12.018 ( 0.561 -9.002 5.064) 10.344 12.093 ( 12.874 -6.638 6.503) 15.878 13.121 ( -10.464 10.400 -7.931) 16.750 13.639 ( 5.151 9.755 1.216) 11.098 14.590 ( 30.860 5.717 -0.195) 31.386 15.810 ( -8.523 -33.278 -2.821) 34.468 17.509 ( 6.135 -13.750 1.735) 15.156 18.224 ( -4.570 -1.723 -8.867) 10.124 20.930 ( -33.341 34.140 3.583) 47.853 ======================= Grid point 1179 (468/891) ======================= q-point: (-0.14 -0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.679 ( 19.440 -25.284 -9.055) 33.154 10.300 ( 26.088 -21.793 13.966) 36.750 11.096 ( 4.877 -32.884 13.096) 35.730 11.884 ( -1.706 -10.190 1.865) 10.499 12.312 ( 16.900 -14.984 -3.188) 22.810 13.058 ( -6.881 10.925 2.243) 13.104 13.815 ( 4.761 14.687 -9.017) 17.880 15.219 ( 38.626 -4.351 -1.659) 38.905 15.229 ( -18.083 -29.998 -0.836) 35.037 17.531 ( 5.919 -8.065 4.376) 10.919 18.141 ( -0.446 -0.317 -10.996) 11.009 20.720 ( -32.462 34.849 8.050) 48.302 ======================= Grid point 1196 (469/891) ======================= q-point: (-0.33 -0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.154 ( -0.000 -26.526 8.660) 27.904 8.599 ( 0.000 -11.933 -1.038) 11.978 9.933 ( 0.000 -20.248 -3.470) 20.543 11.656 ( -0.000 5.019 10.762) 11.875 12.093 ( -0.000 7.836 3.213) 8.469 12.774 ( -0.000 0.690 25.883) 25.892 13.476 ( 0.000 6.053 -15.828) 16.946 14.018 ( -0.000 7.902 4.634) 9.160 15.726 ( 0.000 -6.256 -1.125) 6.357 18.244 ( 0.000 -42.265 -7.728) 42.966 18.693 ( 0.000 -7.910 -4.838) 9.272 21.598 ( -0.000 35.890 -2.479) 35.975 ======================= Grid point 1197 (470/891) ======================= q-point: (-0.29 -0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.835 ( -4.227 -31.843 3.626) 32.326 8.623 ( 17.972 -17.776 3.790) 25.560 9.877 ( 18.757 -22.217 -3.595) 29.298 11.739 ( 0.419 4.181 9.760) 10.626 12.241 ( 5.635 5.287 5.145) 9.283 12.820 ( 4.347 -13.388 29.515) 32.700 13.501 ( -4.923 15.876 -16.604) 23.494 14.111 ( -1.348 12.210 0.612) 12.299 15.728 ( 8.659 -8.823 -1.446) 12.446 17.788 ( -2.391 -40.235 -5.187) 40.638 18.566 ( -2.943 -8.490 -6.373) 11.016 21.840 ( -11.259 34.586 -2.066) 36.431 ======================= Grid point 1198 (471/891) ======================= q-point: (-0.24 -0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.467 ( 0.402 -35.174 -1.955) 35.230 8.852 ( 28.712 -21.903 9.448) 37.328 10.071 ( 31.232 -25.319 -3.529) 40.360 11.819 ( 1.496 3.270 7.160) 8.012 12.282 ( -4.373 -9.005 14.811) 17.877 13.009 ( 22.172 -5.517 13.199) 26.386 13.459 ( -8.336 5.474 -6.101) 11.691 14.227 ( -2.547 19.765 -4.712) 20.478 15.774 ( 8.371 -14.927 -2.427) 17.285 17.396 ( 0.259 -30.096 -0.606) 30.103 18.398 ( -4.484 -7.096 -8.219) 11.748 21.888 ( -21.006 32.801 -0.959) 38.963 ======================= Grid point 1199 (472/891) ======================= q-point: (-0.19 -0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.175 ( 8.668 -35.816 -6.330) 37.390 9.209 ( 34.724 -24.503 13.265) 44.520 10.349 ( 32.962 -31.587 -1.618) 45.682 11.912 ( 4.282 2.553 2.976) 5.806 12.084 ( -7.625 -16.148 12.882) 22.020 13.300 ( -6.378 -7.197 0.438) 9.626 13.466 ( 24.851 3.522 6.142) 25.839 14.386 ( 1.923 18.351 -6.704) 19.632 15.621 ( -3.581 -23.511 -2.726) 23.938 17.259 ( 8.153 -14.079 4.232) 16.811 18.235 ( -4.185 -4.122 -10.568) 12.091 21.783 ( -27.755 31.316 1.481) 41.872 ======================= Grid point 1200 (473/891) ======================= q-point: (-0.14 -0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.035 ( 18.219 -33.172 -9.475) 39.014 9.597 ( 33.958 -27.823 13.591) 45.957 10.485 ( 22.431 -39.727 3.628) 45.766 11.838 ( -5.208 -16.180 5.521) 17.871 12.038 ( 8.042 0.541 -2.345) 8.394 13.161 ( 1.368 -11.015 8.407) 13.924 13.866 ( 8.125 15.003 -3.379) 17.393 14.616 ( 17.873 -6.089 -3.560) 19.214 15.255 ( -11.111 -14.357 -1.984) 18.263 17.354 ( 9.536 -5.212 6.893) 12.869 18.108 ( -2.486 -2.156 -13.414) 13.812 21.601 ( -29.987 30.989 5.775) 43.507 ======================= Grid point 1218 (474/891) ======================= q-point: (-0.29 -0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.555 ( -0.000 -38.901 6.026) 39.365 8.247 ( 0.000 -24.536 1.174) 24.564 9.497 ( 0.000 -20.331 -3.499) 20.630 11.803 ( -0.000 3.170 8.141) 8.737 12.261 ( -0.000 6.726 3.179) 7.439 12.685 ( -0.000 -24.743 27.313) 36.854 13.615 ( 0.000 0.614 -4.453) 4.495 14.319 ( 0.000 30.140 -6.026) 30.737 15.556 ( 0.000 -9.935 -1.582) 10.060 17.409 ( 0.000 -37.199 -1.697) 37.238 18.480 ( 0.000 -8.728 -8.021) 11.854 22.259 ( -0.000 32.737 -2.624) 32.842 ======================= Grid point 1219 (475/891) ======================= q-point: (-0.24 -0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.120 ( -3.799 -42.199 1.629) 42.401 8.177 ( 21.378 -31.133 5.747) 38.201 9.433 ( 15.841 -19.700 -3.511) 25.522 11.854 ( 0.324 2.094 5.650) 6.035 12.296 ( -3.876 -9.108 10.962) 14.770 12.644 ( 15.463 -12.056 12.726) 23.375 13.473 ( -2.809 -21.298 0.969) 21.504 14.597 ( -7.508 39.055 -5.847) 40.197 15.511 ( 6.447 -11.207 -2.159) 13.108 17.090 ( 1.817 -28.419 3.458) 28.686 18.354 ( -2.095 -6.414 -10.014) 12.075 22.467 ( -10.912 30.717 -2.459) 32.690 ======================= Grid point 1220 (476/891) ======================= q-point: (-0.19 -0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.674 ( 2.414 -43.056 -3.843) 43.294 8.362 ( 34.315 -34.982 10.576) 50.131 9.575 ( 24.606 -22.303 -2.811) 33.329 11.891 ( 1.269 -0.970 2.006) 2.564 12.068 ( -6.764 -19.535 11.400) 23.608 13.007 ( 25.950 -3.492 2.418) 26.295 13.168 ( 1.268 -31.290 5.662) 31.824 14.737 ( -13.070 27.035 -3.677) 30.253 15.474 ( 0.161 -8.912 -2.085) 9.154 16.993 ( 9.305 -13.578 8.240) 18.408 18.226 ( -3.365 -2.165 -12.439) 13.066 22.486 ( -19.936 28.794 -0.940) 35.035 ======================= Grid point 1221 (477/891) ======================= q-point: (-0.14 -0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.368 ( 13.329 -40.826 -8.253) 43.733 8.685 ( 39.697 -37.982 12.093) 56.256 9.748 ( 23.412 -28.068 -0.173) 36.552 11.727 ( -3.607 -24.967 2.332) 25.333 11.977 ( 1.802 2.315 0.749) 3.028 12.837 ( 8.153 -38.969 4.270) 40.041 13.581 ( 31.284 3.577 4.916) 31.870 14.626 ( -14.498 -1.417 -2.310) 14.749 15.364 ( -8.560 6.681 -1.112) 10.916 17.152 ( 12.648 -2.616 10.469) 16.625 18.113 ( -4.445 1.652 -15.482) 16.192 22.374 ( -25.186 27.585 2.641) 37.447 ======================= Grid point 1240 (478/891) ======================= q-point: (-0.24 -0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.735 ( 0.000 -47.385 3.742) 47.533 7.646 ( -0.000 -38.111 4.244) 38.346 9.117 ( 0.000 -16.056 -3.359) 16.403 11.877 ( -0.000 -0.594 3.194) 3.249 12.289 ( -0.000 -28.602 15.381) 32.476 12.394 ( -0.000 4.633 3.358) 5.722 13.179 ( 0.000 -41.414 1.139) 41.429 15.109 ( -0.000 46.541 -1.727) 46.573 15.321 ( 0.000 -12.553 -2.038) 12.718 16.830 ( -0.000 -23.307 8.667) 24.866 18.289 ( 0.000 -2.358 -12.042) 12.271 22.842 ( 0.000 28.680 -3.425) 28.883 ======================= Grid point 1241 (479/891) ======================= q-point: (-0.19 -0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.224 ( -2.962 -49.056 0.055) 49.145 7.489 ( 24.623 -42.886 7.830) 50.068 9.065 ( 12.453 -15.876 -2.820) 20.373 11.816 ( -1.273 -17.178 -1.212) 17.268 12.030 ( -3.763 -13.824 9.467) 17.172 12.591 ( 13.215 -11.571 0.679) 17.578 12.754 ( 6.699 -39.092 5.980) 40.110 15.092 ( -10.081 -5.497 -1.519) 11.582 15.530 ( -0.810 25.018 0.983) 25.050 16.761 ( 7.704 -8.169 13.453) 17.523 18.234 ( -2.063 3.826 -14.372) 15.015 23.011 ( -10.405 26.640 -3.202) 28.779 ======================= Grid point 1242 (480/891) ======================= q-point: (-0.14 -0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.747 ( 5.483 -47.764 -5.115) 48.349 7.635 ( 38.188 -45.630 10.340) 60.393 9.162 ( 18.120 -18.706 -1.057) 26.065 11.482 ( -2.287 -35.884 -5.617) 36.393 11.971 ( 1.780 -5.565 4.671) 7.481 12.259 ( 5.878 -46.426 2.941) 46.889 13.091 ( 28.980 0.704 5.523) 29.510 14.785 ( -13.736 -15.667 -0.799) 20.851 15.639 ( -6.482 13.236 2.683) 14.980 16.999 ( 10.838 9.068 15.708) 21.129 18.192 ( -4.722 9.683 -17.282) 20.365 23.007 ( -18.299 24.860 -0.898) 30.882 ======================= Grid point 1262 (481/891) ======================= q-point: (-0.19 -0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.768 ( 0.000 -52.655 2.235) 52.702 6.836 ( -0.000 -47.693 7.194) 48.232 8.810 ( 0.000 -13.474 -2.654) 13.733 11.538 ( 0.000 -39.669 -10.553) 41.048 11.927 ( -0.000 -24.820 8.231) 26.149 12.247 ( -0.000 -37.025 7.536) 37.784 12.489 ( -0.000 2.705 3.474) 4.403 15.047 ( 0.000 -13.692 -2.158) 13.861 15.742 ( -0.000 2.624 3.997) 4.781 16.784 ( -0.000 19.397 19.300) 27.363 18.275 ( 0.000 11.531 -16.724) 20.314 23.338 ( 0.000 24.663 -4.642) 25.096 ======================= Grid point 1263 (482/891) ======================= q-point: (-0.14 -0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.216 ( -1.836 -52.981 -0.705) 53.017 6.625 ( 26.811 -50.510 9.396) 57.951 8.759 ( 9.778 -14.008 -1.644) 17.162 10.992 ( 1.342 -59.982 -17.174) 62.406 11.607 ( 3.185 -44.743 13.209) 46.761 12.082 ( -2.001 -2.972 2.704) 4.488 12.695 ( 18.834 0.729 4.374) 19.349 14.816 ( -9.706 -16.431 -1.260) 19.125 15.672 ( 2.808 -16.565 5.112) 17.562 17.172 ( 1.995 33.652 22.868) 40.736 18.339 ( -3.185 18.991 -19.936) 27.717 23.470 ( -9.615 22.719 -4.236) 25.031 ======================= Grid point 1284 (483/891) ======================= q-point: (-0.14 -0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.717 ( 0.000 -55.344 1.888) 55.377 5.892 ( -0.000 -53.930 9.774) 54.808 8.543 ( 0.000 -12.299 -1.723) 12.419 10.215 ( 0.000 -78.082 -18.954) 80.350 11.210 ( -0.000 -41.461 11.898) 43.134 12.097 ( -0.000 -0.733 3.175) 3.258 12.548 ( -0.000 1.063 3.076) 3.255 14.767 ( 0.000 -13.139 -1.612) 13.237 15.380 ( -0.000 -33.343 7.164) 34.103 17.612 ( -0.000 35.669 27.935) 45.306 18.534 ( 0.000 29.623 -22.785) 37.372 23.748 ( 0.000 20.835 -6.357) 21.784 ======================= Grid point 1395 (484/891) ======================= q-point: ( 0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 891 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -0.000 0.000 41.832) 41.832 1.323 ( -0.000 0.000 41.832) 41.832 2.606 ( -0.000 0.000 83.002) 83.002 7.686 ( 0.000 -0.000 -5.984) 5.984 7.686 ( 0.000 -0.000 -5.984) 5.984 12.481 ( 0.000 -0.000 -1.249) 1.249 12.481 ( 0.000 -0.000 -1.249) 1.249 14.115 ( -0.000 0.000 1.257) 1.257 14.115 ( -0.000 0.000 1.257) 1.257 17.739 ( 0.000 -0.000 -42.555) 42.555 19.929 ( -0.000 0.000 27.687) 27.687 24.846 ( 0.000 -0.000 -1.005) 1.005 ======================= Grid point 1396 (485/891) ======================= q-point: ( 0.19 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 54.441 31.432 27.668) 68.683 2.209 ( 42.963 24.805 32.468) 59.289 3.103 ( 25.357 14.640 68.438) 74.438 7.701 ( 3.166 1.828 -6.847) 7.762 8.019 ( 26.446 15.268 -14.631) 33.861 12.477 ( 0.366 0.212 -1.555) 1.611 12.577 ( 5.920 3.418 0.668) 6.868 13.668 ( -18.292 -10.561 22.177) 30.626 14.172 ( 3.435 1.983 1.932) 4.412 17.899 ( 12.712 7.339 -49.944) 52.056 20.426 ( 25.760 14.873 4.647) 30.106 24.613 ( -18.498 -10.680 -0.702) 21.371 ======================= Grid point 1397 (486/891) ======================= q-point: ( 0.24 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.163 ( 26.296 15.182 47.711) 56.553 3.351 ( 48.111 27.777 24.375) 60.666 4.463 ( 73.840 42.632 22.706) 88.235 7.777 ( 5.556 3.208 -7.731) 10.046 8.652 ( 33.216 19.177 -15.452) 41.350 12.488 ( 1.106 0.639 -2.031) 2.400 12.646 ( -1.369 -0.791 9.341) 9.474 13.745 ( 16.598 9.583 15.769) 24.819 14.279 ( 5.253 3.033 2.520) 6.568 17.872 ( 0.239 0.138 -42.176) 42.177 20.802 ( 5.165 2.982 3.041) 6.694 24.094 ( -24.638 -14.225 -7.757) 29.488 ======================= Grid point 1398 (487/891) ======================= q-point: ( 0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.933 ( 30.093 17.374 41.383) 54.037 4.523 ( 48.411 27.950 18.870) 58.999 6.263 ( 77.323 44.642 8.356) 89.675 7.893 ( 6.929 4.000 -8.514) 11.683 9.417 ( 38.352 22.143 -11.808) 45.833 12.512 ( 1.637 0.945 -2.469) 3.110 12.628 ( -2.730 -1.576 12.063) 12.468 14.336 ( 28.945 16.711 7.950) 34.355 14.424 ( 6.678 3.856 2.803) 8.205 17.679 ( -5.105 -2.948 -34.979) 35.472 20.706 ( -15.601 -9.007 17.148) 24.871 23.487 ( -24.081 -13.903 -20.127) 34.326 ======================= Grid point 1399 (488/891) ======================= q-point: ( 0.33 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.818 ( 36.928 21.320 30.686) 52.534 5.659 ( 46.627 26.920 14.800) 55.838 7.946 ( 68.498 39.547 1.164) 79.103 8.027 ( 7.376 4.259 -8.978) 12.376 10.310 ( 43.355 25.031 -7.502) 50.621 12.541 ( 1.529 0.883 -2.721) 3.244 12.607 ( -2.517 -1.453 10.043) 10.455 14.599 ( 7.946 4.588 2.712) 9.568 15.015 ( 27.857 16.083 1.670) 32.210 17.436 ( -6.309 -3.642 -26.996) 27.961 20.259 ( -29.754 -17.179 30.293) 45.805 22.887 ( -21.263 -12.276 -30.070) 38.821 ======================= Grid point 1400 (489/891) ======================= q-point: ( 0.38 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.793 ( 40.911 23.620 21.287) 51.814 6.726 ( 43.335 25.020 11.816) 51.416 8.163 ( 7.190 4.151 -9.000) 12.244 9.325 ( 52.995 30.597 -4.935) 61.392 11.323 ( 47.039 27.158 -4.261) 54.483 12.556 ( 0.515 0.298 -2.745) 2.809 12.577 ( -2.534 -1.463 5.815) 6.510 14.801 ( 9.126 5.269 2.335) 10.793 15.549 ( 18.710 10.802 -3.871) 21.949 17.254 ( -2.185 -1.261 -17.684) 17.863 19.620 ( -35.156 -20.297 36.620) 54.671 22.322 ( -19.332 -11.162 -32.728) 39.617 ======================= Grid point 1401 (490/891) ======================= q-point: ( 0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.793 ( 41.706 24.079 13.411) 49.991 7.692 ( 38.294 22.109 10.525) 45.453 8.293 ( 7.082 4.089 -9.202) 12.311 10.312 ( 36.548 21.101 -8.713) 43.093 12.314 ( 34.643 20.001 -12.386) 41.876 12.540 ( -1.285 -0.742 -2.619) 3.010 12.553 ( 4.186 2.417 7.045) 8.544 15.026 ( 9.941 5.739 1.849) 11.626 15.853 ( 10.935 6.313 -0.303) 12.630 17.222 ( 2.556 1.476 -13.488) 13.807 18.981 ( -30.247 -17.463 36.108) 50.236 21.784 ( -19.120 -11.039 -28.709) 36.216 ======================= Grid point 1402 (491/891) ======================= q-point: ( 0.48 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.753 ( 39.639 22.886 6.456) 46.225 8.364 ( 7.889 4.555 3.966) 9.936 8.581 ( 30.955 17.872 -2.698) 35.846 10.951 ( 23.118 13.347 -9.428) 28.310 12.363 ( -5.004 -2.889 -14.639) 15.738 12.478 ( -3.369 -1.945 -2.505) 4.627 13.149 ( 24.707 14.264 -0.732) 28.538 15.258 ( 9.878 5.703 1.422) 11.495 16.163 ( 15.067 8.699 13.071) 21.761 17.187 ( -1.971 -1.138 -13.902) 14.087 18.576 ( -13.644 -7.877 27.734) 31.897 21.257 ( -20.221 -11.674 -20.890) 31.330 ======================= Grid point 1403 (492/891) ======================= q-point: ( 0.52 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.480 ( 4.052 2.339 -0.529) 4.708 8.611 ( 34.602 19.977 -0.439) 39.957 9.265 ( 26.840 15.496 2.931) 31.130 11.312 ( 11.397 6.580 -7.965) 15.383 12.167 ( -6.501 -3.754 -16.103) 17.767 12.373 ( -4.990 -2.881 -2.599) 6.322 13.536 ( 11.797 6.811 -2.808) 13.908 15.473 ( 8.536 4.928 1.149) 9.923 16.346 ( -10.127 -5.847 5.994) 13.141 17.323 ( 23.740 13.706 3.751) 27.668 18.523 ( 0.918 0.530 14.157) 14.197 20.721 ( -22.327 -12.890 -12.111) 28.484 ======================= Grid point 1404 (493/891) ======================= q-point: ( 0.57 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.558 ( 2.815 1.625 0.840) 3.358 9.280 ( 24.377 14.074 -8.719) 29.467 9.789 ( 17.980 10.381 3.368) 21.033 11.424 ( 1.537 0.888 -3.017) 3.501 12.032 ( -0.315 -0.182 -12.656) 12.661 12.246 ( -5.038 -2.909 -3.024) 6.557 13.740 ( 8.308 4.797 -3.975) 10.384 15.643 ( 5.874 3.391 1.051) 6.863 15.905 ( -23.490 -13.562 -8.200) 28.336 18.066 ( 29.534 17.051 19.865) 39.466 18.678 ( 12.027 6.944 4.413) 14.572 20.158 ( -24.894 -14.373 -4.483) 29.093 ======================= Grid point 1405 (494/891) ======================= q-point: ( 0.62 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.611 ( 1.271 0.734 2.135) 2.591 9.573 ( 3.760 2.171 -17.652) 18.178 10.078 ( 5.969 3.446 3.595) 7.773 11.518 ( 9.614 5.550 7.699) 13.509 12.031 ( 2.284 1.319 -10.122) 10.460 12.148 ( -2.101 -1.213 -3.554) 4.303 13.913 ( 8.268 4.773 -4.494) 10.551 15.321 ( -23.334 -13.472 -17.811) 32.299 15.739 ( 2.220 1.282 1.109) 2.793 18.451 ( 1.330 0.768 15.215) 15.293 19.242 ( 22.794 13.160 4.510) 26.704 19.617 ( -12.908 -7.453 6.100) 16.105 ======================= Grid point 1406 (495/891) ======================= q-point: (-0.33 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.623 ( -1.124 -0.649 2.404) 2.732 9.340 ( -17.131 -9.891 -19.635) 27.872 10.069 ( -7.682 -4.435 3.309) 9.468 11.930 ( 17.175 9.916 15.278) 25.034 12.056 ( 7.321 4.227 -8.738) 12.158 12.144 ( 2.841 1.640 -3.554) 4.837 14.064 ( 4.796 2.769 -1.931) 5.865 14.763 ( -17.859 -10.311 -29.006) 35.589 15.748 ( -1.869 -1.079 1.289) 2.513 18.376 ( -12.584 -7.265 12.563) 19.209 18.905 ( -22.543 -13.015 -1.600) 26.079 20.271 ( 37.072 21.404 17.535) 46.259 ======================= Grid point 1407 (496/891) ======================= q-point: (-0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.558 ( -5.738 -3.313 0.785) 6.672 8.733 ( -29.919 -17.274 -17.629) 38.786 9.783 ( -17.385 -10.037 3.114) 20.314 11.983 ( -1.619 -0.935 -2.051) 2.775 12.236 ( 5.674 3.276 -3.098) 7.248 12.616 ( 24.215 13.980 16.719) 32.578 14.041 ( -4.895 -2.826 -2.262) 6.088 14.394 ( -4.877 -2.816 -36.417) 36.850 15.665 ( -5.768 -3.330 1.535) 6.835 17.947 ( -25.130 -14.509 7.142) 29.884 18.515 ( -13.467 -7.775 2.212) 15.707 21.150 ( 34.645 20.002 17.992) 43.864 ======================= Grid point 1408 (497/891) ======================= q-point: (-0.24 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.896 ( -38.523 -22.241 -15.316) 47.045 8.322 ( -16.022 -9.250 -3.520) 18.833 9.369 ( -18.511 -10.687 4.536) 21.850 11.928 ( -3.160 -1.825 1.181) 3.836 12.358 ( 5.585 3.225 -2.830) 7.043 12.860 ( -10.610 -6.125 10.717) 16.277 14.027 ( -15.727 -9.080 -1.041) 18.190 14.302 ( 27.922 16.121 -29.841) 43.932 15.502 ( -8.931 -5.157 1.770) 10.464 17.436 ( -19.002 -10.971 -2.718) 22.110 18.235 ( -12.556 -7.249 7.038) 16.117 21.952 ( 30.847 17.810 16.923) 39.435 ======================= Grid point 1409 (498/891) ======================= q-point: (-0.19 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.905 ( -44.326 -25.592 -12.600) 52.712 7.770 ( -30.658 -17.701 -7.883) 36.268 9.026 ( -13.263 -7.657 5.566) 16.295 11.823 ( -9.298 -5.368 9.087) 14.065 12.444 ( -21.859 -12.620 -3.091) 25.429 12.459 ( 4.099 2.366 -2.888) 5.545 13.337 ( -39.168 -22.614 -9.979) 46.315 15.145 ( 41.965 24.228 -6.650) 48.911 15.280 ( -10.987 -6.343 1.905) 12.829 17.069 ( -11.152 -6.439 -14.967) 19.745 18.044 ( -5.554 -3.207 12.088) 13.684 22.658 ( 26.722 15.428 14.569) 34.122 ======================= Grid point 1410 (499/891) ======================= q-point: (-0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.823 ( -47.521 -27.437 -8.565) 55.537 6.921 ( -40.721 -23.511 -9.615) 47.994 8.776 ( -10.887 -6.285 4.065) 13.212 11.377 ( -38.241 -22.078 19.590) 48.307 12.007 ( -19.790 -11.426 -7.720) 24.120 12.359 ( -33.210 -19.174 -12.860) 40.446 12.522 ( 2.353 1.358 -3.057) 4.090 15.026 ( -11.786 -6.805 1.860) 13.736 15.779 ( 4.184 2.416 -3.228) 5.811 16.998 ( 19.343 11.168 -23.273) 32.257 18.110 ( 7.516 4.339 16.058) 18.253 23.259 ( 22.453 12.963 11.041) 28.179 ======================= Grid point 1417 (500/891) ======================= q-point: ( 0.19 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -0.000 28.518 30.094) 41.460 2.570 ( -0.000 44.149 44.982) 63.028 3.484 ( -0.000 49.589 58.438) 76.642 7.687 ( 0.000 4.435 -6.561) 7.919 7.954 ( 0.000 27.696 -14.479) 31.252 12.480 ( 0.000 0.424 -1.636) 1.690 12.614 ( -0.000 14.930 -1.160) 14.975 13.634 ( -0.000 -36.869 22.324) 43.101 14.129 ( -0.000 2.054 1.270) 2.415 17.740 ( 0.000 15.434 -49.360) 51.716 20.457 ( -0.000 26.247 8.274) 27.521 24.662 ( 0.000 -14.429 -2.036) 14.572 ======================= Grid point 1418 (501/891) ======================= q-point: ( 0.24 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 54.331 29.345 19.586) 64.781 3.173 ( 13.517 18.307 55.400) 59.892 4.456 ( 20.864 80.109 31.206) 88.468 7.742 ( 2.454 7.299 -7.196) 10.540 8.371 ( 19.499 28.940 -16.305) 38.518 12.475 ( 0.026 0.213 -1.054) 1.076 12.776 ( -2.712 14.878 2.740) 15.369 13.482 ( 13.186 -18.347 19.901) 30.109 14.234 ( 6.688 4.839 1.870) 8.464 17.713 ( 2.026 3.846 -44.906) 45.116 20.754 ( 6.243 9.741 4.408) 12.381 24.330 ( -18.868 -14.581 -5.605) 24.495 ======================= Grid point 1419 (502/891) ======================= q-point: ( 0.29 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.795 ( 21.406 15.493 48.468) 55.203 3.975 ( 55.301 28.684 16.034) 64.328 5.872 ( 42.048 77.249 14.582) 89.151 7.862 ( 3.695 11.475 -7.369) 14.129 9.025 ( 30.104 27.763 -14.179) 43.337 12.479 ( 0.654 -0.674 0.676) 1.157 12.809 ( -7.608 9.932 7.885) 14.789 13.817 ( 29.551 -7.771 8.661) 31.760 14.467 ( 9.715 14.152 2.762) 17.386 17.578 ( -1.470 -2.826 -38.128) 38.261 20.811 ( -3.566 -8.915 11.964) 15.340 23.761 ( -27.400 -11.878 -14.011) 32.987 ======================= Grid point 1420 (503/891) ======================= q-point: ( 0.33 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.543 ( 30.164 18.024 37.751) 51.574 5.208 ( 48.563 32.594 12.351) 59.777 7.359 ( 47.645 52.620 1.249) 70.996 8.072 ( 6.186 25.006 -3.559) 26.004 9.834 ( 38.269 27.053 -10.404) 48.006 12.483 ( 0.837 -2.577 2.198) 3.489 12.805 ( -7.769 11.445 5.795) 14.997 14.237 ( 26.565 -10.850 3.292) 28.883 14.879 ( 15.900 21.981 1.652) 27.179 17.376 ( -3.247 -5.233 -30.237) 30.857 20.551 ( -16.110 -21.290 24.437) 36.194 23.115 ( -28.120 -8.798 -24.550) 38.351 ======================= Grid point 1421 (504/891) ======================= q-point: ( 0.38 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.414 ( 36.815 20.125 26.944) 49.863 6.347 ( 42.211 34.849 9.467) 55.551 8.058 ( 11.349 10.295 -11.530) 19.176 8.931 ( 37.291 52.784 2.183) 64.664 10.785 ( 45.118 27.502 -6.574) 53.247 12.468 ( 0.755 -4.829 2.496) 5.488 12.804 ( -8.603 13.617 2.085) 16.242 14.547 ( 20.558 -7.640 1.981) 22.021 15.362 ( 16.666 16.168 -3.244) 23.446 17.196 ( -1.402 -3.980 -20.782) 21.207 20.046 ( -26.194 -25.937 33.940) 50.108 22.489 ( -24.738 -7.633 -30.976) 40.370 ======================= Grid point 1422 (505/891) ======================= q-point: ( 0.43 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.346 ( 40.236 19.774 17.850) 48.255 7.386 ( 36.087 35.288 6.989) 50.954 8.260 ( 5.051 12.828 -9.906) 16.976 9.964 ( 31.884 35.629 -4.067) 47.985 11.812 ( 44.362 25.078 -7.616) 51.525 12.435 ( 1.236 -5.338 2.130) 5.879 12.788 ( -9.829 14.677 -0.210) 17.666 14.818 ( 17.265 -3.576 1.605) 17.704 15.701 ( 12.371 6.716 -4.130) 14.669 17.135 ( 3.089 -0.147 -13.828) 14.170 19.434 ( -29.756 -22.698 36.295) 52.134 21.917 ( -20.976 -9.197 -29.695) 37.501 ======================= Grid point 1423 (506/891) ======================= q-point: ( 0.48 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.262 ( 40.289 16.136 10.254) 44.595 8.307 ( 29.166 33.726 6.355) 45.039 8.437 ( 2.992 17.337 -9.397) 19.946 10.690 ( 23.032 21.942 -6.666) 32.502 12.280 ( 2.021 -4.891 -13.413) 14.419 12.605 ( 1.611 9.599 -6.676) 11.803 12.910 ( 16.517 20.402 6.006) 26.928 15.072 ( 14.932 -1.837 1.347) 15.105 15.982 ( 16.838 4.993 5.313) 18.349 17.146 ( 1.329 0.345 -13.608) 13.677 18.901 ( -23.451 -13.335 31.352) 41.361 21.388 ( -18.703 -12.321 -22.436) 31.702 ======================= Grid point 1424 (507/891) ======================= q-point: ( 0.52 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.048 ( 33.396 6.464 3.909) 34.239 8.655 ( 4.183 24.851 -5.587) 25.812 9.092 ( 22.772 31.418 2.848) 38.908 11.152 ( 14.447 12.310 -6.380) 20.024 12.148 ( -3.721 -5.858 -15.442) 16.930 12.536 ( -10.883 7.629 -4.850) 14.148 13.396 ( 14.109 11.851 0.024) 18.426 15.289 ( 12.959 -3.831 1.163) 13.563 16.377 ( 12.019 3.903 9.226) 15.646 17.137 ( 7.431 5.786 -7.107) 11.799 18.630 ( -9.028 -3.500 20.028) 22.246 20.879 ( -18.361 -15.786 -12.951) 27.460 ======================= Grid point 1425 (508/891) ======================= q-point: ( 0.57 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.463 ( 12.234 1.060 0.947) 12.316 9.084 ( 16.421 26.070 -8.391) 31.932 9.709 ( 14.706 26.686 3.048) 30.622 11.386 ( 5.137 5.341 -3.404) 8.155 11.992 ( -1.969 -2.283 -14.768) 15.073 12.400 ( -11.345 6.710 -3.481) 13.633 13.646 ( 7.300 6.320 -2.256) 9.916 15.411 ( 8.936 -12.654 -0.305) 15.494 16.276 ( -19.591 3.424 -6.498) 20.922 17.711 ( 36.789 16.455 14.565) 42.852 18.615 ( 2.072 0.524 9.032) 9.281 20.357 ( -19.793 -18.992 -4.379) 27.779 ======================= Grid point 1426 (509/891) ======================= q-point: ( 0.62 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.601 ( 3.049 2.306 1.445) 4.087 9.492 ( 8.484 15.548 -16.286) 24.061 10.123 ( 4.853 20.742 4.512) 21.775 11.477 ( 3.694 5.070 3.635) 7.250 11.961 ( 2.902 1.224 -11.786) 12.200 12.273 ( -9.849 7.540 -3.471) 12.880 13.806 ( 7.333 4.571 -4.048) 9.542 15.255 ( -4.688 -25.429 -8.603) 27.251 16.015 ( -16.632 16.015 -6.292) 23.931 18.421 ( 13.569 4.263 19.175) 23.874 18.883 ( 29.912 11.376 4.404) 32.304 19.804 ( -20.837 -21.146 2.322) 29.778 ======================= Grid point 1427 (510/891) ======================= q-point: (-0.33 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.631 ( -1.131 -1.320 1.269) 2.152 9.506 ( -11.282 5.807 -19.116) 22.944 10.287 ( -9.084 15.161 4.541) 18.248 11.752 ( 17.503 10.550 10.968) 23.194 11.983 ( 2.208 0.792 -10.141) 10.409 12.218 ( -5.079 10.690 -3.391) 12.311 13.969 ( 8.284 3.872 -4.551) 10.214 14.781 ( -14.293 -23.049 -19.439) 33.368 15.932 ( -11.101 13.786 -2.481) 17.873 18.496 ( -4.150 -5.379 12.699) 14.403 19.123 ( -20.472 -17.868 -0.720) 27.182 19.831 ( 40.211 11.897 16.639) 45.114 ======================= Grid point 1428 (511/891) ======================= q-point: (-0.29 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.505 ( -6.919 -13.803 -2.445) 15.632 9.182 ( -25.206 8.323 -13.950) 29.987 10.137 ( -23.057 8.863 3.520) 24.951 11.962 ( 0.524 -1.612 -4.353) 4.672 12.260 ( 4.064 12.955 -4.439) 14.285 12.358 ( 23.500 14.716 13.355) 30.776 14.080 ( -1.003 -0.889 -1.267) 1.844 14.278 ( -7.421 -14.947 -30.811) 35.040 15.847 ( -11.736 8.572 -0.705) 14.550 18.233 ( -21.367 -15.536 10.794) 28.538 18.642 ( -12.861 -12.600 0.568) 18.013 20.725 ( 41.123 12.813 16.606) 46.164 ======================= Grid point 1429 (512/891) ======================= q-point: (-0.24 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.038 ( -21.497 -28.024 -8.713) 36.378 8.799 ( -29.212 14.309 -7.720) 33.432 9.756 ( -28.905 4.569 3.881) 29.520 11.933 ( -0.365 -1.854 -2.269) 2.952 12.380 ( -0.248 11.893 -3.322) 12.351 12.924 ( 10.163 3.933 17.238) 20.394 13.909 ( 10.713 -0.360 -30.663) 32.483 14.122 ( -5.121 -5.932 -5.743) 9.716 15.690 ( -13.453 3.379 0.549) 13.882 17.678 ( -23.830 -15.352 2.391) 28.447 18.372 ( -10.214 -9.266 5.454) 14.830 21.566 ( 37.569 10.777 15.322) 41.980 ======================= Grid point 1430 (513/891) ======================= q-point: (-0.19 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.230 ( -34.181 -30.908 -9.010) 46.956 8.324 ( -38.738 8.254 -8.585) 40.528 9.345 ( -24.714 3.940 5.175) 25.556 11.896 ( -2.230 -2.070 2.020) 3.652 12.418 ( -4.056 -1.781 -2.431) 5.053 12.776 ( -18.726 1.481 -0.111) 18.785 13.671 ( -25.943 -17.300 -13.891) 34.136 14.542 ( 43.386 13.905 -3.581) 45.701 15.474 ( -13.065 -0.020 1.267) 13.126 17.211 ( -16.823 -7.223 -8.247) 20.080 18.150 ( -8.072 -7.027 9.949) 14.612 22.311 ( 33.383 8.436 12.780) 36.727 ======================= Grid point 1431 (514/891) ======================= q-point: (-0.14 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.253 ( -41.452 -30.439 -5.625) 51.734 7.578 ( -49.981 1.462 -9.697) 50.934 9.030 ( -19.313 3.541 4.155) 20.070 11.745 ( -17.977 -11.313 11.895) 24.344 12.117 ( -10.663 -11.205 -7.801) 17.323 12.611 ( -17.558 3.602 -3.262) 18.218 12.840 ( -36.138 -11.843 -9.945) 39.308 15.077 ( -0.605 -11.464 1.412) 11.566 15.545 ( 24.626 12.523 -2.031) 27.702 16.916 ( -7.135 3.880 -17.320) 19.129 18.090 ( 2.451 -1.082 14.110) 14.362 22.949 ( 28.978 5.897 9.076) 30.933 ======================= Grid point 1439 (515/891) ======================= q-point: ( 0.24 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( -0.000 46.156 18.165) 49.602 3.429 ( -0.000 15.710 59.145) 61.196 5.243 ( -0.000 91.130 23.538) 94.120 7.773 ( 0.000 8.822 -6.506) 10.962 8.472 ( 0.000 35.223 -17.316) 39.249 12.470 ( 0.000 -0.061 -2.428) 2.429 13.006 ( -0.000 15.996 5.296) 16.850 13.219 ( -0.000 -13.373 17.854) 22.307 14.218 ( -0.000 5.990 1.906) 6.286 17.582 ( 0.000 1.418 -42.412) 42.436 20.800 ( -0.000 2.446 7.530) 7.917 24.327 ( 0.000 -15.031 -9.033) 17.537 ======================= Grid point 1440 (516/891) ======================= q-point: ( 0.29 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.516 ( 39.393 43.063 14.188) 60.063 3.858 ( 9.825 16.215 53.230) 56.506 6.320 ( 12.330 90.130 14.124) 92.059 7.897 ( 4.895 13.419 -5.592) 15.340 8.893 ( 14.526 34.809 -16.421) 41.138 12.467 ( 0.593 -0.621 -0.490) 0.989 13.025 ( -0.003 -5.057 15.058) 15.884 13.423 ( 9.906 13.418 2.731) 16.901 14.404 ( 11.413 10.939 2.122) 15.950 17.434 ( -0.478 -3.514 -37.600) 37.767 20.785 ( -1.175 -12.489 12.700) 17.851 23.994 ( -17.363 -12.513 -14.148) 25.655 ======================= Grid point 1441 (517/891) ======================= q-point: ( 0.33 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.434 ( 19.451 18.228 44.862) 52.184 4.744 ( 48.960 40.088 9.032) 63.919 7.398 ( 16.613 62.861 -1.218) 65.031 8.235 ( 11.403 36.608 2.566) 38.428 9.515 ( 26.407 31.081 -14.041) 43.134 12.465 ( 0.032 -2.338 3.014) 3.815 13.062 ( -2.201 7.332 7.589) 10.779 13.733 ( 17.908 0.071 1.804) 17.999 14.804 ( 16.649 17.709 0.892) 24.323 17.251 ( -1.227 -6.479 -30.908) 31.604 20.586 ( -7.029 -25.006 20.730) 33.233 23.443 ( -27.097 -8.724 -20.749) 35.226 ======================= Grid point 1442 (518/891) ======================= q-point: ( 0.38 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.161 ( 27.628 20.746 33.306) 47.990 5.983 ( 46.842 39.377 7.167) 61.613 7.976 ( 9.853 24.203 -13.556) 29.439 9.072 ( 19.020 63.411 7.858) 66.667 10.313 ( 38.277 28.464 -10.403) 48.821 12.438 ( -0.687 -4.267 4.230) 6.048 13.122 ( -7.327 17.162 2.156) 18.785 14.052 ( 23.833 -8.204 1.142) 25.231 15.251 ( 14.830 16.100 -2.857) 22.076 17.084 ( 0.205 -6.084 -22.112) 22.934 20.210 ( -14.001 -31.011 29.074) 44.755 22.799 ( -29.757 -6.300 -26.685) 40.463 ======================= Grid point 1443 (519/891) ======================= q-point: ( 0.43 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.983 ( 33.141 20.849 23.284) 45.553 7.140 ( 40.535 40.088 5.280) 57.254 8.277 ( 6.658 20.855 -13.741) 25.847 9.960 ( 16.915 48.664 1.401) 51.539 11.281 ( 44.337 27.481 -8.292) 52.818 12.394 ( -0.474 -4.332 3.817) 5.793 13.154 ( -11.561 21.430 -0.537) 24.356 14.387 ( 24.894 -8.888 0.657) 26.441 15.562 ( 10.041 7.192 -5.390) 13.476 17.018 ( 4.043 -1.958 -13.987) 14.690 19.728 ( -19.591 -28.854 33.970) 48.686 22.150 ( -27.518 -7.160 -28.477) 40.242 ======================= Grid point 1444 (520/891) ======================= q-point: ( 0.48 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.826 ( 35.050 18.306 14.842) 42.236 8.174 ( 32.876 39.675 3.992) 51.680 8.545 ( 4.333 24.472 -12.659) 27.891 10.612 ( 14.279 31.710 -2.644) 34.877 12.065 ( 19.480 5.665 -16.335) 26.046 12.474 ( 14.043 9.202 5.202) 17.577 13.167 ( -11.189 24.249 0.675) 26.714 14.715 ( 22.153 -7.080 0.441) 23.261 15.761 ( 12.789 1.142 0.028) 12.840 17.058 ( 4.654 1.111 -11.639) 12.585 19.245 ( -21.150 -19.739 32.434) 43.462 21.540 ( -23.080 -11.285 -24.275) 35.346 ======================= Grid point 1445 (521/891) ======================= q-point: ( 0.52 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.601 ( 32.300 13.201 7.797) 35.754 8.815 ( 4.704 26.238 -9.042) 28.148 9.072 ( 23.338 40.863 1.039) 47.069 11.065 ( 10.951 19.686 -3.694) 22.827 12.083 ( -0.633 -4.972 -15.089) 15.900 12.747 ( -1.873 8.698 -5.374) 10.394 13.376 ( 5.103 23.961 3.461) 24.742 14.982 ( 16.884 -7.652 0.506) 18.544 16.105 ( 23.818 2.398 7.644) 25.129 17.091 ( 2.013 3.539 -10.281) 11.058 18.875 ( -16.300 -8.774 24.178) 30.451 20.978 ( -19.035 -16.955 -15.556) 29.863 ======================= Grid point 1446 (522/891) ======================= q-point: ( 0.57 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.195 ( 22.684 7.470 2.659) 24.029 9.150 ( 6.603 29.378 -10.152) 31.777 9.790 ( 15.134 36.670 2.515) 39.750 11.355 ( 6.266 11.985 -2.451) 13.745 11.955 ( -2.425 -2.689 -15.626) 16.040 12.682 ( -11.287 9.492 -3.837) 15.239 13.642 ( 2.404 13.844 -0.015) 14.052 15.121 ( 10.402 -12.914 -0.376) 16.586 16.459 ( 4.492 3.815 -1.152) 6.005 17.324 ( 25.202 11.858 4.818) 28.266 18.686 ( -7.197 -2.834 13.660) 15.698 20.445 ( -17.180 -22.331 -5.977) 28.802 ======================= Grid point 1447 (523/891) ======================= q-point: ( 0.62 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.532 ( 9.897 4.576 0.484) 10.914 9.510 ( 6.634 25.355 -14.671) 30.035 10.316 ( 6.070 31.086 5.801) 32.200 11.513 ( 1.447 9.551 0.850) 9.697 11.888 ( 1.640 1.417 -13.738) 13.908 12.565 ( -12.737 11.491 -2.989) 17.413 13.764 ( 1.537 7.668 -2.575) 8.233 15.044 ( 0.045 -20.225 -4.555) 20.732 16.408 ( -12.853 13.551 -7.975) 20.309 18.097 ( 39.513 11.049 17.233) 44.500 18.654 ( 3.592 -1.566 5.223) 6.530 19.903 ( -17.704 -26.433 1.417) 31.845 ======================= Grid point 1448 (524/891) ======================= q-point: ( 0.67 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.641 ( 0.140 0.409 -0.611) 0.748 9.697 ( -4.522 18.473 -17.814) 26.059 10.650 ( -4.090 27.576 8.381) 29.110 11.673 ( 6.472 11.178 5.109) 13.890 11.915 ( 2.977 2.279 -11.309) 11.914 12.476 ( -10.663 14.410 -2.932) 18.165 13.864 ( 5.271 4.229 -4.788) 8.282 14.713 ( -10.350 -21.538 -11.233) 26.405 16.306 ( -14.521 17.633 -6.422) 23.728 18.510 ( 1.273 -4.689 12.676) 13.575 19.118 ( 27.192 4.619 3.645) 27.821 19.375 ( -1.574 -23.647 10.993) 26.125 ======================= Grid point 1449 (525/891) ======================= q-point: (-0.29 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.527 ( -8.906 -8.516 -2.745) 12.624 9.622 ( -17.160 17.542 -14.071) 28.288 10.718 ( -21.913 24.399 5.834) 33.310 11.918 ( 1.916 -0.775 -3.133) 3.754 12.054 ( 20.450 13.222 2.403) 24.470 12.487 ( -5.114 16.507 -1.538) 17.349 13.987 ( 7.943 0.138 -7.656) 11.033 14.248 ( -15.598 -15.515 -15.730) 27.045 16.195 ( -15.769 14.514 -3.769) 21.761 18.413 ( -10.559 -12.034 12.084) 20.058 18.718 ( -15.871 -21.571 0.397) 26.783 20.117 ( 47.029 5.675 14.518) 49.545 ======================= Grid point 1450 (526/891) ======================= q-point: (-0.24 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.139 ( -19.843 -17.983 -4.694) 27.188 9.403 ( -25.038 19.621 -10.242) 33.419 10.445 ( -35.453 19.147 4.120) 40.503 11.908 ( 0.278 -0.788 -3.398) 3.500 12.517 ( 1.900 14.393 -8.049) 16.600 12.702 ( 23.877 9.057 15.879) 30.072 13.781 ( -10.413 -9.078 -26.936) 30.272 14.093 ( 1.566 0.136 -1.693) 2.310 16.013 ( -17.713 7.586 -1.160) 19.304 17.934 ( -23.862 -19.094 5.826) 31.112 18.428 ( -6.072 -11.179 4.082) 13.360 20.990 ( 44.161 3.955 12.973) 46.196 ======================= Grid point 1451 (527/891) ======================= q-point: (-0.19 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.488 ( -30.645 -22.587 -4.122) 38.292 9.060 ( -34.407 17.936 -10.583) 40.219 9.986 ( -37.670 14.750 4.640) 40.720 11.898 ( 0.070 -0.359 -0.821) 0.898 12.493 ( -7.710 -3.947 -4.576) 9.795 13.071 ( -4.475 9.748 5.537) 12.072 13.671 ( 6.591 -3.215 -25.862) 26.881 14.122 ( 11.068 4.465 5.873) 13.301 15.736 ( -17.900 -1.191 1.106) 17.973 17.420 ( -19.098 -9.444 -2.851) 21.495 18.233 ( -7.111 -9.191 7.851) 14.024 21.774 ( 40.101 1.764 10.126) 41.397 ======================= Grid point 1452 (528/891) ======================= q-point: (-0.14 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.658 ( -38.925 -22.625 -0.847) 45.031 8.474 ( -48.373 13.582 -11.550) 51.554 9.540 ( -30.951 11.026 4.117) 33.114 11.881 ( -3.902 -1.805 4.022) 5.887 12.160 ( -13.439 -15.810 -6.954) 21.884 13.026 ( -18.185 15.904 -2.360) 24.274 13.256 ( -28.169 -11.016 -10.239) 31.933 14.707 ( 32.772 2.483 1.942) 32.923 15.457 ( -6.958 -3.834 1.207) 8.036 17.090 ( -13.213 2.577 -11.117) 17.459 18.102 ( -2.145 -5.264 12.193) 13.453 22.451 ( 35.530 -0.637 6.081) 36.052 ======================= Grid point 1461 (529/891) ======================= q-point: ( 0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.692 ( -0.000 51.188 12.574) 52.710 4.122 ( -0.000 18.242 51.235) 54.386 7.189 ( -0.000 93.535 10.211) 94.090 7.943 ( 0.000 12.572 -5.965) 13.916 9.088 ( 0.000 38.688 -15.963) 41.852 12.445 ( 0.000 -0.505 -3.011) 3.053 12.872 ( -0.000 -18.836 20.392) 27.760 13.702 ( -0.000 35.567 -1.763) 35.611 14.388 ( -0.000 9.543 2.535) 9.874 17.271 ( 0.000 -6.031 -34.276) 34.802 20.681 ( -0.000 -21.376 15.816) 26.591 23.969 ( 0.000 -12.310 -17.263) 21.203 ======================= Grid point 1462 (530/891) ======================= q-point: ( 0.33 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.497 ( 25.566 42.275 20.844) 53.622 4.561 ( 13.005 27.715 33.502) 45.383 7.880 ( -6.869 43.065 -6.388) 44.075 8.418 ( 21.006 60.949 5.511) 64.703 9.497 ( 9.335 37.061 -14.353) 40.825 12.444 ( 0.914 -1.652 0.349) 1.920 12.878 ( 13.201 -14.414 13.700) 23.869 13.906 ( -11.866 28.809 -1.121) 31.177 14.683 ( 16.765 16.215 1.103) 23.350 17.090 ( -0.244 -8.378 -28.813) 30.007 20.463 ( -2.763 -30.300 20.102) 36.466 23.654 ( -15.570 -10.252 -20.867) 27.981 ======================= Grid point 1463 (531/891) ======================= q-point: ( 0.38 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.118 ( 16.750 23.518 36.088) 46.217 5.636 ( 42.554 44.650 6.808) 62.055 8.112 ( 0.880 26.925 -11.698) 29.370 9.478 ( 17.541 72.342 7.691) 74.834 10.030 ( 21.305 30.564 -14.209) 39.874 12.426 ( -0.722 -3.954 4.574) 6.090 13.108 ( 20.117 -5.292 5.225) 21.448 13.946 ( -9.272 19.356 -0.477) 21.467 15.143 ( 15.590 16.717 -2.375) 22.982 16.926 ( 1.379 -8.334 -21.034) 22.667 20.139 ( -6.032 -35.046 25.027) 43.485 23.130 ( -25.658 -8.047 -24.164) 36.152 ======================= Grid point 1464 (532/891) ======================= q-point: ( 0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.804 ( 23.519 24.145 26.505) 42.879 6.825 ( 44.065 41.391 5.144) 60.675 8.381 ( 4.142 27.597 -13.529) 31.013 10.296 ( 4.744 51.310 2.508) 51.590 10.827 ( 38.673 33.362 -10.987) 52.243 12.387 ( -1.076 -3.101 5.453) 6.365 13.431 ( 11.510 10.211 0.770) 15.406 14.005 ( 3.109 5.995 -0.295) 6.760 15.462 ( 8.476 8.064 -5.416) 12.892 16.864 ( 5.528 -3.844 -12.769) 14.435 19.762 ( -8.771 -33.594 29.267) 45.410 22.489 ( -30.079 -7.652 -25.963) 40.465 ======================= Grid point 1465 (533/891) ======================= q-point: ( 0.48 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.547 ( 27.497 22.461 17.992) 39.803 7.945 ( 39.452 37.334 3.330) 54.418 8.705 ( 4.860 32.699 -13.675) 35.775 10.788 ( 5.012 34.465 -1.156) 34.846 11.679 ( 29.606 17.199 -14.408) 37.148 12.424 ( 4.443 6.985 6.908) 10.782 13.634 ( -9.453 27.704 -0.334) 29.274 14.220 ( 23.330 -8.011 -0.113) 24.668 15.590 ( 6.634 -1.030 -2.512) 7.168 16.934 ( 7.233 1.402 -9.197) 11.784 19.399 ( -10.738 -26.153 30.427) 41.534 21.804 ( -29.629 -10.239 -24.702) 39.911 ======================= Grid point 1466 (534/891) ======================= q-point: ( 0.52 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.275 ( 27.858 18.815 10.705) 35.280 8.831 ( 23.069 26.181 -4.269) 35.154 9.164 ( 13.043 44.813 -6.439) 47.115 11.151 ( 4.484 24.576 -1.954) 25.058 11.950 ( 6.224 -3.035 -15.750) 17.205 12.730 ( 10.237 12.020 0.947) 15.817 13.738 ( -10.564 31.942 1.518) 33.677 14.565 ( 23.540 -7.592 0.281) 24.735 15.751 ( 17.503 -3.732 4.038) 18.347 17.040 ( 4.995 4.523 -8.369) 10.744 19.096 ( -11.871 -15.717 26.125) 32.718 21.130 ( -25.578 -15.848 -19.275) 35.734 ======================= Grid point 1467 (535/891) ======================= q-point: ( 0.57 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.909 ( 23.966 13.988 4.767) 28.156 9.290 ( 8.293 28.263 -11.702) 31.695 9.891 ( 18.051 40.250 2.190) 44.167 11.417 ( 3.192 18.126 -1.887) 18.501 11.908 ( -0.150 -1.333 -15.400) 15.458 12.865 ( -2.436 5.716 -2.174) 6.582 13.894 ( -7.891 26.770 0.542) 27.914 14.805 ( 13.349 -9.364 0.809) 16.326 16.162 ( 28.783 -0.805 5.147) 29.251 17.171 ( 7.660 9.037 -3.778) 12.434 18.861 ( -11.115 -7.348 17.347) 21.874 20.500 ( -20.230 -23.078 -10.415) 32.409 ======================= Grid point 1468 (536/891) ======================= q-point: ( 0.62 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.373 ( 15.823 8.943 0.550) 18.183 9.642 ( 4.952 28.841 -14.074) 32.471 10.508 ( 10.969 31.173 7.324) 33.848 11.613 ( 1.838 14.631 -1.623) 14.835 11.863 ( -0.970 6.173 -14.365) 15.665 12.826 ( -6.856 6.392 -1.871) 9.558 13.957 ( -10.587 18.823 -1.564) 21.653 14.832 ( 3.423 -14.151 -1.202) 14.608 16.559 ( 9.557 8.431 -4.302) 13.451 17.587 ( 31.678 8.884 8.972) 34.102 18.690 ( -7.162 -4.623 8.934) 12.348 19.913 ( -16.573 -29.417 -1.352) 33.792 ======================= Grid point 1469 (537/891) ======================= q-point: ( 0.67 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.612 ( 5.128 3.407 -1.873) 6.435 9.905 ( -0.642 26.208 -16.167) 30.800 10.941 ( 5.254 24.052 13.147) 27.910 11.753 ( 2.055 8.220 -2.021) 8.710 11.916 ( -1.886 17.666 -11.528) 21.179 12.770 ( -8.038 9.864 -2.077) 12.892 13.923 ( -8.363 10.454 -3.492) 13.836 14.649 ( -6.281 -14.076 -5.859) 16.490 16.662 ( -7.720 17.135 -7.631) 20.284 18.350 ( 34.480 2.353 17.319) 38.657 18.620 ( 10.088 -4.601 2.090) 11.283 19.338 ( -16.032 -32.809 4.487) 36.791 ======================= Grid point 1470 (538/891) ======================= q-point: (-0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.595 ( -6.319 -3.395 -2.957) 7.759 10.011 ( -9.912 24.477 -15.010) 30.376 11.257 ( -3.321 24.768 12.423) 27.907 11.850 ( 4.931 1.328 0.969) 5.198 12.029 ( -2.660 20.425 -8.725) 22.369 12.739 ( -7.301 12.029 -2.340) 14.265 13.869 ( -1.196 -2.247 -7.074) 7.518 14.358 ( -12.703 -2.958 -8.877) 15.777 16.608 ( -15.578 16.825 -5.716) 23.631 18.443 ( -2.043 -9.002 8.651) 12.651 18.754 ( -16.793 -31.367 4.776) 35.898 19.349 ( 50.800 0.225 11.233) 52.028 ======================= Grid point 1471 (539/891) ======================= q-point: (-0.24 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.315 ( -17.610 -9.709 -2.700) 20.290 9.956 ( -18.963 23.989 -12.648) 33.091 11.278 ( -28.657 26.438 5.824) 39.422 11.909 ( -1.589 3.122 -0.314) 3.517 12.306 ( 20.597 11.263 -2.754) 23.636 12.723 ( -4.368 3.845 0.878) 5.886 13.753 ( -1.923 -7.943 -13.953) 16.170 14.186 ( -9.254 11.516 -5.239) 15.675 16.415 ( -20.501 8.469 -2.313) 22.301 18.133 ( -20.154 -22.289 7.662) 31.011 18.384 ( -1.286 -12.786 3.103) 13.220 20.238 ( 49.684 -1.846 10.203) 50.754 ======================= Grid point 1472 (540/891) ======================= q-point: (-0.19 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.805 ( -27.853 -13.145 -0.847) 30.811 9.747 ( -27.667 22.103 -12.252) 37.472 10.897 ( -43.721 22.139 3.727) 49.148 11.906 ( -1.207 2.741 -0.662) 3.068 12.516 ( -4.472 -9.471 -12.338) 16.184 12.930 ( 26.689 5.897 10.613) 29.321 13.630 ( -4.913 6.049 -15.284) 17.155 14.171 ( -5.720 11.647 -0.287) 12.979 16.059 ( -22.794 -4.975 1.069) 23.355 17.638 ( -18.469 -11.258 0.614) 21.639 18.253 ( -3.357 -9.959 6.176) 12.190 21.057 ( 46.250 -3.813 7.169) 46.957 ======================= Grid point 1473 (541/891) ======================= q-point: (-0.14 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.129 ( -36.208 -12.864 2.742) 38.523 9.344 ( -39.078 18.748 -13.227) 45.316 10.325 ( -44.162 14.628 2.979) 46.617 11.921 ( -0.560 3.037 0.977) 3.239 12.193 ( -11.598 -17.107 -8.401) 22.310 13.320 ( 1.663 0.183 -4.097) 4.425 13.537 ( -10.485 12.630 -7.327) 17.976 14.323 ( 13.369 11.320 5.562) 18.380 15.597 ( -18.269 -14.511 2.023) 23.418 17.311 ( -13.490 1.518 -6.091) 14.879 18.131 ( -3.483 -6.931 10.018) 12.670 21.776 ( 41.702 -5.780 2.822) 42.195 ======================= Grid point 1483 (542/891) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.785 ( -0.000 51.969 10.108) 52.942 4.848 ( -0.000 24.480 39.762) 46.693 8.180 ( 0.000 15.220 -5.248) 16.099 8.972 ( -0.000 82.671 -4.842) 82.812 9.784 ( 0.000 42.273 -8.326) 43.085 12.414 ( 0.000 -0.629 -2.904) 2.971 12.664 ( -0.000 -14.576 16.249) 21.829 14.409 ( -0.000 36.786 -2.570) 36.876 14.618 ( -0.000 11.889 2.562) 12.162 16.907 ( 0.000 -10.537 -24.409) 26.586 20.230 ( -0.000 -35.458 20.868) 41.143 23.610 ( 0.000 -10.856 -22.387) 24.881 ======================= Grid point 1484 (543/891) ======================= q-point: ( 0.38 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.285 ( 7.109 26.881 33.942) 43.877 5.540 ( 24.300 49.366 8.094) 55.615 8.315 ( 0.015 19.772 -6.983) 20.969 9.812 ( 16.951 59.716 -15.585) 64.002 10.234 ( 0.675 50.894 0.980) 50.907 12.411 ( 0.497 -2.001 2.042) 2.901 12.711 ( 14.927 -9.648 9.319) 20.068 14.440 ( -17.992 24.970 0.063) 30.777 15.044 ( 16.116 20.376 -1.742) 26.037 16.737 ( 1.724 -11.110 -17.697) 20.966 19.923 ( -1.882 -37.605 22.396) 43.810 23.304 ( -14.046 -10.437 -23.806) 29.545 ======================= Grid point 1485 (544/891) ======================= q-point: ( 0.43 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.834 ( 13.688 27.733 26.503) 40.729 6.560 ( 36.766 44.323 6.332) 57.934 8.544 ( 4.163 25.645 -9.628) 27.708 10.500 ( 18.830 27.621 -15.746) 36.952 10.844 ( 6.418 58.561 0.107) 58.912 12.410 ( -0.671 1.088 6.162) 6.293 13.023 ( 26.386 -4.846 3.386) 27.040 14.378 ( -17.194 23.092 -0.069) 28.790 15.402 ( 7.465 11.374 -4.500) 14.330 16.669 ( 6.905 -6.332 -9.792) 13.552 19.601 ( -2.595 -35.198 24.291) 42.845 22.790 ( -24.211 -10.236 -24.509) 35.939 ======================= Grid point 1486 (545/891) ======================= q-point: ( 0.48 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.457 ( 18.769 26.582 19.108) 37.736 7.641 ( 39.243 37.584 4.070) 54.490 8.896 ( 7.259 33.476 -11.115) 36.012 10.956 ( 11.635 22.375 -6.804) 26.121 11.449 ( 13.493 27.063 -11.185) 32.243 12.500 ( 1.342 14.060 6.984) 15.756 13.502 ( 31.465 -0.926 1.809) 31.530 14.305 ( -16.898 21.839 -0.686) 27.621 15.504 ( 1.521 -0.112 -2.477) 2.909 16.777 ( 10.103 1.652 -5.909) 11.820 19.325 ( -2.506 -28.796 25.446) 38.510 22.136 ( -29.987 -11.478 -23.904) 40.029 ======================= Grid point 1487 (546/891) ======================= q-point: ( 0.52 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.102 ( 21.344 23.517 12.390) 34.090 8.596 ( 32.660 28.065 -0.611) 43.066 9.386 ( 10.588 43.207 -8.729) 45.334 11.301 ( 6.284 20.201 -2.738) 21.332 11.724 ( 10.204 0.620 -14.782) 17.973 12.754 ( 4.415 18.375 3.043) 19.142 14.045 ( 30.279 -4.170 1.796) 30.617 14.268 ( -13.203 30.399 0.042) 33.142 15.512 ( 5.036 -6.166 2.780) 8.433 16.958 ( 8.088 6.437 -5.556) 11.735 19.121 ( -2.888 -20.752 24.080) 31.919 21.404 ( -31.385 -14.976 -21.238) 40.748 ======================= Grid point 1488 (547/891) ======================= q-point: ( 0.57 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.706 ( 20.783 18.972 6.530) 28.888 9.276 ( 20.076 24.126 -7.940) 32.375 10.023 ( 14.191 42.949 -1.127) 45.247 11.545 ( 2.223 16.112 -2.580) 16.468 11.807 ( 6.969 1.135 -14.113) 15.781 12.931 ( -0.176 7.845 -0.217) 7.850 14.233 ( 2.350 5.564 -0.787) 6.091 14.620 ( 6.047 24.618 3.747) 25.625 15.658 ( 22.585 -9.123 5.456) 24.961 17.139 ( 6.155 9.869 -4.296) 12.399 18.965 ( -4.809 -13.491 19.271) 24.011 20.651 ( -28.592 -21.033 -15.806) 38.855 ======================= Grid point 1489 (548/891) ======================= q-point: ( 0.62 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.203 ( 16.776 13.329 1.650) 21.490 9.749 ( 11.104 26.451 -11.949) 31.076 10.622 ( 11.836 29.679 6.735) 32.654 11.664 ( 2.075 6.040 -8.208) 10.400 11.955 ( 3.106 19.684 -9.100) 21.907 12.931 ( -3.441 1.571 -0.752) 3.857 14.330 ( -1.874 12.463 -2.228) 12.799 14.766 ( -9.257 10.460 4.334) 14.625 16.160 ( 37.086 -1.674 2.755) 37.226 17.359 ( 10.181 10.460 0.066) 14.596 18.808 ( -7.611 -8.390 12.130) 16.597 19.929 ( -22.531 -28.838 -7.646) 37.386 ======================= Grid point 1490 (549/891) ======================= q-point: ( 0.67 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.529 ( 9.377 7.011 -1.767) 11.841 10.101 ( 4.057 27.718 -13.752) 31.207 11.053 ( 8.893 17.028 13.621) 23.550 11.724 ( 3.155 3.997 -9.197) 10.512 12.194 ( -1.454 29.319 -7.662) 30.339 12.885 ( -1.667 0.346 -1.209) 2.088 14.346 ( -17.500 21.581 -3.038) 27.950 14.636 ( -7.742 -2.927 0.702) 8.307 16.725 ( 19.733 11.219 -4.391) 23.120 17.758 ( 29.889 1.649 9.019) 31.263 18.621 ( -8.557 -7.277 5.064) 12.322 19.278 ( -15.802 -34.552 1.100) 38.010 ======================= Grid point 1491 (550/891) ======================= q-point: ( 0.71 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.635 ( -0.787 0.980 -2.938) 3.196 10.332 ( -3.359 27.476 -14.706) 31.345 11.390 ( 8.912 12.349 13.828) 20.570 11.793 ( 3.839 2.922 -3.111) 5.741 12.385 ( -6.774 27.143 -7.046) 28.849 12.888 ( -0.292 3.740 -1.950) 4.228 14.077 ( -26.335 6.730 -4.294) 27.518 14.552 ( -7.125 11.260 -4.469) 14.055 16.963 ( -5.981 17.953 -6.633) 20.052 18.399 ( 21.458 -9.767 16.217) 28.615 18.426 ( 12.717 -22.519 1.167) 25.888 18.775 ( -2.259 -19.569 3.254) 19.966 ======================= Grid point 1492 (551/891) ======================= q-point: (-0.24 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.502 ( -12.255 -3.517 -1.821) 12.879 10.420 ( -11.646 26.230 -14.973) 32.370 11.637 ( 3.231 7.543 -1.955) 8.435 11.963 ( 10.584 7.184 15.710) 20.259 12.430 ( -12.784 19.939 -5.838) 24.394 12.863 ( -10.583 5.343 -2.437) 12.103 13.699 ( -11.258 -5.856 -8.178) 15.097 14.544 ( -12.337 23.732 -5.604) 27.328 16.840 ( -20.875 7.042 -2.960) 22.229 18.166 ( -5.757 -28.568 4.062) 29.424 18.291 ( -3.887 -11.420 6.658) 13.778 19.361 ( 50.990 -5.485 7.034) 51.764 ======================= Grid point 1493 (552/891) ======================= q-point: (-0.19 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.151 ( -23.021 -5.635 0.828) 23.715 10.342 ( -20.688 23.773 -14.718) 34.782 11.630 ( -11.543 6.573 -5.721) 14.463 12.202 ( -21.835 21.433 16.434) 34.731 12.367 ( 2.562 -2.553 -14.384) 14.832 12.681 ( 3.418 -3.066 7.059) 8.421 13.600 ( 4.814 -2.565 -7.903) 9.603 14.558 ( -14.405 28.798 -4.406) 32.500 16.400 ( -26.056 -12.116 1.194) 28.760 17.811 ( -13.249 -10.625 1.898) 17.089 18.194 ( 0.760 -9.655 4.975) 10.888 20.189 ( 50.879 -7.769 4.336) 51.651 ======================= Grid point 1494 (553/891) ======================= q-point: (-0.14 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.637 ( -31.719 -4.830 4.585) 32.410 10.076 ( -30.319 19.826 -14.439) 38.998 11.229 ( -41.340 7.556 -3.692) 42.186 12.038 ( -10.101 7.506 1.451) 12.668 12.162 ( -7.646 -11.551 -7.108) 15.569 13.055 ( 22.833 1.386 4.134) 23.246 13.658 ( 3.462 3.346 -2.186) 5.288 14.593 ( -13.860 29.281 -0.645) 32.402 15.784 ( -24.405 -23.557 2.262) 33.995 17.531 ( -13.071 -0.011 -2.666) 13.341 18.138 ( -1.021 -5.936 8.011) 10.022 20.949 ( 47.116 -9.101 -0.195) 47.988 ======================= Grid point 1505 (554/891) ======================= q-point: ( 0.38 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.611 ( -0.000 29.414 28.996) 41.303 5.854 ( -0.000 50.049 8.956) 50.844 8.463 ( 0.000 16.797 -4.608) 17.417 10.111 ( 0.000 44.693 -23.859) 50.663 10.797 ( -0.000 57.375 2.837) 57.445 12.382 ( 0.000 -0.886 -2.164) 2.338 12.557 ( -0.000 -4.417 14.434) 15.094 14.878 ( -0.000 12.867 1.910) 13.008 15.078 ( 0.000 32.498 -3.124) 32.648 16.545 ( 0.000 -13.245 -12.248) 18.040 19.639 ( -0.000 -37.126 20.719) 42.516 23.232 ( 0.000 -12.032 -24.087) 26.925 ======================= Grid point 1506 (555/891) ======================= q-point: ( 0.43 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.044 ( 5.686 30.414 23.899) 39.096 6.540 ( 19.953 46.406 7.800) 51.113 8.660 ( 4.976 19.978 -5.531) 21.318 10.497 ( 8.493 32.865 -20.849) 39.837 11.299 ( 0.326 41.016 -2.973) 41.124 12.438 ( 5.819 3.973 0.038) 7.046 12.686 ( 9.547 4.736 12.025) 16.068 14.870 ( -13.804 18.364 0.824) 22.989 15.424 ( 4.520 18.305 -2.905) 19.078 16.448 ( 6.780 -8.701 -5.341) 12.256 19.357 ( -0.190 -32.821 19.862) 38.364 22.914 ( -12.932 -13.009 -24.100) 30.287 ======================= Grid point 1507 (556/891) ======================= q-point: ( 0.48 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.550 ( 10.529 29.591 18.334) 36.368 7.430 ( 30.612 39.311 5.812) 50.161 9.008 ( 11.371 27.544 -7.155) 30.646 10.885 ( 12.253 22.001 -14.901) 29.261 11.561 ( 0.324 15.897 -7.285) 17.490 12.649 ( 6.607 15.207 -0.077) 16.581 13.042 ( 19.894 8.121 8.827) 23.230 14.796 ( -15.709 17.410 -0.383) 23.452 15.530 ( -2.436 4.574 0.416) 5.199 16.591 ( 12.558 3.772 -1.998) 13.263 19.136 ( 0.624 -26.082 19.475) 32.557 22.391 ( -23.088 -14.200 -23.420) 35.822 ======================= Grid point 1508 (557/891) ======================= q-point: ( 0.52 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.093 ( 14.054 26.859 12.887) 32.939 8.324 ( 31.587 29.479 2.290) 43.267 9.543 ( 16.028 38.300 -7.222) 42.142 11.242 ( 14.272 13.122 -9.023) 21.384 11.623 ( 0.505 3.395 -8.718) 9.369 12.899 ( 3.707 15.792 -2.288) 16.382 13.538 ( 26.441 4.331 6.499) 27.570 14.705 ( -10.701 14.031 -0.633) 17.658 15.515 ( -4.849 4.751 5.381) 8.662 16.862 ( 10.683 10.520 -2.343) 15.175 18.995 ( 1.307 -19.751 18.674) 27.212 21.711 ( -29.831 -16.389 -21.710) 40.371 ======================= Grid point 1509 (558/891) ======================= q-point: ( 0.57 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.625 ( 15.471 22.422 7.807) 28.338 9.073 ( 26.817 22.266 -2.428) 34.940 10.206 ( 14.736 42.925 -4.147) 45.573 11.582 ( 16.690 8.246 -6.754) 19.803 11.624 ( 0.452 3.133 -8.134) 8.729 13.033 ( -1.121 8.244 -3.085) 8.874 13.979 ( 19.324 -2.281 5.348) 20.180 14.826 ( 11.130 15.894 0.588) 19.413 15.492 ( -8.188 7.981 7.224) 13.525 17.126 ( 7.147 13.690 -2.710) 15.679 18.903 ( 0.877 -15.651 16.674) 22.885 20.927 ( -32.845 -20.087 -18.613) 42.764 ======================= Grid point 1510 (559/891) ======================= q-point: ( 0.62 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.092 ( 14.228 16.562 3.191) 22.066 9.675 ( 21.012 21.254 -5.900) 30.464 10.771 ( 7.840 31.291 2.582) 32.362 11.636 ( 2.424 3.317 -11.574) 12.282 11.974 ( 15.280 18.324 -4.523) 24.284 13.009 ( -4.886 0.505 -2.549) 5.534 14.221 ( 12.070 -0.825 4.906) 13.055 15.329 ( -3.243 38.061 1.789) 38.241 15.467 ( 21.174 -13.381 6.025) 25.763 17.355 ( 4.919 13.829 -2.178) 14.838 18.814 ( -0.955 -13.390 13.432) 18.990 20.094 ( -31.820 -25.416 -13.832) 43.009 ======================= Grid point 1511 (560/891) ======================= q-point: ( 0.67 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.438 ( 10.240 10.009 -0.435) 14.326 10.169 ( 14.032 23.282 -8.210) 28.396 11.121 ( 5.527 15.520 10.253) 19.405 11.693 ( 2.608 6.980 -11.478) 13.685 12.385 ( 8.668 24.074 -5.833) 26.244 12.896 ( -4.073 -4.267 -2.236) 6.309 14.462 ( 10.536 7.934 3.610) 13.674 15.194 ( -29.965 22.389 2.748) 37.506 16.163 ( 45.030 2.327 1.463) 45.114 17.553 ( 5.968 8.538 0.148) 10.418 18.688 ( -4.309 -11.223 9.029) 15.035 19.278 ( -26.021 -31.670 -7.170) 41.611 ======================= Grid point 1512 (561/891) ======================= q-point: ( 0.71 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.625 ( 3.752 4.319 -2.104) 6.096 10.540 ( 5.119 24.899 -11.141) 27.754 11.386 ( 7.996 8.468 12.913) 17.389 11.772 ( 2.000 7.180 -6.536) 9.913 12.642 ( -1.910 16.195 -6.318) 17.488 12.830 ( 4.565 -3.539 -1.026) 5.866 14.727 ( -1.412 20.239 -0.899) 20.308 14.829 ( -34.400 21.106 0.070) 40.358 16.924 ( 33.684 10.581 -2.786) 35.417 17.724 ( 14.123 -12.356 6.161) 19.751 18.468 ( -13.739 -10.745 -0.538) 17.451 18.637 ( -6.637 -28.759 4.722) 29.890 ======================= Grid point 1513 (562/891) ======================= q-point: (-0.24 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.633 ( -5.116 0.734 -1.379) 5.350 10.749 ( -3.473 23.689 -14.573) 28.029 11.607 ( 4.488 5.602 -0.260) 7.183 11.911 ( 8.436 6.672 11.927) 16.061 12.603 ( -5.463 -2.066 -5.324) 7.903 12.979 ( 8.474 6.307 -0.269) 10.567 14.256 ( -45.966 16.708 -4.055) 49.077 14.970 ( -6.576 30.987 -3.381) 31.857 17.215 ( -16.825 4.514 -3.235) 17.718 17.770 ( 21.543 -32.123 4.043) 38.889 18.270 ( -2.322 -10.695 5.451) 12.226 18.584 ( 27.388 -9.019 3.744) 29.077 ======================= Grid point 1514 (563/891) ======================= q-point: (-0.19 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.457 ( -15.442 -0.547 1.215) 15.499 10.793 ( -11.382 21.659 -16.727) 29.639 11.652 ( 0.915 -0.150 -8.248) 8.300 12.240 ( 8.964 9.599 10.194) 16.626 12.428 ( -0.410 -13.688 5.718) 14.840 13.178 ( -4.593 18.858 2.364) 19.553 13.602 ( -35.313 3.286 -6.419) 36.042 15.104 ( -13.497 34.428 -4.840) 37.294 16.678 ( -25.572 -24.845 2.137) 35.718 17.856 ( 1.948 -2.671 0.868) 3.418 18.108 ( -1.930 -9.993 3.747) 10.846 19.236 ( 50.638 -9.954 2.259) 51.657 ======================= Grid point 1515 (564/891) ======================= q-point: (-0.14 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.119 ( -24.857 0.527 4.845) 25.331 10.660 ( -21.624 18.541 -16.275) 32.806 11.558 ( -6.425 -7.710 -12.411) 15.961 12.095 ( -8.181 -10.098 -4.680) 13.813 12.724 ( 16.512 3.401 19.971) 26.136 12.792 ( -44.024 16.380 -0.724) 46.978 13.537 ( 12.180 2.922 -1.034) 12.568 15.169 ( -15.471 32.705 -3.213) 36.322 15.968 ( -26.950 -29.011 2.485) 39.675 17.728 ( -11.160 -1.085 -1.288) 11.286 18.100 ( 3.199 -2.832 6.386) 7.684 20.010 ( 50.906 -10.404 -2.504) 52.019 ======================= Grid point 1527 (565/891) ======================= q-point: ( 0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.379 ( -0.000 31.556 20.424) 37.589 6.850 ( -0.000 45.029 7.937) 45.724 8.775 ( 0.000 18.071 -4.058) 18.521 10.680 ( 0.000 31.068 -20.934) 37.463 11.569 ( 0.000 17.456 -5.346) 18.256 12.345 ( 0.000 -1.932 -1.162) 2.254 12.854 ( -0.000 26.352 11.702) 28.833 15.140 ( -0.000 12.654 0.891) 12.685 15.575 ( -0.000 13.768 0.029) 13.768 16.300 ( 0.000 -0.999 -0.629) 1.181 19.123 ( -0.000 -26.598 16.315) 31.203 22.805 ( 0.000 -15.200 -23.865) 28.295 ======================= Grid point 1528 (566/891) ======================= q-point: ( 0.48 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.786 ( 4.157 30.929 16.630) 35.361 7.438 ( 15.995 39.313 6.722) 42.971 9.032 ( 10.060 21.612 -4.294) 24.222 10.927 ( 3.857 24.386 -17.411) 30.211 11.639 ( -0.677 4.170 -5.810) 7.184 12.442 ( 13.797 -2.265 -1.569) 14.069 13.173 ( 0.666 28.391 7.099) 29.273 15.145 ( -11.884 7.091 0.390) 13.844 15.615 ( 0.522 -1.018 5.901) 6.011 16.486 ( 8.519 18.653 0.685) 20.518 18.955 ( 0.630 -18.958 13.908) 23.521 22.462 ( -12.167 -17.014 -23.256) 31.278 ======================= Grid point 1529 (567/891) ======================= q-point: ( 0.52 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.228 ( 7.433 28.432 12.670) 32.003 8.149 ( 23.865 29.851 4.228) 38.451 9.535 ( 21.007 30.134 -4.471) 37.004 11.158 ( 6.259 14.746 -12.001) 20.016 11.629 ( -0.534 1.627 -6.397) 6.623 12.715 ( 20.141 -2.285 -3.605) 20.588 13.460 ( 3.438 19.268 5.037) 20.210 14.920 ( -12.264 -6.753 2.873) 14.292 15.699 ( 0.438 10.279 7.790) 12.905 16.849 ( 7.517 24.299 0.401) 25.439 18.859 ( 0.966 -13.256 12.378) 18.162 21.913 ( -22.281 -18.990 -21.988) 36.613 ======================= Grid point 1530 (568/891) ======================= q-point: ( 0.57 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.670 ( 9.587 24.103 8.746) 27.374 8.831 ( 25.567 21.310 1.110) 33.302 10.270 ( 24.746 38.610 -3.929) 46.028 11.352 ( 10.190 4.012 -7.403) 13.218 11.637 ( 1.077 5.060 -6.227) 8.096 12.979 ( 12.577 -1.481 -6.158) 14.082 13.736 ( 11.985 7.756 6.768) 15.798 14.708 ( -0.670 -12.470 5.095) 13.487 15.849 ( -4.142 20.391 6.810) 21.894 17.194 ( 4.078 25.022 -0.330) 25.354 18.796 ( 0.587 -11.112 11.190) 15.781 21.198 ( -29.635 -21.581 -19.869) 41.699 ======================= Grid point 1531 (569/891) ======================= q-point: ( 0.62 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.071 ( 9.977 18.189 4.882) 21.313 9.452 ( 25.183 17.573 -0.705) 30.716 10.950 ( 9.724 32.050 0.062) 33.493 11.550 ( 10.091 5.766 -13.036) 17.464 11.806 ( 16.089 10.411 -0.648) 19.175 13.040 ( 0.154 -2.810 -5.750) 6.402 14.038 ( 13.076 2.283 9.381) 16.254 14.769 ( 23.889 -16.432 5.022) 29.426 15.990 ( -10.694 30.024 4.663) 32.211 17.465 ( 0.499 22.517 -1.447) 22.569 18.723 ( -0.252 -12.071 10.062) 15.717 20.366 ( -33.644 -24.827 -16.749) 45.043 ======================= Grid point 1532 (570/891) ======================= q-point: ( 0.67 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.386 ( 8.433 11.605 1.563) 14.430 10.029 ( 22.908 17.138 -1.409) 28.644 11.234 ( 1.469 12.020 6.651) 13.815 11.701 ( 3.073 13.354 -13.529) 19.257 12.323 ( 20.760 18.204 -3.168) 27.792 12.931 ( -5.453 -4.507 -4.392) 8.327 14.328 ( 15.095 6.070 10.340) 19.277 15.159 ( 36.349 -19.890 4.354) 41.663 16.119 ( -13.726 38.652 1.978) 41.064 17.634 ( -2.274 15.878 -2.528) 16.238 18.612 ( -0.973 -14.990 8.996) 17.509 19.481 ( -33.440 -27.318 -12.591) 44.979 ======================= Grid point 1533 (571/891) ======================= q-point: ( 0.71 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.592 ( 5.314 6.087 -0.419) 8.091 10.538 ( 16.898 17.605 -3.524) 24.656 11.385 ( 4.598 5.568 9.725) 12.113 11.831 ( 0.422 14.337 -10.127) 17.558 12.682 ( 8.299 1.853 0.308) 8.509 12.792 ( -5.153 3.099 -6.399) 8.781 14.766 ( 16.938 18.278 5.985) 25.629 15.452 ( 4.436 -0.915 2.861) 5.357 16.399 ( 13.257 23.012 0.743) 26.568 17.662 ( -5.007 1.587 -2.717) 5.913 18.449 ( -1.624 -21.079 7.640) 22.479 18.677 ( -25.838 -19.593 -7.345) 33.248 ======================= Grid point 1534 (572/891) ======================= q-point: (-0.24 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.684 ( 0.521 2.873 -0.669) 2.995 10.883 ( 6.184 15.437 -8.494) 18.673 11.589 ( 7.651 6.602 6.890) 12.231 11.919 ( 0.072 8.513 0.691) 8.542 12.652 ( -4.097 -2.957 -5.573) 7.522 12.843 ( 6.441 0.029 0.752) 6.485 15.075 ( -14.629 13.107 -0.560) 19.650 15.434 ( -15.104 39.094 0.033) 41.910 16.922 ( 35.393 -23.306 3.006) 42.484 17.446 ( -9.638 -2.671 -3.184) 10.496 18.197 ( -1.149 -11.451 0.025) 11.508 18.327 ( -4.209 -11.659 3.720) 12.942 ======================= Grid point 1535 (573/891) ======================= q-point: (-0.19 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.657 ( -6.656 1.965 0.815) 6.987 11.014 ( -1.104 11.905 -12.859) 17.559 11.679 ( -4.964 5.407 -6.582) 9.859 12.123 ( 14.673 -1.284 17.254) 22.686 12.469 ( -11.758 -0.292 -4.117) 12.461 13.028 ( 15.171 -0.738 -0.667) 15.203 14.592 ( -49.353 14.989 1.268) 51.594 15.630 ( -11.390 33.780 -5.370) 36.051 16.693 ( -7.716 -39.782 5.007) 40.832 17.733 ( 16.071 14.230 -2.499) 21.611 18.089 ( -4.693 -9.202 0.194) 10.331 18.395 ( 31.035 -12.638 3.375) 33.679 ======================= Grid point 1536 (574/891) ======================= q-point: (-0.14 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.500 ( -15.471 3.011 3.695) 16.189 11.015 ( -7.014 11.865 -16.409) 21.430 11.527 ( -9.124 -7.406 -8.085) 14.264 12.133 ( -5.639 -12.179 0.702) 13.439 12.548 ( 10.596 10.684 10.965) 18.619 13.269 ( 10.869 -4.968 -4.710) 12.846 13.867 ( -47.758 15.978 10.263) 51.395 15.581 ( -11.456 -2.934 -5.393) 12.998 16.234 ( -23.168 1.697 3.896) 23.554 17.871 ( -8.016 -2.342 -2.128) 8.618 18.028 ( 6.380 1.963 4.951) 8.311 19.029 ( 50.363 -9.788 -3.311) 51.412 ======================= Grid point 1549 (575/891) ======================= q-point: ( 0.48 0.48 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.109 ( -0.000 30.402 14.772) 33.801 7.697 ( -0.000 35.545 5.999) 36.048 9.127 ( 0.000 20.614 -3.208) 20.862 11.075 ( 0.000 21.645 -15.818) 26.809 11.644 ( 0.000 0.460 -5.467) 5.486 12.284 ( 0.000 -4.036 -0.223) 4.042 13.444 ( -0.000 22.691 1.646) 22.750 15.380 ( -0.000 11.432 -0.083) 11.432 15.449 ( -0.000 -24.152 13.110) 27.481 16.719 ( -0.000 37.491 1.854) 37.537 18.844 ( -0.000 -10.915 9.784) 14.658 22.309 ( 0.000 -19.441 -22.936) 30.067 ======================= Grid point 1550 (576/891) ======================= q-point: ( 0.52 0.48 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.467 ( 2.585 28.028 12.490) 30.794 8.139 ( 12.210 27.628 4.259) 30.505 9.462 ( 15.338 24.660 -2.707) 29.167 11.215 ( 0.567 13.968 -10.599) 17.543 11.632 ( -0.215 2.912 -7.036) 7.618 12.360 ( 13.846 -5.240 -0.555) 14.815 13.619 ( -0.242 13.498 -0.959) 13.534 15.051 ( -14.607 -19.194 11.597) 26.763 15.657 ( 12.652 3.804 5.462) 14.296 17.133 ( 0.041 42.240 2.400) 42.308 18.795 ( -0.229 -5.530 7.271) 9.138 21.931 ( -11.663 -21.613 -22.142) 33.067 ======================= Grid point 1551 (577/891) ======================= q-point: ( 0.57 0.48 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.820 ( 4.409 23.770 9.739) 26.063 8.652 ( 19.295 19.346 2.458) 27.434 10.112 ( 29.515 30.152 -2.478) 42.265 11.293 ( 1.058 4.884 -4.387) 6.650 11.659 ( 0.350 7.706 -8.599) 11.552 12.609 ( 20.773 -5.970 -2.288) 21.735 13.719 ( 2.192 6.010 -0.149) 6.399 14.679 ( -10.279 -20.417 13.057) 26.325 15.939 ( 11.300 8.358 5.177) 14.978 17.530 ( -3.427 41.787 2.035) 41.977 18.759 ( -1.529 -3.953 5.860) 7.232 21.349 ( -21.744 -23.855 -20.700) 38.345 ======================= Grid point 1552 (578/891) ======================= q-point: ( 0.62 0.48 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.138 ( 5.404 17.798 6.624) 19.745 9.191 ( 23.682 14.646 2.035) 27.919 10.968 ( 30.406 33.523 -1.965) 45.301 11.350 ( 6.790 0.787 -3.371) 7.621 11.737 ( 2.618 8.987 -6.608) 11.458 12.860 ( 14.447 -5.723 -4.394) 16.149 13.865 ( 11.427 1.677 3.633) 12.107 14.417 ( -0.523 -21.306 12.802) 24.862 16.236 ( 8.864 13.967 4.120) 17.047 17.833 ( -8.210 38.335 0.854) 39.214 18.691 ( -3.430 -5.549 5.114) 8.289 20.598 ( -29.363 -26.370 -18.493) 43.583 ======================= Grid point 1553 (579/891) ======================= q-point: ( 0.67 0.48 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.390 ( 5.416 11.144 3.657) 12.919 9.755 ( 25.765 12.588 2.857) 28.817 11.325 ( 0.358 5.077 5.585) 7.556 11.757 ( 6.362 22.975 -16.274) 28.864 12.032 ( 30.175 13.862 -0.004) 33.207 12.922 ( 1.238 -4.289 -4.090) 6.055 14.157 ( 15.017 2.224 11.166) 18.845 14.393 ( 23.723 -24.757 6.875) 34.971 16.539 ( 4.876 21.411 2.899) 22.150 17.992 ( -14.059 31.569 -1.069) 34.574 18.562 ( -5.313 -9.236 4.800) 11.687 19.733 ( -32.926 -28.481 -15.297) 46.145 ======================= Grid point 1554 (580/891) ======================= q-point: ( 0.71 0.48 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.566 ( 4.712 5.562 1.479) 7.438 10.316 ( 24.504 11.089 3.304) 27.099 11.399 ( 2.142 2.929 6.913) 7.807 11.942 ( 1.638 17.640 -11.679) 21.219 12.552 ( 10.441 4.193 -0.850) 11.284 12.877 ( -1.351 5.005 -5.170) 7.321 14.552 ( 27.553 5.045 14.671) 31.621 14.747 ( 37.599 -21.633 0.529) 43.381 16.834 ( -1.894 30.863 2.121) 30.994 17.910 ( -22.685 11.161 -4.076) 25.609 18.366 ( -7.055 -11.071 4.020) 13.729 18.894 ( -26.696 -23.250 -9.743) 36.717 ======================= Grid point 1555 (581/891) ======================= q-point: ( 0.76 0.48 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.675 ( 3.353 2.237 0.280) 4.041 10.785 ( 16.937 8.202 1.151) 18.854 11.525 ( 7.043 2.849 9.059) 11.823 12.071 ( -3.384 15.694 -9.966) 18.897 12.572 ( 2.971 -7.364 2.140) 8.225 12.887 ( -5.695 5.726 -3.800) 8.925 15.079 ( 18.531 -2.424 -0.763) 18.705 15.340 ( 48.758 -0.442 8.527) 49.500 16.959 ( -33.194 26.138 -0.360) 42.251 17.460 ( -4.954 -15.977 -4.202) 17.248 18.170 ( -7.764 -4.936 2.272) 9.477 18.399 ( -13.278 -8.484 -3.139) 16.067 ======================= Grid point 1556 (582/891) ======================= q-point: (-0.19 0.48 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.726 ( 0.508 1.231 0.159) 1.341 11.022 ( 4.893 3.726 -2.725) 6.727 11.748 ( 9.432 3.892 5.799) 11.736 12.026 ( -7.727 0.703 -1.519) 7.906 12.641 ( 3.278 4.520 -2.022) 5.938 12.813 ( -0.274 -0.003 0.193) 0.335 15.189 ( -3.829 -3.195 -0.514) 5.013 16.149 ( 13.357 -40.573 5.212) 43.032 16.230 ( -16.904 32.911 -4.366) 37.255 17.635 ( 11.852 17.293 -1.025) 20.990 18.021 ( -2.807 -8.055 1.917) 8.743 18.151 ( -7.071 -6.550 -1.107) 9.702 ======================= Grid point 1557 (583/891) ======================= q-point: (-0.14 0.48 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.710 ( -4.900 2.067 1.389) 5.496 11.061 ( 0.267 0.954 -6.173) 6.252 11.711 ( -17.095 -0.734 -7.660) 18.747 11.979 ( 8.194 -12.763 6.744) 16.599 12.684 ( -5.038 15.415 4.179) 16.747 12.982 ( 15.837 -1.892 -2.923) 16.216 14.780 ( -42.764 0.181 7.383) 43.397 15.447 ( -4.927 -42.866 -5.812) 43.538 16.754 ( -5.595 38.004 3.328) 38.557 17.900 ( -1.248 -10.408 -4.502) 11.409 17.992 ( 4.091 9.264 1.648) 10.260 18.194 ( 31.180 -4.202 0.446) 31.465 ======================= Grid point 1571 (584/891) ======================= q-point: ( 0.52 0.52 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.755 ( -0.000 25.652 12.449) 28.513 8.295 ( -0.000 22.133 2.634) 22.290 9.550 ( -0.000 23.919 -1.809) 23.987 11.297 ( 0.000 7.773 -5.495) 9.519 11.659 ( 0.000 8.314 -9.777) 12.834 12.180 ( -0.000 -6.638 0.616) 6.666 13.709 ( 0.000 6.431 -3.572) 7.356 15.008 ( -0.000 -30.750 21.757) 37.669 15.582 ( -0.000 9.272 -0.727) 9.301 17.602 ( -0.000 48.040 3.284) 48.152 18.791 ( -0.000 -0.531 4.073) 4.108 21.733 ( 0.000 -23.822 -21.927) 32.378 ======================= Grid point 1572 (585/891) ======================= q-point: ( 0.57 0.52 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.036 ( 0.876 21.337 11.299) 24.160 8.577 ( 10.399 15.629 1.561) 18.837 9.944 ( 18.824 24.662 -1.587) 31.065 11.327 ( -0.761 2.430 -0.303) 2.565 11.726 ( -0.365 12.613 -11.269) 16.917 12.234 ( 13.633 -7.377 0.375) 15.506 13.735 ( 0.087 1.994 -3.342) 3.893 14.688 ( -9.489 -26.894 20.766) 35.278 15.784 ( 12.496 5.780 1.399) 13.839 18.057 ( -3.740 47.573 3.189) 47.826 18.792 ( -1.817 0.885 2.295) 3.058 21.319 ( -11.434 -25.580 -21.172) 35.119 ======================= Grid point 1573 (586/891) ======================= q-point: ( 0.62 0.52 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.269 ( 1.446 15.043 8.450) 17.314 8.964 ( 18.609 11.429 2.744) 22.010 10.637 ( 34.501 23.533 -2.646) 41.847 11.336 ( -0.430 1.406 2.930) 3.278 11.810 ( -0.709 13.588 -10.298) 17.064 12.466 ( 20.637 -7.113 -0.621) 21.837 13.753 ( 2.878 -0.318 -1.365) 3.201 14.352 ( -8.226 -23.276 19.018) 31.163 16.093 ( 16.535 4.926 2.452) 17.426 18.412 ( -8.899 44.087 2.530) 45.047 18.749 ( -4.616 -0.299 1.315) 4.809 20.708 ( -21.765 -26.942 -19.796) 39.893 ======================= Grid point 1574 (587/891) ======================= q-point: ( 0.67 0.52 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.436 ( 2.279 7.967 5.302) 9.837 9.445 ( 24.190 9.093 5.102) 26.341 11.359 ( 2.533 1.291 2.388) 3.713 11.516 ( 40.057 21.226 -1.832) 45.370 11.904 ( -0.108 14.338 -9.832) 17.386 12.726 ( 15.441 -5.436 -1.166) 16.412 13.852 ( 12.110 -4.831 0.123) 13.039 14.107 ( -1.589 -18.876 18.744) 26.649 16.452 ( 18.142 6.058 2.386) 19.275 18.598 ( -12.486 16.144 2.588) 20.573 18.660 ( -10.379 20.042 -0.172) 22.570 19.931 ( -29.964 -27.848 -17.770) 44.600 ======================= Grid point 1575 (588/891) ======================= q-point: ( 0.71 0.52 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.544 ( 3.302 1.898 2.735) 4.689 9.982 ( 26.523 7.054 7.374) 28.419 11.416 ( 1.334 2.320 6.047) 6.613 12.020 ( 3.048 11.463 -7.339) 13.948 12.344 ( 28.188 18.690 -8.853) 34.961 12.854 ( 6.389 -1.014 -0.964) 6.540 13.920 ( 16.881 -27.671 9.018) 33.645 14.272 ( 22.834 2.275 10.082) 25.065 16.836 ( 18.399 6.699 1.949) 19.677 18.384 ( -16.032 -5.854 1.710) 17.153 18.703 ( -21.340 34.652 -1.137) 40.711 19.062 ( -30.698 -28.158 -14.291) 44.039 ======================= Grid point 1576 (589/891) ======================= q-point: (-0.24 -0.48 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.613 ( 4.440 -2.054 0.704) 4.943 10.507 ( 24.188 4.611 8.840) 26.162 11.493 ( 2.628 1.782 7.686) 8.316 12.177 ( 4.816 12.567 -9.714) 16.598 12.548 ( -5.847 -1.467 -0.047) 6.028 13.016 ( 1.468 10.799 -4.970) 11.978 14.177 ( 44.418 -31.759 3.961) 54.747 14.836 ( 32.249 9.231 8.747) 34.666 17.180 ( 15.647 -4.799 0.554) 16.376 17.843 ( -38.887 -3.690 -2.947) 39.173 18.384 ( -17.736 -8.208 -5.598) 20.329 18.636 ( -20.134 18.830 -1.366) 27.601 ======================= Grid point 1577 (590/891) ======================= q-point: (-0.19 -0.48 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.666 ( 5.161 -3.645 -0.785) 6.367 10.906 ( 13.892 2.175 8.406) 16.382 11.600 ( 7.149 -2.212 8.879) 11.612 12.270 ( -13.664 8.861 -10.791) 19.536 12.439 ( 10.464 -5.497 0.965) 11.859 13.025 ( -9.132 11.062 -0.120) 14.345 14.617 ( 39.530 -32.935 -3.927) 51.602 15.561 ( 34.417 6.642 8.025) 35.959 16.750 ( -29.293 -27.045 -5.983) 40.315 17.711 ( 3.157 23.139 1.969) 23.436 18.088 ( -8.549 -8.111 0.230) 11.787 18.425 ( -24.923 17.982 -2.525) 30.837 ======================= Grid point 1593 (591/891) ======================= q-point: ( 0.57 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.265 ( -0.000 16.982 13.131) 21.466 8.618 ( -0.000 10.888 -0.491) 10.899 9.997 ( -0.000 21.020 -1.479) 21.072 11.354 ( -0.000 1.076 2.743) 2.947 11.831 ( 0.000 15.380 -11.921) 19.459 12.041 ( -0.000 -7.726 1.672) 7.905 13.735 ( 0.000 0.623 -2.984) 3.048 14.566 ( -0.000 -29.777 23.977) 38.231 15.730 ( 0.000 6.200 -1.000) 6.280 18.564 ( -0.000 45.550 3.389) 45.676 18.832 ( -0.000 2.267 0.246) 2.280 21.092 ( 0.000 -25.757 -21.133) 33.317 ======================= Grid point 1594 (592/891) ======================= q-point: ( 0.62 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.429 ( -1.529 10.109 10.833) 14.896 8.808 ( 11.623 7.652 1.503) 13.997 10.346 ( 19.966 15.947 -2.351) 25.661 11.374 ( -0.505 1.916 5.213) 5.577 11.939 ( -1.104 16.172 -11.113) 19.653 12.097 ( 13.493 -6.291 2.049) 15.028 13.733 ( -0.150 0.935 -1.118) 1.465 14.304 ( -5.833 -26.613 21.736) 34.853 15.882 ( 11.608 3.452 0.040) 12.110 18.823 ( -3.128 1.248 -0.758) 3.452 18.952 ( -4.469 37.817 2.827) 38.185 20.680 ( -11.961 -22.564 -20.373) 32.670 ======================= Grid point 1595 (593/891) ======================= q-point: ( 0.67 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.494 ( -0.745 2.138 6.303) 6.698 9.159 ( 19.990 5.658 5.967) 21.616 10.937 ( 35.110 8.148 -4.431) 36.315 11.425 ( 1.128 4.259 8.349) 9.441 12.035 ( -1.350 15.486 -10.966) 19.024 12.359 ( 19.948 -2.171 2.237) 20.190 13.744 ( 0.440 0.055 1.014) 1.107 14.034 ( -4.552 -21.401 18.645) 28.746 16.165 ( 18.226 1.080 1.084) 18.290 18.736 ( -6.788 -1.123 -1.389) 7.019 19.148 ( -7.767 19.284 1.245) 20.827 20.136 ( -24.574 -8.794 -17.991) 31.699 ======================= Grid point 1596 (594/891) ======================= q-point: (-0.29 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.500 ( 1.453 -4.771 3.052) 5.847 9.620 ( 25.310 3.595 9.387) 27.233 11.413 ( 7.977 1.581 2.762) 8.588 11.753 ( 34.741 3.740 4.191) 35.192 12.143 ( 3.449 14.858 -14.318) 20.920 12.672 ( 13.303 1.621 1.943) 13.541 13.670 ( -3.343 -13.730 7.444) 15.972 13.998 ( 11.750 -3.869 11.601) 16.959 16.509 ( 21.179 -1.661 1.348) 21.287 18.559 ( -11.028 -3.536 -1.430) 11.669 18.973 ( -12.073 -22.688 -6.318) 26.466 19.673 ( -33.381 30.286 -9.007) 45.964 ======================= Grid point 1597 (595/891) ======================= q-point: (-0.24 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.482 ( 4.408 -9.661 0.354) 10.624 10.134 ( 27.214 1.538 12.407) 29.948 11.513 ( 1.379 2.440 7.778) 8.268 12.149 ( 5.735 4.811 1.057) 7.560 12.564 ( 27.449 11.002 -20.626) 36.054 12.801 ( 10.173 -7.229 3.674) 13.010 13.526 ( 1.133 -14.529 9.334) 17.306 14.389 ( 29.155 3.164 8.834) 30.628 16.808 ( 17.741 -10.943 0.538) 20.852 18.233 ( -20.920 -11.644 -3.079) 24.139 18.445 ( -11.804 -20.008 -7.716) 24.478 19.460 ( -33.526 39.643 -2.488) 51.978 ======================= Grid point 1598 (596/891) ======================= q-point: (-0.19 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.473 ( 7.694 -12.008 -1.976) 14.398 10.632 ( 24.177 -0.183 15.006) 28.456 11.564 ( -0.238 -0.542 8.958) 8.978 12.258 ( 4.993 -3.747 2.612) 6.767 12.547 ( -13.214 8.045 -12.943) 20.171 13.220 ( 12.422 11.174 -5.921) 17.726 13.544 ( 30.524 -32.613 4.352) 44.881 15.045 ( 37.081 6.326 6.741) 38.216 16.704 ( -7.322 -33.899 -2.865) 34.799 17.870 ( -5.088 -0.245 -1.854) 5.421 18.145 ( -8.850 -6.402 -3.649) 11.516 19.249 ( -34.985 37.061 -0.154) 50.966 ======================= Grid point 1615 (597/891) ======================= q-point: ( 0.62 0.62 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.571 ( -0.000 3.874 14.787) 15.286 8.745 ( 0.000 3.399 -2.134) 4.013 10.282 ( 0.000 7.855 -2.880) 8.366 11.426 ( -0.000 3.459 7.207) 7.994 11.936 ( -0.000 -3.453 3.155) 4.677 12.084 ( 0.000 18.187 -10.084) 20.796 13.755 ( -0.000 2.945 0.849) 3.065 14.160 ( -0.000 -27.084 21.230) 34.413 15.807 ( 0.000 2.337 -1.066) 2.569 18.853 ( 0.000 0.101 -2.247) 2.250 19.279 ( -0.000 16.593 1.347) 16.647 20.566 ( 0.000 -5.547 -18.714) 19.519 ======================= Grid point 1616 (598/891) ======================= q-point: (-0.33 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.548 ( -4.491 -4.532 7.920) 10.170 8.915 ( 14.829 0.847 4.648) 15.563 10.477 ( 20.020 -1.337 -3.845) 20.429 11.495 ( -0.015 5.267 9.642) 10.986 12.032 ( 9.973 0.618 1.550) 10.112 12.242 ( 1.046 20.087 -6.940) 21.278 13.781 ( -1.673 1.081 3.920) 4.397 13.947 ( -2.715 -20.939 16.880) 27.032 15.913 ( 10.968 -0.340 -0.471) 10.984 18.804 ( -3.599 -2.124 -3.230) 5.282 19.242 ( -3.912 -16.586 -3.854) 17.472 20.489 ( -12.727 23.047 -12.820) 29.283 ======================= Grid point 1617 (599/891) ======================= q-point: (-0.29 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.427 ( -1.839 -12.237 3.577) 12.881 9.255 ( 22.535 -1.580 8.879) 24.273 10.885 ( 34.815 -9.796 -4.690) 36.470 11.602 ( 2.249 6.084 11.625) 13.312 12.192 ( 3.364 6.632 -2.616) 7.883 12.525 ( 11.351 18.408 -2.432) 21.762 13.643 ( -4.632 -17.526 11.265) 21.343 13.903 ( 1.768 1.928 7.189) 7.651 16.145 ( 17.773 -3.789 0.242) 18.174 18.669 ( -6.960 -4.293 -4.006) 9.106 18.844 ( -9.262 -34.014 -7.635) 36.070 20.465 ( -22.437 37.519 -7.275) 44.317 ======================= Grid point 1618 (600/891) ======================= q-point: (-0.24 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.285 ( 2.318 -18.105 0.316) 18.255 9.697 ( 27.841 -3.752 12.212) 30.632 11.350 ( 29.218 -11.971 -1.249) 31.600 11.814 ( 18.100 0.440 8.202) 19.877 12.268 ( -0.964 5.796 0.434) 5.891 12.829 ( 1.942 13.877 -8.030) 16.150 13.495 ( 0.950 -9.215 10.770) 14.206 14.059 ( 13.116 2.952 6.687) 15.015 16.395 ( 17.743 -10.759 0.026) 20.751 18.282 ( -12.363 -33.640 -7.113) 36.539 18.467 ( -9.217 -5.163 -4.690) 11.558 20.385 ( -29.404 39.508 -4.080) 49.418 ======================= Grid point 1619 (601/891) ======================= q-point: (-0.19 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.169 ( 7.516 -21.180 -2.544) 22.617 10.190 ( 29.740 -5.969 15.121) 33.893 11.563 ( 6.929 -5.729 7.504) 11.711 12.234 ( 1.261 -1.757 11.788) 11.984 12.322 ( 37.940 -19.459 -6.867) 43.189 12.793 ( -10.555 11.511 -15.335) 21.888 13.520 ( -2.589 4.221 7.827) 9.261 14.508 ( 32.281 3.714 5.425) 32.944 16.416 ( 3.269 -27.414 -1.901) 27.673 17.835 ( -4.118 -19.261 -2.836) 19.899 18.246 ( -8.966 -3.222 -5.341) 10.923 20.218 ( -33.826 38.555 -1.328) 51.308 ======================= Grid point 1637 (602/891) ======================= q-point: (-0.33 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.586 ( -0.000 -12.887 14.483) 19.386 8.733 ( 0.000 -3.000 -2.396) 3.839 10.234 ( 0.000 -9.947 -3.919) 10.691 11.586 ( -0.000 5.842 10.987) 12.443 11.974 ( -0.000 4.517 3.920) 5.980 12.440 ( 0.000 24.588 -5.637) 25.225 13.743 ( -0.000 -21.078 13.649) 25.111 13.908 ( -0.000 3.153 6.360) 7.099 15.804 ( 0.000 -2.006 -1.157) 2.316 18.786 ( 0.000 -5.602 -5.358) 7.752 19.002 ( 0.000 -32.356 -6.192) 32.943 20.860 ( 0.000 35.661 -9.119) 36.809 ======================= Grid point 1638 (603/891) ======================= q-point: (-0.29 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.362 ( -6.832 -19.282 6.482) 21.459 8.881 ( 18.443 -7.949 5.108) 20.722 10.261 ( 19.780 -16.509 -4.091) 26.087 11.682 ( 0.385 5.412 11.393) 12.619 12.126 ( 8.600 6.458 3.616) 11.346 12.681 ( -0.498 27.962 -0.924) 27.982 13.540 ( -2.373 -22.250 10.609) 24.764 13.975 ( -0.946 6.567 5.342) 8.518 15.859 ( 10.192 -4.757 -0.881) 11.282 18.549 ( -3.629 -36.253 -9.598) 37.677 18.712 ( -4.145 -9.516 -3.339) 10.903 21.103 ( -11.298 38.459 -7.189) 40.723 ======================= Grid point 1639 (604/891) ======================= q-point: (-0.24 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.071 ( -2.477 -25.660 1.929) 25.852 9.198 ( 26.476 -10.735 9.520) 30.114 10.532 ( 34.713 -21.676 -4.237) 41.143 11.778 ( 1.522 3.831 9.272) 10.147 12.341 ( 4.472 5.529 8.443) 11.039 12.967 ( 1.053 28.039 -3.619) 28.291 13.345 ( 2.112 -18.280 9.023) 20.494 14.037 ( -0.016 5.564 3.922) 6.807 16.013 ( 14.773 -9.683 -0.776) 17.681 18.058 ( -6.117 -37.094 -6.601) 38.170 18.527 ( -6.488 -7.604 -5.320) 11.323 21.181 ( -20.934 37.955 -5.601) 43.705 ======================= Grid point 1640 (605/891) ======================= q-point: (-0.19 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.809 ( 4.033 -29.426 -1.665) 29.748 9.619 ( 31.684 -13.083 12.960) 36.647 10.931 ( 39.434 -27.060 -2.902) 47.914 11.882 ( 5.643 1.506 4.135) 7.156 12.366 ( -6.910 -5.618 15.945) 18.263 13.065 ( -9.958 19.498 -15.049) 26.567 13.485 ( 14.450 -0.555 13.248) 19.612 14.164 ( 11.445 4.536 0.990) 12.351 16.074 ( 7.504 -21.156 -1.917) 22.529 17.650 ( -1.517 -25.248 -1.790) 25.356 18.318 ( -7.068 -6.444 -6.675) 11.663 21.111 ( -28.083 36.679 -3.410) 46.321 ======================= Grid point 1659 (606/891) ======================= q-point: (-0.29 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.260 ( -0.000 -29.046 12.171) 31.493 8.588 ( 0.000 -10.952 -1.110) 11.008 9.896 ( 0.000 -20.093 -3.852) 20.459 11.763 ( -0.000 4.133 10.281) 11.081 12.127 ( -0.000 7.562 3.615) 8.382 12.998 ( -0.000 27.970 12.644) 30.695 13.373 ( 0.000 -18.505 1.105) 18.538 14.064 ( -0.000 5.908 4.262) 7.285 15.713 ( 0.000 -6.344 -1.416) 6.501 18.167 ( 0.000 -40.170 -7.583) 40.879 18.643 ( 0.000 -9.345 -5.147) 10.669 21.549 ( 0.000 37.681 -7.267) 38.376 ======================= Grid point 1660 (607/891) ======================= q-point: (-0.24 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.884 ( -7.469 -33.361 6.031) 34.714 8.668 ( 21.330 -17.528 5.184) 28.091 9.839 ( 18.629 -22.128 -4.028) 29.205 11.828 ( 0.075 2.742 7.771) 8.241 12.292 ( 8.055 6.322 4.948) 11.372 13.121 ( 1.272 -23.800 25.324) 34.776 13.348 ( -5.304 30.975 -8.981) 32.684 14.118 ( -1.261 6.392 0.437) 6.530 15.714 ( 8.647 -9.188 -1.467) 12.702 17.741 ( -2.084 -37.012 -4.131) 37.301 18.500 ( -2.972 -9.978 -6.691) 12.376 21.794 ( -10.769 36.109 -6.956) 38.317 ======================= Grid point 1661 (608/891) ======================= q-point: (-0.19 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.462 ( -1.961 -36.902 1.054) 36.969 8.953 ( 31.010 -21.499 10.441) 39.152 10.031 ( 31.461 -25.065 -4.244) 40.448 11.874 ( 0.689 1.753 3.867) 4.302 12.414 ( -1.401 -7.857 10.867) 13.483 13.100 ( 15.275 -8.531 2.291) 17.645 13.471 ( -6.662 11.187 11.161) 17.149 14.178 ( -2.129 14.955 -5.152) 15.960 15.752 ( 8.067 -15.529 -1.971) 17.610 17.399 ( 0.853 -25.972 1.215) 26.014 18.314 ( -4.523 -8.907 -8.288) 12.980 21.854 ( -19.894 34.363 -5.700) 40.113 ======================= Grid point 1681 (609/891) ======================= q-point: (-0.24 -0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.635 ( -0.000 -41.360 9.875) 42.522 8.264 ( 0.000 -23.085 2.082) 23.178 9.459 ( 0.000 -20.274 -4.114) 20.687 11.874 ( -0.000 1.557 5.847) 6.050 12.294 ( -0.000 6.661 3.329) 7.446 12.907 ( -0.000 -28.417 13.887) 31.628 13.630 ( -0.000 6.555 10.293) 12.203 14.261 ( 0.000 26.566 -5.593) 27.149 15.539 ( 0.000 -10.089 -1.800) 10.248 17.401 ( 0.000 -32.863 0.179) 32.864 18.397 ( 0.000 -10.455 -8.347) 13.378 22.206 ( 0.000 34.119 -7.845) 35.009 ======================= Grid point 1682 (610/891) ======================= q-point: (-0.19 -0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.156 ( -6.750 -44.098 5.534) 44.953 8.243 ( 24.082 -30.431 7.369) 39.500 9.393 ( 15.821 -19.365 -4.430) 25.396 11.894 ( -0.178 0.234 2.170) 2.190 12.378 ( -0.310 -4.969 5.723) 7.586 12.747 ( 11.400 -17.931 6.499) 22.220 13.533 ( -2.428 -24.183 11.128) 26.731 14.547 ( -8.089 41.938 -3.516) 42.855 15.491 ( 6.293 -11.372 -1.891) 13.134 17.138 ( 2.014 -23.658 6.015) 24.493 18.252 ( -2.122 -8.401 -10.199) 13.383 22.415 ( -10.225 32.111 -7.787) 34.588 ======================= Grid point 1703 (611/891) ======================= q-point: (-0.19 -0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.797 ( -0.000 -49.712 8.575) 50.446 7.699 ( -0.000 -36.973 6.176) 37.485 9.077 ( 0.000 -15.545 -4.493) 16.182 11.882 ( 0.000 -4.153 -2.553) 4.875 12.399 ( -0.000 -29.065 6.746) 29.838 12.428 ( -0.000 4.709 3.266) 5.730 13.234 ( -0.000 -43.874 9.098) 44.807 15.106 ( -0.000 49.117 1.441) 49.139 15.300 ( 0.000 -12.659 -2.065) 12.827 16.933 ( -0.000 -18.533 11.898) 22.023 18.166 ( 0.000 -4.401 -12.185) 12.955 22.778 ( 0.000 29.979 -9.167) 31.350 ======================= Grid point 1858 (612/891) ======================= q-point: ( 0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 891 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -0.000 0.000 39.504) 39.504 1.734 ( -0.000 0.000 39.504) 39.504 3.425 ( -0.000 0.000 79.039) 79.039 7.618 ( 0.000 -0.000 -7.542) 7.542 7.618 ( 0.000 -0.000 -7.542) 7.542 12.467 ( 0.000 -0.000 -1.446) 1.446 12.467 ( 0.000 -0.000 -1.446) 1.446 14.129 ( -0.000 0.000 1.465) 1.465 14.129 ( -0.000 0.000 1.465) 1.465 17.306 ( 0.000 -0.000 -43.103) 43.103 20.192 ( -0.000 0.000 24.342) 24.342 24.835 ( 0.000 -0.000 -1.216) 1.216 ======================= Grid point 1859 (613/891) ======================= q-point: ( 0.24 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 53.315 30.781 28.355) 67.779 2.531 ( 38.833 22.420 31.113) 54.578 3.806 ( 13.293 7.675 69.724) 71.393 7.624 ( 3.021 1.744 -8.393) 9.089 7.886 ( 23.544 13.593 -12.148) 29.777 12.461 ( 0.201 0.116 -1.665) 1.681 12.579 ( 8.069 4.659 -0.055) 9.318 13.845 ( -13.247 -7.648 13.651) 20.502 14.192 ( 3.697 2.134 1.872) 4.661 17.399 ( 13.200 7.621 -48.716) 51.045 20.517 ( 17.256 9.962 11.915) 23.216 24.604 ( -19.136 -11.048 -1.032) 22.120 ======================= Grid point 1860 (614/891) ======================= q-point: ( 0.29 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.590 ( 45.286 26.146 22.652) 56.987 3.609 ( 31.759 18.336 40.389) 54.553 4.749 ( 57.914 33.437 33.510) 74.800 7.692 ( 5.443 3.142 -9.037) 11.007 8.504 ( 33.748 19.484 -13.845) 41.355 12.467 ( 0.892 0.515 -2.153) 2.386 12.724 ( 2.268 1.309 6.507) 7.014 13.888 ( 13.193 7.617 12.264) 19.557 14.304 ( 5.473 3.160 2.303) 6.726 17.434 ( 3.996 2.307 -43.976) 44.217 20.851 ( 7.532 4.349 6.408) 10.803 24.028 ( -29.216 -16.868 -5.355) 34.158 ======================= Grid point 1861 (615/891) ======================= q-point: ( 0.33 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.346 ( 25.899 14.953 40.110) 50.032 4.701 ( 46.520 26.858 16.300) 56.135 6.371 ( 72.316 41.752 12.835) 84.484 7.803 ( 6.902 3.985 -9.245) 12.206 9.299 ( 39.951 23.066 -11.461) 47.534 12.486 ( 1.478 0.853 -2.692) 3.187 12.741 ( -2.407 -1.389 10.373) 10.739 14.402 ( 26.463 15.278 4.844) 30.938 14.451 ( 6.769 3.908 2.581) 8.232 17.322 ( -1.327 -0.766 -35.376) 35.410 20.873 ( -8.899 -5.138 15.801) 18.848 23.303 ( -30.415 -17.560 -16.361) 38.744 ======================= Grid point 1862 (616/891) ======================= q-point: ( 0.38 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.122 ( 32.354 18.680 29.412) 47.548 5.792 ( 45.383 26.202 11.366) 53.622 7.937 ( 7.488 4.323 -8.718) 12.279 7.976 ( 64.987 37.520 4.569) 75.179 10.232 ( 45.118 26.049 -8.024) 52.712 12.511 ( 1.490 0.860 -3.089) 3.536 12.702 ( -3.775 -2.180 8.875) 9.887 14.626 ( 7.885 4.552 2.623) 9.475 15.014 ( 25.495 14.720 -1.822) 29.496 17.171 ( -2.196 -1.268 -25.473) 25.599 20.563 ( -24.796 -14.316 30.048) 41.505 22.589 ( -24.964 -14.413 -28.650) 40.642 ======================= Grid point 1863 (617/891) ======================= q-point: ( 0.43 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.996 ( 37.165 21.457 18.887) 46.886 6.824 ( 42.675 24.639 7.347) 49.822 8.080 ( 7.395 4.270 -7.153) 11.140 9.293 ( 50.164 28.962 -1.549) 57.945 11.269 ( 47.295 27.306 -6.405) 54.986 12.526 ( 0.597 0.345 -3.248) 3.321 12.633 ( -4.161 -2.402 5.407) 7.233 14.826 ( 8.948 5.166 2.451) 10.619 15.499 ( 18.243 10.532 -5.937) 21.886 17.082 ( 0.973 0.562 -16.455) 16.493 19.990 ( -34.310 -19.809 36.709) 54.010 21.996 ( -18.566 -10.719 -31.601) 38.187 ======================= Grid point 1864 (618/891) ======================= q-point: ( 0.48 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.910 ( 38.716 22.353 9.738) 45.753 7.767 ( 38.633 22.305 3.201) 44.724 8.223 ( 6.881 3.973 -3.648) 8.743 10.242 ( 35.076 20.251 -5.178) 40.832 12.164 ( 24.849 14.347 -16.652) 33.176 12.510 ( -1.141 -0.659 -3.200) 3.461 12.638 ( 10.234 5.908 9.083) 14.904 15.046 ( 9.715 5.609 2.150) 11.422 15.847 ( 15.577 8.994 -1.061) 18.018 17.084 ( 2.360 1.363 -13.925) 14.189 19.332 ( -32.163 -18.569 33.024) 49.698 21.516 ( -16.110 -9.301 -23.856) 30.252 ======================= Grid point 1865 (619/891) ======================= q-point: ( 0.52 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.794 ( 37.086 21.411 1.572) 42.852 8.345 ( 7.308 4.220 -6.802) 10.839 8.610 ( 32.140 18.556 7.273) 37.818 10.874 ( 22.834 13.183 -5.868) 27.012 12.195 ( -5.088 -2.937 -18.155) 19.082 12.450 ( -3.263 -1.884 -3.110) 4.886 13.162 ( 21.796 12.584 3.085) 25.356 15.274 ( 9.669 5.582 1.824) 11.313 16.267 ( 18.709 10.802 7.268) 22.794 17.048 ( 0.134 0.077 -13.343) 13.344 18.839 ( -18.409 -10.629 23.619) 31.776 21.084 ( -17.017 -9.825 -12.705) 23.399 ======================= Grid point 1866 (620/891) ======================= q-point: ( 0.57 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.468 ( 5.173 2.987 -1.698) 6.210 8.576 ( 32.004 18.477 -6.406) 37.506 9.302 ( 26.595 15.355 4.205) 30.996 11.253 ( 12.179 7.032 -3.770) 14.560 11.998 ( -5.423 -3.131 -17.150) 18.258 12.344 ( -5.019 -2.898 -3.219) 6.630 13.521 ( 10.651 6.149 -0.333) 12.303 15.487 ( 8.384 4.841 1.555) 9.805 16.324 ( -15.827 -9.138 -9.377) 20.541 17.393 ( 32.913 19.002 9.214) 39.106 18.661 ( -3.779 -2.182 12.767) 13.492 20.643 ( -19.882 -11.479 -2.964) 23.148 ======================= Grid point 1867 (621/891) ======================= q-point: ( 0.62 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.568 ( 3.623 2.092 1.043) 4.312 9.159 ( 21.261 12.275 -14.881) 28.708 9.826 ( 18.013 10.400 3.950) 21.172 11.420 ( 4.404 2.542 1.966) 5.452 11.896 ( 1.480 0.854 -13.987) 14.091 12.212 ( -5.207 -3.006 -3.695) 7.057 13.707 ( 7.350 4.244 -2.523) 8.854 15.655 ( 5.797 3.347 1.392) 6.837 15.774 ( -25.551 -14.752 -17.180) 34.141 18.267 ( 32.764 18.917 19.061) 42.363 18.720 ( 8.803 5.083 3.904) 10.889 20.155 ( -23.269 -13.434 4.075) 27.176 ======================= Grid point 1868 (622/891) ======================= q-point: ( 0.67 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.635 ( 1.610 0.930 2.632) 3.222 9.376 ( 2.316 1.337 -20.978) 21.148 10.118 ( 5.910 3.412 4.230) 8.029 11.603 ( 12.833 7.409 8.483) 17.075 11.925 ( 3.376 1.949 -10.372) 11.080 12.108 ( -2.156 -1.245 -4.278) 4.949 13.868 ( 8.082 4.666 -4.268) 10.262 15.116 ( -25.930 -14.970 -22.337) 37.355 15.752 ( 2.218 1.281 1.357) 2.899 18.594 ( -0.771 -0.445 12.674) 12.705 19.272 ( 13.889 8.019 1.669) 16.124 19.728 ( -1.275 -0.736 15.438) 15.508 ======================= Grid point 1869 (623/891) ======================= q-point: (-0.29 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.649 ( -1.458 -0.842 2.772) 3.243 9.137 ( -16.103 -9.297 -20.255) 27.496 10.106 ( -8.015 -4.627 3.990) 10.078 11.942 ( 2.671 1.542 -10.772) 11.205 12.097 ( 24.981 14.423 14.696) 32.374 12.105 ( 3.127 1.805 -4.188) 5.530 14.034 ( 6.919 3.995 -3.913) 8.896 14.471 ( -22.810 -13.170 -28.415) 38.745 15.762 ( -1.809 -1.045 1.448) 2.542 18.503 ( -12.732 -7.351 12.428) 19.250 18.899 ( -22.811 -13.170 0.329) 26.342 20.446 ( 37.127 21.435 16.900) 46.081 ======================= Grid point 1870 (624/891) ======================= q-point: (-0.24 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.558 ( -28.715 -16.579 -16.813) 37.176 8.567 ( -7.083 -4.089 0.968) 8.236 9.818 ( -17.321 -10.000 3.683) 20.337 11.938 ( 0.236 0.136 -6.377) 6.383 12.202 ( 5.969 3.446 -3.566) 7.760 12.793 ( 27.089 15.640 17.887) 36.033 13.890 ( -13.551 -7.823 -30.016) 33.850 14.151 ( 0.777 0.449 -8.874) 8.919 15.681 ( -5.677 -3.278 1.637) 6.757 18.019 ( -28.821 -16.640 7.148) 34.039 18.546 ( -11.481 -6.628 3.937) 13.829 21.318 ( 34.515 19.927 15.209) 42.658 ======================= Grid point 1871 (625/891) ======================= q-point: (-0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.752 ( -37.442 -21.617 -13.067) 45.166 8.289 ( -18.231 -10.526 -2.893) 21.249 9.415 ( -17.835 -10.297 4.477) 21.075 11.918 ( -0.602 -0.347 -2.843) 2.927 12.327 ( 5.688 3.284 -3.214) 7.312 12.945 ( -18.850 -10.883 4.544) 22.236 13.836 ( -3.379 -1.951 -27.650) 27.924 14.209 ( 24.973 14.418 3.696) 29.072 15.521 ( -8.850 -5.110 1.868) 10.389 17.412 ( -24.037 -13.878 -1.884) 27.819 18.313 ( -10.681 -6.167 8.158) 14.788 22.102 ( 30.409 17.556 12.685) 37.334 ======================= Grid point 1880 (626/891) ======================= q-point: ( 0.24 0.24 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -0.000 20.716 32.606) 38.630 2.972 ( -0.000 58.981 35.610) 68.897 4.105 ( -0.000 25.099 63.107) 67.915 7.615 ( 0.000 4.793 -7.700) 9.070 7.818 ( 0.000 24.060 -12.718) 27.215 12.462 ( 0.000 0.162 -1.807) 1.814 12.604 ( -0.000 15.230 -0.920) 15.257 13.814 ( -0.000 -28.204 14.199) 31.576 14.144 ( -0.000 2.157 1.636) 2.707 17.250 ( 0.000 15.820 -47.427) 49.996 20.568 ( -0.000 18.218 12.753) 22.239 24.641 ( 0.000 -16.270 -2.114) 16.406 ======================= Grid point 1881 (627/891) ======================= q-point: ( 0.29 0.24 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.887 ( 51.289 24.593 22.571) 61.195 3.693 ( 12.204 29.879 47.142) 57.132 4.796 ( 15.673 60.658 35.938) 72.226 7.664 ( 1.906 8.082 -8.190) 11.663 8.217 ( 19.884 27.563 -14.295) 36.871 12.461 ( 0.413 0.598 -1.704) 1.853 12.798 ( 0.544 16.767 1.907) 16.884 13.659 ( 9.383 -18.655 15.211) 25.834 14.253 ( 6.959 4.964 2.005) 8.780 17.258 ( 3.370 7.386 -44.648) 45.381 20.819 ( 5.569 9.760 7.863) 13.715 24.279 ( -19.696 -18.632 -4.660) 27.510 ======================= Grid point 1882 (628/891) ======================= q-point: ( 0.33 0.24 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.112 ( 50.640 25.716 16.600) 59.172 4.303 ( 20.161 15.266 46.180) 52.651 6.023 ( 38.113 70.174 14.916) 81.237 7.786 ( 3.348 13.426 -7.559) 15.767 8.886 ( 31.616 27.627 -13.183) 44.007 12.475 ( 0.617 1.184 -1.214) 1.805 12.888 ( -6.404 9.788 7.748) 14.030 13.895 ( 26.603 -10.275 6.699) 29.295 14.492 ( 10.026 13.891 2.183) 17.270 17.194 ( 1.069 0.680 -37.597) 37.618 20.930 ( -0.234 -4.352 11.536) 12.332 23.633 ( -30.897 -16.925 -11.394) 37.025 ======================= Grid point 1883 (629/891) ======================= q-point: ( 0.38 0.24 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.910 ( 24.954 16.849 34.629) 45.888 5.332 ( 47.375 29.970 12.497) 57.435 7.363 ( 42.253 40.888 -0.581) 58.800 8.049 ( 8.563 34.215 -0.694) 35.277 9.729 ( 40.280 27.316 -10.332) 49.753 12.489 ( 0.365 0.198 -0.550) 0.689 12.872 ( -8.251 8.384 7.324) 13.857 14.265 ( 25.784 -11.414 2.170) 28.281 14.884 ( 14.704 20.402 -0.544) 25.155 17.080 ( 0.094 -1.920 -28.270) 28.335 20.791 ( -10.631 -17.208 23.221) 30.796 22.877 ( -32.861 -12.150 -22.320) 41.541 ======================= Grid point 1884 (630/891) ======================= q-point: ( 0.43 0.24 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.671 ( 31.855 19.072 23.837) 44.121 6.433 ( 41.388 33.416 7.388) 53.704 7.947 ( 13.127 8.375 -10.136) 18.579 8.961 ( 33.357 52.171 3.726) 62.035 10.713 ( 46.495 27.647 -7.627) 54.628 12.481 ( 0.037 -2.639 0.189) 2.646 12.832 ( -9.462 10.667 3.436) 14.667 14.565 ( 20.775 -8.162 1.651) 22.381 15.318 ( 15.171 15.256 -5.483) 22.203 16.997 ( 1.846 -1.070 -18.595) 18.718 20.390 ( -23.038 -25.062 34.345) 48.358 22.179 ( -26.552 -7.422 -30.415) 41.051 ======================= Grid point 1885 (631/891) ======================= q-point: ( 0.48 0.24 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.506 ( 36.031 19.368 13.769) 43.161 7.439 ( 35.248 34.652 2.958) 49.517 8.174 ( 7.390 10.840 -6.494) 14.639 9.937 ( 29.149 35.263 -1.574) 45.778 11.717 ( 40.785 22.203 -10.984) 47.718 12.454 ( 1.579 -2.974 1.411) 3.650 12.793 ( -9.034 13.687 1.507) 16.469 14.835 ( 17.485 -4.178 1.734) 18.061 15.656 ( 14.536 8.371 -4.739) 17.431 16.997 ( 3.755 0.989 -13.487) 14.035 19.792 ( -30.719 -23.671 34.167) 51.685 21.632 ( -18.518 -7.397 -26.204) 32.928 ======================= Grid point 1886 (632/891) ======================= q-point: ( 0.52 0.24 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.340 ( 36.693 16.444 5.158) 40.539 8.277 ( 18.315 28.756 -10.915) 35.798 8.436 ( 15.556 19.944 7.969) 26.520 10.638 ( 21.811 22.160 -3.822) 31.328 12.119 ( 3.086 -2.905 -17.726) 18.226 12.553 ( -1.571 7.849 -4.005) 8.950 12.977 ( 15.265 18.495 7.022) 24.988 15.086 ( 15.058 -2.393 1.555) 15.326 16.023 ( 21.326 7.751 2.785) 22.861 17.008 ( 0.769 1.149 -13.551) 13.621 19.192 ( -26.880 -15.091 25.576) 40.055 21.199 ( -14.734 -10.884 -14.306) 23.242 ======================= Grid point 1887 (633/891) ======================= q-point: ( 0.57 0.24 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.061 ( 30.874 7.854 -1.212) 31.880 8.588 ( 5.595 23.511 -7.552) 25.320 9.131 ( 22.417 29.928 4.907) 37.714 11.104 ( 14.490 12.999 -3.202) 19.728 11.981 ( -4.101 -5.103 -17.112) 18.321 12.492 ( -9.920 7.291 -4.028) 12.954 13.409 ( 12.076 11.042 2.278) 16.521 15.299 ( 12.920 -4.537 0.856) 13.720 16.406 ( 4.339 1.733 -3.435) 5.800 17.095 ( 18.391 11.228 -1.065) 21.574 18.812 ( -13.395 -5.709 15.459) 21.236 20.796 ( -15.002 -14.973 -3.013) 21.409 ======================= Grid point 1888 (634/891) ======================= q-point: ( 0.62 0.24 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.464 ( 12.745 1.953 -0.851) 12.922 8.977 ( 13.965 24.195 -12.454) 30.586 9.746 ( 14.935 26.654 4.319) 30.857 11.373 ( 6.769 6.436 0.634) 9.362 11.838 ( -0.814 -1.260 -15.510) 15.582 12.365 ( -11.237 6.748 -3.586) 13.589 13.632 ( 6.003 5.638 -0.581) 8.256 15.396 ( 7.480 -15.009 -2.802) 17.002 16.174 ( -20.959 5.483 -12.664) 25.095 17.855 ( 41.418 18.344 13.371) 47.230 18.701 ( -1.563 -1.235 7.741) 7.993 20.359 ( -17.641 -18.704 4.903) 26.174 ======================= Grid point 1889 (635/891) ======================= q-point: ( 0.67 0.24 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.615 ( 3.832 1.925 1.074) 4.421 9.310 ( 6.098 14.838 -19.195) 25.016 10.173 ( 4.683 21.799 5.163) 22.886 11.526 ( 6.535 5.778 5.635) 10.385 11.839 ( 4.429 2.091 -11.985) 12.947 12.236 ( -10.089 7.804 -3.864) 13.327 13.770 ( 6.366 3.947 -3.041) 8.084 15.137 ( -10.375 -25.465 -14.684) 31.173 15.955 ( -12.931 15.918 -5.155) 21.146 18.595 ( 8.129 1.595 14.597) 16.784 18.925 ( 33.765 13.378 3.792) 36.516 19.871 ( -18.098 -20.718 11.045) 29.644 ======================= Grid point 1890 (636/891) ======================= q-point: (-0.29 0.24 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.641 ( -0.953 -3.202 0.713) 3.416 9.312 ( -10.811 8.222 -19.007) 23.362 10.335 ( -9.975 15.555 4.938) 19.126 11.819 ( 13.993 8.841 -3.687) 16.958 11.915 ( 8.378 2.605 2.672) 9.172 12.184 ( -4.575 11.658 -3.226) 12.933 13.920 ( 8.371 3.537 -5.008) 10.376 14.572 ( -19.109 -21.468 -21.655) 35.985 15.914 ( -9.013 12.062 -1.117) 15.099 18.613 ( -3.639 -5.248 10.346) 12.159 19.129 ( -20.087 -17.370 1.858) 26.621 20.004 ( 39.478 10.520 17.428) 44.417 ======================= Grid point 1891 (637/891) ======================= q-point: (-0.24 0.24 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.473 ( -8.955 -16.611 -3.938) 19.278 9.051 ( -22.651 11.775 -11.769) 28.111 10.176 ( -23.476 8.822 4.073) 25.408 11.893 ( 1.842 0.505 -8.665) 8.873 12.213 ( 2.473 11.939 -4.766) 13.091 12.499 ( 27.953 15.418 13.814) 34.784 13.967 ( -18.988 -16.887 -27.394) 37.365 14.067 ( 6.114 1.976 -4.204) 7.678 15.845 ( -10.548 7.428 0.273) 12.904 18.342 ( -24.370 -17.610 10.731) 31.924 18.655 ( -10.777 -11.297 1.956) 15.735 20.881 ( 41.087 12.024 14.276) 45.128 ======================= Grid point 1892 (638/891) ======================= q-point: (-0.19 0.24 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.954 ( -23.813 -26.184 -7.763) 36.235 8.727 ( -27.483 12.488 -6.552) 30.890 9.797 ( -28.557 4.874 4.140) 29.265 11.895 ( 1.075 -0.126 -5.313) 5.422 12.340 ( 0.634 11.590 -4.488) 12.445 13.099 ( 3.134 -0.795 16.598) 16.910 13.549 ( 10.663 1.119 -35.609) 37.188 14.117 ( 1.325 -0.712 0.608) 1.622 15.700 ( -12.743 2.946 1.230) 13.136 17.705 ( -27.706 -18.010 3.033) 33.184 18.433 ( -8.581 -8.375 6.486) 13.633 21.701 ( 37.346 9.831 11.439) 40.277 ======================= Grid point 1902 (639/891) ======================= q-point: ( 0.29 0.29 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( -0.000 40.474 22.714) 46.412 4.009 ( -0.000 17.510 55.505) 58.202 5.470 ( -0.000 80.388 21.254) 83.150 7.703 ( 0.000 9.340 -7.327) 11.871 8.309 ( 0.000 34.384 -14.929) 37.486 12.445 ( 0.000 -0.407 -2.411) 2.445 13.031 ( -0.000 26.486 1.326) 26.519 13.405 ( -0.000 -22.923 17.440) 28.803 14.240 ( -0.000 6.226 2.259) 6.624 17.157 ( 0.000 5.393 -41.431) 41.781 20.885 ( -0.000 4.447 8.919) 9.966 24.240 ( 0.000 -19.787 -8.287) 21.453 ======================= Grid point 1903 (640/891) ======================= q-point: ( 0.33 0.29 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.672 ( 37.619 39.951 16.944) 57.431 4.396 ( 7.176 12.706 52.611) 54.597 6.439 ( 10.348 83.631 9.185) 84.768 7.840 ( 5.830 15.524 -5.637) 17.515 8.737 ( 15.021 34.629 -14.221) 40.336 12.455 ( 2.035 -0.078 -1.612) 2.597 13.162 ( -5.972 5.103 11.748) 14.132 13.460 ( 13.198 1.821 4.564) 14.083 14.425 ( 11.178 10.799 2.142) 15.689 17.062 ( 0.564 0.509 -35.850) 35.858 20.911 ( 0.015 -8.133 12.182) 14.648 23.855 ( -18.217 -17.494 -13.400) 28.591 ======================= Grid point 1904 (641/891) ======================= q-point: ( 0.38 0.29 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.807 ( 32.663 30.173 17.856) 47.918 4.920 ( 30.098 22.456 36.555) 52.407 7.360 ( 12.467 52.163 -6.231) 53.993 8.269 ( 13.976 45.250 4.056) 47.533 9.378 ( 27.808 30.740 -12.848) 43.397 12.481 ( 0.984 -0.567 0.546) 1.260 13.146 ( -6.120 7.216 8.908) 12.996 13.749 ( 19.013 -2.619 1.332) 19.239 14.808 ( 15.669 16.546 -0.061) 22.788 16.953 ( 0.879 -2.496 -27.997) 28.122 20.790 ( -3.852 -20.927 19.686) 28.988 23.235 ( -29.346 -12.363 -20.309) 37.769 ======================= Grid point 1905 (642/891) ======================= q-point: ( 0.43 0.29 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.473 ( 23.270 19.171 27.989) 41.139 6.073 ( 45.514 37.102 10.916) 59.727 7.838 ( 9.525 22.909 -13.675) 28.329 9.146 ( 17.012 62.636 6.725) 65.252 10.208 ( 40.516 28.154 -10.393) 50.420 12.470 ( -0.885 -2.739 2.123) 3.577 13.151 ( -9.135 15.345 3.614) 18.220 14.062 ( 24.038 -8.868 0.771) 25.633 15.214 ( 13.335 14.799 -4.337) 20.388 16.877 ( 2.822 -2.295 -18.820) 19.168 20.504 ( -10.209 -29.578 29.106) 42.735 22.527 ( -32.087 -6.930 -27.127) 42.585 ======================= Grid point 1906 (643/891) ======================= q-point: ( 0.48 0.29 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.193 ( 29.095 19.898 18.053) 39.603 7.202 ( 39.295 39.236 6.999) 55.969 8.142 ( 8.071 19.488 -12.777) 24.661 9.975 ( 14.583 47.291 1.604) 49.515 11.189 ( 43.825 25.952 -9.791) 51.865 12.428 ( -0.659 -2.780 2.848) 4.035 13.154 ( -12.017 20.514 0.490) 23.779 14.395 ( 25.075 -9.373 0.767) 26.780 15.505 ( 10.593 7.895 -5.805) 14.431 16.885 ( 5.085 0.354 -12.354) 13.365 20.070 ( -18.283 -29.944 33.685) 48.637 21.864 ( -27.112 -5.487 -27.989) 39.351 ======================= Grid point 1907 (644/891) ======================= q-point: ( 0.52 0.29 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.948 ( 31.554 18.129 9.225) 37.542 8.217 ( 30.911 41.542 3.420) 51.894 8.427 ( 7.274 20.415 -9.478) 23.654 10.592 ( 12.927 31.539 -1.513) 34.119 11.896 ( 18.020 5.105 -16.933) 25.249 12.520 ( 10.357 8.214 3.867) 13.773 13.180 ( -8.849 24.461 1.899) 26.081 14.722 ( 22.339 -7.628 0.837) 23.620 15.756 ( 16.042 3.694 -1.056) 16.495 16.944 ( 3.951 2.303 -11.011) 11.922 19.554 ( -23.597 -21.365 28.295) 42.589 21.317 ( -19.250 -9.991 -19.191) 28.960 ======================= Grid point 1908 (645/891) ======================= q-point: ( 0.57 0.29 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.652 ( 29.509 13.743 2.308) 32.634 8.717 ( 4.998 26.248 -10.267) 28.624 9.102 ( 24.168 38.693 4.789) 45.871 11.036 ( 10.519 20.191 -2.244) 22.877 11.921 ( -0.688 -4.464 -16.397) 17.008 12.706 ( -3.444 9.232 -3.096) 10.328 13.413 ( 4.463 22.280 3.796) 23.038 14.985 ( 16.791 -8.069 0.290) 18.631 16.155 ( 24.241 3.274 2.168) 24.557 16.998 ( 4.078 6.321 -8.057) 11.023 19.090 ( -20.385 -10.361 17.761) 28.954 20.863 ( -14.321 -16.831 -6.507) 23.037 ======================= Grid point 1909 (646/891) ======================= q-point: ( 0.62 0.29 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.202 ( 21.452 8.294 -1.399) 23.042 9.041 ( 6.028 27.599 -11.285) 30.420 9.830 ( 15.562 36.997 5.283) 40.482 11.340 ( 7.119 12.631 -0.653) 14.514 11.796 ( -2.184 -2.138 -15.546) 15.844 12.648 ( -11.240 10.121 -3.009) 15.421 13.647 ( 1.188 12.745 1.004) 12.840 15.107 ( 9.162 -13.535 -2.422) 16.523 16.406 ( -1.367 4.763 -8.531) 9.866 17.388 ( 33.033 13.901 7.176) 36.550 18.804 ( -10.362 -4.127 9.322) 14.536 20.431 ( -13.721 -22.784 3.525) 26.829 ======================= Grid point 1910 (647/891) ======================= q-point: ( 0.67 0.29 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.526 ( 10.214 4.399 -1.727) 11.255 9.354 ( 4.510 24.380 -15.631) 29.310 10.385 ( 6.348 33.389 7.639) 34.835 11.532 ( 3.194 9.188 2.860) 10.139 11.747 ( 3.011 2.011 -14.072) 14.530 12.535 ( -13.033 11.969 -2.916) 17.934 13.744 ( 0.389 6.789 -1.456) 6.954 14.976 ( -3.066 -20.382 -8.877) 22.442 16.321 ( -12.284 14.624 -8.814) 21.035 18.252 ( 43.421 12.430 13.123) 47.033 18.702 ( 0.057 -2.995 4.141) 5.111 19.959 ( -15.630 -27.224 9.658) 32.843 ======================= Grid point 1911 (648/891) ======================= q-point: ( 0.71 0.29 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.629 ( 0.401 -0.823 -1.890) 2.100 9.520 ( -4.652 19.859 -16.959) 26.526 10.735 ( -6.024 29.811 8.323) 31.532 11.710 ( 7.297 10.393 -0.409) 12.705 11.817 ( 6.073 2.175 -5.229) 8.304 12.445 ( -10.791 14.923 -3.093) 18.674 13.819 ( 4.184 3.324 -3.974) 6.659 14.579 ( -13.726 -19.962 -15.148) 28.572 16.248 ( -12.748 17.295 -4.948) 22.048 18.616 ( 0.077 -5.587 8.214) 9.935 19.141 ( 18.435 0.889 1.465) 18.514 19.528 ( 9.180 -20.260 18.376) 28.852 ======================= Grid point 1912 (649/891) ======================= q-point: (-0.24 0.29 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.497 ( -9.493 -9.345 -3.135) 13.684 9.483 ( -15.408 19.149 -13.268) 27.931 10.777 ( -23.806 24.929 5.811) 34.956 11.838 ( 2.513 3.038 -10.587) 11.298 12.108 ( 19.553 9.049 6.001) 22.365 12.481 ( -1.712 17.418 0.558) 17.511 13.893 ( 2.615 -5.917 -11.079) 12.830 14.101 ( -13.880 -7.770 -13.089) 20.599 16.165 ( -14.297 14.009 -2.109) 20.128 18.527 ( -8.420 -11.039 10.353) 17.319 18.733 ( -18.299 -22.963 2.676) 29.484 20.256 ( 46.946 4.050 12.908) 48.856 ======================= Grid point 1913 (650/891) ======================= q-point: (-0.19 0.29 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.098 ( -20.683 -16.915 -3.398) 26.935 9.299 ( -23.816 19.041 -10.287) 32.181 10.488 ( -35.832 19.268 4.387) 40.920 11.858 ( 1.259 1.400 -6.477) 6.745 12.429 ( 3.401 11.092 -8.973) 14.667 12.860 ( 26.043 10.466 14.719) 31.693 13.523 ( -16.423 -7.369 -23.314) 29.455 14.072 ( 3.024 1.604 -2.800) 4.422 16.008 ( -16.625 7.702 0.101) 18.322 17.994 ( -26.787 -21.722 6.133) 35.029 18.474 ( -4.582 -10.230 5.070) 12.302 21.104 ( 44.001 2.450 9.575) 45.097 ======================= Grid point 1924 (651/891) ======================= q-point: ( 0.33 0.33 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.843 ( -0.000 47.681 17.012) 50.625 4.636 ( -0.000 13.084 50.095) 51.776 7.258 ( -0.000 89.213 3.111) 89.267 7.879 ( 0.000 13.169 -6.679) 14.766 8.946 ( 0.000 39.619 -11.934) 41.377 12.417 ( 0.000 -0.673 -2.636) 2.721 13.066 ( -0.000 -19.933 17.811) 26.731 13.690 ( -0.000 35.052 -0.682) 35.058 14.414 ( -0.000 9.622 2.644) 9.978 16.938 ( 0.000 -1.915 -31.496) 31.554 20.836 ( -0.000 -17.328 14.824) 22.804 23.791 ( 0.000 -16.332 -17.843) 24.189 ======================= Grid point 1925 (652/891) ======================= q-point: ( 0.38 0.33 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.629 ( 28.558 46.216 13.388) 55.952 4.992 ( 6.992 16.117 43.240) 46.673 7.798 ( -9.121 38.891 -9.602) 41.084 8.450 ( 24.651 61.242 0.506) 66.019 9.375 ( 8.042 39.015 -9.481) 40.948 12.438 ( 3.128 -0.656 -1.196) 3.412 13.020 ( 9.842 -16.723 13.789) 23.805 13.899 ( -11.611 28.935 -0.181) 31.178 14.694 ( 15.565 15.228 0.979) 21.798 16.817 ( 0.763 -4.119 -25.033) 25.381 20.662 ( -1.382 -27.300 19.238) 33.426 23.435 ( -16.142 -12.804 -22.413) 30.444 ======================= Grid point 1926 (653/891) ======================= q-point: ( 0.43 0.33 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.449 ( 14.476 21.908 27.840) 38.270 5.744 ( 40.658 40.511 15.774) 59.523 7.988 ( -0.859 27.927 -12.885) 30.768 9.532 ( 22.222 68.662 2.526) 72.212 9.903 ( 18.449 31.224 -10.344) 37.713 12.459 ( 0.345 -2.343 2.108) 3.171 13.171 ( 17.307 -7.653 6.907) 20.145 13.944 ( -9.392 19.471 0.022) 21.618 15.116 ( 14.035 15.401 -2.933) 21.042 16.734 ( 3.169 -3.982 -16.842) 17.594 20.391 ( -3.484 -33.992 24.883) 42.270 22.876 ( -26.627 -8.605 -26.225) 38.351 ======================= Grid point 1927 (654/891) ======================= q-point: ( 0.48 0.33 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.043 ( 20.361 22.329 20.513) 36.523 6.905 ( 42.954 39.196 10.700) 59.125 8.240 ( 3.266 28.443 -14.146) 31.934 10.314 ( 3.919 46.986 1.261) 47.166 10.717 ( 39.629 33.836 -10.771) 53.211 12.433 ( -1.083 -1.585 3.771) 4.232 13.447 ( 9.691 9.674 2.255) 13.878 14.003 ( 3.515 5.479 -0.062) 6.510 15.407 ( 8.156 8.286 -5.336) 12.793 16.749 ( 6.405 -0.627 -9.994) 11.887 20.058 ( -6.344 -34.721 29.482) 45.990 22.219 ( -30.469 -6.368 -27.598) 41.600 ======================= Grid point 1928 (655/891) ======================= q-point: ( 0.52 0.33 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.700 ( 24.481 21.540 12.233) 34.827 8.005 ( 38.575 34.565 8.402) 52.473 8.564 ( 4.908 34.139 -14.133) 37.273 10.777 ( 4.920 33.279 -1.017) 33.656 11.533 ( 27.236 15.002 -14.202) 34.184 12.485 ( 4.568 7.961 5.245) 10.572 13.635 ( -9.559 28.046 0.514) 29.635 14.223 ( 23.609 -8.309 0.566) 25.035 15.564 ( 8.440 1.326 -2.598) 8.930 16.848 ( 6.553 2.970 -7.869) 10.662 19.701 ( -10.590 -28.511 29.103) 42.095 21.557 ( -27.856 -8.538 -23.937) 37.707 ======================= Grid point 1929 (656/891) ======================= q-point: ( 0.57 0.33 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.356 ( 25.217 18.649 5.346) 31.816 8.786 ( 15.695 22.671 -5.145) 28.050 9.124 ( 20.527 47.030 -0.927) 51.323 11.133 ( 4.261 24.493 -1.793) 24.925 11.789 ( 6.371 -2.278 -15.466) 16.882 12.744 ( 7.161 10.832 1.657) 13.091 13.751 ( -9.680 31.209 1.003) 32.691 14.572 ( 23.353 -7.065 1.208) 24.429 15.779 ( 19.217 -1.785 1.341) 19.346 16.963 ( 4.865 6.293 -6.845) 10.494 19.340 ( -14.922 -17.659 21.563) 31.614 20.958 ( -21.054 -15.520 -14.131) 29.729 ======================= Grid point 1930 (657/891) ======================= q-point: ( 0.62 0.33 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.934 ( 22.006 14.216 0.354) 26.201 9.176 ( 7.127 27.354 -10.793) 30.258 9.933 ( 19.699 40.725 5.883) 45.620 11.396 ( 3.459 17.707 -2.380) 18.198 11.757 ( -0.281 -0.551 -14.112) 14.126 12.851 ( -3.364 6.389 -0.719) 7.256 13.897 ( -7.890 24.988 -0.104) 26.204 14.810 ( 11.921 -8.204 0.237) 14.473 16.185 ( 25.852 -0.077 -0.621) 25.859 17.147 ( 11.821 10.943 -0.956) 16.137 19.009 ( -14.949 -8.320 11.322) 20.515 20.435 ( -14.978 -24.155 -2.044) 28.495 ======================= Grid point 1931 (658/891) ======================= q-point: ( 0.67 0.33 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.363 ( 14.913 8.974 -2.480) 17.581 9.504 ( 3.759 28.039 -12.991) 31.130 10.600 ( 12.213 33.831 10.719) 37.531 11.587 ( 3.978 10.382 -4.350) 11.939 11.729 ( -1.859 9.619 -11.112) 14.814 12.811 ( -7.457 6.946 -1.144) 10.255 13.942 ( -10.792 17.644 -1.368) 20.728 14.804 ( 0.487 -13.003 -4.249) 13.688 16.498 ( 6.089 9.698 -7.254) 13.555 17.678 ( 36.566 9.375 8.618) 38.720 18.761 ( -9.292 -5.350 4.818) 11.755 19.940 ( -13.027 -30.806 6.836) 34.139 ======================= Grid point 1932 (659/891) ======================= q-point: ( 0.71 0.33 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.585 ( 5.056 3.082 -3.481) 6.869 9.749 ( -1.513 26.504 -14.555) 30.275 11.083 ( 4.717 26.663 14.510) 30.719 11.714 ( 6.572 3.470 -6.783) 10.061 11.821 ( -3.390 21.443 -6.102) 22.551 12.749 ( -8.632 10.124 -1.918) 13.443 13.892 ( -9.324 9.704 -2.561) 13.699 14.567 ( -9.264 -12.536 -10.216) 18.637 16.588 ( -7.199 17.501 -6.808) 20.111 18.501 ( 36.538 3.470 12.316) 38.713 18.633 ( 8.183 -5.423 0.633) 9.838 19.419 ( -14.050 -34.754 11.549) 39.225 ======================= Grid point 1933 (660/891) ======================= q-point: (-0.24 0.33 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.564 ( -6.179 -3.297 -3.133) 7.672 9.863 ( -9.250 24.941 -14.148) 30.130 11.366 ( -6.417 23.336 8.492) 25.649 11.853 ( 1.390 10.188 -1.870) 10.451 11.966 ( 3.996 14.156 -1.545) 14.790 12.715 ( -6.905 12.150 -2.316) 14.166 13.801 ( -3.835 -4.266 -6.359) 8.563 14.253 ( -13.310 0.699 -11.855) 17.838 16.560 ( -14.240 17.041 -3.971) 22.560 18.508 ( -0.226 -9.731 4.480) 10.715 18.819 ( -18.701 -29.753 7.823) 36.003 19.463 ( 51.127 -3.032 11.245) 52.437 ======================= Grid point 1934 (661/891) ======================= q-point: (-0.19 0.33 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.294 ( -17.463 -8.624 -1.452) 19.530 9.825 ( -17.872 23.418 -13.049) 32.220 11.326 ( -28.333 23.856 3.594) 37.213 11.883 ( -5.643 10.123 -4.906) 12.585 12.280 ( 16.530 5.750 -1.975) 17.613 12.757 ( 2.880 5.148 5.658) 8.174 13.616 ( -6.147 -5.451 -12.966) 15.350 14.126 ( -6.591 12.409 -6.453) 15.462 16.399 ( -19.232 9.288 -0.907) 21.377 18.209 ( -22.245 -25.510 7.370) 34.640 18.421 ( -0.109 -11.324 4.232) 12.089 20.327 ( 49.585 -3.735 7.409) 50.274 ======================= Grid point 1946 (662/891) ======================= q-point: ( 0.38 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.907 ( -0.000 49.644 14.080) 51.602 5.244 ( -0.000 18.982 38.180) 42.638 8.123 ( 0.000 15.817 -6.076) 16.944 8.874 ( 0.000 74.291 -13.834) 75.568 9.737 ( -0.000 48.157 -1.319) 48.175 12.388 ( 0.000 -0.556 -2.176) 2.246 12.820 ( -0.000 -15.583 14.266) 21.127 14.392 ( -0.000 35.827 -0.829) 35.837 14.643 ( -0.000 11.706 2.344) 11.938 16.682 ( 0.000 -6.058 -19.948) 20.848 20.437 ( -0.000 -33.870 20.210) 39.441 23.369 ( 0.000 -11.978 -25.210) 27.911 ======================= Grid point 1947 (663/891) ======================= q-point: ( 0.43 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.588 ( 9.301 31.206 20.716) 38.594 5.671 ( 20.054 38.469 22.861) 49.037 8.238 ( -2.209 21.134 -8.243) 22.792 9.635 ( 19.630 51.167 -18.254) 57.764 10.260 ( 0.354 55.662 3.174) 55.754 12.417 ( 3.282 -0.599 -0.286) 3.348 12.816 ( 11.155 -11.203 10.638) 19.055 14.445 ( -18.012 25.269 0.852) 31.043 15.029 ( 14.818 18.875 -1.320) 24.033 16.582 ( 2.667 -6.398 -12.992) 14.726 20.148 ( -0.636 -37.575 22.151) 43.623 23.046 ( -14.210 -10.232 -27.119) 32.281 ======================= Grid point 1948 (664/891) ======================= q-point: ( 0.48 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.076 ( 11.696 25.282 20.937) 34.847 6.656 ( 35.704 41.707 12.617) 56.333 8.440 ( 2.145 27.266 -10.858) 29.427 10.348 ( 23.708 28.059 -14.107) 39.349 10.841 ( 3.451 53.351 -0.610) 53.466 12.456 ( 0.514 2.386 3.075) 3.926 13.070 ( 24.065 -5.113 5.450) 25.199 14.379 ( -17.676 22.931 0.361) 28.955 15.360 ( 6.723 11.599 -3.677) 13.902 16.588 ( 7.436 -2.455 -6.312) 10.058 19.846 ( -0.594 -36.758 24.400) 44.123 22.527 ( -24.227 -8.970 -27.492) 37.726 ======================= Grid point 1949 (665/891) ======================= q-point: ( 0.52 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.625 ( 16.508 25.040 13.918) 33.064 7.710 ( 37.840 34.769 9.635) 52.284 8.779 ( 6.325 35.542 -11.955) 38.028 10.890 ( 16.481 20.299 -6.204) 26.873 11.345 ( 9.206 26.233 -9.228) 29.293 12.554 ( 1.752 13.319 3.773) 13.953 13.531 ( 30.429 -0.118 3.707) 30.654 14.298 ( -17.167 21.646 -0.816) 27.639 15.484 ( 2.252 2.797 -1.494) 3.889 16.726 ( 9.141 3.399 -4.141) 10.595 19.581 ( -0.898 -31.666 25.221) 40.492 21.886 ( -29.275 -9.711 -25.618) 40.095 ======================= Grid point 1950 (666/891) ======================= q-point: ( 0.57 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.204 ( 19.096 22.802 7.701) 30.723 8.610 ( 28.994 24.510 3.000) 38.084 9.304 ( 13.099 46.044 -7.351) 48.432 11.277 ( 7.738 19.710 -2.014) 21.270 11.582 ( 8.647 1.604 -12.981) 15.680 12.778 ( 4.035 15.724 1.619) 16.315 14.071 ( 28.172 -4.654 3.236) 28.736 14.265 ( -11.300 31.846 -0.703) 33.799 15.537 ( 5.587 -3.205 2.069) 6.765 16.909 ( 7.300 7.673 -4.217) 11.399 19.358 ( -3.083 -23.902 22.419) 32.915 21.192 ( -29.078 -13.698 -20.522) 38.135 ======================= Grid point 1951 (667/891) ======================= q-point: ( 0.62 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.752 ( 18.741 18.747 2.656) 26.641 9.207 ( 16.304 23.709 -5.822) 29.357 10.029 ( 18.183 43.467 2.180) 47.167 11.510 ( 0.960 12.707 -4.660) 13.569 11.681 ( 7.487 4.815 -10.166) 13.513 12.931 ( -0.218 6.838 0.211) 6.844 14.217 ( 0.526 7.578 -2.264) 7.926 14.663 ( 7.114 23.804 4.651) 25.276 15.698 ( 21.816 -7.658 2.337) 23.239 17.103 ( 6.791 10.980 -2.775) 13.205 19.143 ( -7.374 -15.294 15.356) 22.893 20.510 ( -24.053 -21.400 -11.580) 34.214 ======================= Grid point 1952 (668/891) ======================= q-point: ( 0.67 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.205 ( 15.192 13.269 -1.089) 20.200 9.640 ( 8.923 26.859 -9.563) 29.874 10.709 ( 15.147 30.987 10.196) 35.966 11.565 ( 2.101 3.319 -10.925) 11.610 11.883 ( 2.510 21.655 -5.394) 22.457 12.928 ( -3.482 1.092 0.049) 3.649 14.299 ( -2.931 13.580 -3.797) 14.402 14.805 ( -11.078 11.354 3.247) 16.192 16.168 ( 34.178 -0.687 -1.085) 34.202 17.370 ( 13.814 10.528 1.879) 17.470 18.905 ( -11.116 -8.590 6.607) 15.524 19.886 ( -16.843 -30.785 -0.465) 35.094 ======================= Grid point 1953 (669/891) ======================= q-point: ( 0.71 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.504 ( 8.576 7.130 -3.184) 11.599 9.973 ( 2.482 28.130 -11.422) 30.461 11.205 ( 10.147 17.094 16.314) 25.716 11.623 ( 5.170 4.886 -10.475) 12.662 12.126 ( -1.902 29.336 -5.846) 29.974 12.876 ( -2.061 -0.032 -0.527) 2.128 14.315 ( -16.330 21.222 -3.153) 26.962 14.622 ( -12.951 -0.582 -3.457) 13.417 16.674 ( 16.699 12.265 -5.468) 21.429 17.847 ( 34.182 1.427 8.274) 35.198 18.651 ( -10.226 -7.988 0.841) 13.003 19.324 ( -12.238 -36.218 7.951) 39.048 ======================= Grid point 1954 (670/891) ======================= q-point: (-0.24 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.605 ( -0.693 1.574 -3.117) 3.560 10.191 ( -4.311 27.366 -13.015) 30.609 11.488 ( 4.769 7.801 3.994) 9.977 11.803 ( 10.177 7.390 6.542) 14.177 12.325 ( -6.724 28.451 -4.652) 29.603 12.869 ( -1.001 3.822 -1.752) 4.322 14.034 ( -28.350 5.749 -4.174) 29.226 14.485 ( -8.865 14.032 -8.645) 18.714 16.904 ( -5.184 18.317 -5.005) 19.683 18.413 ( -0.687 -17.090 -1.136) 17.142 18.569 ( 42.952 -11.911 14.016) 46.725 18.823 ( -8.931 -25.274 6.805) 27.656 ======================= Grid point 1955 (671/891) ======================= q-point: (-0.19 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.488 ( -11.596 -2.367 -0.973) 11.875 10.270 ( -11.581 25.368 -14.409) 31.389 11.588 ( 1.745 3.891 -6.696) 7.939 12.112 ( 11.488 7.278 10.404) 17.122 12.418 ( -13.194 25.592 5.994) 29.410 12.835 ( -10.639 5.367 -3.071) 12.305 13.615 ( -12.641 -5.905 -8.479) 16.327 14.475 ( -12.414 25.496 -7.964) 29.455 16.818 ( -19.450 8.613 -1.515) 21.325 18.201 ( -2.469 -26.681 3.204) 26.986 18.366 ( -8.195 -15.793 7.855) 19.449 19.422 ( 51.411 -7.254 4.991) 52.160 ======================= Grid point 1968 (672/891) ======================= q-point: ( 0.43 0.43 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.896 ( -0.000 24.989 27.144) 36.895 5.962 ( -0.000 48.248 12.324) 49.797 8.410 ( 0.000 17.389 -5.706) 18.301 9.882 ( 0.000 44.528 -21.326) 49.371 10.818 ( -0.000 53.746 1.509) 53.767 12.365 ( 0.000 -0.688 -1.219) 1.400 12.691 ( -0.000 -4.009 11.957) 12.611 14.895 ( -0.000 12.512 1.434) 12.594 15.056 ( -0.000 31.976 -1.150) 31.997 16.446 ( 0.000 -8.319 -7.474) 11.183 19.847 ( -0.000 -38.274 20.491) 43.415 22.969 ( 0.000 -11.052 -27.927) 30.034 ======================= Grid point 1969 (673/891) ======================= q-point: ( 0.48 0.43 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.271 ( 4.455 27.470 20.566) 34.604 6.641 ( 19.699 44.116 12.308) 49.857 8.597 ( 3.581 21.029 -6.881) 22.414 10.303 ( 10.630 33.509 -17.343) 39.200 11.270 ( -0.314 36.905 -2.534) 36.993 12.432 ( 7.435 2.249 -0.804) 7.809 12.802 ( 7.292 6.483 10.281) 14.174 14.878 ( -14.189 18.034 0.707) 22.958 15.403 ( 4.023 19.353 -1.144) 19.800 16.413 ( 6.896 -4.659 -1.592) 8.473 19.557 ( 0.912 -35.136 19.781) 40.332 22.652 ( -12.782 -11.486 -27.773) 32.660 ======================= Grid point 1970 (674/891) ======================= q-point: ( 0.52 0.43 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.718 ( 8.975 27.700 14.638) 32.590 7.514 ( 29.582 36.808 10.522) 48.380 8.928 ( 9.960 29.333 -8.545) 32.134 10.751 ( 15.162 22.024 -11.449) 29.086 11.497 ( -0.851 15.180 -5.263) 16.089 12.637 ( 8.617 10.554 -1.768) 13.739 13.130 ( 17.269 10.304 8.024) 21.651 14.790 ( -16.160 16.973 -0.720) 23.446 15.544 ( -2.277 9.046 2.262) 9.599 16.581 ( 11.408 5.002 -0.046) 12.456 19.333 ( 2.274 -29.400 19.395) 35.294 22.139 ( -22.557 -12.431 -26.303) 36.813 ======================= Grid point 1971 (675/891) ======================= q-point: ( 0.57 0.43 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.205 ( 12.296 25.824 9.470) 30.129 8.369 ( 29.413 26.721 6.426) 40.255 9.467 ( 16.117 40.573 -7.735) 44.336 11.163 ( 16.731 12.512 -6.456) 21.866 11.547 ( -0.988 4.508 -6.179) 7.712 12.870 ( 5.288 12.071 -3.287) 13.582 13.606 ( 24.841 5.785 6.782) 26.392 14.693 ( -10.958 14.896 -1.725) 18.572 15.574 ( -5.134 8.072 6.178) 11.388 16.844 ( 9.520 11.214 -1.316) 14.769 19.181 ( 2.625 -23.517 18.146) 29.820 21.483 ( -28.613 -14.765 -23.221) 39.698 ======================= Grid point 1972 (676/891) ======================= q-point: ( 0.62 0.43 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.689 ( 13.616 21.932 5.017) 26.298 9.065 ( 23.958 21.237 0.727) 32.024 10.170 ( 17.170 44.139 -3.035) 47.458 11.487 ( 9.798 0.235 -9.160) 13.415 11.587 ( 6.496 11.579 -1.573) 13.370 13.001 ( 0.491 6.097 -3.236) 6.920 14.036 ( 17.165 -0.354 5.816) 18.127 14.821 ( 11.559 17.367 -1.476) 20.915 15.565 ( -8.707 8.890 7.031) 14.293 17.102 ( 6.644 14.262 -2.048) 15.867 19.065 ( 1.113 -18.812 15.221) 24.224 20.739 ( -30.524 -19.179 -18.194) 40.380 ======================= Grid point 1973 (677/891) ======================= q-point: ( 0.67 0.43 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.114 ( 12.472 16.387 1.303) 20.635 9.630 ( 18.212 22.232 -3.214) 28.918 10.811 ( 11.977 32.568 4.816) 35.033 11.518 ( 2.335 1.942 -11.043) 11.452 11.942 ( 13.346 18.579 -2.056) 22.968 12.986 ( -3.616 -0.929 -1.931) 4.204 14.260 ( 9.387 2.750 2.978) 10.225 15.344 ( 4.507 34.973 1.109) 35.280 15.519 ( 12.585 -9.993 4.199) 16.609 17.337 ( 5.650 13.735 -1.381) 14.915 18.937 ( -2.282 -14.755 10.594) 18.307 19.966 ( -27.910 -26.030 -10.955) 39.706 ======================= Grid point 1974 (678/891) ======================= q-point: ( 0.71 0.43 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.429 ( 8.940 10.214 -1.277) 13.633 10.098 ( 11.157 24.805 -5.923) 27.836 11.244 ( 8.481 15.028 13.738) 22.057 11.569 ( 3.686 7.256 -12.782) 15.153 12.337 ( 7.657 24.492 -3.721) 25.930 12.879 ( -3.341 -5.495 -0.964) 6.503 14.479 ( 7.407 11.466 -0.099) 13.651 15.216 ( -31.686 22.186 1.480) 38.709 16.169 ( 43.686 2.925 -0.350) 43.785 17.561 ( 8.896 7.285 1.516) 11.597 18.756 ( -8.168 -10.132 3.711) 13.533 19.233 ( -19.707 -34.512 -1.030) 39.756 ======================= Grid point 1975 (679/891) ======================= q-point: ( 0.76 0.43 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.603 ( 3.290 5.014 -2.129) 6.364 10.439 ( 2.369 25.449 -8.869) 27.054 11.487 ( 4.368 5.517 4.748) 8.490 11.737 ( 8.940 10.330 1.847) 13.786 12.587 ( -2.288 15.223 -4.310) 15.986 12.826 ( 4.822 -2.306 0.331) 5.355 14.708 ( -3.617 21.902 -2.726) 22.365 14.813 ( -36.745 21.585 -3.405) 42.752 16.892 ( 29.977 12.223 -3.375) 32.549 17.792 ( 19.154 -14.793 6.966) 25.184 18.444 ( -13.105 -12.601 -3.382) 18.492 18.706 ( -5.288 -28.326 8.295) 29.986 ======================= Grid point 1976 (680/891) ======================= q-point: (-0.19 0.43 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.621 ( -4.613 1.792 -0.963) 5.042 10.613 ( -5.601 23.242 -12.118) 26.803 11.566 ( 0.890 3.900 -6.483) 7.618 12.052 ( 11.766 9.396 14.335) 20.790 12.561 ( -3.004 -3.259 -2.772) 5.228 12.984 ( 8.132 6.835 1.529) 10.733 14.216 ( -47.931 18.620 -3.887) 51.567 14.917 ( -7.787 32.088 -6.890) 33.730 17.191 ( -14.092 8.277 -1.688) 16.430 17.810 ( 18.237 -35.057 3.717) 39.691 18.327 ( -0.234 -14.542 5.691) 15.617 18.616 ( 27.475 -8.476 2.632) 28.873 ======================= Grid point 1990 (681/891) ======================= q-point: ( 0.48 0.48 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.580 ( -0.000 28.517 19.130) 34.339 6.944 ( -0.000 43.238 10.552) 44.507 8.727 ( 0.000 18.797 -5.446) 19.570 10.491 ( 0.000 32.022 -16.439) 35.995 11.524 ( 0.000 16.253 -3.478) 16.621 12.338 ( 0.000 -1.756 -0.151) 1.762 12.950 ( -0.000 23.216 7.220) 24.313 15.146 ( -0.000 12.299 0.297) 12.302 15.587 ( -0.000 17.797 2.285) 17.943 16.310 ( -0.000 0.856 2.667) 2.801 19.287 ( -0.000 -29.628 16.109) 33.724 22.545 ( 0.000 -13.456 -27.615) 30.718 ======================= Grid point 1991 (682/891) ======================= q-point: ( 0.52 0.48 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.947 ( 3.105 28.926 15.122) 32.788 7.521 ( 15.814 37.065 9.662) 41.440 8.981 ( 9.365 22.820 -5.810) 25.342 10.776 ( 5.251 25.284 -12.454) 28.669 11.590 ( -1.143 3.809 -3.621) 5.378 12.432 ( 12.742 -2.003 -0.490) 12.908 13.227 ( 1.581 24.698 3.425) 24.985 15.147 ( -11.996 8.363 0.092) 14.624 15.686 ( -0.033 3.870 8.020) 8.905 16.502 ( 7.984 18.190 2.326) 20.001 19.094 ( 1.582 -22.468 13.625) 26.324 22.210 ( -11.833 -15.207 -26.567) 32.818 ======================= Grid point 1992 (683/891) ======================= q-point: ( 0.57 0.48 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.348 ( 6.047 27.316 11.038) 30.076 8.209 ( 22.832 27.353 7.392) 36.389 9.483 ( 20.439 31.965 -5.906) 38.397 11.061 ( 7.962 15.894 -7.166) 19.167 11.575 ( -0.934 0.881 -4.188) 4.381 12.686 ( 18.120 -1.935 -2.336) 18.372 13.499 ( 5.825 16.618 2.655) 17.809 14.946 ( -13.303 -1.972 2.343) 13.651 15.786 ( -0.076 10.241 9.380) 13.888 16.855 ( 6.678 24.596 0.710) 25.497 18.982 ( 2.372 -16.940 11.949) 20.865 21.678 ( -21.480 -17.313 -24.438) 36.856 ======================= Grid point 1993 (684/891) ======================= q-point: ( 0.62 0.48 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.751 ( 7.977 23.505 7.360) 25.890 8.859 ( 24.120 19.961 4.213) 31.591 10.225 ( 24.980 39.903 -5.119) 47.354 11.299 ( 9.527 4.831 -3.038) 11.105 11.584 ( 2.284 4.586 -4.066) 6.541 12.924 ( 11.440 -1.469 -4.664) 12.441 13.797 ( 14.603 6.774 5.314) 16.952 14.753 ( -2.744 -7.670 3.821) 8.997 15.923 ( -4.617 18.883 7.852) 20.965 17.188 ( 3.129 25.563 -0.800) 25.766 18.905 ( 1.931 -14.518 10.470) 18.004 20.990 ( -28.232 -20.257 -21.128) 40.667 ======================= Grid point 1994 (685/891) ======================= q-point: ( 0.67 0.48 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.115 ( 8.293 17.903 4.025) 20.137 9.460 ( 23.666 17.976 2.278) 29.806 10.950 ( 13.471 35.543 -0.959) 38.023 11.437 ( 6.036 1.965 -8.347) 10.487 11.806 ( 17.019 11.022 0.580) 20.284 12.989 ( 0.950 -3.025 -4.350) 5.383 14.124 ( 13.612 3.553 7.791) 16.082 14.811 ( 22.143 -13.502 3.285) 26.142 16.041 ( -11.603 28.566 5.251) 31.277 17.447 ( -0.141 22.643 -2.161) 22.746 18.820 ( 0.697 -14.644 8.954) 17.179 20.196 ( -31.523 -24.105 -16.633) 43.028 ======================= Grid point 1995 (686/891) ======================= q-point: ( 0.71 0.48 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.401 ( 6.974 11.687 1.381) 13.680 10.027 ( 20.781 18.694 1.059) 27.972 11.320 ( 3.379 11.922 10.281) 16.101 11.553 ( 4.436 13.508 -15.339) 20.915 12.305 ( 19.549 17.977 -0.596) 26.565 12.895 ( -4.892 -5.144 -2.640) 7.574 14.412 ( 12.835 8.898 6.502) 16.917 15.199 ( 36.271 -19.634 3.216) 41.369 16.139 ( -15.412 38.549 2.019) 41.565 17.608 ( -1.864 14.943 -2.699) 15.299 18.697 ( -0.597 -16.211 7.571) 17.902 19.359 ( -30.698 -27.406 -11.297) 42.674 ======================= Grid point 1996 (687/891) ======================= q-point: ( 0.76 0.48 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.589 ( 4.396 6.547 -0.178) 7.888 10.513 ( 13.355 19.263 -1.314) 23.477 11.478 ( 4.484 4.073 6.950) 9.219 11.738 ( 4.483 15.222 -6.895) 17.302 12.690 ( 9.521 7.829 1.066) 12.372 12.741 ( -6.243 -2.434 -3.210) 7.430 14.804 ( 13.353 19.647 1.816) 23.825 15.475 ( 2.084 0.254 1.320) 2.480 16.404 ( 13.410 23.145 0.224) 26.750 17.643 ( -2.748 -0.978 -0.996) 3.082 18.526 ( -2.058 -24.064 7.578) 25.313 18.602 ( -23.040 -17.061 -7.487) 29.631 ======================= Grid point 1997 (688/891) ======================= q-point: (-0.19 0.48 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.678 ( 0.430 3.535 -0.455) 3.590 10.815 ( 2.277 16.665 -4.844) 17.503 11.599 ( 0.912 7.736 -4.429) 8.961 11.971 ( 10.567 7.172 8.897) 15.565 12.603 ( -6.036 -2.258 -4.004) 7.587 12.857 ( 7.356 -0.620 2.115) 7.679 15.073 ( -14.643 13.645 0.221) 20.016 15.409 ( -19.125 40.540 -4.896) 45.091 16.948 ( 37.870 -20.146 1.925) 42.938 17.434 ( -10.532 -7.491 0.822) 12.950 18.189 ( -1.532 -9.738 -1.434) 9.961 18.365 ( -1.777 -13.954 3.690) 14.542 ======================= Grid point 2012 (689/891) ======================= q-point: ( 0.52 0.52 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.260 ( -0.000 28.706 14.924) 32.354 7.766 ( -0.000 33.289 7.589) 34.143 9.087 ( 0.000 21.767 -4.638) 22.256 10.943 ( 0.000 23.386 -10.397) 25.593 11.600 ( 0.000 -0.769 -3.007) 3.104 12.286 ( -0.000 -3.936 0.769) 4.011 13.446 ( -0.000 19.904 -1.190) 19.939 15.377 ( -0.000 11.215 -0.652) 11.234 15.595 ( -0.000 -19.070 15.896) 24.826 16.739 ( -0.000 37.742 2.111) 37.801 18.940 ( -0.000 -14.191 9.223) 16.925 22.060 ( 0.000 -17.660 -26.154) 31.558 ======================= Grid point 2013 (690/891) ======================= q-point: ( 0.57 0.52 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.595 ( 1.487 27.047 12.868) 29.989 8.190 ( 12.239 25.218 5.894) 28.644 9.428 ( 15.073 26.053 -4.079) 30.374 11.133 ( 1.492 17.136 -5.708) 18.123 11.575 ( -0.475 0.122 -4.169) 4.198 12.361 ( 13.029 -5.153 0.592) 14.023 13.600 ( 0.753 11.909 -2.693) 12.233 15.161 ( -16.841 -10.974 9.707) 22.322 15.729 ( 13.927 -1.079 9.107) 16.675 17.153 ( -0.374 42.868 1.574) 42.898 18.864 ( 0.479 -8.471 6.532) 10.707 21.692 ( -11.234 -19.976 -24.873) 33.822 ======================= Grid point 2014 (691/891) ======================= q-point: ( 0.62 0.52 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.919 ( 2.894 23.157 9.809) 25.315 8.689 ( 19.124 17.922 4.803) 26.646 10.079 ( 28.938 31.154 -4.205) 42.728 11.274 ( 1.445 7.807 0.531) 7.958 11.582 ( 1.041 5.121 -6.321) 8.201 12.593 ( 19.103 -5.736 -0.787) 19.961 13.712 ( 4.510 5.110 -1.181) 6.917 14.807 ( -12.507 -15.480 12.233) 23.361 16.000 ( 11.720 5.795 7.076) 14.866 17.543 ( -4.189 42.505 0.458) 42.714 18.815 ( -0.454 -6.607 5.031) 8.317 21.129 ( -20.817 -22.492 -22.649) 38.107 ======================= Grid point 2015 (692/891) ======================= q-point: ( 0.67 0.52 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.205 ( 3.843 17.304 6.612) 18.919 9.226 ( 23.379 14.716 4.972) 28.068 10.925 ( 31.750 34.397 -6.747) 47.294 11.347 ( 1.872 1.392 3.094) 3.875 11.683 ( 6.230 7.813 -3.990) 10.760 12.825 ( 13.007 -5.006 -2.559) 14.170 13.894 ( 14.755 0.406 2.285) 14.937 14.545 ( -3.390 -17.286 12.180) 21.416 16.284 ( 8.720 12.317 5.451) 16.045 17.831 ( -9.299 39.117 -1.252) 40.227 18.739 ( -2.175 -7.908 4.259) 9.242 20.405 ( -27.870 -25.393 -19.461) 42.430 ======================= Grid point 2016 (693/891) ======================= q-point: ( 0.71 0.52 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.428 ( 4.047 10.855 3.900) 12.224 9.799 ( 25.054 13.682 5.790) 29.128 11.393 ( 0.895 2.676 7.170) 7.705 11.587 ( 8.706 25.938 -16.483) 31.942 12.045 ( 27.482 12.490 2.262) 30.272 12.890 ( 1.062 -3.430 -2.206) 4.215 14.237 ( 21.279 1.734 5.494) 22.045 14.480 ( 16.355 -22.099 9.427) 29.064 16.574 ( 4.471 20.542 4.015) 21.403 17.969 ( -15.465 32.299 -3.522) 35.983 18.607 ( -3.935 -11.434 4.102) 12.769 19.577 ( -30.765 -27.745 -15.257) 44.148 ======================= Grid point 2017 (694/891) ======================= q-point: ( 0.76 0.52 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.583 ( 3.686 5.448 1.869) 6.838 10.363 ( 22.696 12.795 6.075) 26.753 11.470 ( 2.867 2.663 6.169) 7.306 11.818 ( 2.510 18.274 -12.044) 22.030 12.557 ( 12.946 4.958 1.755) 13.973 12.839 ( -3.024 3.758 -2.373) 5.375 14.663 ( 21.708 11.058 7.102) 25.376 14.770 ( 39.954 -26.476 4.033) 48.100 16.860 ( -2.625 31.017 2.899) 31.263 17.859 ( -23.818 10.966 -6.030) 26.906 18.407 ( -5.845 -14.825 3.977) 16.424 18.797 ( -23.779 -20.648 -9.475) 32.887 ======================= Grid point 2034 (695/891) ======================= q-point: ( 0.57 0.57 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.891 ( -0.000 25.081 14.469) 28.955 8.324 ( -0.000 19.858 2.998) 20.083 9.526 ( 0.000 25.001 -2.945) 25.174 11.264 ( 0.000 12.562 -1.304) 12.630 11.577 ( 0.000 3.809 -6.349) 7.404 12.191 ( -0.000 -6.519 1.602) 6.713 13.669 ( 0.000 6.106 -4.207) 7.415 15.238 ( -0.000 -28.919 23.671) 37.372 15.573 ( 0.000 9.232 -1.183) 9.308 17.627 ( -0.000 48.606 1.690) 48.636 18.827 ( -0.000 -2.708 3.086) 4.106 21.497 ( 0.000 -22.318 -24.526) 33.161 ======================= Grid point 2035 (696/891) ======================= q-point: ( 0.62 0.57 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.159 ( -0.807 20.803 12.766) 24.421 8.599 ( 11.462 14.366 2.918) 18.609 9.921 ( 18.458 25.206 -2.862) 31.373 11.348 ( -0.621 4.728 4.467) 6.534 11.622 ( 0.092 10.659 -9.411) 14.220 12.244 ( 12.958 -7.197 1.633) 14.912 13.701 ( 0.709 2.499 -3.228) 4.143 14.898 ( -12.372 -24.279 20.476) 34.085 15.804 ( 14.682 3.802 2.697) 15.404 18.079 ( -4.058 48.184 1.113) 48.367 18.810 ( -1.376 -0.844 1.226) 2.027 21.093 ( -10.957 -24.317 -23.356) 35.452 ======================= Grid point 2036 (697/891) ======================= q-point: ( 0.67 0.57 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.357 ( -0.191 14.106 8.608) 16.527 9.007 ( 19.390 11.661 5.845) 23.369 10.599 ( 33.215 23.516 -4.892) 40.990 11.389 ( -0.276 2.554 7.373) 7.808 11.713 ( 0.375 12.689 -8.798) 15.445 12.468 ( 19.448 -6.553 0.964) 20.545 13.741 ( 3.906 0.228 -0.970) 4.031 14.541 ( -10.000 -21.565 18.333) 30.019 16.124 ( 17.373 3.351 3.752) 18.087 18.426 ( -9.519 45.043 0.112) 46.038 18.757 ( -3.911 -1.896 0.304) 4.357 20.498 ( -20.769 -26.058 -21.378) 39.590 ======================= Grid point 2037 (698/891) ======================= q-point: ( 0.71 0.57 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.491 ( 1.116 7.039 5.422) 8.955 9.513 ( 24.378 10.081 8.419) 27.691 11.337 ( 19.074 9.116 -7.557) 22.451 11.535 ( 18.976 17.053 6.204) 26.257 11.826 ( 3.688 10.004 -5.280) 11.898 12.723 ( 14.487 -4.139 0.415) 15.072 13.858 ( 12.446 -4.694 0.926) 13.334 14.288 ( -2.212 -17.696 16.922) 24.584 16.482 ( 18.349 4.951 3.673) 19.356 18.619 ( -13.033 19.504 1.429) 23.501 18.647 ( -9.987 16.811 -2.546) 19.719 19.746 ( -28.287 -27.634 -18.635) 43.715 ======================= Grid point 2038 (699/891) ======================= q-point: (-0.24 -0.43 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.573 ( 2.432 0.966 3.049) 4.018 10.072 ( 26.201 8.574 10.438) 29.478 11.475 ( 2.286 3.318 4.839) 6.297 11.912 ( 1.555 16.477 -12.822) 20.936 12.300 ( 29.665 11.280 -0.229) 31.738 12.855 ( 4.621 0.061 0.917) 4.712 13.989 ( 18.530 -24.605 5.221) 31.241 14.383 ( 19.733 0.438 11.183) 22.686 16.862 ( 18.389 5.738 3.323) 19.547 18.400 ( -15.385 -7.736 1.458) 17.282 18.670 ( -26.262 37.501 -6.031) 46.177 18.922 ( -24.459 -28.447 -12.695) 39.606 ======================= Grid point 2056 (700/891) ======================= q-point: ( 0.62 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.415 ( -0.000 16.910 16.583) 23.684 8.612 ( -0.000 9.661 -0.812) 9.695 9.976 ( 0.000 21.017 -2.551) 21.171 11.402 ( -0.000 1.770 6.779) 7.007 11.719 ( 0.000 15.177 -10.322) 18.355 12.063 ( -0.000 -7.394 2.693) 7.869 13.709 ( 0.000 1.997 -2.217) 2.984 14.815 ( -0.000 -30.545 25.279) 39.649 15.718 ( 0.000 6.273 -1.330) 6.413 18.588 ( -0.000 46.206 1.162) 46.221 18.829 ( 0.000 1.077 -0.896) 1.401 20.866 ( 0.000 -24.641 -23.338) 33.939 ======================= Grid point 2057 (701/891) ======================= q-point: ( 0.67 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.535 ( -4.050 8.546 9.451) 13.370 8.842 ( 13.908 8.322 6.207) 17.356 10.316 ( 19.456 15.625 -3.603) 25.212 11.443 ( -0.251 2.733 8.179) 8.627 11.833 ( -0.964 15.980 -9.799) 18.770 12.123 ( 13.063 -5.645 3.069) 14.557 13.727 ( 0.011 2.559 -0.146) 2.564 14.528 ( -7.488 -27.500 22.488) 36.304 15.884 ( 12.906 2.840 0.431) 13.222 18.809 ( -2.790 0.252 -2.200) 3.562 18.972 ( -4.724 38.359 1.142) 38.666 20.462 ( -11.531 -21.315 -22.613) 33.146 ======================= Grid point 2058 (702/891) ======================= q-point: (-0.29 -0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.555 ( -1.802 0.825 5.477) 5.825 9.239 ( 20.790 6.263 10.039) 23.921 10.884 ( 33.594 8.353 -6.113) 35.153 11.522 ( 2.065 5.363 10.649) 12.101 11.930 ( -1.539 15.004 -9.629) 17.894 12.385 ( 19.314 -1.694 2.756) 19.583 13.759 ( 0.585 1.875 1.993) 2.799 14.225 ( -5.740 -22.882 18.970) 30.272 16.180 ( 19.035 0.215 1.967) 19.138 18.716 ( -6.177 -2.003 -2.677) 7.024 19.155 ( -7.857 16.537 0.156) 18.309 19.941 ( -24.082 -4.198 -20.465) 31.881 ======================= Grid point 2059 (703/891) ======================= q-point: (-0.24 -0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.532 ( 0.672 -6.141 3.203) 6.959 9.729 ( 25.904 4.377 12.174) 28.955 11.420 ( 16.964 2.827 -2.054) 17.320 11.806 ( 27.690 5.361 5.935) 28.822 12.016 ( -1.034 14.090 -9.984) 17.300 12.693 ( 13.677 0.809 2.188) 13.874 13.738 ( -2.377 -9.399 6.283) 11.553 14.125 ( 9.976 -8.341 13.099) 18.457 16.528 ( 21.468 -2.621 2.456) 21.767 18.540 ( -9.959 -4.341 -2.335) 11.112 18.901 ( -13.892 -28.223 -7.903) 32.435 19.574 ( -31.021 37.959 -10.569) 50.148 ======================= Grid point 2078 (704/891) ======================= q-point: (-0.33 -0.33 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.720 ( 0.000 3.082 -2.631) 4.052 8.740 ( -0.000 3.047 18.495) 18.744 10.248 ( 0.000 7.408 -3.783) 8.318 11.511 ( -0.000 4.709 9.416) 10.527 11.973 ( -0.000 -3.105 4.035) 5.091 11.983 ( 0.000 18.640 -9.941) 21.125 13.769 ( -0.000 4.877 1.923) 5.242 14.386 ( -0.000 -29.693 23.471) 37.849 15.795 ( 0.000 2.414 -1.315) 2.749 18.824 ( 0.000 -0.643 -3.717) 3.772 19.287 ( -0.000 13.580 0.395) 13.586 20.361 ( 0.000 -0.699 -21.583) 21.595 ======================= Grid point 2079 (705/891) ======================= q-point: (-0.29 -0.33 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.614 ( -5.946 -4.615 4.641) 8.842 8.992 ( 16.295 -0.447 10.842) 19.577 10.434 ( 19.631 -1.403 -4.594) 20.210 11.602 ( 0.259 6.455 11.394) 13.098 12.038 ( 4.050 5.552 -1.280) 6.991 12.177 ( 6.405 16.516 -4.942) 18.390 13.822 ( -1.462 5.232 4.378) 6.977 14.137 ( -4.072 -26.373 20.334) 33.550 15.909 ( 11.790 -0.619 -0.299) 11.810 18.764 ( -3.314 -3.080 -4.931) 6.692 19.200 ( -4.242 -21.195 -4.317) 22.042 20.345 ( -12.154 29.928 -15.564) 35.856 ======================= Grid point 2080 (706/891) ======================= q-point: (-0.24 -0.33 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.463 ( -2.979 -13.018 3.500) 13.806 9.358 ( 23.847 -2.207 11.425) 26.534 10.834 ( 34.381 -9.156 -5.406) 35.988 11.722 ( 2.162 5.765 11.964) 13.455 12.159 ( -0.324 14.147 -4.121) 14.738 12.498 ( 13.669 13.412 -2.570) 19.321 13.769 ( -6.109 -12.538 13.005) 19.070 13.987 ( 2.245 -4.834 9.632) 11.008 16.150 ( 18.383 -4.486 0.946) 18.946 18.616 ( -5.938 -7.551 -6.959) 11.862 18.775 ( -10.266 -32.145 -5.715) 34.225 20.375 ( -21.268 40.616 -10.468) 47.027 ======================= Grid point 2100 (707/891) ======================= q-point: (-0.29 -0.29 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.707 ( 0.000 -2.578 -2.768) 3.782 8.748 ( -0.000 -14.946 17.535) 23.041 10.192 ( 0.000 -9.825 -4.304) 10.727 11.702 ( -0.000 6.044 12.022) 13.455 12.016 ( -0.000 4.269 4.376) 6.113 12.359 ( 0.000 28.230 -10.134) 29.994 13.894 ( -0.000 -6.668 13.455) 15.017 13.996 ( -0.000 -14.246 13.444) 19.588 15.791 ( 0.000 -2.012 -1.372) 2.435 18.718 ( 0.000 -9.147 -8.180) 12.271 18.947 ( 0.000 -30.703 -4.547) 31.038 20.750 ( 0.000 39.147 -12.611) 41.128 ======================= Grid point 2101 (708/891) ======================= q-point: (-0.24 -0.29 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.425 ( -9.398 -18.547 5.650) 21.546 8.948 ( 21.093 -10.120 8.418) 24.864 10.218 ( 19.580 -16.247 -4.265) 25.798 11.795 ( 0.208 4.126 10.702) 11.472 12.166 ( 8.674 7.186 4.367) 12.081 12.622 ( -1.053 32.986 -9.844) 34.440 13.710 ( -3.357 -26.268 22.181) 34.544 14.025 ( -0.930 5.996 4.605) 7.618 15.850 ( 10.742 -5.047 -0.741) 11.892 18.448 ( -3.359 -33.377 -10.269) 35.082 18.680 ( -4.283 -12.252 -2.909) 13.301 21.010 ( -10.752 40.366 -11.088) 43.220 ======================= Grid point 2122 (709/891) ======================= q-point: (-0.24 -0.24 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.397 ( -0.000 -31.298 14.942) 34.682 8.577 ( 0.000 -9.666 -1.083) 9.726 9.856 ( 0.000 -20.006 -3.929) 20.388 11.860 ( -0.000 2.462 8.879) 9.214 12.165 ( -0.000 7.239 3.738) 8.147 12.962 ( 0.000 36.863 -14.138) 39.481 13.563 ( -0.000 -24.741 30.589) 39.342 14.103 ( -0.000 3.912 3.564) 5.292 15.697 ( 0.000 -6.447 -1.594) 6.641 18.092 ( 0.000 -37.154 -7.318) 37.868 18.591 ( 0.000 -11.117 -4.908) 12.152 21.453 ( 0.000 39.046 -11.570) 40.724 ======================= Grid point 2321 (710/891) ======================= q-point: ( 0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 891 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -0.000 0.000 36.356) 36.356 2.117 ( -0.000 0.000 36.356) 36.356 4.195 ( -0.000 0.000 73.506) 73.506 7.535 ( 0.000 -0.000 -8.660) 8.660 7.535 ( 0.000 -0.000 -8.660) 8.660 12.452 ( 0.000 -0.000 -1.503) 1.503 12.452 ( 0.000 -0.000 -1.503) 1.503 14.144 ( -0.000 -0.000 1.534) 1.534 14.144 ( -0.000 0.000 1.534) 1.534 16.874 ( 0.000 -0.000 -42.459) 42.459 20.420 ( -0.000 0.000 20.866) 20.866 24.822 ( 0.000 -0.000 -1.327) 1.327 ======================= Grid point 2322 (711/891) ======================= q-point: ( 0.29 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( 49.558 28.612 29.317) 64.297 2.831 ( 35.053 20.238 28.102) 49.274 4.491 ( 6.562 3.788 65.605) 66.041 7.534 ( 2.875 1.660 -9.326) 9.899 7.770 ( 21.630 12.488 -11.031) 27.304 12.444 ( 0.036 0.021 -1.637) 1.637 12.578 ( 9.623 5.556 -0.173) 11.113 13.955 ( -9.147 -5.281 8.657) 13.657 14.209 ( 3.876 2.238 1.649) 4.770 16.923 ( 12.211 7.050 -45.547) 47.679 20.647 ( 11.828 6.829 13.334) 19.088 24.592 ( -19.396 -11.198 -1.217) 22.429 ======================= Grid point 2323 (712/891) ======================= q-point: ( 0.33 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.803 ( 42.390 24.474 19.269) 52.604 3.982 ( 40.043 23.119 34.070) 57.434 5.121 ( 40.141 23.175 39.036) 60.598 7.598 ( 5.436 3.138 -9.491) 11.378 8.372 ( 33.823 19.528 -12.420) 40.983 12.445 ( 0.634 0.366 -2.111) 2.234 12.782 ( 5.495 3.172 5.322) 8.281 13.990 ( 10.840 6.258 8.014) 14.863 14.325 ( 5.677 3.278 1.895) 6.824 16.998 ( 7.000 4.042 -42.054) 42.824 20.925 ( 7.931 4.579 7.895) 12.091 23.983 ( -32.356 -18.681 -3.702) 37.544 ======================= Grid point 2324 (713/891) ======================= q-point: ( 0.38 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.739 ( 22.563 13.027 37.811) 45.918 4.846 ( 44.480 25.681 12.118) 52.772 6.514 ( 66.829 38.584 15.014) 78.614 7.711 ( 7.120 4.111 -8.828) 12.064 9.187 ( 41.106 23.733 -10.873) 48.695 12.459 ( 1.240 0.716 -2.707) 3.062 12.840 ( -1.886 -1.089 9.361) 9.611 14.431 ( 23.938 13.821 0.783) 27.652 14.475 ( 6.919 3.995 2.143) 8.272 16.974 ( 2.721 1.571 -33.087) 33.236 21.023 ( -2.902 -1.675 13.826) 14.226 23.159 ( -36.688 -21.182 -12.073) 44.051 ======================= Grid point 2325 (714/891) ======================= q-point: ( 0.43 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.408 ( 27.600 15.935 27.255) 41.935 5.883 ( 43.950 25.374 6.233) 51.130 7.857 ( 8.024 4.633 -6.948) 11.581 8.034 ( 61.665 35.602 6.554) 71.506 10.149 ( 46.381 26.778 -8.394) 54.211 12.479 ( 1.354 0.782 -3.206) 3.567 12.787 ( -4.970 -2.869 8.050) 9.886 14.651 ( 7.939 4.583 2.306) 9.453 14.977 ( 23.501 13.568 -5.486) 27.685 16.927 ( 1.916 1.106 -22.712) 22.820 20.863 ( -18.480 -10.670 29.159) 36.133 22.313 ( -30.251 -17.465 -25.861) 43.462 ======================= Grid point 2326 (715/891) ======================= q-point: ( 0.48 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.172 ( 33.013 19.060 15.929) 41.315 6.867 ( 41.532 23.978 0.791) 47.963 8.026 ( 8.439 4.872 -3.232) 10.267 9.291 ( 47.625 27.496 0.881) 54.999 11.195 ( 46.446 26.816 -8.256) 54.263 12.492 ( 0.592 0.342 -3.468) 3.535 12.688 ( -4.941 -2.853 5.494) 7.921 14.850 ( 8.901 5.139 2.342) 10.541 15.431 ( 18.786 10.846 -7.388) 22.915 16.922 ( 3.202 1.849 -15.311) 15.751 20.355 ( -34.928 -20.166 35.276) 53.582 21.692 ( -16.340 -9.434 -28.231) 33.956 ======================= Grid point 2327 (716/891) ======================= q-point: ( 0.52 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.989 ( 35.277 20.367 5.888) 41.158 7.745 ( 35.434 20.458 -7.268) 41.556 8.232 ( 10.632 6.139 5.091) 13.291 10.205 ( 33.776 19.501 -2.391) 39.074 11.989 ( 19.510 11.264 -17.486) 28.518 12.476 ( -1.061 -0.613 -3.489) 3.698 12.731 ( 12.462 7.195 9.294) 17.130 15.068 ( 9.592 5.538 2.245) 11.301 15.831 ( 19.510 11.264 -2.044) 22.621 16.942 ( 1.964 1.134 -14.266) 14.445 19.630 ( -35.097 -20.263 24.977) 47.605 21.321 ( -11.811 -6.819 -13.619) 19.274 ======================= Grid point 2328 (717/891) ======================= q-point: ( 0.57 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.786 ( 34.088 19.680 -3.002) 39.475 8.256 ( 12.798 7.389 -9.929) 17.804 8.699 ( 27.662 15.971 9.560) 33.342 10.831 ( 22.743 13.130 -2.894) 26.420 12.008 ( -4.597 -2.654 -18.285) 19.039 12.417 ( -3.204 -1.850 -3.421) 5.039 13.205 ( 19.113 11.035 5.121) 22.656 15.294 ( 9.515 5.493 2.045) 11.176 16.302 ( 16.722 9.654 -0.570) 19.317 16.926 ( 5.492 3.171 -10.511) 12.276 19.038 ( -21.546 -12.440 15.340) 29.228 21.014 ( -13.896 -8.023 -0.596) 16.057 ======================= Grid point 2329 (718/891) ======================= q-point: ( 0.62 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.447 ( 7.172 4.141 -2.516) 8.656 8.486 ( 29.073 16.786 -11.236) 35.402 9.348 ( 25.821 14.908 4.894) 30.215 11.234 ( 13.546 7.821 -0.249) 15.643 11.827 ( -4.542 -2.622 -16.390) 17.209 12.310 ( -5.100 -2.945 -3.527) 6.865 13.528 ( 9.210 5.317 1.564) 10.749 15.504 ( 8.244 4.760 1.805) 9.689 16.180 ( -18.950 -10.941 -18.239) 28.486 17.489 ( 38.129 22.014 9.064) 44.951 18.772 ( -6.486 -3.745 8.847) 11.592 20.666 ( -18.127 -10.466 7.693) 22.301 ======================= Grid point 2330 (719/891) ======================= q-point: ( 0.67 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.579 ( 4.685 2.705 1.159) 5.532 8.988 ( 18.563 10.717 -18.584) 28.369 9.867 ( 18.053 10.423 4.155) 21.256 11.458 ( 6.555 3.785 5.352) 9.270 11.754 ( 3.181 1.837 -13.933) 14.410 12.173 ( -5.448 -3.146 -4.011) 7.461 13.689 ( 6.065 3.502 -1.142) 7.096 15.571 ( -26.550 -15.328 -22.418) 37.979 15.670 ( 5.705 3.294 1.595) 6.778 18.435 ( 36.521 21.085 13.653) 44.325 18.756 ( 4.751 2.743 3.423) 6.467 20.241 ( -22.070 -12.742 12.970) 28.594 ======================= Grid point 2331 (720/891) ======================= q-point: ( 0.71 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.663 ( 1.976 1.141 2.892) 3.684 9.158 ( 1.907 1.101 -21.922) 22.032 10.162 ( 5.960 3.441 4.485) 8.215 11.663 ( 11.276 6.510 0.952) 13.056 11.847 ( 7.651 4.418 -2.571) 9.202 12.063 ( -2.268 -1.309 -4.617) 5.308 13.828 ( 7.189 4.151 -3.735) 9.103 14.878 ( -27.022 -15.601 -24.409) 39.615 15.766 ( 2.193 1.266 1.474) 2.930 18.703 ( -1.423 -0.822 8.929) 9.079 19.283 ( 9.829 5.675 0.710) 11.371 19.915 ( 3.406 1.966 20.880) 21.247 ======================= Grid point 2332 (721/891) ======================= q-point: (-0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.678 ( -1.840 -1.062 2.897) 3.592 8.936 ( -14.643 -8.454 -19.500) 25.809 10.148 ( -8.300 -4.792 4.329) 10.516 11.825 ( 4.651 2.686 -12.089) 13.228 12.061 ( 3.423 1.976 -4.467) 5.965 12.240 ( 24.999 14.433 13.224) 31.752 13.984 ( 7.471 4.313 -6.135) 10.586 14.199 ( -25.262 -14.585 -24.856) 38.324 15.776 ( -1.766 -1.020 1.474) 2.517 18.621 ( -11.165 -6.446 10.849) 16.850 18.912 ( -24.236 -13.992 2.371) 28.085 20.608 ( 36.042 20.809 15.238) 44.320 ======================= Grid point 2343 (722/891) ======================= q-point: ( 0.29 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( -0.000 16.028 32.459) 36.201 3.298 ( -0.000 65.033 29.184) 71.281 4.733 ( -0.000 10.449 60.625) 61.519 7.533 ( 0.000 5.196 -8.406) 9.883 7.696 ( 0.000 21.717 -11.609) 24.625 12.444 ( 0.000 -0.105 -1.789) 1.792 12.596 ( -0.000 15.789 -0.583) 15.800 13.930 ( -0.000 -21.501 9.159) 23.370 14.162 ( -0.000 2.358 1.838) 2.990 16.789 ( 0.000 15.190 -43.975) 46.524 20.700 ( -0.000 12.968 13.041) 18.391 24.620 ( 0.000 -17.720 -2.075) 17.841 ======================= Grid point 2344 (723/891) ======================= q-point: ( 0.33 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( 47.254 21.096 23.808) 56.963 4.115 ( 12.365 46.673 36.410) 60.473 5.173 ( 10.745 36.271 38.315) 53.843 7.580 ( 1.475 9.009 -8.475) 12.457 8.082 ( 20.012 26.369 -12.385) 35.345 12.443 ( 0.545 0.610 -1.799) 1.976 12.818 ( 2.957 18.104 1.988) 18.451 13.788 ( 6.871 -17.201 10.454) 21.268 14.273 ( 6.953 5.200 1.959) 8.901 16.822 ( 4.236 10.012 -41.419) 42.822 20.904 ( 4.723 8.864 8.765) 13.330 24.236 ( -19.985 -22.014 -3.889) 29.986 ======================= Grid point 2345 (724/891) ======================= q-point: ( 0.38 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.271 ( 50.664 23.375 15.206) 57.831 4.754 ( 13.167 17.928 42.638) 48.092 6.165 ( 35.564 59.715 12.855) 70.682 7.714 ( 3.342 16.090 -6.630) 17.721 8.760 ( 32.563 27.371 -11.809) 44.147 12.459 ( 0.391 2.011 -1.782) 2.716 12.965 ( -4.734 10.487 7.590) 13.784 13.948 ( 23.587 -11.410 3.673) 26.458 14.510 ( 9.720 13.416 1.267) 16.616 16.829 ( 3.512 4.246 -34.250) 34.691 21.042 ( 2.158 -0.710 10.422) 10.667 23.531 ( -33.331 -22.140 -8.734) 40.956 ======================= Grid point 2346 (725/891) ======================= q-point: ( 0.43 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.224 ( 25.123 15.824 25.978) 39.451 5.467 ( 39.270 28.904 15.209) 51.077 7.346 ( 37.979 28.249 -2.666) 47.408 8.058 ( 11.820 43.159 2.293) 44.807 9.627 ( 41.750 27.408 -9.916) 50.917 12.477 ( -0.141 1.968 -1.711) 2.611 12.949 ( -8.762 6.347 7.896) 13.394 14.278 ( 25.492 -11.416 0.321) 27.933 14.868 ( 12.788 19.089 -2.700) 23.135 16.812 ( 3.324 1.569 -24.520) 24.794 21.016 ( -4.699 -12.109 20.994) 24.687 22.669 ( -37.779 -17.351 -18.705) 45.587 ======================= Grid point 2347 (726/891) ======================= q-point: ( 0.48 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.890 ( 27.525 17.079 19.343) 37.729 6.491 ( 38.322 34.178 3.786) 51.488 7.861 ( 15.639 6.102 -6.697) 18.074 9.002 ( 30.650 51.103 4.274) 59.743 10.632 ( 47.129 27.468 -8.334) 55.182 12.475 ( -0.516 -0.392 -1.219) 1.381 12.872 ( -10.306 7.879 4.406) 13.701 14.579 ( 21.385 -8.461 0.905) 23.016 15.254 ( 13.978 15.171 -6.917) 21.758 16.822 ( 4.196 1.505 -16.089) 16.695 20.738 ( -19.930 -24.209 34.595) 46.691 21.878 ( -27.975 -7.748 -29.123) 41.119 ======================= Grid point 2348 (727/891) ======================= q-point: ( 0.52 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.622 ( 32.012 18.067 9.088) 37.866 7.437 ( 31.720 35.549 -3.628) 47.782 8.139 ( 11.683 8.955 -0.077) 14.721 9.930 ( 27.168 34.570 0.013) 43.968 11.597 ( 36.687 19.323 -12.489) 43.305 12.462 ( 1.402 -0.137 0.120) 1.414 12.819 ( -7.052 12.468 3.468) 14.738 14.852 ( 17.858 -4.611 1.640) 18.516 15.607 ( 16.658 10.156 -5.102) 20.166 16.864 ( 3.649 1.973 -13.035) 13.679 20.107 ( -34.467 -24.868 27.041) 50.374 21.406 ( -12.931 -5.725 -17.377) 22.404 ======================= Grid point 2349 (728/891) ======================= q-point: ( 0.57 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.367 ( 33.167 16.060 0.191) 36.851 8.154 ( 15.301 27.427 -12.897) 33.952 8.531 ( 19.817 20.257 10.268) 30.141 10.610 ( 21.073 22.084 -1.810) 30.578 11.939 ( 3.256 -1.909 -17.415) 17.819 12.518 ( -3.621 7.400 -3.230) 8.849 13.049 ( 14.619 16.771 7.264) 23.404 15.102 ( 15.147 -2.991 1.595) 15.521 16.036 ( 23.529 9.208 -0.390) 25.269 16.875 ( 0.750 2.675 -12.781) 13.080 19.399 ( -30.349 -15.791 14.756) 37.258 21.117 ( -9.821 -10.390 -1.130) 14.341 ======================= Grid point 2350 (729/891) ======================= q-point: ( 0.62 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.025 ( 28.973 9.491 -5.768) 31.029 8.506 ( 6.808 22.516 -8.508) 25.014 9.188 ( 21.325 28.508 6.283) 36.151 11.084 ( 15.128 13.495 -0.969) 20.296 11.813 ( -3.983 -4.447 -15.758) 16.851 12.454 ( -9.666 7.257 -3.559) 12.600 13.439 ( 10.384 9.978 3.649) 14.856 15.305 ( 12.711 -5.961 0.301) 14.042 16.320 ( -4.222 0.558 -12.744) 13.437 17.107 ( 28.266 15.720 2.673) 32.454 18.933 ( -15.583 -6.583 8.207) 18.802 20.824 ( -12.143 -15.043 8.625) 21.169 ======================= Grid point 2351 (730/891) ======================= q-point: ( 0.67 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.443 ( 15.024 2.830 -3.480) 15.679 8.844 ( 10.254 22.643 -13.394) 28.236 9.793 ( 14.676 27.129 4.889) 31.230 11.395 ( 9.063 7.343 3.556) 12.195 11.684 ( -0.280 -0.791 -14.566) 14.591 12.329 ( -11.418 6.882 -3.523) 13.789 13.634 ( 4.654 4.759 0.808) 6.705 15.349 ( 4.063 -18.924 -6.940) 20.562 16.039 ( -19.404 9.582 -13.299) 25.400 17.971 ( 43.786 19.578 9.346) 48.866 18.766 ( -3.210 -2.155 5.118) 6.414 20.455 ( -16.123 -19.032 13.959) 28.584 ======================= Grid point 2352 (731/891) ======================= q-point: ( 0.71 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.620 ( 5.305 1.015 -0.191) 5.405 9.116 ( 3.998 15.383 -18.780) 24.603 10.225 ( 4.298 22.878 5.128) 23.837 11.574 ( 5.931 4.466 1.876) 7.658 11.737 ( 8.237 4.072 -6.315) 11.150 12.196 ( -10.453 8.083 -3.933) 13.786 13.745 ( 5.077 3.145 -1.972) 6.290 14.963 ( -15.388 -24.163 -19.390) 34.592 15.914 ( -8.914 14.986 -3.003) 17.694 18.711 ( 3.350 -0.838 8.666) 9.328 18.957 ( 36.180 14.805 2.560) 39.175 20.022 ( -15.117 -20.268 18.551) 31.360 ======================= Grid point 2353 (732/891) ======================= q-point: (-0.24 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.641 ( -0.806 -5.621 -1.036) 5.772 9.131 ( -9.934 11.335 -16.405) 22.278 10.386 ( -10.630 15.930 4.965) 19.784 11.720 ( 6.579 4.364 -11.813) 14.208 11.990 ( 14.040 5.824 7.768) 17.070 12.159 ( -1.152 13.456 -1.144) 13.553 13.869 ( 7.317 2.686 -4.908) 9.211 14.351 ( -21.321 -19.360 -21.872) 36.163 15.908 ( -7.464 10.780 -0.193) 13.113 18.702 ( -2.305 -4.783 7.379) 9.090 19.158 ( -18.866 -16.248 3.701) 25.172 20.179 ( 36.583 7.912 17.119) 41.158 ======================= Grid point 2365 (733/891) ======================= q-point: ( 0.33 0.33 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.077 ( -0.000 35.995 25.098) 43.881 4.537 ( -0.000 25.306 48.455) 54.665 5.667 ( -0.000 64.272 17.489) 66.609 7.627 ( 0.000 9.827 -7.783) 12.536 8.173 ( 0.000 34.010 -11.812) 36.003 12.422 ( 0.000 -0.677 -2.152) 2.256 13.044 ( -0.000 28.548 1.349) 28.580 13.560 ( -0.000 -22.686 13.324) 26.309 14.263 ( -0.000 6.453 2.399) 6.885 16.755 ( 0.000 8.887 -37.829) 38.858 20.975 ( -0.000 5.377 8.719) 10.244 24.161 ( 0.000 -24.454 -7.362) 25.538 ======================= Grid point 2366 (734/891) ======================= q-point: ( 0.38 0.33 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.855 ( 34.752 37.021 19.228) 54.295 4.908 ( 4.810 11.254 48.496) 50.016 6.498 ( 9.067 75.628 2.229) 76.203 7.785 ( 7.561 17.904 -5.322) 20.151 8.610 ( 14.665 34.893 -10.925) 39.395 12.437 ( 2.709 0.064 -1.741) 3.221 13.262 ( -8.221 17.994 8.386) 21.487 13.511 ( 13.480 -10.762 5.254) 18.032 14.446 ( 10.618 10.608 1.931) 15.133 16.719 ( 1.607 4.588 -31.725) 32.096 21.028 ( 1.002 -4.354 10.902) 11.782 23.726 ( -18.632 -23.225 -12.095) 32.138 ======================= Grid point 2367 (735/891) ======================= q-point: ( 0.43 0.33 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.941 ( 40.291 33.795 12.431) 54.037 5.322 ( 15.578 14.657 38.837) 44.337 7.277 ( 10.416 44.084 -9.704) 46.325 8.310 ( 16.648 50.539 3.686) 53.338 9.259 ( 28.051 30.638 -10.698) 42.895 12.480 ( 1.581 0.598 -0.616) 1.799 13.239 ( -9.306 7.748 9.423) 15.344 13.757 ( 19.664 -4.372 -0.068) 20.145 14.802 ( 14.123 15.485 -1.029) 20.983 16.693 ( 2.922 1.644 -23.321) 23.561 20.981 ( -0.651 -16.154 18.048) 24.230 23.037 ( -31.096 -17.803 -18.834) 40.480 ======================= Grid point 2368 (736/891) ======================= q-point: ( 0.48 0.33 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.714 ( 21.194 18.487 19.333) 34.128 6.204 ( 40.400 35.720 14.639) 55.879 7.705 ( 10.404 21.073 -12.335) 26.542 9.207 ( 15.836 61.489 5.276) 63.714 10.105 ( 41.931 27.730 -9.826) 51.223 12.483 ( -0.900 -1.174 0.610) 1.600 13.193 ( -11.056 13.560 4.641) 18.101 14.066 ( 24.275 -8.844 -0.101) 25.836 15.166 ( 11.821 14.039 -5.105) 19.049 16.706 ( 4.723 1.215 -14.948) 15.723 20.797 ( -5.917 -27.490 28.968) 40.371 22.254 ( -34.271 -9.046 -26.824) 44.451 ======================= Grid point 2369 (737/891) ======================= q-point: ( 0.52 0.33 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.343 ( 25.531 18.762 11.716) 33.780 7.272 ( 35.380 41.172 6.111) 54.628 8.029 ( 11.110 16.494 -8.939) 21.804 9.991 ( 13.106 45.823 1.520) 47.685 11.088 ( 42.628 24.349 -10.151) 50.130 12.452 ( -0.433 -0.996 1.885) 2.175 13.164 ( -12.427 19.533 1.401) 23.194 14.402 ( 25.386 -9.413 0.607) 27.082 15.447 ( 11.175 8.926 -5.613) 15.364 16.769 ( 5.187 2.318 -10.608) 12.034 20.401 ( -18.996 -31.431 31.567) 48.428 21.592 ( -24.111 -4.037 -25.339) 35.209 ======================= Grid point 2370 (738/891) ======================= q-point: ( 0.57 0.33 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.012 ( 28.254 17.833 3.571) 33.601 8.192 ( 17.490 43.077 -9.196) 47.393 8.404 ( 20.943 17.891 5.728) 28.133 10.580 ( 12.134 31.023 -0.884) 33.324 11.731 ( 16.341 4.487 -15.287) 22.822 12.552 ( 7.464 8.246 2.499) 11.400 13.203 ( -6.452 24.030 2.546) 25.011 14.732 ( 22.422 -7.917 1.118) 23.805 15.739 ( 18.084 5.499 -2.372) 19.050 16.838 ( 3.137 3.841 -9.909) 11.081 19.795 ( -28.585 -21.623 18.281) 40.235 21.173 ( -12.192 -10.374 -8.221) 17.996 ======================= Grid point 2371 (739/891) ======================= q-point: ( 0.62 0.33 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.650 ( 27.019 14.477 -2.482) 30.753 8.611 ( 5.879 26.979 -10.697) 29.612 9.165 ( 23.620 36.816 7.562) 44.390 11.018 ( 10.596 20.150 -1.517) 22.817 11.763 ( -0.632 -3.864 -14.388) 14.912 12.681 ( -5.083 9.956 -1.869) 11.333 13.451 ( 4.452 20.367 3.645) 21.164 14.987 ( 16.087 -8.687 0.043) 18.283 16.147 ( 21.470 3.412 -3.629) 22.040 16.931 ( 7.882 9.648 -5.100) 13.462 19.221 ( -23.731 -10.349 7.711) 27.013 20.858 ( -9.089 -18.231 5.703) 21.154 ======================= Grid point 2372 (740/891) ======================= q-point: ( 0.67 0.33 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.168 ( 20.880 9.495 -5.047) 23.486 8.929 ( 5.004 26.165 -10.703) 28.709 9.892 ( 15.383 37.971 6.832) 41.534 11.338 ( 8.874 12.627 -0.112) 15.434 11.650 ( -2.388 -1.843 -12.706) 13.060 12.621 ( -11.709 10.819 -2.289) 16.106 13.661 ( 0.485 11.339 1.619) 11.464 15.071 ( 6.813 -14.758 -4.730) 16.929 16.302 ( -4.176 6.858 -11.359) 13.910 17.458 ( 37.218 15.301 6.213) 40.717 18.869 ( -11.440 -4.519 3.706) 12.847 20.516 ( -10.951 -24.112 12.979) 29.492 ======================= Grid point 2373 (741/891) ======================= q-point: ( 0.71 0.33 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.495 ( 11.160 4.485 -4.397) 12.806 9.204 ( 2.413 23.966 -13.623) 27.673 10.465 ( 5.750 36.011 7.849) 37.302 11.566 ( 2.304 6.860 2.211) 7.566 11.613 ( 6.855 3.535 -10.552) 13.070 12.507 ( -13.604 12.456 -2.611) 18.629 13.734 ( -0.607 5.767 -0.481) 5.819 14.865 ( -6.793 -20.395 -12.971) 25.107 16.237 ( -10.402 15.727 -7.575) 20.321 18.357 ( 45.126 13.550 7.731) 47.746 18.736 ( -1.550 -3.964 2.577) 4.975 20.094 ( -13.877 -28.422 16.656) 35.746 ======================= Grid point 2374 (742/891) ======================= q-point: (-0.24 0.33 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.601 ( 0.955 -1.542 -3.662) 4.086 9.362 ( -4.794 20.999 -14.126) 25.758 10.815 ( -8.000 31.747 7.492) 33.585 11.634 ( 4.007 5.980 -11.086) 13.218 11.844 ( 12.108 5.570 7.169) 15.133 12.414 ( -10.900 15.434 -3.019) 19.134 13.784 ( 2.802 2.391 -3.007) 4.756 14.411 ( -16.021 -18.179 -17.799) 30.065 16.207 ( -10.889 16.936 -3.297) 20.403 18.680 ( 0.421 -6.084 4.764) 7.739 19.152 ( 16.853 0.437 0.682) 16.873 19.730 ( 10.757 -20.744 20.994) 31.413 ======================= Grid point 2387 (743/891) ======================= q-point: ( 0.38 0.38 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.031 ( -0.000 44.613 20.038) 48.907 5.122 ( -0.000 8.742 45.721) 46.549 7.248 ( -0.000 84.465 -5.061) 84.617 7.809 ( 0.000 13.643 -7.121) 15.390 8.852 ( 0.000 41.491 -6.770) 42.040 12.393 ( 0.000 -0.731 -2.032) 2.160 13.225 ( -0.000 -20.266 13.440) 24.318 13.692 ( -0.000 34.930 1.374) 34.957 14.440 ( -0.000 9.619 2.536) 9.948 16.643 ( 0.000 2.375 -26.764) 26.869 20.978 ( -0.000 -13.196 13.301) 18.737 23.612 ( 0.000 -21.743 -17.489) 27.904 ======================= Grid point 2388 (744/891) ======================= q-point: ( 0.43 0.38 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.779 ( 26.090 43.848 16.080) 53.497 5.406 ( 5.926 11.989 38.317) 40.583 7.690 ( -10.892 38.419 -11.729) 41.620 8.426 ( 28.836 56.626 -4.956) 63.738 9.308 ( 5.956 42.520 -3.878) 43.110 12.424 ( 4.139 -0.281 -1.272) 4.339 13.147 ( 8.091 -17.737 11.036) 22.402 13.904 ( -11.932 29.197 1.369) 31.571 14.702 ( 14.126 14.381 0.778) 20.173 16.590 ( 1.765 0.254 -19.787) 19.867 20.851 ( 0.107 -23.723 18.144) 29.867 23.205 ( -16.466 -16.995 -22.978) 32.984 ======================= Grid point 2389 (745/891) ======================= q-point: ( 0.48 0.38 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.659 ( 18.650 27.272 15.166) 36.354 5.961 ( 31.688 30.732 25.420) 50.938 7.855 ( -2.113 28.730 -13.218) 31.696 9.522 ( 31.434 59.979 -4.360) 67.857 9.833 ( 10.844 37.137 -3.571) 38.853 12.472 ( 1.398 -1.185 0.640) 1.942 13.241 ( 15.040 -9.294 6.601) 18.872 13.947 ( -10.072 19.896 0.701) 22.311 15.086 ( 12.322 14.500 -2.978) 19.260 16.588 ( 4.493 0.059 -12.065) 12.875 20.641 ( -0.680 -32.515 24.810) 40.905 22.604 ( -27.229 -10.383 -27.570) 40.117 ======================= Grid point 2390 (746/891) ======================= q-point: ( 0.52 0.38 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.213 ( 17.734 21.438 13.311) 30.842 7.036 ( 40.718 37.819 14.682) 57.479 8.099 ( 2.888 28.477 -13.716) 31.740 10.323 ( 4.187 42.768 0.679) 42.978 10.613 ( 39.248 34.835 -9.633) 53.355 12.463 ( -0.697 -0.343 2.198) 2.331 13.474 ( 7.846 9.447 2.900) 12.618 14.003 ( 3.792 5.168 0.068) 6.410 15.357 ( 7.861 8.960 -4.513) 12.746 16.662 ( 6.406 1.981 -7.201) 9.839 20.355 ( -4.276 -36.087 29.378) 46.729 21.935 ( -29.851 -5.453 -28.397) 41.560 ======================= Grid point 2391 (747/891) ======================= q-point: ( 0.57 0.38 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.794 ( 21.635 21.101 6.461) 30.904 8.111 ( 37.369 32.888 12.253) 51.266 8.421 ( 5.012 35.036 -14.212) 38.139 10.768 ( 4.810 32.333 -0.696) 32.697 11.399 ( 25.256 13.655 -12.114) 31.162 12.529 ( 4.889 8.366 3.575) 10.328 13.642 ( -10.058 28.147 0.629) 29.896 14.231 ( 24.139 -8.269 1.136) 25.541 15.538 ( 9.346 3.288 -2.578) 10.237 16.777 ( 5.602 4.485 -6.227) 9.501 19.976 ( -12.741 -30.322 24.664) 41.111 21.332 ( -23.153 -7.773 -19.916) 31.514 ======================= Grid point 2392 (748/891) ======================= q-point: ( 0.62 0.38 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.385 ( 22.740 18.933 0.750) 29.599 8.722 ( 9.404 23.938 -7.546) 26.803 9.147 ( 26.635 45.250 5.050) 52.749 11.115 ( 3.933 24.131 -1.737) 24.511 11.647 ( 6.182 -1.588 -12.372) 13.922 12.761 ( 5.408 10.168 1.866) 11.667 13.756 ( -8.865 29.734 -0.145) 31.027 14.589 ( 22.669 -6.098 2.115) 23.570 15.778 ( 19.333 -0.385 -1.522) 19.396 16.903 ( 5.058 8.160 -4.966) 10.809 19.513 ( -19.998 -17.526 11.880) 29.124 20.862 ( -13.626 -17.378 -4.042) 22.450 ======================= Grid point 2393 (749/891) ======================= q-point: ( 0.67 0.38 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.920 ( 20.313 14.908 -3.047) 25.381 9.074 ( 5.891 27.230 -9.447) 29.418 10.005 ( 21.014 41.432 8.039) 47.147 11.366 ( 3.621 15.830 -3.722) 16.660 11.634 ( -0.363 1.018 -9.592) 9.653 12.849 ( -4.328 6.940 0.466) 8.192 13.891 ( -7.141 22.827 -1.087) 23.943 14.810 ( 9.171 -7.204 -0.336) 11.666 16.154 ( 22.239 1.167 -5.172) 22.862 17.148 ( 16.045 12.497 0.954) 20.360 19.081 ( -17.918 -7.944 2.853) 19.807 20.465 ( -9.464 -26.635 8.154) 29.419 ======================= Grid point 2394 (750/891) ======================= q-point: ( 0.71 0.38 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.326 ( 14.303 9.528 -4.797) 17.843 9.384 ( 2.465 27.680 -10.630) 29.753 10.717 ( 12.951 37.347 12.019) 41.316 11.510 ( 4.742 3.975 -10.225) 11.952 11.661 ( -1.485 13.821 -2.624) 14.146 12.804 ( -8.367 7.461 -0.221) 11.212 13.928 ( -10.297 16.264 -1.398) 19.301 14.746 ( -3.483 -12.255 -7.267) 14.667 16.421 ( 4.889 11.160 -7.765) 14.448 17.755 ( 38.742 10.075 6.436) 40.545 18.787 ( -9.528 -5.683 0.445) 11.103 20.047 ( -10.289 -32.774 14.021) 37.103 ======================= Grid point 2395 (751/891) ======================= q-point: ( 0.76 0.38 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.543 ( 5.278 3.444 -4.756) 7.895 9.615 ( -2.516 26.540 -11.744) 29.131 11.226 ( 2.231 28.065 13.406) 31.182 11.622 ( 6.629 10.711 -10.015) 16.093 11.797 ( 0.669 14.214 0.579) 14.242 12.732 ( -9.552 10.314 -1.403) 14.127 13.871 ( -9.968 9.018 -1.716) 13.551 14.445 ( -12.040 -11.388 -14.007) 21.699 16.527 ( -6.101 17.946 -5.271) 19.674 18.596 ( 39.895 5.233 6.599) 40.775 18.634 ( 3.938 -6.999 -0.422) 8.042 19.564 ( -11.643 -36.670 16.768) 41.969 ======================= Grid point 2409 (752/891) ======================= q-point: ( 0.43 0.43 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.065 ( -0.000 47.462 17.054) 50.433 5.605 ( -0.000 14.537 32.813) 35.889 8.058 ( 0.000 16.223 -6.726) 17.562 8.713 ( 0.000 68.542 -17.250) 70.679 9.744 ( -0.000 52.156 2.032) 52.195 12.370 ( 0.000 -0.407 -1.288) 1.350 12.947 ( -0.000 -15.841 10.628) 19.076 14.395 ( -0.000 34.780 1.519) 34.813 14.664 ( -0.000 11.437 1.958) 11.603 16.508 ( 0.000 -1.598 -14.395) 14.483 20.638 ( -0.000 -31.856 19.662) 37.435 23.105 ( 0.000 -14.387 -27.168) 30.742 ======================= Grid point 2410 (753/891) ======================= q-point: ( 0.48 0.43 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.741 ( 14.887 40.940 14.005) 45.758 5.949 ( 12.189 23.444 26.988) 37.770 8.150 ( -4.482 22.405 -9.146) 24.612 9.459 ( 22.147 48.179 -16.292) 55.472 10.291 ( 0.181 55.664 2.967) 55.744 12.413 ( 4.436 -0.144 -0.470) 4.463 12.914 ( 9.185 -11.406 8.418) 16.892 14.458 ( -18.070 25.016 1.885) 30.917 15.019 ( 13.317 17.908 -0.656) 22.327 16.477 ( 3.338 -2.068 -7.801) 8.734 20.371 ( 0.750 -37.401 22.179) 43.489 22.759 ( -14.153 -10.798 -29.702) 34.628 ======================= Grid point 2411 (754/891) ======================= q-point: ( 0.52 0.43 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.252 ( 9.900 24.774 14.165) 30.206 6.809 ( 34.293 38.486 17.130) 54.320 8.327 ( 0.354 28.523 -11.535) 30.769 10.220 ( 27.004 28.646 -11.207) 40.931 10.835 ( 1.635 49.517 -0.387) 49.545 12.476 ( 1.723 2.711 1.029) 3.373 13.126 ( 22.065 -4.703 5.282) 23.171 14.385 ( -18.260 22.411 0.712) 28.917 15.330 ( 5.997 12.399 -2.205) 13.948 16.542 ( 7.205 0.598 -2.906) 7.792 20.093 ( 1.391 -38.451 24.474) 45.600 22.238 ( -23.689 -8.024 -29.648) 38.789 ======================= Grid point 2412 (755/891) ======================= q-point: ( 0.57 0.43 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.738 ( 14.228 24.480 8.748) 29.634 7.829 ( 36.329 31.947 13.499) 50.226 8.655 ( 5.772 37.536 -12.524) 39.989 10.833 ( 20.453 19.123 -4.927) 28.430 11.267 ( 5.254 25.915 -5.969) 27.108 12.579 ( 2.566 12.056 1.314) 12.396 13.572 ( 29.571 1.026 4.163) 29.880 14.288 ( -17.599 21.020 -1.083) 27.436 15.475 ( 2.347 5.598 -0.307) 6.078 16.694 ( 7.853 4.752 -2.227) 9.445 19.830 ( -0.008 -34.499 23.864) 41.949 21.625 ( -27.304 -8.277 -25.766) 38.444 ======================= Grid point 2413 (756/891) ======================= q-point: ( 0.62 0.43 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.260 ( 16.855 22.819 3.771) 28.618 8.647 ( 23.541 21.490 3.974) 32.122 9.241 ( 17.692 48.602 -5.031) 51.966 11.260 ( 8.929 19.322 -1.216) 21.320 11.469 ( 6.545 2.579 -9.001) 11.423 12.789 ( 4.636 13.587 0.614) 14.369 14.106 ( 23.228 -5.011 3.385) 24.002 14.254 ( -6.699 32.744 -1.256) 33.446 15.554 ( 4.832 -0.434 1.264) 5.014 16.874 ( 6.582 8.661 -2.650) 11.197 19.563 ( -5.070 -25.909 17.679) 31.773 21.001 ( -24.354 -13.681 -16.593) 32.490 ======================= Grid point 2414 (757/891) ======================= q-point: ( 0.67 0.43 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.764 ( 16.778 19.142 -0.110) 25.454 9.156 ( 12.622 24.314 -4.495) 27.762 10.062 ( 22.320 43.424 4.087) 48.995 11.453 ( -0.545 6.724 -6.060) 9.068 11.610 ( 7.544 10.933 -4.225) 13.939 12.936 ( 0.352 5.753 0.833) 5.823 14.188 ( -1.741 9.677 -3.569) 10.460 14.711 ( 8.204 22.544 4.871) 24.480 15.705 ( 19.833 -6.020 -0.927) 20.747 17.083 ( 7.712 11.777 -1.226) 14.130 19.261 ( -11.751 -14.971 7.236) 20.361 20.432 ( -16.901 -23.946 -3.255) 29.490 ======================= Grid point 2415 (758/891) ======================= q-point: ( 0.71 0.43 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.185 ( 13.757 13.807 -2.744) 19.683 9.556 ( 6.838 27.521 -7.131) 29.240 10.818 ( 18.849 32.775 10.910) 39.352 11.460 ( 1.097 1.807 -9.138) 9.380 11.841 ( 1.851 21.704 -3.112) 22.004 12.934 ( -3.445 0.476 1.233) 3.690 14.254 ( -3.343 14.001 -5.117) 15.277 14.829 ( -14.335 12.102 1.450) 18.817 16.141 ( 31.695 0.877 -3.892) 31.945 17.394 ( 16.981 10.580 2.752) 20.196 18.935 ( -14.052 -7.912 -0.665) 16.139 19.924 ( -10.930 -33.796 8.026) 36.415 ======================= Grid point 2416 (759/891) ======================= q-point: ( 0.76 0.43 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.468 ( 7.947 7.829 -3.847) 11.800 9.872 ( 0.832 28.388 -8.669) 29.694 11.371 ( 7.471 13.573 14.983) 21.553 11.525 ( 10.530 9.266 -7.509) 15.910 12.076 ( -2.446 29.282 -4.041) 29.661 12.876 ( -2.689 -0.434 0.623) 2.794 14.281 ( -13.670 20.746 -3.620) 25.107 14.567 ( -19.470 1.138 -7.328) 20.835 16.620 ( 15.547 13.250 -5.087) 21.051 17.921 ( 35.875 1.933 6.111) 36.443 18.641 ( -9.833 -8.699 -2.430) 13.352 19.432 ( -9.884 -38.258 13.008) 41.600 ======================= Grid point 2431 (760/891) ======================= q-point: ( 0.48 0.48 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.100 ( -0.000 46.411 14.960) 48.763 6.148 ( -0.000 21.925 22.176) 31.184 8.348 ( 0.000 17.769 -6.710) 18.993 9.687 ( 0.000 45.323 -17.224) 48.485 10.831 ( -0.000 50.762 1.331) 50.779 12.358 ( 0.000 -0.469 -0.197) 0.509 12.793 ( -0.000 -3.934 8.009) 8.923 14.907 ( -0.000 12.111 0.862) 12.141 15.055 ( -0.000 31.367 1.156) 31.388 16.395 ( 0.000 -3.955 -2.442) 4.649 20.053 ( -0.000 -39.458 20.553) 44.489 22.671 ( 0.000 -10.477 -30.960) 32.685 ======================= Grid point 2432 (761/891) ======================= q-point: ( 0.52 0.48 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.453 ( 2.497 26.731 15.430) 30.965 6.784 ( 20.134 40.940 15.658) 48.235 8.522 ( 2.169 21.871 -8.078) 23.416 10.151 ( 12.466 34.450 -12.798) 38.807 11.252 ( -0.860 34.362 -0.905) 34.385 12.426 ( 7.311 1.718 -0.291) 7.516 12.886 ( 7.010 6.379 6.324) 11.394 14.884 ( -14.355 17.274 0.469) 22.465 15.402 ( 3.442 20.863 0.879) 21.163 16.415 ( 6.423 -1.564 2.057) 6.923 19.756 ( 2.051 -37.573 19.738) 42.491 22.358 ( -12.370 -10.147 -30.465) 34.410 ======================= Grid point 2433 (762/891) ======================= q-point: ( 0.57 0.48 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.845 ( 7.103 27.124 10.694) 30.009 7.637 ( 28.854 34.096 13.619) 46.697 8.836 ( 8.757 30.943 -9.797) 33.617 10.656 ( 17.285 22.561 -7.428) 29.376 11.458 ( -1.846 14.627 -2.205) 14.907 12.618 ( 8.731 8.563 -1.848) 12.368 13.198 ( 17.070 10.379 5.246) 20.655 14.781 ( -16.693 16.436 -1.022) 23.448 15.575 ( -2.432 13.179 3.837) 13.940 16.590 ( 9.867 5.591 1.945) 11.506 19.526 ( 3.745 -32.759 18.775) 37.943 21.865 ( -21.426 -10.837 -27.852) 36.773 ======================= Grid point 2434 (763/891) ======================= q-point: ( 0.62 0.48 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.286 ( 10.359 25.736 6.599) 28.517 8.448 ( 26.975 23.863 8.868) 37.091 9.387 ( 17.091 42.749 -8.228) 46.769 11.113 ( 17.860 12.682 -3.376) 22.163 11.502 ( -1.995 5.042 -2.561) 5.997 12.836 ( 6.050 9.983 -3.214) 12.108 13.670 ( 24.878 6.399 5.641) 26.300 14.671 ( -11.825 15.495 -2.549) 19.658 15.638 ( -5.941 11.211 6.378) 14.201 16.836 ( 8.335 11.308 -0.162) 14.049 19.356 ( 3.329 -26.911 16.217) 31.596 21.249 ( -26.319 -13.628 -22.788) 37.386 ======================= Grid point 2435 (764/891) ======================= q-point: ( 0.67 0.48 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.729 ( 11.694 22.175 3.101) 25.261 9.083 ( 20.821 20.785 2.612) 29.535 10.140 ( 20.434 44.623 -3.105) 49.178 11.418 ( 6.200 -0.200 -4.153) 7.466 11.579 ( 8.488 12.580 -0.141) 15.177 12.971 ( 2.014 4.569 -2.650) 5.653 14.094 ( 14.741 1.089 5.507) 15.773 14.797 ( 12.479 18.151 -3.186) 22.256 15.631 ( -10.205 10.580 5.882) 15.833 17.085 ( 6.394 14.227 -1.225) 15.645 19.202 ( 0.170 -20.798 11.310) 23.675 20.569 ( -26.480 -19.494 -14.951) 36.121 ======================= Grid point 2436 (765/891) ======================= q-point: ( 0.71 0.48 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.121 ( 10.763 16.839 0.307) 19.987 9.609 ( 15.347 23.454 -1.014) 28.047 10.854 ( 16.910 33.666 2.758) 37.774 11.432 ( 0.821 0.214 -4.936) 5.009 11.930 ( 11.772 18.932 -0.592) 22.301 12.972 ( -2.224 -2.092 -0.713) 3.135 14.281 ( 5.898 5.634 0.998) 8.218 15.351 ( 12.530 30.917 0.373) 33.362 15.548 ( 3.323 -5.150 1.504) 6.311 17.327 ( 6.792 13.228 -0.474) 14.877 19.016 ( -5.393 -14.113 4.304) 15.710 19.885 ( -21.648 -28.760 -4.446) 36.270 ======================= Grid point 2437 (766/891) ======================= q-point: ( 0.76 0.48 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.415 ( 7.723 10.897 -1.450) 13.435 10.050 ( 8.381 26.107 -3.497) 27.641 11.389 ( 13.429 17.564 12.830) 25.562 11.444 ( 2.134 3.845 -9.792) 10.734 12.310 ( 6.603 25.026 -1.625) 25.933 12.878 ( -2.673 -6.316 0.752) 6.900 14.461 ( 4.362 13.981 -3.267) 15.006 15.220 ( -33.594 21.928 -0.854) 40.126 16.158 ( 42.223 4.282 -1.594) 42.470 17.582 ( 11.764 6.302 2.407) 13.561 18.756 ( -12.561 -8.906 -3.502) 15.791 19.264 ( -12.480 -37.825 6.876) 40.420 ======================= Grid point 2453 (767/891) ======================= q-point: ( 0.52 0.52 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.758 ( -0.000 26.976 15.847) 31.286 7.061 ( -0.000 41.230 12.685) 43.138 8.665 ( 0.000 19.388 -6.825) 20.554 10.351 ( 0.000 33.270 -11.269) 35.127 11.502 ( -0.000 15.468 -0.644) 15.481 12.342 ( -0.000 -1.594 0.864) 1.813 12.999 ( -0.000 20.548 2.550) 20.705 15.146 ( -0.000 11.947 -0.317) 11.952 15.620 ( -0.000 21.842 4.153) 22.234 16.354 ( -0.000 1.578 5.893) 6.101 19.448 ( -0.000 -32.807 15.852) 36.436 22.252 ( 0.000 -11.816 -30.188) 32.418 ======================= Grid point 2454 (768/891) ======================= q-point: ( 0.57 0.52 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.088 ( 1.551 28.380 12.686) 31.125 7.630 ( 16.144 34.464 11.797) 39.844 8.915 ( 8.642 23.997 -7.311) 26.533 10.676 ( 6.397 26.405 -7.447) 28.171 11.570 ( -1.604 3.278 -0.299) 3.662 12.432 ( 11.748 -1.720 0.547) 11.885 13.243 ( 2.672 22.014 -0.137) 22.176 15.146 ( -11.901 9.514 -0.298) 15.239 15.775 ( -0.967 9.200 9.410) 13.196 16.533 ( 7.264 16.242 3.976) 18.231 19.229 ( 2.530 -26.115 13.028) 29.294 21.931 ( -11.243 -13.521 -28.459) 33.454 ======================= Grid point 2455 (769/891) ======================= q-point: ( 0.62 0.52 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.451 ( 4.309 27.260 9.399) 29.155 8.295 ( 22.077 24.667 9.447) 34.425 9.416 ( 20.019 33.739 -7.310) 39.906 11.011 ( 9.339 17.264 -2.851) 19.834 11.549 ( -1.422 -0.153 -0.609) 1.554 12.668 ( 16.201 -1.481 -1.130) 16.308 13.514 ( 8.421 14.753 0.378) 16.991 14.966 ( -14.315 2.247 1.658) 14.585 15.887 ( -1.262 11.003 10.436) 15.217 16.863 ( 5.919 23.721 0.893) 24.465 19.097 ( 3.651 -20.595 10.799) 23.539 21.426 ( -20.162 -15.895 -25.166) 35.951 ======================= Grid point 2456 (770/891) ======================= q-point: ( 0.67 0.52 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.820 ( 6.178 23.636 6.293) 25.227 8.913 ( 22.790 18.847 6.404) 30.259 10.165 ( 25.394 40.405 -6.842) 48.210 11.292 ( 8.794 6.327 1.507) 10.937 11.558 ( 3.222 3.655 -1.006) 4.975 12.885 ( 10.259 -1.209 -3.142) 10.797 13.843 ( 17.567 5.862 3.805) 18.906 14.785 ( -5.357 -2.871 2.414) 6.540 16.005 ( -5.658 17.998 8.350) 20.632 17.177 ( 2.499 25.104 -1.343) 25.264 19.003 ( 2.943 -17.535 8.562) 19.735 20.779 ( -26.045 -19.477 -20.313) 38.344 ======================= Grid point 2457 (771/891) ======================= q-point: ( 0.71 0.52 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.153 ( 6.599 18.175 3.516) 19.653 9.496 ( 22.057 18.622 4.768) 29.258 10.913 ( 17.589 36.445 -6.951) 41.060 11.401 ( 1.988 -0.003 1.574) 2.536 11.817 ( 17.604 11.713 1.735) 21.216 12.953 ( 1.561 -2.958 -2.736) 4.322 14.196 ( 13.871 3.985 6.396) 15.786 14.833 ( 20.007 -9.794 0.885) 22.293 16.094 ( -13.004 27.684 5.198) 31.024 17.422 ( -0.137 21.839 -2.722) 22.008 18.898 ( 1.053 -16.279 6.160) 17.437 20.039 ( -28.366 -24.409 -14.068) 39.980 ======================= Grid point 2475 (772/891) ======================= q-point: ( 0.57 0.57 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.406 ( -0.000 28.472 13.971) 31.715 7.849 ( -0.000 30.534 8.879) 31.799 9.033 ( 0.000 23.039 -6.038) 23.817 10.863 ( 0.000 24.946 -5.583) 25.563 11.587 ( -0.000 -1.997 0.615) 2.090 12.299 ( -0.000 -3.847 1.708) 4.209 13.422 ( 0.000 18.220 -3.504) 18.554 15.367 ( 0.000 11.039 -1.176) 11.102 15.766 ( -0.000 -13.822 17.770) 22.512 16.760 ( -0.000 36.644 1.985) 36.698 19.029 ( -0.000 -17.646 8.356) 19.525 21.787 ( 0.000 -16.016 -27.785) 32.071 ======================= Grid point 2476 (773/891) ======================= q-point: ( 0.62 0.57 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.724 ( -0.139 27.186 12.490) 29.918 8.257 ( 12.805 22.524 7.187) 26.888 9.380 ( 14.710 27.555 -5.341) 31.689 11.095 ( 2.403 19.675 -2.079) 19.930 11.553 ( -0.874 -2.459 0.099) 2.611 12.372 ( 12.343 -5.009 1.597) 13.415 13.566 ( 1.682 11.232 -3.832) 11.986 15.241 ( -16.985 -2.762 6.137) 18.270 15.843 ( 12.904 -6.014 13.596) 19.686 17.163 ( -0.741 42.668 0.246) 42.675 18.925 ( 1.205 -11.504 5.352) 12.745 21.435 ( -10.587 -18.559 -25.814) 33.509 ======================= Grid point 2477 (774/891) ======================= q-point: ( 0.67 0.57 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.016 ( 1.072 23.078 9.271) 24.894 8.748 ( 19.330 16.804 6.958) 26.541 10.028 ( 27.940 31.877 -5.863) 42.792 11.297 ( 2.434 11.458 3.563) 12.243 11.537 ( 1.224 1.327 -2.115) 2.780 12.592 ( 17.605 -5.370 0.457) 18.412 13.697 ( 6.553 4.839 -1.709) 8.323 14.921 ( -14.406 -10.267 10.158) 20.399 16.083 ( 11.514 3.024 9.337) 15.129 17.537 ( -4.870 42.627 -1.602) 42.934 18.859 ( 0.608 -9.180 3.575) 9.870 20.899 ( -19.483 -21.492 -22.593) 36.769 ======================= Grid point 2478 (775/891) ======================= q-point: (-0.29 -0.43 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.270 ( 2.311 17.145 6.139) 18.357 9.291 ( 23.100 15.100 7.823) 28.684 10.834 ( 29.320 32.415 -10.828) 45.029 11.409 ( 0.401 3.661 8.770) 9.511 11.657 ( 10.065 6.956 -1.239) 12.297 12.807 ( 11.724 -4.224 -1.006) 12.502 13.913 ( 17.280 -0.481 1.669) 17.367 14.658 ( -6.138 -13.028 10.080) 17.579 16.346 ( 8.255 10.773 6.872) 15.213 17.806 ( -10.199 39.316 -3.765) 40.792 18.775 ( -0.989 -9.930 2.595) 10.311 20.212 ( -25.839 -24.957 -18.238) 40.288 ======================= Grid point 2497 (776/891) ======================= q-point: ( 0.62 0.62 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.044 ( -0.000 25.734 15.626) 30.107 8.355 ( -0.000 17.163 3.194) 17.458 9.491 ( 0.000 26.160 -3.927) 26.453 11.262 ( -0.000 17.472 0.390) 17.476 11.538 ( 0.000 -1.483 -0.856) 1.712 12.212 ( -0.000 -6.367 2.469) 6.829 13.626 ( 0.000 6.522 -4.255) 7.788 15.482 ( -0.000 -27.308 24.693) 36.816 15.559 ( 0.000 9.238 -1.549) 9.367 17.634 ( -0.000 48.745 -0.492) 48.748 18.852 ( -0.000 -4.917 1.723) 5.210 21.244 ( 0.000 -21.094 -25.177) 32.846 ======================= Grid point 2498 (777/891) ======================= q-point: (-0.33 -0.38 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.286 ( -3.324 20.192 11.895) 23.670 8.641 ( 13.431 13.934 5.678) 20.169 9.886 ( 17.834 25.685 -3.968) 31.520 11.411 ( -0.293 8.914 7.353) 11.559 11.540 ( 0.347 5.893 -6.161) 8.533 12.265 ( 12.441 -6.922 2.557) 14.465 13.671 ( 1.204 3.501 -2.717) 4.592 15.093 ( -15.833 -19.914 17.949) 31.135 15.844 ( 17.343 0.094 5.474) 18.187 18.077 ( -4.400 48.620 -1.621) 48.845 18.816 ( -0.913 -2.501 -0.212) 2.671 20.855 ( -10.292 -23.474 -23.401) 34.707 ======================= Grid point 2499 (778/891) ======================= q-point: (-0.29 -0.38 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.437 ( -1.438 13.063 7.066) 14.921 9.085 ( 19.871 12.514 9.802) 25.447 10.539 ( 31.005 23.364 -6.793) 39.412 11.481 ( 0.292 2.713 10.730) 11.072 11.634 ( 1.774 11.866 -6.676) 13.730 12.483 ( 18.437 -5.989 1.988) 19.487 13.734 ( 4.705 1.158 -0.328) 4.857 14.717 ( -12.103 -19.138 16.272) 27.884 16.171 ( 18.237 1.272 5.583) 19.115 18.411 ( -10.222 45.900 -3.202) 47.133 18.754 ( -3.186 -3.166 -0.984) 4.598 20.284 ( -19.399 -25.823 -20.601) 38.309 ======================= Grid point 2519 (779/891) ======================= q-point: (-0.33 -0.33 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.596 ( -0.000 17.615 18.957) 25.877 8.602 ( 0.000 8.265 -1.044) 8.331 9.946 ( 0.000 20.970 -3.411) 21.245 11.486 ( -0.000 0.920 9.335) 9.380 11.624 ( 0.000 15.379 -8.127) 17.395 12.095 ( -0.000 -7.017 3.478) 7.831 13.691 ( 0.000 3.608 -1.248) 3.818 15.073 ( -0.000 -31.012 25.771) 40.322 15.703 ( 0.000 6.368 -1.554) 6.555 18.584 ( -0.000 46.720 -2.110) 46.768 18.814 ( 0.000 0.369 -2.039) 2.072 20.629 ( 0.000 -24.220 -23.215) 33.549 ======================= Grid point 2520 (780/891) ======================= q-point: (-0.29 -0.33 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.603 ( -3.980 6.495 3.771) 8.500 8.946 ( 13.645 9.821 14.223) 22.021 10.275 ( 18.676 15.362 -4.570) 24.610 11.531 ( 0.143 3.271 8.488) 9.098 11.747 ( -0.741 14.988 -6.608) 16.397 12.158 ( 12.662 -5.268 3.661) 14.194 13.730 ( 0.118 4.276 0.895) 4.370 14.753 ( -9.938 -27.224 21.896) 36.323 15.893 ( 14.832 1.733 1.353) 14.994 18.776 ( -2.494 0.228 -4.531) 5.177 18.974 ( -5.018 39.025 -0.737) 39.353 20.232 ( -10.891 -21.440 -22.392) 32.858 ======================= Grid point 2541 (781/891) ======================= q-point: (-0.29 -0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.692 ( 0.000 2.700 -2.892) 3.956 8.940 ( -0.000 2.435 20.973) 21.114 10.207 ( 0.000 7.077 -4.333) 8.299 11.609 ( -0.000 6.575 9.242) 11.343 11.888 ( 0.000 16.808 -8.301) 18.746 12.016 ( -0.000 -2.823 4.536) 5.343 13.794 ( -0.000 6.727 2.923) 7.335 14.630 ( -0.000 -31.061 24.636) 39.644 15.781 ( 0.000 2.482 -1.457) 2.878 18.776 ( 0.000 -1.324 -5.832) 5.980 19.288 ( -0.000 11.392 -0.272) 11.395 20.137 ( 0.000 3.036 -22.599) 22.802 ======================= Grid point 2784 (782/891) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 891 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( -0.000 0.000 32.260) 32.260 2.464 ( -0.000 0.000 32.260) 32.260 4.900 ( -0.000 0.000 66.028) 66.028 7.445 ( 0.000 -0.000 -9.153) 9.153 7.445 ( 0.000 -0.000 -9.153) 9.153 12.437 ( 0.000 -0.000 -1.425) 1.425 12.437 ( 0.000 -0.000 -1.425) 1.425 14.159 ( -0.000 0.000 1.466) 1.466 14.159 ( -0.000 0.000 1.466) 1.466 16.455 ( 0.000 -0.000 -40.190) 40.190 20.612 ( -0.000 0.000 17.272) 17.272 24.808 ( 0.000 -0.000 -1.324) 1.324 ======================= Grid point 2785 (783/891) ======================= q-point: ( 0.33 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.030 ( 46.580 26.893 28.716) 60.971 3.093 ( 31.452 18.159 23.587) 43.305 5.118 ( 1.683 0.971 58.278) 58.311 7.439 ( 2.798 1.615 -9.388) 9.928 7.663 ( 20.488 11.829 -10.162) 25.748 12.428 ( -0.123 -0.071 -1.489) 1.496 12.577 ( 11.032 6.369 0.023) 12.739 14.025 ( -6.556 -3.785 5.500) 9.358 14.224 ( 3.962 2.287 1.296) 4.755 16.485 ( 11.304 6.526 -41.002) 43.029 20.777 ( 8.429 4.867 12.280) 15.669 24.580 ( -19.498 -11.257 -1.227) 22.548 ======================= Grid point 2786 (784/891) ======================= q-point: ( 0.38 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.973 ( 39.433 22.767 14.263) 47.715 4.306 ( 46.758 26.996 30.519) 62.020 5.512 ( 25.272 14.591 37.348) 47.397 7.505 ( 5.616 3.242 -8.801) 10.932 8.254 ( 33.721 19.469 -10.941) 40.445 12.424 ( 0.352 0.203 -1.928) 1.971 12.835 ( 8.341 4.816 5.186) 10.939 14.049 ( 8.680 5.011 3.620) 10.656 14.341 ( 5.849 3.377 1.348) 6.887 16.596 ( 9.415 5.436 -37.192) 38.748 21.005 ( 7.627 4.404 7.825) 11.781 23.952 ( -34.274 -19.788 -2.418) 39.650 ======================= Grid point 2787 (785/891) ======================= q-point: ( 0.43 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.940 ( 42.296 24.420 6.373) 49.254 5.107 ( 19.743 11.398 35.025) 41.791 6.663 ( 61.691 35.617 14.083) 72.614 7.630 ( 7.672 4.430 -7.030) 11.310 9.081 ( 41.833 24.153 -9.971) 49.323 12.432 ( 0.947 0.547 -2.536) 2.762 12.932 ( -1.455 -0.840 9.093) 9.247 14.415 ( 21.508 12.418 -3.910) 25.141 14.494 ( 7.111 4.106 1.551) 8.357 16.663 ( 6.546 3.779 -28.247) 29.241 21.149 ( 1.971 1.138 11.087) 11.318 23.060 ( -41.843 -24.158 -7.469) 48.890 ======================= Grid point 2788 (786/891) ======================= q-point: ( 0.48 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.668 ( 22.753 13.137 24.128) 35.671 5.913 ( 42.280 24.411 -0.299) 48.822 7.802 ( 9.091 5.249 -3.712) 11.135 8.103 ( 58.919 34.017 6.967) 68.389 10.064 ( 47.123 27.207 -8.405) 55.059 12.447 ( 1.145 0.661 -3.083) 3.355 12.866 ( -6.158 -3.555 7.522) 10.351 14.672 ( 8.094 4.673 1.815) 9.521 14.905 ( 22.313 12.882 -8.725) 27.202 16.716 ( 5.309 3.065 -18.948) 19.915 21.145 ( -9.571 -5.526 26.100) 28.343 22.075 ( -38.145 -22.023 -20.663) 48.652 ======================= Grid point 2789 (787/891) ======================= q-point: ( 0.52 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.315 ( 28.657 16.545 12.346) 35.318 6.838 ( 39.814 22.987 -6.503) 46.431 8.018 ( 10.420 6.016 1.626) 12.141 9.308 ( 45.512 26.276 2.314) 52.603 11.106 ( 44.895 25.920 -9.137) 52.639 12.457 ( 0.511 0.295 -3.407) 3.458 12.744 ( -4.990 -2.881 5.596) 8.032 14.872 ( 8.978 5.183 2.041) 10.566 15.353 ( 20.136 11.626 -8.111) 24.625 16.774 ( 4.369 2.522 -14.060) 14.937 20.682 ( -40.105 -23.154 27.376) 53.795 21.447 ( -9.588 -5.535 -18.150) 21.260 ======================= Grid point 2790 (788/891) ======================= q-point: ( 0.57 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.029 ( 31.609 18.250 2.007) 36.554 7.638 ( 32.303 18.650 -12.907) 39.470 8.308 ( 14.684 8.478 9.182) 19.282 10.191 ( 32.713 18.887 -0.454) 37.777 11.819 ( 16.240 9.376 -15.973) 24.634 12.441 ( -1.044 -0.603 -3.473) 3.677 12.823 ( 13.457 7.770 8.731) 17.824 15.091 ( 9.576 5.529 2.141) 11.263 15.805 ( 22.362 12.911 -3.177) 26.016 16.798 ( 1.516 0.875 -14.176) 14.283 19.813 ( -37.823 -21.837 10.245) 44.860 21.265 ( -7.512 -4.337 3.319) 9.287 ======================= Grid point 2791 (789/891) ======================= q-point: ( 0.62 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.736 ( 30.915 17.849 -6.836) 36.346 8.152 ( 17.043 9.840 -10.547) 22.328 8.795 ( 24.745 14.287 9.361) 30.068 10.813 ( 22.850 13.193 -0.866) 26.399 11.835 ( -4.067 -2.348 -15.633) 16.323 12.382 ( -3.191 -1.842 -3.415) 5.023 13.261 ( 17.077 9.859 5.955) 20.599 15.315 ( 9.427 5.443 2.075) 11.082 16.251 ( 8.731 5.041 -9.481) 13.839 16.843 ( 14.943 8.628 -5.865) 18.224 19.142 ( -22.394 -12.929 5.280) 26.392 21.076 ( -12.009 -6.934 12.604) 18.739 ======================= Grid point 2792 (790/891) ======================= q-point: ( 0.67 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.356 ( 26.221 15.139 -14.334) 33.499 8.419 ( 9.652 5.573 -2.997) 11.541 9.398 ( 24.800 14.318 5.013) 29.072 11.243 ( 15.405 8.894 1.667) 17.866 11.675 ( -4.259 -2.459 -13.317) 14.196 12.274 ( -5.222 -3.015 -3.493) 6.969 13.551 ( 7.767 4.484 2.927) 9.434 15.523 ( 8.128 4.693 1.882) 9.573 15.971 ( -20.827 -12.024 -22.647) 33.034 17.568 ( 40.701 23.499 6.326) 47.421 18.837 ( -6.994 -4.038 4.143) 9.077 20.794 ( -17.399 -10.045 17.083) 26.372 ======================= Grid point 2793 (791/891) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.591 ( 5.897 3.405 1.163) 6.908 8.793 ( 16.552 9.556 -19.795) 27.516 9.909 ( 18.105 10.453 3.967) 21.279 11.519 ( 5.698 3.290 5.650) 8.672 11.624 ( 6.791 3.921 -10.786) 13.335 12.132 ( -5.747 -3.318 -3.935) 7.715 13.684 ( 4.610 2.662 0.121) 5.324 15.330 ( -26.923 -15.544 -25.011) 39.900 15.687 ( 5.608 3.238 1.648) 6.682 18.539 ( 39.573 22.848 7.134) 46.249 18.789 ( 1.363 0.787 2.913) 3.311 20.409 ( -21.258 -12.274 19.839) 31.562 ======================= Grid point 2806 (792/891) ======================= q-point: ( 0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -0.000 13.732 30.369) 33.329 3.562 ( -0.000 66.360 23.095) 70.264 5.312 ( -0.000 1.145 53.569) 53.581 7.447 ( 0.000 5.565 -8.540) 10.193 7.586 ( 0.000 20.532 -10.091) 22.878 12.427 ( 0.000 -0.343 -1.599) 1.636 12.592 ( -0.000 16.578 -0.193) 16.580 14.005 ( -0.000 -16.826 5.795) 17.796 14.181 ( -0.000 2.633 1.873) 3.231 16.369 ( 0.000 14.684 -39.011) 41.683 20.825 ( -0.000 9.547 11.471) 14.924 24.600 ( 0.000 -18.908 -1.913) 19.005 ======================= Grid point 2807 (793/891) ======================= q-point: ( 0.38 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.360 ( 42.544 19.174 22.898) 51.981 4.429 ( 13.967 60.783 26.072) 67.597 5.552 ( 6.196 14.572 35.978) 39.308 7.496 ( 1.413 9.960 -7.862) 12.768 7.968 ( 19.792 25.770 -10.106) 34.028 12.425 ( 0.565 0.512 -1.614) 1.785 12.840 ( 5.000 19.318 2.392) 20.098 13.872 ( 4.706 -15.553 6.278) 17.420 14.292 ( 6.666 5.499 1.732) 8.813 16.431 ( 4.986 12.071 -35.767) 38.077 20.990 ( 4.058 7.877 8.050) 11.971 24.200 ( -19.908 -24.769 -3.152) 31.934 ======================= Grid point 2808 (794/891) ======================= q-point: ( 0.43 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.413 ( 46.679 22.925 12.672) 53.526 5.156 ( 9.806 21.830 36.945) 44.019 6.275 ( 34.127 46.751 8.731) 58.537 7.656 ( 3.893 19.224 -4.764) 20.184 8.650 ( 32.859 27.216 -9.922) 43.805 12.441 ( 0.100 2.357 -1.781) 2.956 13.043 ( -3.005 11.407 7.907) 14.202 13.967 ( 20.641 -11.569 -0.134) 23.662 14.518 ( 8.817 12.771 0.258) 15.522 16.511 ( 5.793 7.510 -28.341) 29.886 21.138 ( 3.789 2.132 8.610) 9.645 23.457 ( -34.549 -26.917 -6.036) 44.211 ======================= Grid point 2809 (795/891) ======================= q-point: ( 0.48 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.401 ( 35.398 20.542 9.486) 42.012 5.660 ( 19.880 23.384 22.288) 37.931 7.316 ( 36.236 18.449 -2.746) 40.755 8.090 ( 14.767 48.904 3.726) 51.221 9.531 ( 42.578 27.382 -9.005) 51.417 12.458 ( -0.612 2.930 -1.993) 3.596 13.030 ( -9.513 4.958 8.122) 13.455 14.268 ( 25.787 -10.696 -2.387) 28.019 14.833 ( 10.525 18.094 -4.041) 21.319 16.590 ( 5.943 4.694 -19.333) 20.763 21.208 ( 1.099 -5.785 16.661) 17.671 22.507 ( -42.121 -24.283 -12.947) 50.314 ======================= Grid point 2810 (796/891) ======================= q-point: ( 0.52 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.055 ( 24.696 14.363 13.164) 31.456 6.506 ( 32.755 36.323 -0.956) 48.920 7.818 ( 18.895 4.165 -1.559) 19.412 9.045 ( 28.950 49.830 4.203) 57.783 10.548 ( 47.169 27.098 -8.292) 55.027 12.459 ( -0.970 1.333 -1.787) 2.432 12.918 ( -11.042 5.739 4.735) 13.315 14.582 ( 22.546 -8.439 -0.276) 24.075 15.182 ( 13.025 15.808 -7.152) 21.696 16.674 ( 5.338 3.493 -13.320) 14.769 21.087 ( -17.813 -23.913 34.526) 45.620 21.593 ( -28.076 -8.008 -27.365) 40.015 ======================= Grid point 2811 (797/891) ======================= q-point: ( 0.57 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.689 ( 28.535 16.068 4.167) 33.012 7.367 ( 27.228 36.390 -9.820) 46.498 8.171 ( 16.192 8.677 5.908) 19.297 9.935 ( 25.844 33.651 1.023) 42.442 11.472 ( 33.212 17.092 -11.765) 39.161 12.457 ( 0.528 2.332 -0.904) 2.556 12.860 ( -4.522 11.317 4.430) 12.967 14.867 ( 18.423 -4.850 1.348) 19.099 15.554 ( 18.304 11.761 -5.206) 22.371 16.736 ( 2.889 2.908 -12.170) 12.842 20.300 ( -40.989 -24.751 9.253) 48.768 21.319 ( -4.287 -5.748 2.056) 7.459 ======================= Grid point 2812 (798/891) ======================= q-point: ( 0.62 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.347 ( 29.977 15.232 -3.948) 33.855 8.021 ( 15.986 28.232 -13.225) 35.035 8.637 ( 19.919 19.641 10.503) 29.880 10.599 ( 20.717 21.724 -0.453) 30.023 11.777 ( 3.158 -1.398 -14.250) 14.663 12.487 ( -4.897 7.607 -2.801) 9.471 13.120 ( 14.373 15.336 6.725) 22.068 15.118 ( 15.177 -3.600 1.455) 15.666 16.014 ( 22.914 9.145 -4.001) 24.994 16.754 ( 1.928 5.185 -11.002) 12.315 19.482 ( -31.924 -15.057 1.850) 35.345 21.183 ( -6.106 -11.330 13.716) 18.809 ======================= Grid point 2813 (799/891) ======================= q-point: ( 0.67 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.949 ( 27.216 10.986 -9.157) 30.745 8.419 ( 8.306 21.922 -8.611) 24.974 9.255 ( 19.799 27.554 6.718) 34.588 11.081 ( 16.081 13.708 0.086) 21.131 11.672 ( -3.762 -3.964 -11.748) 12.957 12.420 ( -9.785 7.441 -3.079) 12.673 13.480 ( 9.208 8.873 4.316) 13.496 15.303 ( 12.055 -8.248 -0.813) 14.629 16.168 ( -9.611 1.541 -16.619) 19.260 17.136 ( 33.755 18.337 2.765) 38.513 18.979 ( -15.351 -6.363 1.359) 16.673 20.963 ( -10.603 -15.898 18.403) 26.530 ======================= Grid point 2814 (800/891) ======================= q-point: ( 0.71 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.388 ( 18.097 4.420 -7.816) 20.202 8.721 ( 6.442 20.930 -10.323) 24.210 9.842 ( 14.068 27.757 4.713) 31.474 11.437 ( 12.773 8.706 3.640) 15.880 11.554 ( -1.614 -1.451 -10.151) 10.380 12.295 ( -11.768 7.075 -3.188) 14.097 13.648 ( 3.418 3.784 1.905) 5.444 15.250 ( -2.171 -22.569 -12.800) 26.036 15.920 ( -14.596 13.574 -9.811) 22.216 18.044 ( 44.492 20.227 5.128) 49.142 18.804 ( -2.987 -2.306 2.323) 4.432 20.631 ( -15.331 -19.748 20.434) 32.289 ======================= Grid point 2828 (801/891) ======================= q-point: ( 0.38 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.333 ( -0.000 33.016 25.387) 41.648 4.972 ( -0.000 41.807 37.115) 55.905 5.823 ( -0.000 39.972 13.715) 42.259 7.548 ( 0.000 10.193 -7.756) 12.808 8.073 ( 0.000 34.407 -7.886) 35.299 12.403 ( 0.000 -0.848 -1.705) 1.904 13.058 ( -0.000 29.220 1.474) 29.257 13.675 ( -0.000 -20.628 9.646) 22.772 14.287 ( -0.000 6.654 2.338) 7.053 16.402 ( 0.000 11.938 -31.922) 34.081 21.057 ( -0.000 5.886 7.437) 9.485 24.091 ( 0.000 -28.755 -6.334) 29.445 ======================= Grid point 2829 (802/891) ======================= q-point: ( 0.43 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.054 ( 31.312 35.145 19.762) 51.051 5.366 ( 2.425 10.724 42.040) 43.454 6.482 ( 8.925 67.418 -5.392) 68.220 7.732 ( 9.945 19.778 -5.122) 22.722 8.520 ( 13.425 35.875 -6.863) 38.915 12.421 ( 2.976 0.122 -1.421) 3.300 13.333 ( -5.631 26.721 5.499) 27.856 13.563 ( 9.226 -18.316 5.106) 21.134 14.464 ( 9.763 10.395 1.593) 14.350 16.429 ( 2.678 8.398 -25.462) 26.945 21.129 ( 1.837 -0.953 8.962) 9.198 23.613 ( -18.596 -29.175 -10.364) 36.116 ======================= Grid point 2830 (803/891) ======================= q-point: ( 0.48 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.064 ( 37.403 33.424 11.743) 51.517 5.681 ( 10.568 12.354 31.820) 35.733 7.172 ( 10.643 38.872 -10.725) 41.706 8.339 ( 19.781 52.440 1.815) 56.076 9.166 ( 26.824 31.091 -7.671) 41.773 12.472 ( 1.784 1.306 -0.908) 2.390 13.335 ( -11.781 7.999 9.597) 17.172 13.745 ( 19.964 -4.670 -2.335) 20.636 14.789 ( 12.256 14.654 -1.591) 19.170 16.487 ( 4.661 5.429 -17.281) 18.703 21.151 ( 2.324 -10.413 15.399) 18.734 22.859 ( -32.090 -24.923 -16.091) 43.702 ======================= Grid point 2831 (804/891) ======================= q-point: ( 0.52 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.864 ( 21.415 19.226 10.807) 30.741 6.352 ( 31.536 35.038 13.749) 49.104 7.597 ( 13.005 18.430 -8.675) 24.168 9.253 ( 15.503 60.377 3.988) 62.463 10.012 ( 42.431 27.275 -8.522) 51.156 12.485 ( -0.901 0.112 -0.184) 0.927 13.242 ( -12.843 11.841 4.894) 18.141 14.059 ( 24.596 -7.967 -1.354) 25.890 15.115 ( 10.477 13.812 -4.792) 17.986 16.576 ( 5.618 4.075 -10.806) 12.843 21.085 ( -0.786 -23.731 28.078) 36.772 21.989 ( -36.750 -13.523 -25.461) 46.708 ======================= Grid point 2832 (805/891) ======================= q-point: ( 0.57 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.430 ( 22.675 17.696 5.624) 29.308 7.306 ( 28.018 44.979 -0.205) 52.992 7.976 ( 16.881 12.641 -1.085) 21.118 10.007 ( 12.155 44.439 1.624) 46.100 10.990 ( 41.309 23.079 -8.988) 48.165 12.467 ( -0.080 0.673 1.099) 1.291 13.180 ( -12.723 18.487 1.635) 22.502 14.406 ( 25.888 -8.962 0.216) 27.396 15.394 ( 11.451 9.962 -4.837) 15.930 16.672 ( 4.491 3.990 -8.592) 10.484 20.681 ( -26.556 -32.802 21.315) 47.281 21.378 ( -13.833 -3.310 -14.507) 20.317 ======================= Grid point 2833 (806/891) ======================= q-point: ( 0.62 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.024 ( 25.373 17.545 -0.999) 30.864 8.071 ( 12.565 39.868 -13.554) 43.944 8.498 ( 25.613 21.211 11.254) 35.108 10.574 ( 11.635 30.255 -0.255) 32.416 11.594 ( 15.020 4.191 -11.674) 19.479 12.572 ( 5.217 8.848 1.621) 10.399 13.228 ( -4.240 23.046 2.127) 23.529 14.744 ( 22.437 -7.891 1.274) 23.818 15.708 ( 18.705 6.445 -3.676) 20.123 16.746 ( 2.341 5.716 -8.273) 10.325 19.901 ( -34.241 -19.371 2.112) 39.398 21.173 ( -3.911 -13.591 8.641) 16.574 ======================= Grid point 2834 (807/891) ======================= q-point: ( 0.67 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.607 ( 24.843 15.262 -5.771) 29.722 8.503 ( 7.037 28.138 -10.744) 30.931 9.249 ( 22.384 35.579 8.723) 42.930 11.005 ( 10.816 19.557 -1.085) 22.375 11.639 ( -0.492 -3.208 -9.907) 10.425 12.667 ( -6.597 10.891 -0.942) 12.768 13.485 ( 5.068 18.358 2.892) 19.264 14.986 ( 14.667 -9.418 -0.359) 17.434 16.087 ( 16.970 3.430 -8.079) 19.105 16.893 ( 12.337 12.811 -2.641) 17.981 19.247 ( -24.643 -9.272 -1.975) 26.403 20.974 ( -5.396 -20.667 16.759) 27.150 ======================= Grid point 2835 (808/891) ======================= q-point: ( 0.71 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.103 ( 20.315 10.922 -7.750) 24.332 8.829 ( 4.481 25.332 -9.016) 27.260 9.963 ( 14.661 39.150 6.922) 42.374 11.329 ( 10.392 11.295 -2.048) 15.484 11.553 ( -2.359 -0.931 -5.797) 6.328 12.602 ( -12.486 11.622 -1.471) 17.121 13.679 ( 0.369 9.753 1.847) 9.933 15.010 ( 3.154 -16.248 -7.426) 18.141 16.187 ( -4.524 9.298 -11.159) 15.213 17.509 ( 38.976 16.333 3.974) 42.446 18.882 ( -10.486 -4.383 -0.845) 11.397 20.683 ( -9.391 -25.847 19.608) 33.774 ======================= Grid point 2850 (809/891) ======================= q-point: ( 0.43 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.241 ( -0.000 42.324 21.393) 47.423 5.546 ( -0.000 4.461 37.762) 38.025 7.162 ( 0.000 80.931 -11.542) 81.749 7.737 ( 0.000 13.907 -7.172) 15.647 8.808 ( -0.000 43.758 -2.208) 43.814 12.376 ( 0.000 -0.682 -1.281) 1.452 13.326 ( -0.000 -17.871 5.996) 18.850 13.727 ( -0.000 32.811 6.210) 33.394 14.464 ( -0.000 9.541 2.242) 9.801 16.404 ( 0.000 6.486 -20.326) 21.335 21.102 ( -0.000 -8.770 11.261) 14.273 23.441 ( 0.000 -28.215 -16.336) 32.603 ======================= Grid point 2851 (810/891) ======================= q-point: ( 0.48 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.949 ( 23.348 42.146 17.383) 51.221 5.752 ( 4.974 8.572 29.551) 31.169 7.567 ( -12.001 39.673 -12.375) 43.256 8.359 ( 32.221 51.152 -7.756) 60.950 9.291 ( 4.237 45.893 0.073) 46.088 12.414 ( 4.493 -0.060 -0.782) 4.561 13.235 ( 7.530 -17.551 6.160) 20.067 13.930 ( -12.993 28.931 3.981) 31.964 14.710 ( 12.656 13.745 0.725) 18.699 16.421 ( 2.643 4.322 -13.458) 14.380 21.027 ( 1.650 -19.143 16.673) 25.439 22.975 ( -16.523 -22.936 -22.538) 36.153 ======================= Grid point 2852 (811/891) ======================= q-point: ( 0.52 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.788 ( 19.575 29.500 11.097) 37.102 6.209 ( 25.691 25.963 22.151) 42.717 7.726 ( -2.643 28.983 -12.152) 31.539 9.458 ( 38.028 50.937 -7.463) 64.003 9.823 ( 5.488 44.103 0.929) 44.453 12.475 ( 2.014 -0.523 0.094) 2.083 13.298 ( 14.029 -10.221 4.395) 17.906 13.959 ( -11.507 20.432 1.636) 23.506 15.059 ( 10.710 14.083 -2.206) 17.830 16.491 ( 5.105 3.424 -7.114) 9.402 20.891 ( 2.348 -30.229 24.714) 39.116 22.322 ( -27.561 -13.638 -28.239) 41.750 ======================= Grid point 2853 (812/891) ======================= q-point: ( 0.57 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.316 ( 15.579 21.162 7.266) 27.264 7.184 ( 37.342 38.706 13.788) 55.522 7.970 ( 3.564 26.785 -11.420) 29.335 10.330 ( 5.887 38.199 0.619) 38.655 10.527 ( 37.253 37.210 -7.119) 53.132 12.479 ( -0.183 0.423 1.046) 1.143 13.501 ( 6.437 9.365 2.391) 11.613 14.004 ( 3.793 5.164 0.083) 6.408 15.318 ( 7.432 9.830 -3.015) 12.687 16.604 ( 5.649 4.007 -4.364) 8.186 20.647 ( -3.628 -38.208 28.140) 47.590 21.651 ( -27.366 -4.363 -27.695) 39.179 ======================= Grid point 2854 (813/891) ======================= q-point: ( 0.62 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.835 ( 19.118 21.101 1.940) 28.540 8.235 ( 32.670 44.336 7.074) 55.525 8.286 ( 8.563 23.489 -7.573) 26.123 10.764 ( 4.554 31.552 0.000) 31.879 11.295 ( 23.734 13.130 -8.261) 28.354 12.559 ( 5.487 8.459 2.254) 10.332 13.645 ( -10.785 27.818 -0.200) 29.836 14.245 ( 24.850 -7.758 1.504) 26.076 15.513 ( 9.187 4.719 -2.347) 10.592 16.724 ( 4.478 5.929 -4.262) 8.565 20.172 ( -19.758 -29.817 12.451) 37.874 21.182 ( -13.139 -9.697 -8.117) 18.236 ======================= Grid point 2855 (814/891) ======================= q-point: ( 0.67 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.376 ( 20.520 19.550 -2.363) 28.440 8.637 ( 6.829 27.645 -9.096) 29.893 9.216 ( 28.968 41.789 8.100) 51.489 11.099 ( 3.327 23.463 -1.229) 23.729 11.546 ( 5.968 -0.795 -7.417) 9.553 12.782 ( 4.630 9.913 2.185) 11.157 13.746 ( -8.028 27.835 -1.855) 29.029 14.614 ( 21.627 -4.806 2.754) 22.325 15.749 ( 17.995 0.455 -4.018) 18.443 16.863 ( 5.457 9.969 -3.009) 11.757 19.567 ( -25.114 -15.127 -1.327) 29.348 20.888 ( -5.494 -21.570 9.232) 24.098 ======================= Grid point 2856 (815/891) ======================= q-point: ( 0.71 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.877 ( 18.769 15.915 -5.106) 25.133 8.986 ( 5.105 27.878 -8.014) 29.453 10.088 ( 21.888 42.074 8.205) 48.131 11.324 ( 2.787 12.678 -4.265) 13.663 11.569 ( 0.280 3.430 -3.513) 4.918 12.860 ( -5.270 7.542 1.722) 9.360 13.874 ( -5.697 20.472 -2.358) 21.380 14.803 ( 5.177 -6.443 -1.196) 8.351 16.087 ( 19.550 2.636 -7.666) 21.165 17.162 ( 19.054 13.728 1.577) 23.537 19.071 ( -18.467 -7.032 -4.386) 20.241 20.592 ( -5.633 -29.591 16.255) 34.228 ======================= Grid point 2872 (816/891) ======================= q-point: ( 0.48 0.48 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.247 ( -0.000 45.695 18.717) 49.380 5.893 ( -0.000 11.410 23.648) 26.257 7.988 ( 0.000 16.349 -7.066) 17.811 8.542 ( 0.000 66.163 -15.927) 68.054 9.771 ( -0.000 53.765 3.143) 53.857 12.362 ( 0.000 -0.192 -0.330) 0.382 13.030 ( -0.000 -15.304 5.801) 16.366 14.425 ( -0.000 33.358 4.546) 33.667 14.682 ( -0.000 11.103 1.441) 11.196 16.394 ( 0.000 2.490 -8.166) 8.537 20.834 ( -0.000 -29.069 19.245) 34.862 22.824 ( 0.000 -18.235 -28.350) 33.708 ======================= Grid point 2873 (817/891) ======================= q-point: ( 0.52 0.48 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.886 ( 12.577 39.638 14.570) 44.064 6.187 ( 12.283 21.360 19.738) 31.571 8.055 ( -6.508 23.320 -9.387) 25.968 9.312 ( 24.391 47.282 -12.572) 54.668 10.321 ( -0.033 54.684 3.044) 54.768 12.410 ( 4.644 0.046 0.046) 4.645 12.981 ( 8.400 -11.017 4.649) 14.613 14.483 ( -18.309 23.991 2.898) 30.318 15.017 ( 11.923 17.555 0.473) 21.227 16.425 ( 3.567 1.587 -2.557) 4.667 20.596 ( 2.221 -37.068 22.548) 43.444 22.449 ( -13.906 -12.072 -31.652) 36.619 ======================= Grid point 2874 (818/891) ======================= q-point: ( 0.57 0.48 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.367 ( 8.170 24.943 9.021) 27.754 6.986 ( 33.035 36.586 17.190) 52.205 8.210 ( -1.124 29.048 -11.536) 31.275 10.124 ( 29.218 29.461 -7.792) 42.218 10.838 ( 0.415 47.095 1.061) 47.109 12.481 ( 2.305 2.476 0.083) 3.384 13.170 ( 21.080 -4.009 3.403) 21.726 14.393 ( -18.940 21.490 0.842) 28.657 15.317 ( 5.274 13.506 -0.274) 14.502 16.529 ( 6.278 2.859 0.365) 6.908 20.339 ( 3.011 -40.583 24.175) 47.333 21.933 ( -22.441 -7.076 -30.670) 38.657 ======================= Grid point 2875 (819/891) ======================= q-point: ( 0.62 0.48 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.805 ( 12.111 24.669 4.746) 27.888 7.974 ( 34.921 29.690 14.876) 48.190 8.526 ( 5.472 39.312 -13.121) 41.803 10.792 ( 23.049 18.799 -3.140) 29.908 11.228 ( 2.276 25.927 -1.632) 26.078 12.584 ( 3.407 10.789 -0.230) 11.316 13.610 ( 29.227 2.271 3.279) 29.498 14.276 ( -18.157 20.009 -1.398) 27.055 15.478 ( 1.801 8.007 0.863) 8.252 16.682 ( 6.337 5.736 -0.130) 8.549 20.052 ( -1.064 -37.035 19.540) 41.887 21.377 ( -23.069 -7.410 -22.552) 33.101 ======================= Grid point 2876 (820/891) ======================= q-point: ( 0.67 0.48 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.284 ( 14.759 23.410 1.076) 27.695 8.679 ( 16.419 20.971 1.807) 26.695 9.206 ( 24.227 49.004 -1.824) 54.696 11.252 ( 10.083 18.845 -0.402) 21.377 11.406 ( 3.999 3.794 -3.244) 6.396 12.792 ( 5.852 12.027 0.133) 13.376 14.133 ( 10.888 -2.387 1.647) 11.268 14.243 ( 5.388 30.356 -0.824) 30.842 15.562 ( 2.903 1.894 0.424) 3.492 16.856 ( 5.903 9.360 -0.906) 11.103 19.695 ( -10.213 -25.349 7.268) 28.279 20.877 ( -16.051 -16.264 -6.915) 23.874 ======================= Grid point 2877 (821/891) ======================= q-point: ( 0.71 0.48 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.754 ( 14.951 19.999 -1.764) 25.032 9.115 ( 9.642 25.955 -3.634) 27.926 10.105 ( 25.919 42.353 4.022) 49.817 11.408 ( -1.823 4.366 -2.080) 5.168 11.584 ( 6.959 13.640 -1.325) 15.370 12.948 ( 1.413 4.793 1.722) 5.285 14.146 ( -4.085 11.619 -4.690) 13.179 14.758 ( 9.059 21.180 4.362) 23.445 15.681 ( 17.090 -4.559 -3.791) 18.089 17.078 ( 8.608 12.305 0.142) 15.018 19.280 ( -16.357 -12.702 -3.388) 20.985 20.453 ( -8.968 -28.340 7.350) 30.621 ======================= Grid point 2894 (822/891) ======================= q-point: ( 0.52 0.52 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.260 ( -0.000 44.779 16.610) 47.760 6.335 ( -0.000 20.628 14.769) 25.370 8.276 ( 0.000 17.843 -7.500) 19.355 9.538 ( 0.000 46.563 -12.297) 48.160 10.849 ( -0.000 48.860 2.344) 48.916 12.361 ( -0.000 -0.236 0.815) 0.848 12.851 ( -0.000 -4.105 3.506) 5.399 14.912 ( -0.000 11.688 0.234) 11.690 15.079 ( -0.000 30.499 3.565) 30.706 16.396 ( -0.000 -0.347 2.409) 2.434 20.262 ( -0.000 -40.858 20.875) 45.882 22.347 ( 0.000 -10.097 -33.111) 34.616 ======================= Grid point 2895 (823/891) ======================= q-point: ( 0.57 0.52 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.584 ( 0.708 26.976 10.743) 29.045 6.947 ( 20.568 38.670 16.139) 46.678 8.435 ( 0.846 22.329 -9.019) 24.097 10.045 ( 13.913 35.577 -8.151) 39.061 11.255 ( -1.301 33.139 1.861) 33.216 12.427 ( 6.549 1.578 0.422) 6.750 12.929 ( 7.570 5.616 2.068) 9.650 14.887 ( -14.330 16.222 0.082) 21.645 15.421 ( 2.843 22.354 2.776) 22.704 16.454 ( 5.406 0.666 5.449) 7.705 19.954 ( 3.059 -40.341 19.377) 44.858 22.043 ( -11.643 -8.778 -31.750) 34.939 ======================= Grid point 2896 (824/891) ======================= q-point: ( 0.62 0.52 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.936 ( 5.302 27.527 7.425) 29.000 7.781 ( 28.332 31.869 14.659) 45.091 8.731 ( 7.711 32.260 -10.963) 34.933 10.601 ( 18.728 23.414 -3.718) 30.212 11.456 ( -2.673 14.330 1.939) 14.705 12.601 ( 7.910 7.896 -1.535) 11.282 13.235 ( 18.213 9.756 2.119) 20.770 14.770 ( -17.261 15.968 -1.225) 23.546 15.618 ( -2.805 16.543 4.679) 17.419 16.620 ( 8.006 5.612 4.058) 10.585 19.706 ( 4.582 -36.113 16.696) 40.049 21.585 ( -19.442 -9.420 -27.106) 34.662 ======================= Grid point 2897 (825/891) ======================= q-point: ( 0.67 0.52 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.341 ( 8.453 26.370 4.479) 28.051 8.542 ( 24.094 21.372 9.578) 33.601 9.301 ( 18.908 44.648 -8.648) 49.252 11.094 ( 18.318 13.513 -0.496) 22.769 11.499 ( -2.820 5.042 2.063) 6.134 12.806 ( 6.292 9.033 -2.705) 11.336 13.718 ( 26.156 6.706 3.824) 27.271 14.643 ( -13.247 15.959 -2.920) 20.945 15.699 ( -7.166 13.897 5.695) 16.641 16.842 ( 7.145 10.763 1.260) 12.981 19.498 ( 2.613 -29.303 11.315) 31.520 21.035 ( -22.357 -13.482 -18.822) 32.184 ======================= Grid point 2916 (826/891) ======================= q-point: ( 0.57 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.896 ( -0.000 27.200 11.341) 29.470 7.198 ( -0.000 39.212 14.211) 41.708 8.590 ( 0.000 19.771 -8.126) 21.376 10.262 ( 0.000 34.565 -6.540) 35.178 11.515 ( -0.000 15.131 3.248) 15.475 12.356 ( -0.000 -1.450 1.804) 2.315 13.003 ( -0.000 18.538 -1.678) 18.614 15.140 ( -0.000 11.624 -0.909) 11.659 15.667 ( -0.000 25.259 5.121) 25.773 16.429 ( -0.000 1.541 8.943) 9.075 19.605 ( -0.000 -36.235 15.056) 39.239 21.942 ( 0.000 -10.167 -30.965) 32.591 ======================= Grid point 2917 (827/891) ======================= q-point: ( 0.62 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.203 ( 0.069 29.123 10.028) 30.801 7.756 ( 16.520 31.947 12.886) 38.204 8.834 ( 7.921 25.127 -8.725) 27.753 10.623 ( 7.307 27.470 -3.454) 28.635 11.588 ( -2.026 2.703 4.200) 5.390 12.443 ( 10.803 -1.403 1.479) 10.994 13.226 ( 3.832 20.416 -3.146) 21.009 15.141 ( -11.617 10.377 -0.742) 15.594 15.870 ( -2.065 15.048 9.306) 17.814 16.583 ( 6.324 12.706 5.978) 15.401 19.354 ( 3.293 -29.821 11.402) 32.095 21.643 ( -10.329 -11.974 -28.087) 32.233 ======================= Grid point 2918 (828/891) ======================= q-point: (-0.33 -0.43 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.538 ( 2.529 27.966 7.829) 29.151 8.395 ( 21.424 22.199 10.428) 32.566 9.336 ( 19.709 35.459 -8.434) 41.436 10.998 ( 10.533 18.485 -0.050) 21.276 11.567 ( -1.980 -1.242 4.359) 4.946 12.662 ( 14.406 -0.934 -0.030) 14.436 13.508 ( 10.995 13.756 -1.526) 17.677 14.979 ( -15.076 5.584 0.948) 16.105 15.992 ( -3.153 13.028 10.249) 16.874 16.874 ( 5.339 21.298 1.349) 21.998 19.194 ( 4.459 -23.869 7.976) 25.559 21.180 ( -18.164 -14.940 -23.113) 32.975 ======================= Grid point 2938 (829/891) ======================= q-point: (-0.38 -0.38 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.539 ( -0.000 29.753 12.227) 32.168 7.944 ( -0.000 27.343 9.832) 29.057 8.966 ( 0.000 24.498 -7.351) 25.578 10.825 ( -0.000 26.033 -2.317) 26.136 11.617 ( -0.000 -3.148 5.503) 6.340 12.320 ( -0.000 -3.770 2.510) 4.529 13.378 ( 0.000 17.690 -5.096) 18.410 15.353 ( 0.000 10.918 -1.612) 11.036 15.948 ( -0.000 -7.897 18.014) 19.669 16.780 ( -0.000 33.600 1.901) 33.654 19.106 ( -0.000 -21.139 6.510) 22.118 21.508 ( 0.000 -14.580 -26.950) 30.641 ======================= Grid point 2939 (830/891) ======================= q-point: (-0.33 -0.38 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.845 ( -2.049 28.057 11.324) 30.326 8.334 ( 13.717 20.004 8.110) 25.575 9.321 ( 14.286 29.179 -6.310) 33.096 11.084 ( 3.227 20.993 -0.552) 21.247 11.582 ( -1.258 -4.365 5.904) 7.449 12.392 ( 11.770 -4.861 2.434) 12.965 13.524 ( 2.476 11.442 -4.370) 12.496 15.286 ( -15.242 3.059 2.873) 15.809 15.998 ( 9.796 -8.404 16.587) 21.017 17.157 ( -0.994 41.386 -1.367) 41.420 18.969 ( 1.826 -14.375 3.053) 14.808 21.181 ( -9.684 -17.497 -24.036) 31.267 ======================= Grid point 2960 (831/891) ======================= q-point: (-0.33 -0.33 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.203 ( -0.000 27.543 15.694) 31.701 8.387 ( -0.000 14.195 3.205) 14.552 9.447 ( 0.000 27.384 -4.654) 27.777 11.259 ( -0.000 19.487 -1.188) 19.523 11.569 ( -0.000 -4.679 7.171) 8.562 12.240 ( -0.000 -6.197 3.124) 6.940 13.585 ( 0.000 7.535 -3.817) 8.446 15.542 ( 0.000 9.290 -1.791) 9.461 15.732 ( -0.000 -25.747 24.510) 35.548 17.616 ( -0.000 48.325 -3.223) 48.432 18.859 ( 0.000 -6.902 -0.512) 6.921 20.999 ( 0.000 -20.269 -22.982) 30.643 ======================= Grid point 3247 (832/891) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 891 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( -0.000 0.000 27.066) 27.066 2.764 ( -0.000 0.000 27.066) 27.066 5.519 ( -0.000 0.000 56.141) 56.141 7.354 ( 0.000 -0.000 -8.817) 8.817 7.354 ( 0.000 -0.000 -8.817) 8.817 12.424 ( 0.000 -0.000 -1.230) 1.230 12.424 ( 0.000 -0.000 -1.230) 1.230 14.173 ( -0.000 0.000 1.275) 1.275 14.173 ( -0.000 0.000 1.275) 1.275 16.070 ( 0.000 -0.000 -35.774) 35.774 20.768 ( -0.000 0.000 13.571) 13.571 24.795 ( 0.000 -0.000 -1.199) 1.199 ======================= Grid point 3248 (833/891) ======================= q-point: ( 0.38 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.302 ( 27.887 16.101 17.619) 36.707 3.309 ( 45.101 26.039 26.349) 58.364 5.656 ( -2.363 -1.364 47.917) 47.995 7.348 ( 2.872 1.658 -8.355) 8.989 7.566 ( 19.881 11.478 -8.861) 24.607 12.414 ( -0.270 -0.156 -1.242) 1.280 12.578 ( 12.460 7.194 0.358) 14.392 14.069 ( -5.352 -3.090 3.224) 6.970 14.235 ( 3.952 2.282 0.849) 4.642 16.102 ( 10.900 6.293 -34.535) 36.757 20.891 ( 6.309 3.643 10.048) 12.411 24.568 ( -19.504 -11.261 -1.064) 22.547 ======================= Grid point 3249 (834/891) ======================= q-point: ( 0.43 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.085 ( 36.424 21.030 7.782) 42.773 4.601 ( 51.635 29.812 28.209) 65.960 5.854 ( 13.901 8.026 29.728) 33.785 7.425 ( 6.052 3.494 -6.835) 9.775 8.153 ( 33.513 19.348 -9.014) 39.733 12.406 ( 0.066 0.038 -1.624) 1.625 12.889 ( 11.064 6.388 5.551) 13.930 14.063 ( 6.039 3.486 -0.737) 7.012 14.352 ( 5.978 3.452 0.717) 6.940 16.257 ( 11.501 6.640 -29.624) 32.465 21.079 ( 7.173 4.142 6.640) 10.616 23.934 ( -35.194 -20.319 -1.233) 40.657 ======================= Grid point 3250 (835/891) ======================= q-point: ( 0.48 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.971 ( 40.030 23.112 -0.516) 46.226 5.443 ( 16.647 9.611 31.603) 36.989 6.787 ( 58.186 33.594 10.002) 67.928 7.573 ( 8.580 4.954 -4.003) 10.686 8.987 ( 42.124 24.320 -8.551) 49.386 12.408 ( 0.627 0.362 -2.197) 2.313 13.025 ( -1.313 -0.758 9.308) 9.431 14.352 ( 19.436 11.222 -8.664) 24.057 14.506 ( 7.328 4.231 0.866) 8.506 16.412 ( 9.660 5.577 -21.271) 24.018 21.244 ( 5.090 2.939 7.481) 9.514 23.009 ( -44.848 -25.893 -2.541) 51.848 ======================= Grid point 3251 (836/891) ======================= q-point: ( 0.52 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.875 ( 40.535 23.403 -7.184) 47.354 5.889 ( 17.941 10.358 19.408) 28.388 7.784 ( 10.573 6.105 0.188) 12.211 8.171 ( 57.122 32.979 6.350) 66.264 9.982 ( 47.410 27.372 -7.792) 55.296 12.418 ( 0.888 0.513 -2.739) 2.925 12.939 ( -7.435 -4.292 6.936) 11.037 14.687 ( 8.330 4.809 1.206) 9.694 14.805 ( 22.246 12.844 -10.880) 27.896 16.547 ( 7.409 4.277 -14.494) 16.830 21.357 ( 1.821 1.051 12.985) 13.154 21.928 ( -48.383 -27.934 -5.579) 56.146 ======================= Grid point 3252 (837/891) ======================= q-point: ( 0.57 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.417 ( 24.440 14.110 7.703) 29.253 6.741 ( 38.240 22.078 -12.324) 45.843 8.055 ( 12.605 7.277 5.405) 15.526 9.336 ( 43.865 25.326 3.268) 50.757 11.016 ( 43.250 24.970 -8.583) 50.673 12.424 ( 0.372 0.215 -3.080) 3.109 12.799 ( -4.641 -2.680 5.103) 7.400 14.891 ( 9.163 5.290 1.590) 10.700 15.270 ( 21.920 12.656 -8.072) 26.567 16.640 ( 4.502 2.599 -12.388) 13.434 20.820 ( -46.779 -27.008 -3.446) 54.125 21.413 ( -1.374 -0.793 14.627) 14.713 ======================= Grid point 3253 (838/891) ======================= q-point: ( 0.62 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.029 ( 28.097 16.222 -2.059) 32.509 7.497 ( 31.651 18.274 -14.789) 39.426 8.405 ( 16.550 9.555 9.830) 21.490 10.194 ( 31.820 18.371 1.080) 36.758 11.674 ( 14.295 8.253 -12.515) 20.714 12.407 ( -1.078 -0.622 -3.164) 3.400 12.905 ( 14.115 8.150 7.360) 17.884 15.111 ( 9.661 5.578 1.860) 11.310 15.767 ( 23.816 13.750 -4.288) 27.832 16.658 ( 1.196 0.690 -13.318) 13.389 19.836 ( -37.419 -21.604 -4.597) 43.451 21.387 ( -6.209 -3.585 19.915) 21.166 ======================= Grid point 3254 (839/891) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.651 ( 27.985 16.157 -9.867) 33.787 8.046 ( 20.567 11.874 -10.413) 25.931 8.885 ( 22.746 13.133 8.502) 27.607 10.811 ( 22.907 13.225 0.524) 26.456 11.700 ( -3.498 -2.020 -10.968) 11.688 12.349 ( -3.215 -1.856 -3.099) 4.836 13.322 ( 15.787 9.115 5.917) 19.166 15.335 ( 9.408 5.432 1.923) 11.033 16.121 ( -0.178 -0.103 -15.649) 15.651 16.802 ( 23.782 13.731 -2.751) 27.599 19.153 ( -20.972 -12.108 -2.399) 24.335 21.256 ( -11.801 -6.813 22.287) 26.122 ======================= Grid point 3269 (840/891) ======================= q-point: ( 0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( -0.000 13.305 26.609) 29.750 3.761 ( -0.000 65.347 16.198) 67.325 5.801 ( -0.000 -5.426 42.911) 43.253 7.364 ( 0.000 5.796 -7.925) 9.818 7.495 ( 0.000 20.426 -7.624) 21.803 12.412 ( 0.000 -0.527 -1.275) 1.380 12.592 ( -0.000 17.502 0.148) 17.503 14.050 ( -0.000 -13.764 3.420) 14.183 14.199 ( -0.000 2.956 1.751) 3.436 16.009 ( 0.000 14.526 -31.998) 35.141 20.928 ( -0.000 7.317 8.974) 11.579 24.582 ( 0.000 -19.897 -1.623) 19.963 ======================= Grid point 3270 (841/891) ======================= q-point: ( 0.43 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.576 ( 36.917 19.047 19.538) 45.906 4.646 ( 17.300 68.120 17.068) 72.325 5.882 ( 2.147 -0.300 28.708) 28.790 7.424 ( 1.942 10.665 -6.396) 12.587 7.881 ( 19.072 25.900 -7.160) 32.952 12.411 ( 0.513 0.413 -1.257) 1.419 12.865 ( 7.002 20.450 2.655) 21.778 13.918 ( 2.296 -14.179 2.895) 14.653 14.308 ( 6.111 5.830 1.347) 8.553 16.109 ( 5.871 13.713 -27.740) 31.496 21.063 ( 3.644 7.068 6.337) 10.169 24.173 ( -19.540 -26.965 -2.355) 33.384 ======================= Grid point 3271 (842/891) ======================= q-point: ( 0.48 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.518 ( 40.500 24.713 7.582) 48.046 5.498 ( 9.045 25.220 30.906) 40.902 6.336 ( 33.457 33.897 3.169) 47.733 7.618 ( 5.094 21.947 -2.650) 22.686 8.562 ( 32.436 27.255 -7.432) 43.014 12.424 ( -0.225 2.506 -1.480) 2.919 13.125 ( -1.173 12.370 8.435) 15.018 13.945 ( 17.423 -11.148 -4.296) 21.126 14.516 ( 7.603 12.087 -0.502) 14.288 16.265 ( 7.803 10.101 -20.306) 23.984 21.213 ( 4.682 4.185 6.138) 8.781 23.410 ( -34.437 -30.815 -3.211) 46.323 ======================= Grid point 3272 (843/891) ======================= q-point: ( 0.52 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.441 ( 35.636 26.524 -0.818) 44.431 5.878 ( 10.133 17.009 19.602) 27.861 7.298 ( 37.173 12.654 -0.578) 39.272 8.128 ( 17.019 51.583 3.803) 54.451 9.447 ( 42.736 27.283 -7.491) 51.253 12.438 ( -1.053 3.451 -1.797) 4.031 13.112 ( -10.671 3.712 7.978) 13.831 14.228 ( 26.590 -8.916 -5.634) 28.605 14.791 ( 8.484 17.249 -4.000) 19.635 16.425 ( 7.507 6.953 -13.274) 16.760 21.339 ( 4.257 0.642 8.623) 9.638 22.420 ( -43.334 -31.550 -3.678) 53.729 ======================= Grid point 3273 (844/891) ======================= q-point: ( 0.57 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.145 ( 24.575 13.319 4.071) 28.247 6.477 ( 25.006 36.701 -4.239) 44.612 7.829 ( 21.983 3.401 3.506) 22.519 9.088 ( 28.039 48.602 4.302) 56.275 10.468 ( 46.911 26.737 -7.286) 54.485 12.441 ( -1.373 2.530 -1.765) 3.377 12.964 ( -11.699 4.154 4.157) 13.092 14.572 ( 24.319 -7.901 -1.725) 25.629 15.114 ( 12.078 16.755 -6.112) 21.540 16.555 ( 5.248 4.776 -10.209) 12.433 21.316 ( -40.415 -17.842 -22.987) 49.800 21.444 ( -3.196 -14.434 31.606) 34.893 ======================= Grid point 3274 (845/891) ======================= q-point: ( 0.62 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.705 ( 25.876 14.197 -0.955) 29.530 7.248 ( 24.216 36.831 -13.291) 46.039 8.248 ( 18.683 9.629 8.835) 22.799 9.951 ( 24.967 32.581 2.201) 41.106 11.366 ( 30.806 15.713 -9.123) 35.765 12.446 ( -0.476 4.155 -1.242) 4.363 12.903 ( -2.217 10.423 3.769) 11.304 14.879 ( 19.203 -4.878 0.912) 19.834 15.503 ( 19.137 12.937 -4.952) 23.624 16.620 ( 1.608 3.815 -10.650) 11.426 20.288 ( -42.613 -21.508 -9.882) 48.746 21.451 ( -0.340 -9.244 22.389) 24.225 ======================= Grid point 3275 (846/891) ======================= q-point: ( 0.67 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.290 ( 27.287 14.580 -7.232) 31.772 7.888 ( 17.457 29.289 -13.235) 36.575 8.740 ( 19.028 19.415 9.882) 28.925 10.601 ( 20.482 21.063 0.975) 29.396 11.657 ( 3.161 -0.953 -9.417) 9.979 12.462 ( -5.826 8.071 -2.242) 10.203 13.182 ( 14.690 14.233 5.362) 21.145 15.131 ( 15.090 -4.222 1.154) 15.712 15.956 ( 19.398 7.744 -7.333) 22.137 16.656 ( 4.577 8.500 -8.475) 12.846 19.451 ( -30.545 -13.527 -7.168) 34.166 21.377 ( -4.899 -13.127 23.851) 27.662 ======================= Grid point 3291 (847/891) ======================= q-point: ( 0.43 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.582 ( -0.000 31.591 23.664) 39.471 5.264 ( -0.000 66.211 19.614) 69.055 5.954 ( -0.000 8.811 13.043) 15.741 7.473 ( 0.000 10.332 -7.069) 12.518 8.015 ( 0.000 35.318 -3.839) 35.526 12.388 ( 0.000 -0.912 -1.134) 1.455 13.071 ( -0.000 28.854 0.813) 28.866 13.759 ( -0.000 -17.586 7.351) 19.060 14.310 ( -0.000 6.819 2.098) 7.134 16.119 ( 0.000 14.486 -23.881) 27.931 21.122 ( -0.000 6.266 5.441) 8.299 24.033 ( 0.000 -32.547 -5.197) 32.960 ======================= Grid point 3292 (848/891) ======================= q-point: ( 0.48 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.247 ( 27.192 34.657 18.126) 47.634 5.748 ( 0.033 9.565 33.255) 34.604 6.394 ( 10.526 61.623 -11.799) 63.620 7.681 ( 12.361 20.469 -4.940) 24.416 8.471 ( 11.742 37.290 -2.984) 39.209 12.410 ( 3.010 0.207 -0.880) 3.143 13.368 ( 1.089 26.253 1.121) 26.300 13.619 ( 0.833 -16.326 6.480) 17.585 14.478 ( 8.754 10.238 1.267) 13.530 16.212 ( 3.753 11.580 -17.463) 21.287 21.207 ( 2.479 2.086 6.440) 7.209 23.518 ( -18.046 -34.857 -8.217) 40.102 ======================= Grid point 3293 (849/891) ======================= q-point: ( 0.52 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.170 ( 32.472 34.447 8.793) 48.149 5.953 ( 6.857 10.179 21.448) 24.712 7.071 ( 13.035 35.727 -8.747) 39.024 8.347 ( 23.432 52.140 -0.001) 57.164 9.105 ( 24.358 32.190 -4.311) 40.597 12.463 ( 1.699 1.759 -0.707) 2.546 13.431 ( -13.712 6.748 9.237) 17.858 13.709 ( 19.916 -2.733 -4.746) 20.655 14.773 ( 10.428 14.186 -1.418) 17.664 16.347 ( 5.811 8.359 -10.490) 14.618 21.286 ( 4.294 -3.819 10.967) 12.381 22.719 ( -31.603 -33.263 -11.427) 47.284 ======================= Grid point 3294 (850/891) ======================= q-point: ( 0.57 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.936 ( 20.932 21.408 3.694) 30.168 6.460 ( 22.302 34.823 6.703) 41.892 7.539 ( 17.439 15.340 -2.572) 23.368 9.290 ( 15.999 59.541 3.569) 61.756 9.935 ( 42.080 26.915 -6.581) 50.383 12.481 ( -0.967 1.029 -0.405) 1.469 13.289 ( -14.371 10.114 4.091) 18.042 14.039 ( 24.946 -6.226 -2.540) 25.836 15.073 ( 9.346 13.976 -3.422) 17.158 16.489 ( 5.459 6.084 -6.572) 10.488 21.345 ( 5.246 -12.528 20.653) 24.718 21.759 ( -39.745 -25.969 -17.486) 50.595 ======================= Grid point 3295 (851/891) ======================= q-point: ( 0.62 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.459 ( 20.437 17.354 0.197) 26.811 7.261 ( 20.357 46.759 -8.487) 51.699 8.008 ( 22.827 11.324 6.783) 26.369 10.027 ( 11.495 43.143 2.520) 44.719 10.911 ( 40.338 22.464 -6.515) 46.628 12.475 ( 0.256 2.010 0.600) 2.113 13.193 ( -12.974 17.446 0.816) 21.757 14.406 ( 26.585 -8.065 -0.273) 27.782 15.351 ( 11.177 10.746 -3.521) 15.899 16.597 ( 3.186 5.380 -6.201) 8.806 20.749 ( -40.300 -25.831 -9.083) 48.722 21.381 ( 2.883 -11.450 16.261) 20.096 ======================= Grid point 3296 (852/891) ======================= q-point: ( 0.67 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.996 ( 23.009 17.635 -4.455) 29.330 7.929 ( 12.436 39.583 -14.467) 43.940 8.616 ( 25.335 22.347 11.776) 35.776 10.577 ( 11.231 29.238 1.099) 31.340 11.500 ( 14.175 4.317 -6.854) 16.326 12.587 ( 3.673 9.757 1.353) 10.513 13.242 ( -2.297 21.799 0.503) 21.925 14.757 ( 22.429 -7.553 1.309) 23.703 15.666 ( 17.865 6.531 -4.575) 19.563 16.672 ( 1.611 7.772 -6.237) 10.094 19.850 ( -35.682 -16.138 -10.851) 40.637 21.333 ( 0.526 -18.071 21.784) 28.309 ======================= Grid point 3313 (853/891) ======================= q-point: ( 0.48 0.48 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.456 ( -0.000 41.042 20.887) 46.051 5.866 ( -0.000 -0.129 24.613) 24.613 7.032 ( 0.000 80.145 -13.020) 81.196 7.666 ( 0.000 13.853 -6.634) 15.359 8.802 ( -0.000 45.613 0.748) 45.619 12.367 ( 0.000 -0.534 -0.466) 0.709 13.344 ( 0.000 -11.255 -2.077) 11.445 13.820 ( -0.000 26.870 11.834) 29.361 14.485 ( -0.000 9.399 1.793) 9.569 16.237 ( 0.000 10.034 -12.644) 16.142 21.203 ( -0.000 -4.014 8.628) 9.516 23.285 ( 0.000 -35.335 -14.335) 38.132 ======================= Grid point 3314 (854/891) ======================= q-point: ( 0.52 0.48 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.123 ( 20.168 41.376 16.767) 48.988 5.989 ( 4.639 6.390 16.910) 18.663 7.448 ( -12.363 41.105 -10.735) 44.245 8.281 ( 34.329 47.131 -7.437) 58.780 9.303 ( 3.226 48.075 2.233) 48.234 12.409 ( 4.499 0.147 -0.081) 4.502 13.268 ( 7.618 -15.603 0.366) 17.367 13.986 ( -14.687 27.124 7.075) 31.646 14.718 ( 11.472 13.434 1.023) 17.695 16.320 ( 3.233 7.669 -6.625) 10.637 21.184 ( 3.034 -13.032 14.335) 19.609 22.756 ( -16.155 -30.844 -20.682) 40.498 ======================= Grid point 3315 (855/891) ======================= q-point: ( 0.57 0.48 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.885 ( 16.517 29.441 7.884) 34.666 6.391 ( 23.463 26.192 13.601) 37.703 7.617 ( -2.088 28.137 -9.219) 29.682 9.386 ( 40.892 46.442 -6.495) 62.219 9.843 ( 3.497 47.397 2.849) 47.612 12.476 ( 2.158 -0.215 0.092) 2.170 13.326 ( 14.227 -10.239 1.107) 17.563 13.980 ( -13.607 20.512 2.622) 24.754 15.044 ( 9.362 14.105 -0.628) 16.941 16.444 ( 4.912 5.900 -2.309) 8.017 21.138 ( 5.515 -25.893 24.051) 35.767 22.038 ( -27.714 -19.449 -27.816) 43.818 ======================= Grid point 3316 (856/891) ======================= q-point: ( 0.62 0.48 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.364 ( 13.549 21.443 2.327) 25.472 7.291 ( 31.459 43.321 6.181) 53.894 7.882 ( 7.351 22.195 -5.085) 23.927 10.335 ( 11.315 31.902 0.411) 33.852 10.475 ( 31.557 42.444 -2.803) 52.964 12.486 ( 0.249 0.709 0.296) 0.807 13.518 ( 5.652 9.356 0.921) 10.970 14.005 ( 3.464 5.412 0.033) 6.425 15.297 ( 6.751 10.629 -1.059) 12.636 16.574 ( 4.323 5.509 -1.464) 7.154 20.900 ( -10.251 -41.654 18.959) 46.899 21.400 ( -17.405 -2.444 -18.834) 25.761 ======================= Grid point 3317 (857/891) ======================= q-point: ( 0.67 0.48 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.837 ( 16.993 21.649 -1.504) 27.563 8.124 ( 7.867 43.915 -14.654) 46.960 8.391 ( 32.395 24.447 13.684) 42.829 10.770 ( 4.358 30.681 1.311) 31.017 11.236 ( 22.529 13.509 -3.351) 26.481 12.576 ( 6.397 8.424 1.253) 10.651 13.636 ( -11.637 27.135 -1.706) 29.575 14.261 ( 25.645 -6.825 1.586) 26.585 15.491 ( 7.999 5.508 -1.787) 9.875 16.692 ( 3.217 7.246 -2.084) 8.197 20.198 ( -28.990 -24.515 -7.398) 38.680 21.197 ( -0.675 -16.715 11.191) 20.127 ======================= Grid point 3335 (858/891) ======================= q-point: ( 0.52 0.52 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.437 ( -0.000 44.601 18.775) 48.392 6.071 ( -0.000 10.259 11.447) 15.371 7.917 ( 0.000 16.082 -6.869) 17.488 8.401 ( 0.000 65.531 -11.963) 66.614 9.806 ( -0.000 54.280 3.885) 54.419 12.364 ( -0.000 0.074 0.613) 0.618 13.063 ( 0.000 -13.973 0.801) 13.996 14.487 ( -0.000 31.356 7.783) 32.308 14.693 ( -0.000 10.729 0.830) 10.761 16.344 ( 0.000 5.867 -1.835) 6.148 21.026 ( -0.000 -24.868 18.797) 31.173 22.536 ( 0.000 -23.936 -28.639) 37.325 ======================= Grid point 3336 (859/891) ======================= q-point: ( 0.57 0.52 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.027 ( 8.339 36.911 12.915) 39.985 6.343 ( 14.521 23.352 11.430) 29.779 7.963 ( -7.985 23.484 -8.736) 26.298 9.206 ( 26.090 47.291 -8.555) 54.684 10.355 ( -0.222 53.934 3.977) 54.081 12.414 ( 4.360 0.141 0.735) 4.423 13.007 ( 8.335 -10.247 0.717) 13.228 14.515 ( -18.720 22.083 3.394) 29.148 15.030 ( 10.770 17.775 2.149) 20.894 16.424 ( 3.279 4.385 2.321) 5.947 20.827 ( 3.685 -36.620 23.290) 43.555 22.123 ( -13.491 -13.881 -33.046) 38.298 ======================= Grid point 3337 (860/891) ======================= q-point: ( 0.62 0.52 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.436 ( 6.303 25.296 4.611) 26.474 7.145 ( 32.190 37.328 14.054) 51.255 8.098 ( -2.103 28.268 -10.468) 30.217 10.062 ( 30.645 30.446 -4.644) 43.446 10.860 ( -0.355 46.019 3.558) 46.158 12.479 ( 2.219 1.959 -0.302) 2.975 13.193 ( 21.044 -3.256 1.035) 21.320 14.401 ( -19.649 20.267 0.678) 28.236 15.324 ( 4.518 14.520 1.750) 15.307 16.549 ( 4.825 4.443 3.433) 7.403 20.575 ( 3.282 -43.834 21.975) 49.144 21.628 ( -19.724 -5.381 -29.102) 35.566 ======================= Grid point 3357 (861/891) ======================= q-point: ( 0.57 0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.431 ( -0.000 43.645 16.990) 46.835 6.442 ( -0.000 21.385 6.329) 22.302 8.198 ( 0.000 17.464 -7.842) 19.144 9.437 ( 0.000 47.880 -7.785) 48.509 10.882 ( -0.000 48.145 4.345) 48.341 12.374 ( -0.000 -0.000 1.739) 1.739 12.865 ( 0.000 -4.422 -0.565) 4.458 14.911 ( -0.000 11.272 -0.410) 11.279 15.126 ( -0.000 29.194 5.708) 29.747 16.442 ( -0.000 2.412 6.642) 7.066 20.474 ( -0.000 -42.948 21.101) 47.851 22.008 ( 0.000 -9.360 -34.015) 35.280 ======================= Grid point 3358 (862/891) ======================= q-point: (-0.38 -0.43 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.669 ( -0.426 27.637 6.069) 28.298 7.105 ( 20.600 38.329 15.046) 46.042 8.341 ( -0.293 22.160 -9.479) 24.103 9.983 ( 14.975 36.743 -4.445) 39.925 11.292 ( -1.619 33.174 5.458) 33.659 12.434 ( 5.397 1.599 1.007) 5.718 12.931 ( 8.643 4.572 -1.499) 9.892 14.885 ( -14.143 15.124 -0.407) 20.710 15.456 ( 2.242 23.220 4.176) 23.699 16.524 ( 4.018 2.227 8.380) 9.557 20.142 ( 3.578 -43.759 17.443) 47.243 21.726 ( -10.388 -7.007 -30.377) 32.859 ======================= Grid point 3379 (863/891) ======================= q-point: (-0.38 -0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.986 ( -0.000 29.149 6.539) 29.874 7.345 ( -0.000 37.486 14.994) 40.373 8.502 ( 0.000 19.794 -9.222) 21.837 10.215 ( -0.000 35.724 -3.137) 35.861 11.570 ( -0.000 15.395 7.911) 17.308 12.378 ( -0.000 -1.331 2.591) 2.913 12.968 ( 0.000 17.186 -5.031) 17.907 15.128 ( 0.000 11.352 -1.437) 11.442 15.720 ( -0.000 27.303 5.071) 27.770 16.532 ( -0.000 1.332 11.530) 11.607 19.745 ( -0.000 -39.924 12.326) 41.784 21.638 ( 0.000 -8.431 -28.522) 29.742 ======================= Grid point 3711 (864/891) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 891 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( -0.000 0.000 20.653) 20.653 3.006 ( -0.000 0.000 20.653) 20.653 6.023 ( -0.000 0.000 43.406) 43.406 7.271 ( 0.000 -0.000 -7.469) 7.469 7.271 ( 0.000 -0.000 -7.469) 7.469 12.413 ( 0.000 -0.000 -0.944) 0.944 12.413 ( 0.000 -0.000 -0.944) 0.944 14.184 ( -0.000 0.000 0.985) 0.985 14.184 ( -0.000 0.000 0.985) 0.985 15.743 ( 0.000 -0.000 -28.713) 28.713 20.886 ( -0.000 0.000 9.773) 9.773 24.785 ( 0.000 -0.000 -0.957) 0.957 ======================= Grid point 3712 (865/891) ======================= q-point: ( 0.43 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.444 ( 24.288 14.023 10.325) 29.885 3.555 ( 45.167 26.077 22.198) 56.681 6.074 ( -5.906 -3.410 34.455) 35.124 7.274 ( 3.163 1.826 -6.153) 7.155 7.487 ( 19.653 11.346 -6.707) 23.663 12.403 ( -0.400 -0.231 -0.911) 1.022 12.584 ( 13.908 8.030 0.635) 16.072 14.092 ( -5.340 -3.083 1.431) 6.329 14.241 ( 3.853 2.224 0.347) 4.462 15.797 ( 11.044 6.376 -25.628) 28.626 20.978 ( 5.037 2.908 7.197) 9.253 24.559 ( -19.421 -11.213 -0.747) 22.438 ======================= Grid point 3713 (866/891) ======================= q-point: ( 0.48 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.126 ( 33.450 19.312 0.271) 38.626 4.873 ( 56.085 32.381 25.469) 69.590 6.098 ( 4.925 2.844 18.014) 18.890 7.370 ( 6.742 3.893 -3.788) 8.658 8.074 ( 33.161 19.146 -6.462) 38.833 12.392 ( -0.207 -0.119 -1.211) 1.235 12.946 ( 13.933 8.044 5.807) 17.104 14.036 ( 2.544 1.469 -4.599) 5.457 14.356 ( 6.059 3.498 0.053) 6.997 16.006 ( 13.284 7.669 -19.697) 24.965 21.137 ( 6.750 3.897 4.700) 9.102 23.928 ( -35.256 -20.355 -0.010) 40.710 ======================= Grid point 3714 (867/891) ======================= q-point: ( 0.52 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.929 ( 37.899 21.881 -7.632) 44.423 5.738 ( 12.022 6.941 26.263) 29.706 6.860 ( 58.030 33.504 4.358) 67.149 7.551 ( 9.710 5.606 -0.408) 11.220 8.911 ( 41.971 24.232 -6.592) 48.910 12.388 ( 0.304 0.176 -1.705) 1.741 13.120 ( -1.643 -0.949 9.503) 9.691 14.244 ( 18.121 10.462 -12.546) 24.397 14.511 ( 7.553 4.361 0.145) 8.723 16.238 ( 11.566 6.678 -12.995) 18.635 21.298 ( 5.825 3.363 3.190) 7.445 23.009 ( -44.897 -25.921 2.555) 51.906 ======================= Grid point 3715 (868/891) ======================= q-point: ( 0.57 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.772 ( 39.128 22.591 -13.027) 47.022 6.051 ( 13.497 7.793 12.067) 19.711 7.804 ( 12.085 6.977 3.590) 14.409 8.232 ( 56.430 32.580 6.124) 65.447 9.909 ( 47.382 27.356 -6.533) 55.101 12.393 ( 0.609 0.351 -2.193) 2.303 13.003 ( -8.890 -5.133 5.704) 11.744 14.691 ( 23.296 13.450 -11.463) 29.240 14.696 ( 8.625 4.980 0.532) 9.973 16.425 ( 7.978 4.606 -9.554) 13.272 21.361 ( -4.116 -2.376 -10.423) 11.456 22.007 ( -41.105 -23.732 19.332) 51.250 ======================= Grid point 3716 (869/891) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.465 ( 20.864 12.046 1.485) 24.138 6.597 ( 37.536 21.671 -15.726) 46.107 8.121 ( 14.227 8.214 7.338) 17.992 9.375 ( 42.589 24.589 4.771) 49.408 10.938 ( 42.064 24.286 -6.732) 49.036 12.396 ( 0.197 0.113 -2.511) 2.522 12.843 ( -4.203 -2.426 3.504) 5.986 14.904 ( 9.433 5.446 1.032) 10.941 15.192 ( 23.738 13.705 -7.261) 28.356 16.527 ( 3.708 2.141 -9.979) 10.859 20.682 ( -40.764 -23.535 -19.310) 50.877 21.671 ( -5.906 -3.410 31.817) 32.540 ======================= Grid point 3733 (870/891) ======================= q-point: ( 0.43 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.198 ( -0.000 14.398 21.262) 25.678 3.885 ( -0.000 62.994 8.257) 63.532 6.167 ( -0.000 -10.049 29.271) 30.947 7.291 ( 0.000 5.783 -6.390) 8.618 7.435 ( 0.000 21.153 -4.319) 21.590 12.401 ( 0.000 -0.643 -0.860) 1.074 12.594 ( -0.000 18.357 0.282) 18.359 14.076 ( -0.000 -11.783 1.818) 11.922 14.215 ( -0.000 3.304 1.493) 3.626 15.731 ( 0.000 14.575 -22.603) 26.894 21.004 ( -0.000 5.908 5.977) 8.404 24.568 ( 0.000 -20.713 -1.217) 20.749 ======================= Grid point 3734 (871/891) ======================= q-point: ( 0.48 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.745 ( 29.765 20.976 13.454) 38.820 4.778 ( 23.132 69.229 9.339) 73.586 6.120 ( -1.545 -8.445 18.158) 20.085 7.369 ( 3.118 10.768 -4.293) 12.004 7.825 ( 17.894 26.542 -3.870) 32.243 12.401 ( 0.413 0.362 -0.793) 0.965 12.891 ( 9.108 21.272 2.262) 23.250 13.934 ( -0.699 -12.956 0.696) 12.994 14.319 ( 5.338 6.201 0.849) 8.226 15.879 ( 6.973 14.822 -17.573) 24.024 21.116 ( 3.460 6.502 4.021) 8.391 24.153 ( -18.906 -28.643 -1.465) 34.352 ======================= Grid point 3735 (872/891) ======================= q-point: ( 0.52 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.559 ( 32.972 28.341 0.280) 43.480 5.782 ( 10.330 25.754 25.376) 37.602 6.335 ( 33.722 25.243 -3.638) 42.280 7.602 ( 6.787 23.317 -0.613) 24.292 8.501 ( 31.386 27.452 -4.663) 41.958 12.412 ( -0.563 2.585 -0.998) 2.828 13.212 ( 1.189 13.397 8.531) 15.927 13.882 ( 13.268 -10.519 -7.850) 18.663 14.509 ( 6.471 11.581 -0.853) 13.294 16.106 ( 9.284 11.635 -10.972) 18.492 21.260 ( 4.773 5.348 3.136) 7.824 23.393 ( -32.919 -33.490 -0.236) 46.961 ======================= Grid point 3736 (873/891) ======================= q-point: ( 0.57 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.393 ( 31.652 31.136 -8.371) 45.182 6.037 ( 5.530 11.824 10.987) 17.062 7.309 ( 39.589 10.388 2.830) 41.026 8.167 ( 18.891 52.643 4.066) 56.077 9.381 ( 42.308 27.145 -5.604) 50.579 12.422 ( -1.465 3.747 -1.314) 4.232 13.188 ( -12.409 2.287 6.948) 14.405 14.157 ( 27.749 -6.000 -8.239) 29.562 14.756 ( 7.112 16.493 -2.942) 18.200 16.324 ( 7.802 8.041 -6.841) 13.128 21.373 ( 1.048 3.231 -1.932) 3.908 22.441 ( -37.763 -35.020 7.776) 52.085 ======================= Grid point 3737 (874/891) ======================= q-point: ( 0.62 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.131 ( 26.726 18.399 -6.682) 33.128 6.427 ( 17.071 31.057 -5.906) 35.928 7.883 ( 23.893 3.822 6.941) 25.172 9.136 ( 27.721 47.467 5.586) 55.252 10.403 ( 46.699 26.585 -5.607) 54.028 12.425 ( -1.741 3.338 -1.361) 4.003 12.998 ( -12.355 2.945 2.366) 12.920 14.548 ( 26.470 -6.716 -2.960) 27.469 15.062 ( 11.023 17.562 -4.205) 21.157 16.469 ( 4.108 5.307 -6.586) 9.403 21.067 ( -34.042 -13.885 -24.365) 44.105 21.785 ( -7.157 -19.029 33.917) 39.544 ======================= Grid point 3755 (875/891) ======================= q-point: ( 0.48 0.48 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.803 ( -0.000 31.652 19.981) 37.431 5.360 ( -0.000 80.314 -0.009) 80.314 6.090 ( -0.000 -10.146 13.198) 16.647 7.408 ( 0.000 10.143 -5.529) 11.553 7.993 ( -0.000 36.223 -0.703) 36.230 12.380 ( 0.000 -0.870 -0.506) 1.007 13.071 ( -0.000 27.001 -1.031) 27.020 13.830 ( -0.000 -13.304 6.863) 14.970 14.329 ( -0.000 6.940 1.708) 7.147 15.926 ( 0.000 16.303 -14.096) 21.552 21.165 ( -0.000 6.623 3.003) 7.272 23.987 ( 0.000 -35.725 -3.950) 35.942 ======================= Grid point 3756 (876/891) ======================= q-point: ( 0.52 0.48 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.411 ( 22.035 35.783 14.035) 44.305 6.022 ( -1.877 0.353 19.077) 19.173 6.259 ( 13.842 66.137 -12.822) 68.776 7.636 ( 14.334 20.119 -3.877) 25.005 8.456 ( 10.217 38.647 -0.083) 39.975 12.404 ( 2.909 0.352 -0.244) 2.940 13.352 ( 7.253 18.397 -4.039) 20.183 13.697 ( -7.255 -6.910 8.896) 13.399 14.490 ( 7.814 10.259 1.054) 12.939 16.081 ( 4.709 13.736 -8.367) 16.759 21.257 ( 2.826 4.589 3.442) 6.394 23.448 ( -16.891 -39.764 -5.660) 43.572 ======================= Grid point 3757 (877/891) ======================= q-point: ( 0.57 0.48 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.233 ( 26.047 37.200 3.320) 45.534 6.102 ( 4.777 8.230 7.730) 12.260 7.007 ( 16.856 33.690 -3.497) 37.834 8.344 ( 27.092 50.784 -0.321) 57.560 9.077 ( 21.408 33.693 -1.331) 39.941 12.458 ( 1.435 2.071 -0.261) 2.534 13.513 ( -12.823 -0.127 6.036) 14.173 13.657 ( 17.069 5.192 -4.535) 18.409 14.762 ( 8.931 14.209 -0.562) 16.792 16.276 ( 6.156 10.067 -3.497) 12.308 21.364 ( 3.783 2.121 4.105) 5.971 22.638 ( -28.270 -41.046 -4.265) 50.022 ======================= Grid point 3758 (878/891) ======================= q-point: ( 0.62 0.48 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.940 ( 19.193 24.989 -2.795) 31.633 6.477 ( 15.055 34.078 -3.377) 37.408 7.548 ( 22.266 13.099 4.137) 26.162 9.330 ( 17.298 58.987 4.568) 61.641 9.880 ( 41.065 26.744 -4.543) 49.216 12.478 ( -1.097 1.583 -0.289) 1.948 13.321 ( -15.490 8.436 2.027) 17.754 14.010 ( 25.061 -3.890 -3.054) 25.544 15.048 ( 8.378 14.415 -1.422) 16.734 16.444 ( 4.397 7.154 -2.235) 8.690 21.360 ( -14.824 -0.401 -17.351) 22.825 21.779 ( -16.470 -39.695 20.952) 47.811 ======================= Grid point 3777 (879/891) ======================= q-point: ( 0.52 0.52 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.655 ( -0.000 40.891 18.380) 44.831 6.018 ( -0.000 -1.635 4.366) 4.663 6.924 ( -0.000 79.165 -7.278) 79.498 7.606 ( 0.000 13.383 -5.262) 14.380 8.819 ( -0.000 46.907 2.647) 46.982 12.367 ( -0.000 -0.300 0.339) 0.453 13.296 ( 0.000 -5.900 -6.865) 9.052 13.956 ( -0.000 22.400 14.547) 26.709 14.500 ( -0.000 9.206 1.224) 9.287 16.151 ( 0.000 12.612 -4.300) 13.325 21.274 ( -0.000 0.763 5.294) 5.349 23.155 ( 0.000 -42.432 -11.359) 43.926 ======================= Grid point 3778 (880/891) ======================= q-point: ( 0.57 0.52 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.279 ( 16.215 41.703 13.819) 46.830 6.085 ( 5.477 6.849 2.049) 9.006 7.358 ( -12.084 41.094 -6.961) 43.396 8.215 ( 35.522 44.594 -5.555) 57.283 9.334 ( 2.666 49.372 3.820) 49.592 12.412 ( 4.305 0.371 0.656) 4.371 13.246 ( 7.881 -12.515 -4.306) 15.403 14.068 ( -16.786 24.097 8.848) 30.672 14.732 ( 10.841 13.595 1.783) 17.480 16.288 ( 3.392 9.926 0.207) 10.492 21.309 ( 3.655 -5.141 9.978) 11.804 22.566 ( -14.840 -40.683 -16.305) 46.273 ======================= Grid point 3799 (881/891) ======================= q-point: (-0.43 -0.43 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.619 ( -0.000 44.397 16.946) 47.521 6.121 ( 0.000 11.742 -1.420) 11.828 7.852 ( 0.000 15.300 -5.815) 16.368 8.301 ( 0.000 65.248 -7.963) 65.733 9.851 ( -0.000 54.521 5.046) 54.754 12.374 ( -0.000 0.378 1.472) 1.520 13.050 ( 0.000 -12.146 -3.210) 12.563 14.580 ( -0.000 29.002 10.335) 30.788 14.698 ( -0.000 10.338 0.160) 10.340 16.356 ( -0.000 8.215 4.128) 9.194 21.211 ( -0.000 -17.783 17.445) 24.911 22.252 ( 0.000 -32.729 -27.203) 42.558 ======================= Grid point 4176 (882/891) ======================= q-point: ( 0.43 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 891 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.176 ( -0.000 0.000 13.028) 13.028 3.176 ( -0.000 0.000 13.028) 13.028 6.384 ( -0.000 0.000 27.684) 27.684 7.207 ( 0.000 -0.000 -5.058) 5.058 7.207 ( 0.000 -0.000 -5.058) 5.058 12.405 ( 0.000 -0.000 -0.592) 0.592 12.405 ( 0.000 -0.000 -0.592) 0.592 14.193 ( -0.000 0.000 0.621) 0.621 14.193 ( -0.000 0.000 0.621) 0.621 15.501 ( 0.000 -0.000 -18.810) 18.810 20.965 ( -0.000 0.000 5.898) 5.898 24.777 ( 0.000 -0.000 -0.618) 0.618 ======================= Grid point 4177 (883/891) ======================= q-point: ( 0.48 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.507 ( 20.706 11.954 2.078) 23.999 3.751 ( 46.587 26.897 16.287) 56.205 6.343 ( -8.854 -5.112 18.536) 21.168 7.227 ( 3.657 2.111 -2.994) 5.177 7.433 ( 19.631 11.334 -3.844) 22.992 12.396 ( -0.505 -0.291 -0.515) 0.778 12.590 ( 15.210 8.781 0.644) 17.575 14.099 ( -6.234 -3.599 0.140) 7.200 14.242 ( 3.677 2.123 -0.172) 4.249 15.593 ( 11.591 6.692 -14.356) 19.628 21.035 ( 4.371 2.523 4.009) 6.445 24.554 ( -19.236 -11.106 -0.310) 22.214 ======================= Grid point 4178 (884/891) ======================= q-point: ( 0.52 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.090 ( 30.736 17.746 -7.461) 36.267 5.109 ( 61.257 35.367 21.023) 73.792 6.212 ( -2.557 -1.476 4.660) 5.517 7.350 ( 7.561 4.366 -0.249) 8.735 8.023 ( 32.633 18.841 -3.733) 37.866 12.382 ( -0.446 -0.258 -0.704) 0.873 13.003 ( 17.127 9.888 5.252) 20.462 13.975 ( -1.848 -1.067 -6.994) 7.312 14.353 ( 6.090 3.516 -0.599) 7.058 15.864 ( 14.497 8.370 -8.371) 18.716 21.172 ( 6.383 3.685 2.289) 7.718 23.934 ( -34.534 -19.938 1.287) 39.897 ======================= Grid point 4179 (885/891) ======================= q-point: ( 0.57 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.820 ( 36.253 20.930 -13.857) 44.095 5.955 ( 4.746 2.740 15.496) 16.437 6.885 ( 62.686 36.192 1.755) 72.405 7.564 ( 10.795 6.232 2.877) 12.792 8.855 ( 41.436 23.923 -4.487) 48.056 12.374 ( 0.002 0.001 -1.077) 1.077 13.214 ( -2.720 -1.570 8.972) 9.506 14.105 ( 17.951 10.364 -14.649) 25.382 14.509 ( 7.773 4.487 -0.566) 8.993 16.151 ( 11.971 6.912 -4.316) 14.481 21.307 ( 4.103 2.369 -1.259) 4.903 23.060 ( -41.916 -24.200 7.357) 48.956 ======================= Grid point 4198 (886/891) ======================= q-point: ( 0.48 0.48 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.379 ( -0.000 16.736 14.433) 22.100 3.925 ( -0.000 59.869 -0.352) 59.870 6.386 ( -0.000 -12.442 13.911) 18.663 7.238 ( 0.000 5.469 -3.876) 6.703 7.408 ( -0.000 22.051 -1.165) 22.082 12.395 ( 0.000 -0.686 -0.398) 0.793 12.597 ( -0.000 18.815 0.090) 18.815 14.090 ( -0.000 -10.268 0.961) 10.313 14.229 ( -0.000 3.650 1.124) 3.820 15.560 ( 0.000 14.521 -11.086) 18.269 21.048 ( -0.000 5.112 2.714) 5.788 24.558 ( 0.000 -21.367 -0.727) 21.379 ======================= Grid point 4199 (887/891) ======================= q-point: ( 0.52 0.48 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.839 ( 20.824 25.033 4.854) 32.922 4.838 ( 31.693 65.921 2.897) 73.202 6.244 ( -4.895 -11.076 6.167) 13.589 7.339 ( 4.743 10.186 -1.560) 11.344 7.801 ( 16.578 27.273 -1.117) 31.936 12.395 ( 0.290 0.372 -0.271) 0.544 12.908 ( 11.201 21.354 0.918) 24.131 13.937 ( -4.233 -11.450 -0.021) 12.207 14.325 ( 4.442 6.645 0.289) 7.998 15.759 ( 8.149 15.159 -6.008) 18.229 21.143 ( 3.463 6.177 1.375) 7.214 24.143 ( -18.004 -29.820 -0.498) 34.838 ======================= Grid point 4200 (888/891) ======================= q-point: ( 0.57 0.48 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.522 ( 25.651 32.737 -7.569) 42.273 6.007 ( 7.174 17.796 18.298) 26.514 6.262 ( 40.264 27.874 -9.954) 49.973 7.607 ( 8.614 23.308 1.710) 24.907 8.467 ( 29.981 27.741 -2.188) 40.905 12.405 ( -0.883 2.646 -0.404) 2.818 13.293 ( 5.104 14.550 7.333) 17.074 13.792 ( 7.182 -10.077 -9.586) 15.654 14.500 ( 5.611 11.487 -0.958) 12.820 16.045 ( 9.923 11.897 -1.237) 15.541 21.275 ( 4.033 5.523 -0.158) 6.840 23.405 ( -30.032 -34.724 2.784) 45.994 ======================= Grid point 4220 (889/891) ======================= q-point: ( 0.52 0.52 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.979 ( -0.000 33.042 14.457) 36.066 5.286 ( 0.000 77.545 -13.364) 78.688 6.197 ( -0.000 -9.826 6.949) 12.035 7.364 ( 0.000 9.585 -3.036) 10.054 7.997 ( -0.000 36.970 1.481) 36.999 12.378 ( -0.000 -0.732 0.122) 0.742 13.048 ( 0.000 23.681 -3.473) 23.934 13.901 ( -0.000 -7.852 7.382) 10.778 14.344 ( -0.000 7.013 1.197) 7.114 15.838 ( 0.000 17.105 -3.156) 17.394 21.182 ( -0.000 6.988 0.353) 6.997 23.954 ( 0.000 -38.194 -2.627) 38.284 ======================= Grid point 4641 (890/891) ======================= q-point: ( 0.48 0.48 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 891 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.265 ( -0.000 0.000 4.463) 4.463 3.265 ( -0.000 0.000 4.463) 4.463 6.573 ( -0.000 0.000 9.545) 9.545 7.172 ( 0.000 -0.000 -1.797) 1.797 7.172 ( 0.000 -0.000 -1.797) 1.797 12.401 ( 0.000 -0.000 -0.202) 0.202 12.401 ( 0.000 -0.000 -0.202) 0.202 14.197 ( -0.000 0.000 0.212) 0.212 14.197 ( -0.000 0.000 0.212) 0.212 15.371 ( 0.000 -0.000 -6.577) 6.577 21.004 ( -0.000 0.000 1.972) 1.972 24.772 ( 0.000 -0.000 -0.214) 0.214 ======================= Grid point 4642 (891/891) ======================= q-point: ( 0.52 0.48 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.485 ( 17.341 10.012 -6.442) 21.034 3.878 ( 48.993 28.286 8.820) 57.255 6.446 ( -10.690 -6.172 2.021) 12.508 7.215 ( 4.240 2.448 0.576) 4.930 7.408 ( 19.526 11.274 -1.221) 22.580 12.393 ( -0.573 -0.331 -0.070) 0.666 12.595 ( 16.080 9.284 0.326) 18.570 14.097 ( -7.565 -4.368 -0.536) 8.752 14.238 ( 3.440 1.986 -0.673) 4.029 15.512 ( 12.214 7.052 -1.657) 14.200 21.058 ( 4.184 2.416 0.659) 4.876 24.553 ( -18.934 -10.932 0.199) 21.864 =================== 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 3/111132 10.0 2063.918 2063.918 6646.039 0.000 -0.000 0.000 3/111132 20.0 3800.720 3800.720 4383.599 0.000 -0.000 0.000 3/111132 30.0 2396.644 2396.644 2271.763 0.000 -0.000 0.000 3/111132 40.0 1448.398 1448.398 1127.129 0.000 -0.000 0.000 3/111132 50.0 864.121 864.121 577.680 0.000 -0.000 0.000 3/111132 60.0 533.736 533.736 319.219 0.000 -0.000 0.000 3/111132 70.0 352.249 352.249 192.806 0.000 -0.000 0.000 3/111132 80.0 249.232 249.232 126.439 0.000 -0.000 0.000 3/111132 90.0 187.407 187.407 88.905 0.000 -0.000 0.000 3/111132 100.0 148.107 148.107 66.195 0.000 -0.000 0.000 3/111132 110.0 121.778 121.778 51.633 0.000 -0.000 0.000 3/111132 120.0 103.306 103.306 41.822 0.000 -0.000 0.000 3/111132 130.0 89.814 89.814 34.931 0.000 -0.000 0.000 3/111132 140.0 79.614 79.614 29.915 0.000 -0.000 0.000 3/111132 150.0 71.669 71.669 26.151 0.000 -0.000 0.000 3/111132 160.0 65.321 65.321 23.252 0.000 -0.000 0.000 3/111132 170.0 60.137 60.137 20.965 0.000 -0.000 0.000 3/111132 180.0 55.823 55.823 19.126 0.000 -0.000 0.000 3/111132 190.0 52.172 52.172 17.618 0.000 -0.000 0.000 3/111132 200.0 49.040 49.040 16.363 0.000 -0.000 0.000 3/111132 210.0 46.318 46.318 15.302 0.000 -0.000 0.000 3/111132 220.0 43.928 43.928 14.393 0.000 -0.000 0.000 3/111132 230.0 41.809 41.809 13.606 0.000 -0.000 0.000 3/111132 240.0 39.913 39.913 12.917 0.000 -0.000 0.000 3/111132 250.0 38.206 38.206 12.309 0.000 -0.000 0.000 3/111132 260.0 36.658 36.658 11.766 0.000 -0.000 0.000 3/111132 270.0 35.247 35.247 11.278 0.000 -0.000 0.000 3/111132 280.0 33.952 33.952 10.837 0.000 -0.000 0.000 3/111132 290.0 32.760 32.760 10.435 0.000 -0.000 0.000 3/111132 300.0 31.657 31.657 10.067 0.000 -0.000 0.000 3/111132 310.0 30.633 30.633 9.729 0.000 -0.000 0.000 3/111132 320.0 29.679 29.679 9.416 0.000 -0.000 0.000 3/111132 330.0 28.788 28.788 9.126 0.000 -0.000 0.000 3/111132 340.0 27.952 27.952 8.855 0.000 -0.000 0.000 3/111132 350.0 27.167 27.167 8.602 0.000 -0.000 0.000 3/111132 360.0 26.428 26.428 8.365 0.000 -0.000 0.000 3/111132 370.0 25.730 25.730 8.142 0.000 -0.000 0.000 3/111132 380.0 25.070 25.070 7.932 0.000 -0.000 0.000 3/111132 390.0 24.444 24.444 7.733 0.000 -0.000 0.000 3/111132 400.0 23.851 23.851 7.545 0.000 -0.000 0.000 3/111132 410.0 23.287 23.287 7.367 0.000 -0.000 0.000 3/111132 420.0 22.749 22.749 7.197 0.000 -0.000 0.000 3/111132 430.0 22.237 22.237 7.036 0.000 -0.000 0.000 3/111132 440.0 21.749 21.749 6.882 0.000 -0.000 0.000 3/111132 450.0 21.282 21.282 6.735 0.000 -0.000 0.000 3/111132 460.0 20.835 20.835 6.594 0.000 -0.000 0.000 3/111132 470.0 20.406 20.406 6.460 0.000 -0.000 0.000 3/111132 480.0 19.996 19.996 6.331 0.000 -0.000 0.000 3/111132 490.0 19.602 19.602 6.207 0.000 -0.000 0.000 3/111132 500.0 19.224 19.224 6.088 0.000 -0.000 0.000 3/111132 510.0 18.860 18.860 5.974 0.000 -0.000 0.000 3/111132 520.0 18.509 18.509 5.864 0.000 -0.000 0.000 3/111132 530.0 18.172 18.172 5.759 0.000 -0.000 0.000 3/111132 540.0 17.847 17.847 5.657 0.000 -0.000 0.000 3/111132 550.0 17.534 17.534 5.558 0.000 -0.000 0.000 3/111132 560.0 17.231 17.231 5.463 0.000 -0.000 0.000 3/111132 570.0 16.939 16.939 5.372 0.000 -0.000 0.000 3/111132 580.0 16.657 16.657 5.283 0.000 -0.000 0.000 3/111132 590.0 16.384 16.384 5.197 0.000 -0.000 0.000 3/111132 600.0 16.120 16.120 5.114 0.000 -0.000 0.000 3/111132 610.0 15.864 15.864 5.034 0.000 -0.000 0.000 3/111132 620.0 15.617 15.617 4.956 0.000 -0.000 0.000 3/111132 630.0 15.377 15.377 4.881 0.000 -0.000 0.000 3/111132 640.0 15.144 15.144 4.808 0.000 -0.000 0.000 3/111132 650.0 14.918 14.918 4.737 0.000 -0.000 0.000 3/111132 660.0 14.699 14.699 4.668 0.000 -0.000 0.000 3/111132 670.0 14.487 14.487 4.601 0.000 -0.000 0.000 3/111132 680.0 14.280 14.280 4.536 0.000 -0.000 0.000 3/111132 690.0 14.079 14.079 4.473 0.000 -0.000 0.000 3/111132 700.0 13.884 13.884 4.411 0.000 -0.000 0.000 3/111132 710.0 13.694 13.694 4.352 0.000 -0.000 0.000 3/111132 720.0 13.510 13.510 4.293 0.000 -0.000 0.000 3/111132 730.0 13.330 13.330 4.237 0.000 -0.000 0.000 3/111132 740.0 13.155 13.155 4.182 0.000 -0.000 0.000 3/111132 750.0 12.984 12.984 4.128 0.000 -0.000 0.000 3/111132 760.0 12.818 12.818 4.075 0.000 -0.000 0.000 3/111132 770.0 12.656 12.656 4.024 0.000 -0.000 0.000 3/111132 780.0 12.498 12.498 3.975 0.000 -0.000 0.000 3/111132 790.0 12.344 12.344 3.926 0.000 -0.000 0.000 3/111132 800.0 12.194 12.194 3.878 0.000 -0.000 0.000 3/111132 810.0 12.047 12.047 3.832 0.000 -0.000 0.000 3/111132 820.0 11.904 11.904 3.787 0.000 -0.000 0.000 3/111132 830.0 11.764 11.764 3.743 0.000 -0.000 0.000 3/111132 840.0 11.628 11.628 3.700 0.000 -0.000 0.000 3/111132 850.0 11.495 11.495 3.658 0.000 -0.000 0.000 3/111132 860.0 11.364 11.364 3.616 0.000 -0.000 0.000 3/111132 870.0 11.237 11.237 3.576 0.000 -0.000 0.000 3/111132 880.0 11.112 11.112 3.537 0.000 -0.000 0.000 3/111132 890.0 10.990 10.990 3.498 0.000 -0.000 0.000 3/111132 900.0 10.871 10.871 3.460 0.000 -0.000 0.000 3/111132 910.0 10.754 10.754 3.423 0.000 -0.000 0.000 3/111132 920.0 10.640 10.640 3.387 0.000 -0.000 0.000 3/111132 930.0 10.528 10.528 3.352 0.000 -0.000 0.000 3/111132 940.0 10.419 10.419 3.317 0.000 -0.000 0.000 3/111132 950.0 10.312 10.312 3.283 0.000 -0.000 0.000 3/111132 960.0 10.207 10.207 3.250 0.000 -0.000 0.000 3/111132 970.0 10.104 10.104 3.217 0.000 -0.000 0.000 3/111132 980.0 10.003 10.003 3.185 0.000 -0.000 0.000 3/111132 990.0 9.904 9.904 3.154 0.000 -0.000 0.000 3/111132 1000.0 9.807 9.807 3.123 0.000 -0.000 0.000 3/111132 Thermal conductivity related properties were written into "kappa-m212121.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:42:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|